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= 0.182 K(o=0.35,f=-1.3) USER MOD Set 1.2: A 405 THR OG1 : rot 180:sc= 0.168 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -33:sc= -1.02! USER MOD Single : A 382 ASN :FLIP amide:sc= -3.06! C(o=-7.8!,f=-3.1!) USER MOD Single : A 383 LYS NZ :NH3+ 164:sc= -0.0501 (180deg=-0.303) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -172:sc= 1.17 (180deg=0.937) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 169:sc=-0.00891 (180deg=-0.141) USER MOD Single : A 397 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.4!) USER MOD Single : A 401 ASN : amide:sc= -0.825 K(o=-0.82,f=-7.1!) USER MOD Single : A 402 LYS NZ :NH3+ 162:sc= -0.0589 (180deg=-0.413) USER MOD Single : A 403 LYS NZ :NH3+ 168:sc= -0.0257 (180deg=-0.229) 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 -3.299 5.808 -2.362 1.00 0.00 N ATOM 340 CA GLU A 376 -3.878 5.607 -3.680 1.00 0.00 C ATOM 341 C GLU A 376 -4.923 6.676 -3.974 1.00 0.00 C ATOM 342 O GLU A 376 -4.805 7.814 -3.517 1.00 0.00 O ATOM 343 CB GLU A 376 -4.492 4.206 -3.756 1.00 0.00 C ATOM 344 CG GLU A 376 -3.512 3.104 -3.394 1.00 0.00 C ATOM 345 CD GLU A 376 -2.340 3.030 -4.354 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.573 2.775 -5.555 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.192 3.233 -3.908 1.00 0.00 O ATOM 0 HA GLU A 376 -3.096 5.692 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.350 4.155 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.866 4.034 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.140 3.271 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.033 2.147 -3.387 1.00 0.00 H new ATOM 354 N THR A 377 -5.942 6.311 -4.737 1.00 0.00 N ATOM 355 CA THR A 377 -7.002 7.238 -5.094 1.00 0.00 C ATOM 356 C THR A 377 -8.339 6.520 -5.168 1.00 0.00 C ATOM 357 O THR A 377 -8.394 5.318 -5.423 1.00 0.00 O ATOM 358 CB THR A 377 -6.718 7.927 -6.440 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.661 6.955 -7.490 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.405 8.693 -6.381 1.00 0.00 C ATOM 0 H THR A 377 -6.056 5.373 -5.122 1.00 0.00 H new ATOM 0 HA THR A 377 -7.041 8.000 -4.315 1.00 0.00 H new ATOM 0 HB THR A 377 -7.527 8.629 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.482 7.404 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.221 9.174 -7.342 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.461 9.452 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.591 8.003 -6.158 1.00 0.00 H new ATOM 368 N GLU A 378 -9.414 7.262 -4.927 1.00 0.00 N ATOM 369 CA GLU A 378 -10.755 6.697 -4.953 1.00 0.00 C ATOM 370 C GLU A 378 -10.941 5.807 -6.173 1.00 0.00 C ATOM 371 O GLU A 378 -11.584 4.762 -6.103 1.00 0.00 O ATOM 372 CB GLU A 378 -11.797 7.813 -4.960 1.00 0.00 C ATOM 373 CG GLU A 378 -13.224 7.308 -4.842 1.00 0.00 C ATOM 374 CD GLU A 378 -14.243 8.431 -4.841 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.307 9.176 -5.840 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.978 8.564 -3.840 1.00 0.00 O ATOM 0 H GLU A 378 -9.381 8.258 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.888 6.090 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.592 8.496 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.698 8.387 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.435 6.632 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.326 6.729 -3.924 1.00 0.00 H new ATOM 383 N GLY A 379 -10.373 6.238 -7.290 1.00 0.00 N ATOM 384 CA GLY A 379 -10.484 5.481 -8.521 1.00 0.00 C ATOM 385 C GLY A 379 -9.806 4.129 -8.459 1.00 0.00 C ATOM 386 O GLY A 379 -10.349 3.139 -8.948 1.00 0.00 O ATOM 0 H GLY A 379 -9.835 7.101 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.538 5.340 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.049 6.060 -9.335 1.00 0.00 H new ATOM 390 N SER A 380 -8.618 4.079 -7.867 1.00 0.00 N ATOM 391 CA SER A 380 -7.883 2.822 -7.767 1.00 0.00 C ATOM 392 C SER A 380 -8.587 1.842 -6.834 1.00 0.00 C ATOM 393 O SER A 380 -8.799 0.681 -7.186 1.00 0.00 O ATOM 394 CB SER A 380 -6.458 3.074 -7.273 1.00 0.00 C ATOM 395 OG SER A 380 -6.461 3.669 -5.989 1.00 0.00 O ATOM 0 H SER A 380 -8.147 4.884 -7.453 1.00 0.00 H new ATOM 0 HA SER A 380 -7.845 2.381 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.910 2.133 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.935 3.722 -7.976 1.00 0.00 H new ATOM 0 HG SER A 380 -7.244 4.252 -5.900 1.00 0.00 H new ATOM 401 N CYS A 381 -8.937 2.317 -5.644 1.00 0.00 N ATOM 402 CA CYS A 381 -9.604 1.490 -4.642 1.00 0.00 C ATOM 403 C CYS A 381 -10.858 0.818 -5.194 1.00 0.00 C ATOM 404 O CYS A 381 -11.055 -0.384 -5.012 1.00 0.00 O ATOM 405 CB CYS A 381 -9.968 2.339 -3.426 1.00 0.00 C ATOM 406 SG CYS A 381 -8.535 3.114 -2.612 1.00 0.00 S ATOM 0 H CYS A 381 -8.769 3.278 -5.347 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.908 0.703 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.664 3.119 -3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.491 1.714 -2.702 1.00 0.00 H new ATOM 411 N ASN A 382 -11.707 1.595 -5.862 1.00 0.00 N ATOM 412 CA ASN A 382 -12.945 1.062 -6.429 1.00 0.00 C ATOM 413 C ASN A 382 -12.664 -0.148 -7.305 1.00 0.00 C ATOM 414 O ASN A 382 -13.439 -1.104 -7.335 1.00 0.00 O ATOM 415 CB ASN A 382 -13.663 2.133 -7.255 1.00 0.00 C ATOM 416 CG ASN A 382 -14.034 3.358 -6.442 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.680 3.357 -5.161 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.632 4.300 -6.961 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.562 2.592 -6.024 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.585 0.757 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.023 2.434 -8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.566 1.704 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.886 4.261 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.874 5.120 -6.404 1.00 0.00 H new ATOM 425 N LYS A 383 -11.555 -0.090 -8.027 1.00 0.00 N ATOM 426 CA LYS A 383 -11.165 -1.168 -8.919 1.00 0.00 C ATOM 427 C LYS A 383 -10.556 -2.339 -8.152 1.00 0.00 C ATOM 428 O LYS A 383 -10.706 -3.493 -8.553 1.00 0.00 O ATOM 429 CB LYS A 383 -10.173 -0.650 -9.961 1.00 0.00 C ATOM 430 CG LYS A 383 -10.647 0.610 -10.674 1.00 0.00 C ATOM 431 CD LYS A 383 -11.987 0.400 -11.360 1.00 0.00 C ATOM 432 CE LYS A 383 -12.428 1.644 -12.117 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.458 2.020 -13.182 1.00 0.00 N ATOM 0 H LYS A 383 -10.907 0.698 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.063 -1.530 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.219 -0.446 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.993 -1.431 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.731 1.425 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.904 0.911 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.916 -0.441 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.740 0.139 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.407 1.469 -12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.540 2.473 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.907 2.688 -13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.625 2.468 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.164 1.168 -13.700 1.00 0.00 H new ATOM 447 N LYS A 384 -9.851 -2.041 -7.060 1.00 0.00 N ATOM 448 CA LYS A 384 -9.211 -3.066 -6.270 1.00 0.00 C ATOM 449 C LYS A 384 -10.181 -4.107 -5.770 1.00 0.00 C ATOM 450 O LYS A 384 -11.349 -3.831 -5.494 1.00 0.00 O ATOM 451 CB LYS A 384 -8.493 -2.450 -5.084 1.00 0.00 C ATOM 452 CG LYS A 384 -7.461 -1.431 -5.491 1.00 0.00 C ATOM 453 CD LYS A 384 -6.460 -2.013 -6.467 1.00 0.00 C ATOM 454 CE LYS A 384 -6.841 -1.705 -7.906 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.764 -2.080 -8.864 1.00 0.00 N ATOM 0 H LYS A 384 -9.715 -1.092 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.498 -3.561 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.224 -1.978 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.010 -3.239 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.956 -0.572 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.939 -1.067 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.469 -1.610 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.400 -3.093 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.755 -2.241 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.058 -0.641 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.066 -1.853 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.898 -1.550 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.574 -3.100 -8.791 1.00 0.00 H new ATOM 469 N ASP A 385 -9.649 -5.296 -5.618 1.00 0.00 N ATOM 470 CA ASP A 385 -10.409 -6.421 -5.100 1.00 0.00 C ATOM 471 C ASP A 385 -10.364 -6.373 -3.584 1.00 0.00 C ATOM 472 O ASP A 385 -9.648 -5.551 -3.020 1.00 0.00 O ATOM 473 CB ASP A 385 -9.846 -7.751 -5.604 1.00 0.00 C ATOM 474 CG ASP A 385 -9.820 -7.836 -7.119 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.225 -6.856 -7.779 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.395 -8.885 -7.647 1.00 0.00 O ATOM 0 H ASP A 385 -8.680 -5.516 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.439 -6.350 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.835 -7.883 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.447 -8.569 -5.208 1.00 0.00 H new ATOM 481 N GLN A 386 -11.115 -7.237 -2.924 1.00 0.00 N ATOM 482 CA GLN A 386 -11.132 -7.251 -1.466 1.00 0.00 C ATOM 483 C GLN A 386 -9.708 -7.260 -0.913 1.00 0.00 C ATOM 484 O GLN A 386 -9.320 -6.370 -0.155 1.00 0.00 O ATOM 485 CB GLN A 386 -11.906 -8.469 -0.957 1.00 0.00 C ATOM 486 CG GLN A 386 -12.077 -8.504 0.554 1.00 0.00 C ATOM 487 CD GLN A 386 -12.808 -9.746 1.027 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.352 -10.868 0.810 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.950 -9.550 1.676 1.00 0.00 N ATOM 0 H GLN A 386 -11.716 -7.933 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.632 -6.347 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.891 -8.483 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.389 -9.374 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.097 -8.460 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.626 -7.619 0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.291 -8.602 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.486 -10.348 2.017 1.00 0.00 H new ATOM 498 N ASN A 387 -8.930 -8.257 -1.314 1.00 0.00 N ATOM 499 CA ASN A 387 -7.549 -8.377 -0.874 1.00 0.00 C ATOM 500 C ASN A 387 -6.683 -7.259 -1.452 1.00 0.00 C ATOM 501 O ASN A 387 -5.696 -6.847 -0.840 1.00 0.00 O ATOM 502 CB ASN A 387 -6.989 -9.738 -1.283 1.00 0.00 C ATOM 503 CG ASN A 387 -5.525 -9.889 -0.940 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.133 -9.804 0.223 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.706 -10.115 -1.957 1.00 0.00 N ATOM 0 H ASN A 387 -9.235 -8.997 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.531 -8.289 0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.558 -10.525 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.123 -9.875 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.706 -10.226 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.076 -10.178 -2.905 1.00 0.00 H new ATOM 512 N GLU A 388 -7.052 -6.779 -2.637 1.00 0.00 N ATOM 513 CA GLU A 388 -6.303 -5.716 -3.302 1.00 0.00 C ATOM 514 C GLU A 388 -6.634 -4.351 -2.726 1.00 0.00 C ATOM 515 O GLU A 388 -5.881 -3.396 -2.926 1.00 0.00 O ATOM 516 CB GLU A 388 -6.568 -5.733 -4.809 1.00 0.00 C ATOM 517 CG GLU A 388 -6.063 -6.991 -5.498 1.00 0.00 C ATOM 518 CD GLU A 388 -6.269 -6.959 -6.999 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.763 -6.018 -7.647 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.927 -7.878 -7.529 1.00 0.00 O ATOM 0 H GLU A 388 -7.865 -7.109 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.244 -5.904 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.640 -5.638 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.093 -4.863 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.002 -7.116 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.577 -7.858 -5.083 1.00 0.00 H new ATOM 527 N CYS A 389 -7.745 -4.247 -2.003 1.00 0.00 N ATOM 528 CA CYS A 389 -8.108 -2.973 -1.414 1.00 0.00 C ATOM 529 C CYS A 389 -7.011 -2.559 -0.450 1.00 0.00 C ATOM 530 O CYS A 389 -6.823 -3.169 0.603 1.00 0.00 O ATOM 531 CB CYS A 389 -9.457 -3.052 -0.710 1.00 0.00 C ATOM 532 SG CYS A 389 -10.156 -1.416 -0.339 1.00 0.00 S ATOM 0 H CYS A 389 -8.393 -5.013 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.208 -2.224 -2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.156 -3.607 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.345 -3.613 0.218 1.00 0.00 H new ATOM 537 N LYS A 390 -6.252 -1.553 -0.851 1.00 0.00 N ATOM 538 CA LYS A 390 -5.122 -1.082 -0.065 1.00 0.00 C ATOM 539 C LYS A 390 -5.546 -0.350 1.208 1.00 0.00 C ATOM 540 O LYS A 390 -6.705 0.031 1.366 1.00 0.00 O ATOM 541 CB LYS A 390 -4.221 -0.222 -0.938 1.00 0.00 C ATOM 542 CG LYS A 390 -3.635 -1.004 -2.110 1.00 0.00 C ATOM 543 CD LYS A 390 -2.583 -0.199 -2.858 1.00 0.00 C ATOM 544 CE LYS A 390 -1.384 0.113 -1.972 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.336 0.878 -2.701 1.00 0.00 N ATOM 0 H LYS A 390 -6.399 -1.043 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.563 -1.954 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.789 0.627 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.410 0.183 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.191 -1.930 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.434 -1.283 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.253 -0.756 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.023 0.731 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.713 0.685 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.958 -0.818 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.515 0.952 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.100 0.386 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.690 1.831 -2.919 1.00 0.00 H new ATOM 559 N SER A 391 -4.590 -0.194 2.126 1.00 0.00 N ATOM 560 CA SER A 391 -4.836 0.452 3.415 1.00 0.00 C ATOM 561 C SER A 391 -5.560 1.794 3.265 1.00 0.00 C ATOM 562 O SER A 391 -6.616 1.989 3.867 1.00 0.00 O ATOM 563 CB SER A 391 -3.520 0.640 4.176 1.00 0.00 C ATOM 564 OG SER A 391 -3.733 1.297 5.413 1.00 0.00 O ATOM 0 H SER A 391 -3.629 -0.510 1.997 1.00 0.00 H new ATOM 0 HA SER A 391 -5.492 -0.206 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.057 -0.331 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.825 1.220 3.568 1.00 0.00 H new ATOM 0 HG SER A 391 -2.877 1.403 5.879 1.00 0.00 H new ATOM 570 N PRO A 392 -5.022 2.743 2.466 1.00 0.00 N ATOM 571 CA PRO A 392 -5.654 4.046 2.266 1.00 0.00 C ATOM 572 C PRO A 392 -7.136 3.907 1.945 1.00 0.00 C ATOM 573 O PRO A 392 -7.951 4.749 2.319 1.00 0.00 O ATOM 574 CB PRO A 392 -4.895 4.636 1.065 1.00 0.00 C ATOM 575 CG PRO A 392 -4.052 3.532 0.530 1.00 0.00 C ATOM 576 CD PRO A 392 -3.777 2.646 1.696 1.00 0.00 C ATOM 0 HA PRO A 392 -5.604 4.671 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.588 5.001 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.281 5.483 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.569 2.990 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.126 3.916 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.569 1.621 1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.916 2.987 2.271 1.00 0.00 H new ATOM 584 N CYS A 393 -7.469 2.829 1.246 1.00 0.00 N ATOM 585 CA CYS A 393 -8.845 2.550 0.861 1.00 0.00 C ATOM 586 C CYS A 393 -9.695 2.190 2.086 1.00 0.00 C ATOM 587 O CYS A 393 -9.280 2.406 3.225 1.00 0.00 O ATOM 588 CB CYS A 393 -8.860 1.395 -0.141 1.00 0.00 C ATOM 589 SG CYS A 393 -7.716 1.602 -1.544 1.00 0.00 S ATOM 0 H CYS A 393 -6.797 2.128 0.932 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.272 3.443 0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.610 0.472 0.383 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.872 1.278 -0.527 1.00 0.00 H new ATOM 594 N LYS A 394 -10.878 1.624 1.838 1.00 0.00 N ATOM 595 CA LYS A 394 -11.794 1.212 2.908 1.00 0.00 C ATOM 596 C LYS A 394 -12.757 0.140 2.412 1.00 0.00 C ATOM 597 O LYS A 394 -13.416 0.312 1.387 1.00 0.00 O ATOM 598 CB LYS A 394 -12.597 2.402 3.439 1.00 0.00 C ATOM 599 CG LYS A 394 -11.808 3.329 4.348 1.00 0.00 C ATOM 600 CD LYS A 394 -12.688 4.428 4.919 1.00 0.00 C ATOM 601 CE LYS A 394 -13.829 3.856 5.743 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.336 3.084 6.918 1.00 0.00 N ATOM 0 H LYS A 394 -11.228 1.439 0.898 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.186 0.807 3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.976 2.976 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.463 2.027 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.367 2.754 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -10.984 3.774 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -12.086 5.092 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.092 5.031 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.471 4.667 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.441 3.209 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.132 2.870 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.904 2.195 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.627 3.647 7.430 1.00 0.00 H new ATOM 616 N TRP A 395 -12.829 -0.971 3.145 1.00 0.00 N ATOM 617 CA TRP A 395 -13.703 -2.079 2.774 1.00 0.00 C ATOM 618 C TRP A 395 -15.170 -1.761 3.049 1.00 0.00 C ATOM 619 O TRP A 395 -15.499 -1.078 4.020 1.00 0.00 O ATOM 620 CB TRP A 395 -13.302 -3.360 3.515 1.00 0.00 C ATOM 621 CG TRP A 395 -14.020 -4.584 3.018 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.621 -5.550 3.773 1.00 0.00 C ATOM 623 CD2 TRP A 395 -14.205 -4.972 1.651 1.00 0.00 C ATOM 624 NE1 TRP A 395 -15.169 -6.513 2.957 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.926 -6.179 1.650 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.829 -4.414 0.430 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -15.278 -6.833 0.469 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -14.175 -5.056 -0.739 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.895 -6.258 -0.714 1.00 0.00 C ATOM 0 H TRP A 395 -12.292 -1.126 3.998 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.585 -2.234 1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -12.227 -3.510 3.411 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.505 -3.235 4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.660 -5.557 4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.674 -7.341 3.273 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.273 -3.489 0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.833 -7.760 0.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.887 -4.627 -1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -15.153 -6.740 -1.645 1.00 0.00 H new ATOM 640 N HIS A 396 -16.045 -2.274 2.188 1.00 0.00 N ATOM 641 CA HIS A 396 -17.482 -2.065 2.329 1.00 0.00 C ATOM 642 C HIS A 396 -18.235 -3.373 2.118 1.00 0.00 C ATOM 643 O HIS A 396 -18.481 -3.787 0.983 1.00 0.00 O ATOM 644 CB HIS A 396 -17.971 -1.016 1.330 1.00 0.00 C ATOM 645 CG HIS A 396 -17.464 0.363 1.614 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.748 1.043 2.780 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.685 1.191 0.879 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.169 2.229 2.748 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.517 2.344 1.606 1.00 0.00 N ATOM 0 H HIS A 396 -15.781 -2.840 1.382 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.677 -1.706 3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.661 -1.309 0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.061 -1.002 1.335 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.272 0.983 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.220 2.978 3.524 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.976 3.157 1.311 1.00 0.00 H new ATOM 658 N ASN A 397 -18.597 -4.017 3.224 1.00 0.00 N ATOM 659 CA ASN A 397 -19.322 -5.280 3.175 1.00 0.00 C ATOM 660 C ASN A 397 -20.820 -5.029 3.019 1.00 0.00 C ATOM 661 O ASN A 397 -21.312 -3.945 3.333 1.00 0.00 O ATOM 662 CB ASN A 397 -19.048 -6.100 4.439 1.00 0.00 C ATOM 663 CG ASN A 397 -19.386 -7.571 4.268 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.530 -7.933 3.998 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.386 -8.428 4.425 1.00 0.00 N ATOM 0 H ASN A 397 -18.399 -3.683 4.167 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.974 -5.846 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.997 -6.002 4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.630 -5.691 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.551 -9.429 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.451 -8.086 4.649 1.00 0.00 H new ATOM 672 N ASP A 398 -21.531 -6.038 2.524 1.00 0.00 N ATOM 673 CA ASP A 398 -22.975 -5.947 2.309 1.00 0.00 C ATOM 674 C ASP A 398 -23.302 -4.970 1.185 1.00 0.00 C ATOM 675 O ASP A 398 -24.394 -4.402 1.142 1.00 0.00 O ATOM 676 CB ASP A 398 -23.698 -5.518 3.591 1.00 0.00 C ATOM 677 CG ASP A 398 -23.458 -6.467 4.749 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.301 -6.566 5.206 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.428 -7.113 5.199 1.00 0.00 O ATOM 0 H ASP A 398 -21.127 -6.937 2.261 1.00 0.00 H new ATOM 0 HA ASP A 398 -23.323 -6.940 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.366 -4.518 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.768 -5.455 3.395 1.00 0.00 H new ATOM 684 N ALA A 399 -22.359 -4.791 0.264 1.00 0.00 N ATOM 685 CA ALA A 399 -22.561 -3.897 -0.869 1.00 0.00 C ATOM 686 C ALA A 399 -23.409 -4.585 -1.936 1.00 0.00 C ATOM 687 O ALA A 399 -23.957 -5.662 -1.697 1.00 0.00 O ATOM 688 CB ALA A 399 -21.217 -3.460 -1.445 1.00 0.00 C ATOM 0 H ALA A 399 -21.450 -5.253 0.281 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.091 -3.008 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.383 -2.793 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.645 -2.938 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.662 -4.337 -1.778 1.00 0.00 H new ATOM 694 N GLU A 400 -23.498 -3.979 -3.116 1.00 0.00 N ATOM 695 CA GLU A 400 -24.261 -4.565 -4.211 1.00 0.00 C ATOM 696 C GLU A 400 -23.608 -5.869 -4.630 1.00 0.00 C ATOM 697 O GLU A 400 -24.257 -6.787 -5.133 1.00 0.00 O ATOM 698 CB GLU A 400 -24.315 -3.607 -5.405 1.00 0.00 C ATOM 699 CG GLU A 400 -25.160 -4.119 -6.560 1.00 0.00 C ATOM 700 CD GLU A 400 -26.605 -4.359 -6.168 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.276 -3.392 -5.752 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.065 -5.515 -6.276 1.00 0.00 O ATOM 0 H GLU A 400 -23.054 -3.088 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.280 -4.752 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.712 -2.648 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.301 -3.426 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.125 -3.399 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.731 -5.048 -6.935 1.00 0.00 H new ATOM 709 N ASN A 401 -22.301 -5.917 -4.418 1.00 0.00 N ATOM 710 CA ASN A 401 -21.484 -7.068 -4.759 1.00 0.00 C ATOM 711 C ASN A 401 -20.069 -6.852 -4.241 1.00 0.00 C ATOM 712 O ASN A 401 -19.090 -7.058 -4.960 1.00 0.00 O ATOM 713 CB ASN A 401 -21.475 -7.262 -6.273 1.00 0.00 C ATOM 714 CG ASN A 401 -21.276 -5.951 -7.009 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.167 -5.104 -7.041 1.00 0.00 O ATOM 716 ND2 ASN A 401 -20.099 -5.769 -7.589 1.00 0.00 N ATOM 0 H ASN A 401 -21.775 -5.150 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.898 -7.964 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.680 -7.956 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.415 -7.716 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.904 -4.900 -8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.387 -6.498 -7.538 1.00 0.00 H new ATOM 723 N LYS A 402 -19.982 -6.405 -2.987 1.00 0.00 N ATOM 724 CA LYS A 402 -18.704 -6.118 -2.345 1.00 0.00 C ATOM 725 C LYS A 402 -18.037 -4.927 -3.025 1.00 0.00 C ATOM 726 O LYS A 402 -17.780 -4.951 -4.228 1.00 0.00 O ATOM 727 CB LYS A 402 -17.783 -7.344 -2.372 1.00 0.00 C ATOM 728 CG LYS A 402 -18.199 -8.447 -1.406 1.00 0.00 C ATOM 729 CD LYS A 402 -19.539 -9.067 -1.784 1.00 0.00 C ATOM 730 CE LYS A 402 -19.448 -9.850 -3.082 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.473 -10.971 -2.983 1.00 0.00 N ATOM 0 H LYS A 402 -20.793 -6.233 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.891 -5.869 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.762 -7.749 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.767 -7.029 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.433 -9.222 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.261 -8.040 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.874 -9.727 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -20.288 -8.282 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -20.431 -10.245 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.152 -9.181 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.650 -11.654 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.506 -10.598 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.581 -11.445 -2.064 1.00 0.00 H new ATOM 745 N LYS A 403 -17.780 -3.875 -2.252 1.00 0.00 N ATOM 746 CA LYS A 403 -17.170 -2.667 -2.793 1.00 0.00 C ATOM 747 C LYS A 403 -16.083 -2.117 -1.874 1.00 0.00 C ATOM 748 O LYS A 403 -16.047 -2.424 -0.682 1.00 0.00 O ATOM 749 CB LYS A 403 -18.238 -1.597 -3.022 1.00 0.00 C ATOM 750 CG LYS A 403 -19.341 -2.035 -3.972 1.00 0.00 C ATOM 751 CD LYS A 403 -20.343 -0.919 -4.225 1.00 0.00 C ATOM 752 CE LYS A 403 -19.689 0.287 -4.883 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.069 -0.061 -6.192 1.00 0.00 N ATOM 0 H LYS A 403 -17.984 -3.836 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.704 -2.933 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.681 -1.326 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.763 -0.700 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.902 -2.351 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.857 -2.900 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.147 -1.289 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.797 -0.617 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.435 1.068 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.928 0.695 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.816 0.811 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.212 -0.628 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.745 -0.609 -6.761 1.00 0.00 H new ATOM 767 N CYS A 404 -15.206 -1.293 -2.442 1.00 0.00 N ATOM 768 CA CYS A 404 -14.118 -0.682 -1.685 1.00 0.00 C ATOM 769 C CYS A 404 -13.785 0.690 -2.269 1.00 0.00 C ATOM 770 O CYS A 404 -13.715 0.849 -3.488 1.00 0.00 O ATOM 771 CB CYS A 404 -12.884 -1.592 -1.691 1.00 0.00 C ATOM 772 SG CYS A 404 -12.114 -1.772 -0.049 1.00 0.00 S ATOM 0 H CYS A 404 -15.228 -1.033 -3.428 1.00 0.00 H new ATOM 0 HA CYS A 404 -14.435 -0.551 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -13.169 -2.577 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.148 -1.190 -2.388 1.00 0.00 H new ATOM 777 N THR A 405 -13.609 1.686 -1.399 1.00 0.00 N ATOM 778 CA THR A 405 -13.318 3.046 -1.851 1.00 0.00 C ATOM 779 C THR A 405 -12.236 3.720 -1.009 1.00 0.00 C ATOM 780 O THR A 405 -12.083 3.437 0.178 1.00 0.00 O ATOM 781 CB THR A 405 -14.582 3.926 -1.818 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.101 3.991 -0.484 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.648 3.380 -2.755 1.00 0.00 C ATOM 0 H THR A 405 -13.662 1.578 -0.386 1.00 0.00 H new ATOM 0 HA THR A 405 -12.957 2.950 -2.875 1.00 0.00 H new ATOM 0 HB THR A 405 -14.307 4.927 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.903 4.554 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.530 4.019 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.261 3.361 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.917 2.369 -2.450 1.00 0.00 H new ATOM 791 N LEU A 406 -11.492 4.620 -1.648 1.00 0.00 N ATOM 792 CA LEU A 406 -10.419 5.358 -0.996 1.00 0.00 C ATOM 793 C LEU A 406 -10.969 6.309 0.057 1.00 0.00 C ATOM 794 O LEU A 406 -12.032 6.906 -0.120 1.00 0.00 O ATOM 795 CB LEU A 406 -9.615 6.131 -2.045 1.00 0.00 C ATOM 796 CG LEU A 406 -8.319 6.786 -1.562 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.601 8.091 -0.836 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.540 5.833 -0.673 1.00 0.00 C ATOM 0 H LEU A 406 -11.618 4.856 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.765 4.646 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.370 5.449 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.256 6.908 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.711 7.017 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.662 8.533 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.109 8.780 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.235 7.897 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.622 6.316 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.146 5.566 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.293 4.932 -1.234 1.00 0.00 H new ATOM 810 N ASP A 407 -10.232 6.446 1.150 1.00 0.00 N ATOM 811 CA ASP A 407 -10.632 7.328 2.242 1.00 0.00 C ATOM 812 C ASP A 407 -9.766 8.585 2.271 1.00 0.00 C ATOM 813 O ASP A 407 -8.543 8.509 2.166 1.00 0.00 O ATOM 814 CB ASP A 407 -10.540 6.592 3.579 1.00 0.00 C ATOM 815 CG ASP A 407 -10.999 7.450 4.743 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.168 7.890 4.730 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.192 7.678 5.668 1.00 0.00 O ATOM 0 H ASP A 407 -9.351 5.957 1.306 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.666 7.629 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.147 5.688 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.510 6.277 3.747 1.00 0.00 H new ATOM 822 N LYS A 408 -10.411 9.738 2.411 1.00 0.00 N ATOM 823 CA LYS A 408 -9.704 11.015 2.449 1.00 0.00 C ATOM 824 C LYS A 408 -8.780 11.105 3.661 1.00 0.00 C ATOM 825 O LYS A 408 -7.638 11.547 3.549 1.00 0.00 O ATOM 826 CB LYS A 408 -10.704 12.172 2.479 1.00 0.00 C ATOM 827 CG LYS A 408 -11.615 12.229 1.260 1.00 0.00 C ATOM 828 CD LYS A 408 -10.839 12.526 -0.015 1.00 0.00 C ATOM 829 CE LYS A 408 -10.203 13.908 0.022 1.00 0.00 C ATOM 830 NZ LYS A 408 -9.460 14.212 -1.233 1.00 0.00 N ATOM 0 H LYS A 408 -11.424 9.816 2.500 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.094 11.083 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.318 12.086 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.156 13.111 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.139 11.279 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -12.374 12.996 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.064 11.772 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.508 12.456 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.977 14.660 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -9.523 13.972 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -9.042 15.162 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.705 13.510 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.114 14.177 -2.041 1.00 0.00 H new ATOM 844 N GLU A 409 -9.288 10.698 4.821 1.00 0.00 N ATOM 845 CA GLU A 409 -8.517 10.746 6.057 1.00 0.00 C ATOM 846 C GLU A 409 -7.284 9.846 5.990 1.00 0.00 C ATOM 847 O GLU A 409 -6.187 10.254 6.371 1.00 0.00 O ATOM 848 CB GLU A 409 -9.401 10.336 7.236 1.00 0.00 C ATOM 849 CG GLU A 409 -8.691 10.400 8.576 1.00 0.00 C ATOM 850 CD GLU A 409 -9.589 10.000 9.731 1.00 0.00 C ATOM 851 OE1 GLU A 409 -10.624 10.669 9.937 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.259 9.017 10.427 1.00 0.00 O ATOM 0 H GLU A 409 -10.233 10.330 4.930 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.172 11.770 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.276 10.985 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.762 9.321 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -7.820 9.745 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.323 11.413 8.740 1.00 0.00 H new ATOM 859 N GLU A 410 -7.470 8.621 5.514 1.00 0.00 N ATOM 860 CA GLU A 410 -6.369 7.669 5.412 1.00 0.00 C ATOM 861 C GLU A 410 -5.339 8.118 4.378 1.00 0.00 C ATOM 862 O GLU A 410 -4.135 8.070 4.627 1.00 0.00 O ATOM 863 CB GLU A 410 -6.898 6.278 5.049 1.00 0.00 C ATOM 864 CG GLU A 410 -7.843 5.691 6.084 1.00 0.00 C ATOM 865 CD GLU A 410 -7.172 5.430 7.421 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.947 5.650 7.527 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.872 4.996 8.360 1.00 0.00 O ATOM 0 H GLU A 410 -8.370 8.263 5.193 1.00 0.00 H new ATOM 0 HA GLU A 410 -5.879 7.625 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.414 6.335 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.054 5.602 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.680 6.373 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -8.256 4.757 5.703 1.00 0.00 H new ATOM 874 N ALA A 411 -5.820 8.542 3.215 1.00 0.00 N ATOM 875 CA ALA A 411 -4.944 8.982 2.133 1.00 0.00 C ATOM 876 C ALA A 411 -4.129 10.216 2.510 1.00 0.00 C ATOM 877 O ALA A 411 -2.936 10.285 2.222 1.00 0.00 O ATOM 878 CB ALA A 411 -5.757 9.261 0.881 1.00 0.00 C ATOM 0 H ALA A 411 -6.815 8.591 2.996 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.240 8.173 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.093 9.588 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.275 8.353 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.488 10.043 1.088 1.00 0.00 H new ATOM 884 N LYS A 412 -4.773 11.196 3.134 1.00 0.00 N ATOM 885 CA LYS A 412 -4.090 12.426 3.520 1.00 0.00 C ATOM 886 C LYS A 412 -2.967 12.147 4.517 1.00 0.00 C ATOM 887 O LYS A 412 -1.885 12.725 4.420 1.00 0.00 O ATOM 888 CB LYS A 412 -5.082 13.433 4.108 1.00 0.00 C ATOM 889 CG LYS A 412 -5.735 12.972 5.401 1.00 0.00 C ATOM 890 CD LYS A 412 -6.692 14.017 5.957 1.00 0.00 C ATOM 891 CE LYS A 412 -5.965 15.297 6.341 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.889 16.305 6.927 1.00 0.00 N ATOM 0 H LYS A 412 -5.762 11.164 3.382 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.647 12.854 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.564 14.375 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.860 13.634 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.276 12.042 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -4.964 12.756 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.457 14.242 5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.204 13.613 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.177 15.066 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.480 15.718 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.355 17.162 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.626 16.545 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.333 15.914 7.782 1.00 0.00 H new