USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 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+ -121:sc= -4.49! (180deg=-7.2!) USER MOD Set 1.2: A 396 HIS :FLIP no HD1:sc= -2.47! C(o=-7.7!,f=-6.6!) USER MOD Set 1.3: A 405 THR OG1 : rot -94:sc= 0.358 USER MOD Single : A 377 THR OG1 : rot 180:sc=-0.00247 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.873 F(o=-3.6!,f=-0.87) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -115:sc= -0.145 (180deg=-2.56!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.013) 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= -2.9! C(o=-2.9!,f=-3.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.216 F(o=-2.8!,f=-0.22) USER MOD Single : A 402 LYS NZ :NH3+ -167:sc= -0.0583 (180deg=-0.3) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0393 (180deg=-0.313) USER MOD Single : A 412 LYS NZ :NH3+ 177:sc= -2.66! (180deg=-2.71!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.422 6.252 -3.672 1.00 0.00 N ATOM 340 CA GLU A 376 -4.551 6.755 -2.899 1.00 0.00 C ATOM 341 C GLU A 376 -5.489 7.603 -3.749 1.00 0.00 C ATOM 342 O GLU A 376 -5.455 8.834 -3.714 1.00 0.00 O ATOM 343 CB GLU A 376 -4.045 7.561 -1.707 1.00 0.00 C ATOM 344 CG GLU A 376 -3.095 8.676 -2.101 1.00 0.00 C ATOM 345 CD GLU A 376 -2.419 9.326 -0.907 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.683 8.892 0.233 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.626 10.267 -1.115 1.00 0.00 O ATOM 0 HA GLU A 376 -5.120 5.896 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.897 7.988 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.540 6.891 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.333 8.278 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.644 9.435 -2.658 1.00 0.00 H new ATOM 354 N THR A 377 -6.336 6.923 -4.497 1.00 0.00 N ATOM 355 CA THR A 377 -7.311 7.577 -5.355 1.00 0.00 C ATOM 356 C THR A 377 -8.574 6.739 -5.456 1.00 0.00 C ATOM 357 O THR A 377 -8.515 5.511 -5.498 1.00 0.00 O ATOM 358 CB THR A 377 -6.768 7.827 -6.773 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.356 6.590 -7.365 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.601 8.803 -6.751 1.00 0.00 C ATOM 0 H THR A 377 -6.370 5.904 -4.529 1.00 0.00 H new ATOM 0 HA THR A 377 -7.532 8.541 -4.898 1.00 0.00 H new ATOM 0 HB THR A 377 -7.568 8.266 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.013 6.757 -8.268 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.239 8.960 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.930 9.754 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.797 8.395 -6.138 1.00 0.00 H new ATOM 368 N GLU A 378 -9.716 7.413 -5.490 1.00 0.00 N ATOM 369 CA GLU A 378 -11.001 6.734 -5.583 1.00 0.00 C ATOM 370 C GLU A 378 -11.023 5.796 -6.779 1.00 0.00 C ATOM 371 O GLU A 378 -11.555 4.689 -6.707 1.00 0.00 O ATOM 372 CB GLU A 378 -12.129 7.758 -5.703 1.00 0.00 C ATOM 373 CG GLU A 378 -13.518 7.139 -5.724 1.00 0.00 C ATOM 374 CD GLU A 378 -14.619 8.175 -5.859 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.297 9.381 -5.921 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.803 7.780 -5.902 1.00 0.00 O ATOM 0 H GLU A 378 -9.778 8.430 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.148 6.147 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.065 8.456 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.986 8.338 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.585 6.434 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.671 6.569 -4.808 1.00 0.00 H new ATOM 383 N GLY A 379 -10.440 6.253 -7.875 1.00 0.00 N ATOM 384 CA GLY A 379 -10.393 5.455 -9.081 1.00 0.00 C ATOM 385 C GLY A 379 -9.613 4.170 -8.909 1.00 0.00 C ATOM 386 O GLY A 379 -9.985 3.138 -9.466 1.00 0.00 O ATOM 0 H GLY A 379 -9.996 7.168 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.410 5.217 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.943 6.042 -9.882 1.00 0.00 H new ATOM 390 N SER A 380 -8.528 4.227 -8.147 1.00 0.00 N ATOM 391 CA SER A 380 -7.703 3.048 -7.924 1.00 0.00 C ATOM 392 C SER A 380 -8.421 2.018 -7.060 1.00 0.00 C ATOM 393 O SER A 380 -8.461 0.837 -7.391 1.00 0.00 O ATOM 394 CB SER A 380 -6.386 3.445 -7.272 1.00 0.00 C ATOM 395 OG SER A 380 -5.567 2.312 -7.040 1.00 0.00 O ATOM 0 H SER A 380 -8.201 5.071 -7.676 1.00 0.00 H new ATOM 0 HA SER A 380 -7.504 2.593 -8.894 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.859 4.153 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.583 3.954 -6.328 1.00 0.00 H new ATOM 0 HG SER A 380 -4.727 2.596 -6.622 1.00 0.00 H new ATOM 401 N CYS A 381 -8.976 2.477 -5.946 1.00 0.00 N ATOM 402 CA CYS A 381 -9.678 1.599 -5.012 1.00 0.00 C ATOM 403 C CYS A 381 -10.828 0.847 -5.677 1.00 0.00 C ATOM 404 O CYS A 381 -10.990 -0.356 -5.469 1.00 0.00 O ATOM 405 CB CYS A 381 -10.202 2.413 -3.833 1.00 0.00 C ATOM 406 SG CYS A 381 -8.896 3.279 -2.911 1.00 0.00 S ATOM 0 H CYS A 381 -8.955 3.457 -5.664 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.963 0.855 -4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.923 3.144 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.737 1.750 -3.153 1.00 0.00 H new ATOM 411 N ASN A 382 -11.627 1.559 -6.465 1.00 0.00 N ATOM 412 CA ASN A 382 -12.766 0.951 -7.149 1.00 0.00 C ATOM 413 C ASN A 382 -12.337 -0.276 -7.945 1.00 0.00 C ATOM 414 O ASN A 382 -13.131 -1.186 -8.182 1.00 0.00 O ATOM 415 CB ASN A 382 -13.428 1.963 -8.087 1.00 0.00 C ATOM 416 CG ASN A 382 -13.929 3.202 -7.366 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.758 3.243 -6.050 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.468 4.118 -7.990 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.508 2.556 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.483 0.640 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.713 2.260 -8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.263 1.484 -8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.581 4.049 -9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.801 4.945 -7.495 1.00 0.00 H new ATOM 425 N LYS A 383 -11.079 -0.286 -8.365 1.00 0.00 N ATOM 426 CA LYS A 383 -10.538 -1.389 -9.145 1.00 0.00 C ATOM 427 C LYS A 383 -9.993 -2.483 -8.236 1.00 0.00 C ATOM 428 O LYS A 383 -10.084 -3.671 -8.549 1.00 0.00 O ATOM 429 CB LYS A 383 -9.432 -0.867 -10.061 1.00 0.00 C ATOM 430 CG LYS A 383 -9.817 0.404 -10.805 1.00 0.00 C ATOM 431 CD LYS A 383 -10.988 0.176 -11.751 1.00 0.00 C ATOM 432 CE LYS A 383 -10.639 -0.818 -12.849 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.772 -1.025 -13.795 1.00 0.00 N ATOM 0 H LYS A 383 -10.412 0.462 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.339 -1.819 -9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.538 -0.676 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.174 -1.640 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.077 1.181 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.959 0.768 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.845 -0.191 -11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.284 1.125 -12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.768 -0.460 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.363 -1.772 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.493 -1.709 -14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.595 -1.391 -13.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.020 -0.120 -14.243 1.00 0.00 H new ATOM 447 N LYS A 384 -9.412 -2.068 -7.117 1.00 0.00 N ATOM 448 CA LYS A 384 -8.831 -2.992 -6.158 1.00 0.00 C ATOM 449 C LYS A 384 -9.892 -3.842 -5.466 1.00 0.00 C ATOM 450 O LYS A 384 -10.865 -3.319 -4.923 1.00 0.00 O ATOM 451 CB LYS A 384 -8.033 -2.201 -5.123 1.00 0.00 C ATOM 452 CG LYS A 384 -6.632 -1.795 -5.575 1.00 0.00 C ATOM 453 CD LYS A 384 -6.588 -1.281 -7.008 1.00 0.00 C ATOM 454 CE LYS A 384 -6.282 -2.394 -8.000 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.250 -1.896 -9.402 1.00 0.00 N ATOM 0 H LYS A 384 -9.332 -1.086 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.175 -3.675 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.591 -1.302 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.949 -2.798 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.252 -1.022 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.965 -2.652 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.545 -0.823 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.830 -0.502 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.321 -2.846 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.035 -3.177 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.025 -2.330 -9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.362 -0.862 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.340 -2.147 -9.839 1.00 0.00 H new ATOM 469 N ASP A 385 -9.682 -5.157 -5.474 1.00 0.00 N ATOM 470 CA ASP A 385 -10.606 -6.083 -4.831 1.00 0.00 C ATOM 471 C ASP A 385 -10.373 -6.088 -3.323 1.00 0.00 C ATOM 472 O ASP A 385 -9.684 -5.218 -2.801 1.00 0.00 O ATOM 473 CB ASP A 385 -10.430 -7.493 -5.399 1.00 0.00 C ATOM 474 CG ASP A 385 -10.682 -7.547 -6.893 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.805 -7.204 -7.319 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.756 -7.933 -7.637 1.00 0.00 O ATOM 0 H ASP A 385 -8.880 -5.603 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.626 -5.755 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.419 -7.843 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.114 -8.174 -4.893 1.00 0.00 H new ATOM 481 N GLN A 386 -10.942 -7.069 -2.630 1.00 0.00 N ATOM 482 CA GLN A 386 -10.785 -7.167 -1.180 1.00 0.00 C ATOM 483 C GLN A 386 -9.313 -7.128 -0.780 1.00 0.00 C ATOM 484 O GLN A 386 -8.886 -6.249 -0.030 1.00 0.00 O ATOM 485 CB GLN A 386 -11.428 -8.459 -0.669 1.00 0.00 C ATOM 486 CG GLN A 386 -11.277 -8.665 0.829 1.00 0.00 C ATOM 487 CD GLN A 386 -11.865 -9.983 1.296 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.447 -11.054 0.854 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.839 -9.912 2.196 1.00 0.00 N ATOM 0 H GLN A 386 -11.514 -7.805 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.284 -6.310 -0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.489 -8.451 -0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.983 -9.307 -1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.220 -8.629 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.766 -7.846 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.155 -9.003 2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.271 -10.766 2.548 1.00 0.00 H new ATOM 498 N ASN A 387 -8.543 -8.084 -1.285 1.00 0.00 N ATOM 499 CA ASN A 387 -7.122 -8.166 -0.984 1.00 0.00 C ATOM 500 C ASN A 387 -6.357 -6.988 -1.581 1.00 0.00 C ATOM 501 O ASN A 387 -5.274 -6.637 -1.110 1.00 0.00 O ATOM 502 CB ASN A 387 -6.560 -9.483 -1.516 1.00 0.00 C ATOM 503 CG ASN A 387 -5.067 -9.597 -1.315 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.573 -9.564 -0.189 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.339 -9.732 -2.413 1.00 0.00 N ATOM 0 H ASN A 387 -8.883 -8.817 -1.908 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.999 -8.127 0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.056 -10.315 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.788 -9.569 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.325 -9.814 -2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.793 -9.754 -3.326 1.00 0.00 H new ATOM 512 N GLU A 388 -6.917 -6.386 -2.626 1.00 0.00 N ATOM 513 CA GLU A 388 -6.277 -5.257 -3.291 1.00 0.00 C ATOM 514 C GLU A 388 -6.642 -3.935 -2.626 1.00 0.00 C ATOM 515 O GLU A 388 -5.962 -2.929 -2.824 1.00 0.00 O ATOM 516 CB GLU A 388 -6.661 -5.225 -4.770 1.00 0.00 C ATOM 517 CG GLU A 388 -6.224 -6.462 -5.540 1.00 0.00 C ATOM 518 CD GLU A 388 -6.636 -6.420 -6.999 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.255 -5.417 -7.415 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.341 -7.391 -7.727 1.00 0.00 O ATOM 0 H GLU A 388 -7.812 -6.661 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.199 -5.389 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.743 -5.119 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.217 -4.344 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.140 -6.561 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.653 -7.347 -5.071 1.00 0.00 H new ATOM 527 N CYS A 389 -7.714 -3.940 -1.838 1.00 0.00 N ATOM 528 CA CYS A 389 -8.151 -2.731 -1.154 1.00 0.00 C ATOM 529 C CYS A 389 -7.002 -2.198 -0.301 1.00 0.00 C ATOM 530 O CYS A 389 -6.727 -2.705 0.786 1.00 0.00 O ATOM 531 CB CYS A 389 -9.388 -3.025 -0.299 1.00 0.00 C ATOM 532 SG CYS A 389 -10.363 -1.551 0.154 1.00 0.00 S ATOM 0 H CYS A 389 -8.291 -4.762 -1.659 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.428 -1.971 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.032 -3.718 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.072 -3.530 0.614 1.00 0.00 H new ATOM 537 N LYS A 390 -6.310 -1.198 -0.837 1.00 0.00 N ATOM 538 CA LYS A 390 -5.151 -0.607 -0.177 1.00 0.00 C ATOM 539 C LYS A 390 -5.532 0.206 1.055 1.00 0.00 C ATOM 540 O LYS A 390 -6.695 0.554 1.254 1.00 0.00 O ATOM 541 CB LYS A 390 -4.385 0.259 -1.170 1.00 0.00 C ATOM 542 CG LYS A 390 -3.889 -0.514 -2.384 1.00 0.00 C ATOM 543 CD LYS A 390 -3.115 0.381 -3.337 1.00 0.00 C ATOM 544 CE LYS A 390 -2.628 -0.386 -4.554 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.819 0.473 -5.463 1.00 0.00 N ATOM 0 H LYS A 390 -6.535 -0.776 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.516 -1.423 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.029 1.073 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.533 0.713 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.252 -1.336 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.737 -0.956 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.750 1.207 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.263 0.817 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.030 -1.238 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.484 -0.786 -5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.505 -0.087 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.398 1.272 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.989 0.834 -4.952 1.00 0.00 H new ATOM 559 N SER A 391 -4.528 0.489 1.888 1.00 0.00 N ATOM 560 CA SER A 391 -4.727 1.249 3.120 1.00 0.00 C ATOM 561 C SER A 391 -5.492 2.550 2.870 1.00 0.00 C ATOM 562 O SER A 391 -6.490 2.813 3.542 1.00 0.00 O ATOM 563 CB SER A 391 -3.380 1.547 3.781 1.00 0.00 C ATOM 564 OG SER A 391 -3.553 2.245 5.002 1.00 0.00 O ATOM 0 H SER A 391 -3.563 0.200 1.728 1.00 0.00 H new ATOM 0 HA SER A 391 -5.330 0.636 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.847 0.614 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.763 2.139 3.105 1.00 0.00 H new ATOM 0 HG SER A 391 -2.677 2.422 5.405 1.00 0.00 H new ATOM 570 N PRO A 392 -5.057 3.387 1.901 1.00 0.00 N ATOM 571 CA PRO A 392 -5.736 4.643 1.588 1.00 0.00 C ATOM 572 C PRO A 392 -7.226 4.431 1.388 1.00 0.00 C ATOM 573 O PRO A 392 -8.047 5.273 1.751 1.00 0.00 O ATOM 574 CB PRO A 392 -5.085 5.083 0.267 1.00 0.00 C ATOM 575 CG PRO A 392 -4.326 3.900 -0.216 1.00 0.00 C ATOM 576 CD PRO A 392 -3.894 3.196 1.021 1.00 0.00 C ATOM 0 HA PRO A 392 -5.640 5.377 2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.838 5.389 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.425 5.937 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.948 3.258 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.470 4.199 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.688 2.141 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.987 3.630 1.442 1.00 0.00 H new ATOM 584 N CYS A 393 -7.557 3.290 0.798 1.00 0.00 N ATOM 585 CA CYS A 393 -8.940 2.935 0.526 1.00 0.00 C ATOM 586 C CYS A 393 -9.711 2.685 1.817 1.00 0.00 C ATOM 587 O CYS A 393 -9.319 3.141 2.890 1.00 0.00 O ATOM 588 CB CYS A 393 -8.983 1.682 -0.349 1.00 0.00 C ATOM 589 SG CYS A 393 -7.988 1.801 -1.868 1.00 0.00 S ATOM 0 H CYS A 393 -6.879 2.590 0.497 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.411 3.769 0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.633 0.831 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.018 1.477 -0.621 1.00 0.00 H new ATOM 594 N LYS A 394 -10.804 1.946 1.695 1.00 0.00 N ATOM 595 CA LYS A 394 -11.644 1.608 2.834 1.00 0.00 C ATOM 596 C LYS A 394 -12.609 0.500 2.447 1.00 0.00 C ATOM 597 O LYS A 394 -13.515 0.700 1.640 1.00 0.00 O ATOM 598 CB LYS A 394 -12.408 2.842 3.319 1.00 0.00 C ATOM 599 CG LYS A 394 -13.307 2.574 4.516 1.00 0.00 C ATOM 600 CD LYS A 394 -13.918 3.855 5.073 1.00 0.00 C ATOM 601 CE LYS A 394 -14.875 4.510 4.086 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.166 5.127 2.930 1.00 0.00 N ATOM 0 H LYS A 394 -11.132 1.565 0.807 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.013 1.257 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.693 3.622 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.014 3.228 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.104 1.890 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.731 2.078 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.450 3.630 5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.122 4.556 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.581 3.765 3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.457 5.274 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.384 6.143 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.140 4.997 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.478 4.672 2.048 1.00 0.00 H new ATOM 616 N TRP A 395 -12.386 -0.678 3.015 1.00 0.00 N ATOM 617 CA TRP A 395 -13.214 -1.836 2.719 1.00 0.00 C ATOM 618 C TRP A 395 -14.627 -1.665 3.264 1.00 0.00 C ATOM 619 O TRP A 395 -14.817 -1.299 4.423 1.00 0.00 O ATOM 620 CB TRP A 395 -12.575 -3.099 3.300 1.00 0.00 C ATOM 621 CG TRP A 395 -13.221 -4.367 2.830 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.724 -5.368 3.609 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.420 -4.775 1.471 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.230 -6.372 2.818 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.054 -6.031 1.503 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.126 -4.199 0.230 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.398 -6.720 0.343 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.470 -4.886 -0.920 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.100 -6.134 -0.856 1.00 0.00 C ATOM 0 H TRP A 395 -11.637 -0.855 3.684 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.283 -1.932 1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.519 -3.118 3.032 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.627 -3.056 4.388 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.725 -5.371 4.689 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.665 -7.231 3.155 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.640 -3.236 0.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.883 -7.684 0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.249 -4.452 -1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.356 -6.645 -1.772 1.00 0.00 H new ATOM 640 N HIS A 396 -15.615 -1.946 2.420 1.00 0.00 N ATOM 641 CA HIS A 396 -17.013 -1.838 2.817 1.00 0.00 C ATOM 642 C HIS A 396 -17.694 -3.198 2.790 1.00 0.00 C ATOM 643 O HIS A 396 -18.013 -3.719 1.717 1.00 0.00 O ATOM 644 CB HIS A 396 -17.762 -0.872 1.894 1.00 0.00 C ATOM 645 CG HIS A 396 -17.519 0.569 2.211 1.00 0.00 C ATOM 646 ND1 HIS A 396 -16.992 1.567 1.463 1.00 0.00 N flip ATOM 647 CD2 HIS A 396 -17.839 1.134 3.428 1.00 0.00 C flip ATOM 648 CE1 HIS A 396 -17.004 2.703 2.235 1.00 0.00 C flip ATOM 649 NE2 HIS A 396 -17.520 2.415 3.415 1.00 0.00 N flip ATOM 0 H HIS A 396 -15.472 -2.250 1.457 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.039 -1.453 3.836 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.465 -1.064 0.863 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.831 -1.075 1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -18.282 0.610 4.262 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.649 3.675 1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -17.650 3.070 4.186 1.00 0.00 H new ATOM 658 N ASN A 397 -17.930 -3.764 3.973 1.00 0.00 N ATOM 659 CA ASN A 397 -18.595 -5.054 4.067 1.00 0.00 C ATOM 660 C ASN A 397 -20.088 -4.867 3.841 1.00 0.00 C ATOM 661 O ASN A 397 -20.858 -4.718 4.790 1.00 0.00 O ATOM 662 CB ASN A 397 -18.342 -5.690 5.437 1.00 0.00 C ATOM 663 CG ASN A 397 -18.945 -7.076 5.556 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.159 -7.249 5.450 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.098 -8.073 5.780 1.00 0.00 N ATOM 0 H ASN A 397 -17.672 -3.351 4.869 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.193 -5.720 3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.268 -5.749 5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.758 -5.049 6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.446 -9.027 5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.099 -7.885 5.861 1.00 0.00 H new ATOM 672 N ASP A 398 -20.470 -4.869 2.565 1.00 0.00 N ATOM 673 CA ASP A 398 -21.856 -4.687 2.137 1.00 0.00 C ATOM 674 C ASP A 398 -21.872 -4.290 0.664 1.00 0.00 C ATOM 675 O ASP A 398 -21.240 -4.944 -0.160 1.00 0.00 O ATOM 676 CB ASP A 398 -22.569 -3.620 2.984 1.00 0.00 C ATOM 677 CG ASP A 398 -21.882 -2.268 2.926 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.694 -2.184 3.304 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.535 -1.290 2.502 1.00 0.00 O ATOM 0 H ASP A 398 -19.819 -4.998 1.791 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.392 -5.626 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.597 -3.515 2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.614 -3.955 4.020 1.00 0.00 H new ATOM 684 N ALA A 399 -22.570 -3.206 0.334 1.00 0.00 N ATOM 685 CA ALA A 399 -22.628 -2.727 -1.039 1.00 0.00 C ATOM 686 C ALA A 399 -23.098 -3.824 -1.992 1.00 0.00 C ATOM 687 O ALA A 399 -23.841 -4.723 -1.598 1.00 0.00 O ATOM 688 CB ALA A 399 -21.257 -2.198 -1.455 1.00 0.00 C ATOM 0 H ALA A 399 -23.102 -2.645 1.000 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.356 -1.917 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.302 -1.840 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.969 -1.378 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.521 -2.998 -1.382 1.00 0.00 H new ATOM 694 N GLU A 400 -22.663 -3.745 -3.247 1.00 0.00 N ATOM 695 CA GLU A 400 -23.040 -4.731 -4.255 1.00 0.00 C ATOM 696 C GLU A 400 -22.024 -5.868 -4.316 1.00 0.00 C ATOM 697 O GLU A 400 -21.240 -5.956 -5.262 1.00 0.00 O ATOM 698 CB GLU A 400 -23.172 -4.069 -5.628 1.00 0.00 C ATOM 699 CG GLU A 400 -23.635 -5.020 -6.722 1.00 0.00 C ATOM 700 CD GLU A 400 -23.737 -4.346 -8.076 1.00 0.00 C ATOM 701 OE1 GLU A 400 -22.706 -3.844 -8.569 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.849 -4.322 -8.644 1.00 0.00 O ATOM 0 H GLU A 400 -22.048 -3.007 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.005 -5.149 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.877 -3.241 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -22.209 -3.644 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.940 -5.857 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.607 -5.433 -6.452 1.00 0.00 H new ATOM 709 N ASN A 401 -22.032 -6.721 -3.287 1.00 0.00 N ATOM 710 CA ASN A 401 -21.110 -7.849 -3.196 1.00 0.00 C ATOM 711 C ASN A 401 -19.749 -7.359 -2.733 1.00 0.00 C ATOM 712 O ASN A 401 -18.712 -7.721 -3.290 1.00 0.00 O ATOM 713 CB ASN A 401 -20.989 -8.589 -4.536 1.00 0.00 C ATOM 714 CG ASN A 401 -22.324 -9.100 -5.055 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.397 -8.856 -4.308 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -22.390 -9.710 -6.121 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.676 -6.647 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.506 -8.557 -2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.550 -7.920 -5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.305 -9.429 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.544 -9.878 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.291 -10.048 -6.460 1.00 0.00 H new ATOM 723 N LYS A 402 -19.787 -6.520 -1.704 1.00 0.00 N ATOM 724 CA LYS A 402 -18.581 -5.934 -1.117 1.00 0.00 C ATOM 725 C LYS A 402 -17.941 -4.943 -2.085 1.00 0.00 C ATOM 726 O LYS A 402 -17.808 -5.227 -3.276 1.00 0.00 O ATOM 727 CB LYS A 402 -17.580 -7.027 -0.739 1.00 0.00 C ATOM 728 CG LYS A 402 -18.141 -8.069 0.215 1.00 0.00 C ATOM 729 CD LYS A 402 -18.562 -7.450 1.538 1.00 0.00 C ATOM 730 CE LYS A 402 -19.100 -8.501 2.498 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.280 -9.213 1.934 1.00 0.00 N ATOM 0 H LYS A 402 -20.652 -6.225 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.868 -5.399 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.240 -7.525 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.705 -6.564 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.998 -8.561 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.391 -8.839 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.710 -6.943 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.326 -6.693 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.315 -9.222 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.378 -8.026 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.750 -9.756 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.947 -8.520 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.968 -9.861 1.182 1.00 0.00 H new ATOM 745 N LYS A 403 -17.560 -3.771 -1.576 1.00 0.00 N ATOM 746 CA LYS A 403 -16.956 -2.744 -2.420 1.00 0.00 C ATOM 747 C LYS A 403 -15.877 -1.944 -1.689 1.00 0.00 C ATOM 748 O LYS A 403 -16.071 -1.504 -0.556 1.00 0.00 O ATOM 749 CB LYS A 403 -18.038 -1.793 -2.926 1.00 0.00 C ATOM 750 CG LYS A 403 -19.014 -2.442 -3.893 1.00 0.00 C ATOM 751 CD LYS A 403 -18.399 -2.639 -5.270 1.00 0.00 C ATOM 752 CE LYS A 403 -18.045 -1.308 -5.919 1.00 0.00 C ATOM 753 NZ LYS A 403 -17.454 -1.488 -7.274 1.00 0.00 N ATOM 0 H LYS A 403 -17.658 -3.512 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.476 -3.254 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.592 -1.399 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.563 -0.944 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.332 -3.406 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.907 -1.822 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.503 -3.253 -5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.097 -3.181 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.941 -0.691 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.340 -0.771 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -17.228 -0.558 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -16.585 -2.055 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -18.136 -1.977 -7.888 1.00 0.00 H new ATOM 767 N CYS A 404 -14.749 -1.740 -2.368 1.00 0.00 N ATOM 768 CA CYS A 404 -13.636 -0.968 -1.817 1.00 0.00 C ATOM 769 C CYS A 404 -13.702 0.472 -2.329 1.00 0.00 C ATOM 770 O CYS A 404 -13.957 0.700 -3.511 1.00 0.00 O ATOM 771 CB CYS A 404 -12.298 -1.605 -2.215 1.00 0.00 C ATOM 772 SG CYS A 404 -10.826 -0.697 -1.637 1.00 0.00 S ATOM 0 H CYS A 404 -14.581 -2.101 -3.307 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.712 -0.966 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.262 -2.620 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.257 -1.684 -3.301 1.00 0.00 H new ATOM 777 N THR A 405 -13.486 1.442 -1.442 1.00 0.00 N ATOM 778 CA THR A 405 -13.541 2.850 -1.831 1.00 0.00 C ATOM 779 C THR A 405 -12.477 3.682 -1.120 1.00 0.00 C ATOM 780 O THR A 405 -12.203 3.484 0.063 1.00 0.00 O ATOM 781 CB THR A 405 -14.923 3.463 -1.535 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.199 3.394 -0.131 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.017 2.738 -2.307 1.00 0.00 C ATOM 0 H THR A 405 -13.273 1.281 -0.458 1.00 0.00 H new ATOM 0 HA THR A 405 -13.352 2.873 -2.904 1.00 0.00 H new ATOM 0 HB THR A 405 -14.907 4.506 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.708 2.579 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.983 3.190 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.821 2.817 -3.376 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.031 1.687 -2.018 1.00 0.00 H new ATOM 791 N LEU A 406 -11.885 4.617 -1.860 1.00 0.00 N ATOM 792 CA LEU A 406 -10.850 5.494 -1.326 1.00 0.00 C ATOM 793 C LEU A 406 -11.441 6.495 -0.344 1.00 0.00 C ATOM 794 O LEU A 406 -12.547 7.001 -0.540 1.00 0.00 O ATOM 795 CB LEU A 406 -10.144 6.228 -2.471 1.00 0.00 C ATOM 796 CG LEU A 406 -8.850 6.968 -2.104 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.144 8.278 -1.391 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.949 6.086 -1.251 1.00 0.00 C ATOM 0 H LEU A 406 -12.109 4.786 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.122 4.883 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.915 5.504 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.842 6.948 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.328 7.202 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.207 8.777 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.738 8.921 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.699 8.077 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.038 6.630 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.470 5.813 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.693 5.183 -1.806 1.00 0.00 H new ATOM 810 N ASP A 407 -10.683 6.786 0.702 1.00 0.00 N ATOM 811 CA ASP A 407 -11.107 7.740 1.717 1.00 0.00 C ATOM 812 C ASP A 407 -10.101 8.880 1.797 1.00 0.00 C ATOM 813 O ASP A 407 -8.899 8.646 1.896 1.00 0.00 O ATOM 814 CB ASP A 407 -11.240 7.049 3.077 1.00 0.00 C ATOM 815 CG ASP A 407 -11.820 7.961 4.141 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.210 9.012 4.423 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.889 7.622 4.693 1.00 0.00 O ATOM 0 H ASP A 407 -9.766 6.373 0.871 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.082 8.143 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.875 6.169 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.260 6.698 3.400 1.00 0.00 H new ATOM 822 N LYS A 408 -10.594 10.111 1.730 1.00 0.00 N ATOM 823 CA LYS A 408 -9.725 11.281 1.773 1.00 0.00 C ATOM 824 C LYS A 408 -8.984 11.388 3.101 1.00 0.00 C ATOM 825 O LYS A 408 -7.762 11.526 3.125 1.00 0.00 O ATOM 826 CB LYS A 408 -10.538 12.551 1.527 1.00 0.00 C ATOM 827 CG LYS A 408 -11.200 12.595 0.159 1.00 0.00 C ATOM 828 CD LYS A 408 -10.168 12.646 -0.958 1.00 0.00 C ATOM 829 CE LYS A 408 -10.831 12.644 -2.327 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.632 11.409 -2.553 1.00 0.00 N ATOM 0 H LYS A 408 -11.588 10.325 1.646 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.981 11.166 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.306 12.635 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.884 13.417 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.833 11.717 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.850 13.468 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.556 13.542 -0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.498 11.790 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.476 13.518 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.068 12.729 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.855 11.320 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.085 10.580 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.516 11.464 -2.007 1.00 0.00 H new ATOM 844 N GLU A 409 -9.725 11.331 4.204 1.00 0.00 N ATOM 845 CA GLU A 409 -9.128 11.430 5.533 1.00 0.00 C ATOM 846 C GLU A 409 -8.058 10.362 5.735 1.00 0.00 C ATOM 847 O GLU A 409 -6.926 10.665 6.120 1.00 0.00 O ATOM 848 CB GLU A 409 -10.207 11.297 6.609 1.00 0.00 C ATOM 849 CG GLU A 409 -11.313 12.336 6.499 1.00 0.00 C ATOM 850 CD GLU A 409 -10.813 13.755 6.692 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.976 14.209 5.882 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.259 14.414 7.655 1.00 0.00 O ATOM 0 H GLU A 409 -10.739 11.217 4.204 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.656 12.409 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.648 10.302 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.740 11.379 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.786 12.253 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.080 12.122 7.243 1.00 0.00 H new ATOM 859 N GLU A 410 -8.423 9.115 5.466 1.00 0.00 N ATOM 860 CA GLU A 410 -7.496 8.000 5.612 1.00 0.00 C ATOM 861 C GLU A 410 -6.307 8.165 4.672 1.00 0.00 C ATOM 862 O GLU A 410 -5.170 7.895 5.049 1.00 0.00 O ATOM 863 CB GLU A 410 -8.210 6.673 5.342 1.00 0.00 C ATOM 864 CG GLU A 410 -9.373 6.411 6.286 1.00 0.00 C ATOM 865 CD GLU A 410 -10.023 5.060 6.058 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.546 4.313 5.178 1.00 0.00 O ATOM 867 OE2 GLU A 410 -11.005 4.747 6.762 1.00 0.00 O ATOM 0 H GLU A 410 -9.354 8.850 5.146 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.126 7.993 6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.577 6.668 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.491 5.858 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.020 6.470 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -10.120 7.194 6.160 1.00 0.00 H new ATOM 874 N ALA A 411 -6.580 8.618 3.454 1.00 0.00 N ATOM 875 CA ALA A 411 -5.532 8.833 2.462 1.00 0.00 C ATOM 876 C ALA A 411 -4.508 9.840 2.969 1.00 0.00 C ATOM 877 O ALA A 411 -3.308 9.691 2.746 1.00 0.00 O ATOM 878 CB ALA A 411 -6.137 9.315 1.152 1.00 0.00 C ATOM 0 H ALA A 411 -7.520 8.844 3.129 1.00 0.00 H new ATOM 0 HA ALA A 411 -5.025 7.884 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.344 9.471 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.835 8.566 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.667 10.253 1.319 1.00 0.00 H new ATOM 884 N LYS A 412 -4.995 10.864 3.656 1.00 0.00 N ATOM 885 CA LYS A 412 -4.127 11.895 4.203 1.00 0.00 C ATOM 886 C LYS A 412 -3.126 11.286 5.178 1.00 0.00 C ATOM 887 O LYS A 412 -1.926 11.542 5.094 1.00 0.00 O ATOM 888 CB LYS A 412 -4.965 12.960 4.910 1.00 0.00 C ATOM 889 CG LYS A 412 -5.873 13.738 3.973 1.00 0.00 C ATOM 890 CD LYS A 412 -6.839 14.623 4.743 1.00 0.00 C ATOM 891 CE LYS A 412 -7.718 15.436 3.807 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.520 14.566 2.904 1.00 0.00 N ATOM 0 H LYS A 412 -5.987 11.002 3.847 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.577 12.359 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.573 12.482 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.299 13.657 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.269 14.352 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.434 13.043 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.465 14.005 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.279 15.295 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.387 16.066 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.095 16.102 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -9.143 15.156 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.882 14.020 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -9.096 13.913 3.473 1.00 0.00 H new