USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 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= 0.302 K(o=0.53,f=-3) USER MOD Set 1.2: A 405 THR OG1 : rot 141:sc= 0.228 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.86 F(o=-4!,f=-0.86) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= -2.04! C(o=-2!,f=-2!) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.358 F(o=-2.1!,f=-0.36) USER MOD Single : A 390 LYS NZ :NH3+ 147:sc= -0.452 (180deg=-0.834) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -172:sc= 0.066 (180deg=-0.0337) USER MOD Single : A 397 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.8!) USER MOD Single : A 401 ASN : amide:sc= -0.721 X(o=-0.72,f=-0.47) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ -166:sc= -0.0205 (180deg=-0.292) 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 -3.231 5.853 -2.930 1.00 0.00 N ATOM 340 CA GLU A 376 -3.904 5.840 -4.222 1.00 0.00 C ATOM 341 C GLU A 376 -5.069 6.830 -4.255 1.00 0.00 C ATOM 342 O GLU A 376 -5.059 7.836 -3.545 1.00 0.00 O ATOM 343 CB GLU A 376 -4.388 4.421 -4.520 1.00 0.00 C ATOM 344 CG GLU A 376 -3.270 3.391 -4.497 1.00 0.00 C ATOM 345 CD GLU A 376 -2.213 3.647 -5.558 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.526 4.685 -5.476 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.077 2.807 -6.473 1.00 0.00 O ATOM 0 HA GLU A 376 -3.197 6.152 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.146 4.141 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.868 4.405 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.800 3.394 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.694 2.398 -4.645 1.00 0.00 H new ATOM 354 N THR A 377 -6.067 6.553 -5.092 1.00 0.00 N ATOM 355 CA THR A 377 -7.217 7.437 -5.218 1.00 0.00 C ATOM 356 C THR A 377 -8.506 6.659 -5.442 1.00 0.00 C ATOM 357 O THR A 377 -8.482 5.453 -5.685 1.00 0.00 O ATOM 358 CB THR A 377 -7.022 8.437 -6.373 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.906 7.734 -7.616 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.776 9.279 -6.144 1.00 0.00 C ATOM 0 H THR A 377 -6.100 5.727 -5.689 1.00 0.00 H new ATOM 0 HA THR A 377 -7.298 7.981 -4.277 1.00 0.00 H new ATOM 0 HB THR A 377 -7.890 9.095 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.784 8.377 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.654 9.980 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.877 9.832 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.903 8.629 -6.088 1.00 0.00 H new ATOM 368 N GLU A 378 -9.630 7.365 -5.341 1.00 0.00 N ATOM 369 CA GLU A 378 -10.947 6.764 -5.517 1.00 0.00 C ATOM 370 C GLU A 378 -10.982 5.871 -6.745 1.00 0.00 C ATOM 371 O GLU A 378 -11.475 4.745 -6.700 1.00 0.00 O ATOM 372 CB GLU A 378 -12.001 7.861 -5.660 1.00 0.00 C ATOM 373 CG GLU A 378 -13.429 7.339 -5.690 1.00 0.00 C ATOM 374 CD GLU A 378 -14.450 8.448 -5.849 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.503 9.335 -4.971 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.195 8.431 -6.850 1.00 0.00 O ATOM 0 H GLU A 378 -9.652 8.364 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.161 6.155 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.897 8.562 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.809 8.420 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.536 6.631 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.632 6.792 -4.769 1.00 0.00 H new ATOM 383 N GLY A 379 -10.460 6.394 -7.842 1.00 0.00 N ATOM 384 CA GLY A 379 -10.439 5.650 -9.083 1.00 0.00 C ATOM 385 C GLY A 379 -9.696 4.335 -8.981 1.00 0.00 C ATOM 386 O GLY A 379 -10.117 3.337 -9.562 1.00 0.00 O ATOM 0 H GLY A 379 -10.048 7.326 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.464 5.457 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.976 6.262 -9.857 1.00 0.00 H new ATOM 390 N SER A 380 -8.587 4.330 -8.252 1.00 0.00 N ATOM 391 CA SER A 380 -7.792 3.115 -8.099 1.00 0.00 C ATOM 392 C SER A 380 -8.467 2.111 -7.168 1.00 0.00 C ATOM 393 O SER A 380 -8.548 0.920 -7.472 1.00 0.00 O ATOM 394 CB SER A 380 -6.404 3.457 -7.575 1.00 0.00 C ATOM 395 OG SER A 380 -5.617 2.289 -7.413 1.00 0.00 O ATOM 0 H SER A 380 -8.219 5.145 -7.761 1.00 0.00 H new ATOM 0 HA SER A 380 -7.705 2.653 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.909 4.140 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.490 3.976 -6.621 1.00 0.00 H new ATOM 0 HG SER A 380 -4.730 2.536 -7.077 1.00 0.00 H new ATOM 401 N CYS A 381 -8.938 2.600 -6.027 1.00 0.00 N ATOM 402 CA CYS A 381 -9.590 1.752 -5.034 1.00 0.00 C ATOM 403 C CYS A 381 -10.806 1.025 -5.601 1.00 0.00 C ATOM 404 O CYS A 381 -10.975 -0.174 -5.379 1.00 0.00 O ATOM 405 CB CYS A 381 -9.996 2.589 -3.824 1.00 0.00 C ATOM 406 SG CYS A 381 -8.585 3.255 -2.889 1.00 0.00 S ATOM 0 H CYS A 381 -8.880 3.584 -5.765 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.871 0.990 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.622 3.416 -4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.606 1.978 -3.158 1.00 0.00 H new ATOM 411 N ASN A 382 -11.653 1.750 -6.324 1.00 0.00 N ATOM 412 CA ASN A 382 -12.852 1.160 -6.911 1.00 0.00 C ATOM 413 C ASN A 382 -12.500 -0.066 -7.745 1.00 0.00 C ATOM 414 O ASN A 382 -13.283 -1.011 -7.842 1.00 0.00 O ATOM 415 CB ASN A 382 -13.584 2.182 -7.783 1.00 0.00 C ATOM 416 CG ASN A 382 -14.022 3.413 -7.009 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.673 3.471 -5.728 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.666 4.305 -7.561 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.533 2.744 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.507 0.854 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.932 2.487 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.459 1.710 -8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.913 4.220 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.953 5.129 -7.032 1.00 0.00 H new ATOM 425 N LYS A 383 -11.322 -0.032 -8.354 1.00 0.00 N ATOM 426 CA LYS A 383 -10.861 -1.127 -9.194 1.00 0.00 C ATOM 427 C LYS A 383 -10.382 -2.313 -8.359 1.00 0.00 C ATOM 428 O LYS A 383 -10.566 -3.466 -8.748 1.00 0.00 O ATOM 429 CB LYS A 383 -9.734 -0.641 -10.108 1.00 0.00 C ATOM 430 CG LYS A 383 -10.066 0.647 -10.846 1.00 0.00 C ATOM 431 CD LYS A 383 -11.325 0.510 -11.688 1.00 0.00 C ATOM 432 CE LYS A 383 -11.637 1.794 -12.441 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.878 1.675 -13.254 1.00 0.00 N ATOM 0 H LYS A 383 -10.667 0.746 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.703 -1.464 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.834 -0.488 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.506 -1.419 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.197 1.455 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.229 0.924 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.202 -0.308 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.167 0.250 -11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.746 2.614 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.800 2.045 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.055 2.571 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.765 0.910 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.682 1.461 -12.630 1.00 0.00 H new ATOM 447 N LYS A 384 -9.743 -2.024 -7.226 1.00 0.00 N ATOM 448 CA LYS A 384 -9.213 -3.055 -6.356 1.00 0.00 C ATOM 449 C LYS A 384 -10.260 -4.081 -5.951 1.00 0.00 C ATOM 450 O LYS A 384 -11.432 -3.992 -6.318 1.00 0.00 O ATOM 451 CB LYS A 384 -8.623 -2.416 -5.106 1.00 0.00 C ATOM 452 CG LYS A 384 -7.675 -1.275 -5.411 1.00 0.00 C ATOM 453 CD LYS A 384 -6.499 -1.723 -6.264 1.00 0.00 C ATOM 454 CE LYS A 384 -6.790 -1.589 -7.751 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.576 -1.827 -8.580 1.00 0.00 N ATOM 0 H LYS A 384 -9.583 -1.073 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.443 -3.582 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.433 -2.048 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.093 -3.177 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.216 -0.482 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.305 -0.852 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.621 -1.129 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.259 -2.761 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.567 -2.299 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.179 -0.592 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.818 -1.726 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.843 -1.134 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.219 -2.788 -8.404 1.00 0.00 H new ATOM 469 N ASP A 385 -9.806 -5.044 -5.166 1.00 0.00 N ATOM 470 CA ASP A 385 -10.651 -6.115 -4.650 1.00 0.00 C ATOM 471 C ASP A 385 -10.407 -6.273 -3.156 1.00 0.00 C ATOM 472 O ASP A 385 -9.616 -5.535 -2.582 1.00 0.00 O ATOM 473 CB ASP A 385 -10.349 -7.434 -5.368 1.00 0.00 C ATOM 474 CG ASP A 385 -10.693 -7.398 -6.847 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.231 -6.371 -7.310 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.431 -8.402 -7.540 1.00 0.00 O ATOM 0 H ASP A 385 -8.833 -5.107 -4.865 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.695 -5.858 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.291 -7.670 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.909 -8.238 -4.890 1.00 0.00 H new ATOM 481 N GLN A 386 -11.076 -7.233 -2.527 1.00 0.00 N ATOM 482 CA GLN A 386 -10.903 -7.456 -1.094 1.00 0.00 C ATOM 483 C GLN A 386 -9.422 -7.567 -0.748 1.00 0.00 C ATOM 484 O GLN A 386 -8.921 -6.856 0.123 1.00 0.00 O ATOM 485 CB GLN A 386 -11.650 -8.724 -0.660 1.00 0.00 C ATOM 486 CG GLN A 386 -11.685 -8.942 0.847 1.00 0.00 C ATOM 487 CD GLN A 386 -10.327 -9.286 1.430 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.717 -10.290 1.062 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.847 -8.452 2.345 1.00 0.00 N ATOM 0 H GLN A 386 -11.737 -7.864 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.320 -6.605 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.673 -8.675 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.180 -9.588 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -12.063 -8.041 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.386 -9.745 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.387 -7.631 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.939 -8.632 2.773 1.00 0.00 H new ATOM 498 N ASN A 387 -8.727 -8.455 -1.444 1.00 0.00 N ATOM 499 CA ASN A 387 -7.303 -8.660 -1.222 1.00 0.00 C ATOM 500 C ASN A 387 -6.499 -7.441 -1.674 1.00 0.00 C ATOM 501 O ASN A 387 -5.443 -7.141 -1.115 1.00 0.00 O ATOM 502 CB ASN A 387 -6.830 -9.908 -1.975 1.00 0.00 C ATOM 503 CG ASN A 387 -5.394 -10.286 -1.666 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.814 -9.657 -0.651 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -4.817 -11.152 -2.321 1.00 0.00 N flip ATOM 0 H ASN A 387 -9.129 -9.048 -2.171 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.140 -8.801 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.481 -10.745 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.931 -9.737 -3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.298 -11.612 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -3.857 -11.410 -2.091 1.00 0.00 H new ATOM 512 N GLU A 388 -6.997 -6.749 -2.697 1.00 0.00 N ATOM 513 CA GLU A 388 -6.313 -5.575 -3.231 1.00 0.00 C ATOM 514 C GLU A 388 -6.785 -4.286 -2.568 1.00 0.00 C ATOM 515 O GLU A 388 -6.322 -3.201 -2.920 1.00 0.00 O ATOM 516 CB GLU A 388 -6.518 -5.489 -4.745 1.00 0.00 C ATOM 517 CG GLU A 388 -5.995 -6.700 -5.498 1.00 0.00 C ATOM 518 CD GLU A 388 -6.204 -6.591 -6.996 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.370 -6.466 -7.426 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.200 -6.630 -7.739 1.00 0.00 O ATOM 0 H GLU A 388 -7.870 -6.981 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.251 -5.689 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.582 -5.373 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.020 -4.595 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.932 -6.820 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.495 -7.596 -5.130 1.00 0.00 H new ATOM 527 N CYS A 389 -7.700 -4.396 -1.608 1.00 0.00 N ATOM 528 CA CYS A 389 -8.201 -3.215 -0.920 1.00 0.00 C ATOM 529 C CYS A 389 -7.061 -2.570 -0.141 1.00 0.00 C ATOM 530 O CYS A 389 -6.683 -3.034 0.935 1.00 0.00 O ATOM 531 CB CYS A 389 -9.363 -3.581 0.006 1.00 0.00 C ATOM 532 SG CYS A 389 -10.427 -2.168 0.443 1.00 0.00 S ATOM 0 H CYS A 389 -8.103 -5.279 -1.294 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.580 -2.502 -1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.971 -4.347 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.963 -4.019 0.920 1.00 0.00 H new ATOM 537 N LYS A 390 -6.491 -1.523 -0.724 1.00 0.00 N ATOM 538 CA LYS A 390 -5.356 -0.824 -0.133 1.00 0.00 C ATOM 539 C LYS A 390 -5.742 -0.025 1.111 1.00 0.00 C ATOM 540 O LYS A 390 -6.910 0.303 1.321 1.00 0.00 O ATOM 541 CB LYS A 390 -4.711 0.070 -1.183 1.00 0.00 C ATOM 542 CG LYS A 390 -4.297 -0.701 -2.429 1.00 0.00 C ATOM 543 CD LYS A 390 -3.643 0.200 -3.462 1.00 0.00 C ATOM 544 CE LYS A 390 -3.212 -0.587 -4.689 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.568 0.283 -5.711 1.00 0.00 N ATOM 0 H LYS A 390 -6.800 -1.136 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.636 -1.572 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.409 0.859 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.836 0.557 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.605 -1.496 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.173 -1.180 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.340 0.984 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.777 0.693 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.517 -1.372 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -4.080 -1.080 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.834 -0.256 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.284 0.608 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.135 1.105 -5.244 1.00 0.00 H new ATOM 559 N SER A 391 -4.740 0.257 1.944 1.00 0.00 N ATOM 560 CA SER A 391 -4.940 0.990 3.194 1.00 0.00 C ATOM 561 C SER A 391 -5.671 2.320 2.986 1.00 0.00 C ATOM 562 O SER A 391 -6.668 2.583 3.658 1.00 0.00 O ATOM 563 CB SER A 391 -3.595 1.235 3.886 1.00 0.00 C ATOM 564 OG SER A 391 -3.769 1.939 5.103 1.00 0.00 O ATOM 0 H SER A 391 -3.772 -0.015 1.773 1.00 0.00 H new ATOM 0 HA SER A 391 -5.573 0.369 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.104 0.282 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.940 1.802 3.225 1.00 0.00 H new ATOM 0 HG SER A 391 -2.897 2.082 5.526 1.00 0.00 H new ATOM 570 N PRO A 392 -5.204 3.182 2.057 1.00 0.00 N ATOM 571 CA PRO A 392 -5.849 4.468 1.798 1.00 0.00 C ATOM 572 C PRO A 392 -7.320 4.291 1.456 1.00 0.00 C ATOM 573 O PRO A 392 -8.150 5.154 1.746 1.00 0.00 O ATOM 574 CB PRO A 392 -5.076 5.029 0.597 1.00 0.00 C ATOM 575 CG PRO A 392 -4.339 3.877 0.026 1.00 0.00 C ATOM 576 CD PRO A 392 -4.036 2.991 1.186 1.00 0.00 C ATOM 0 HA PRO A 392 -5.826 5.127 2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.754 5.464 -0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.391 5.819 0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.939 3.357 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.425 4.202 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.925 1.950 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.110 3.279 1.683 1.00 0.00 H new ATOM 584 N CYS A 393 -7.629 3.159 0.835 1.00 0.00 N ATOM 585 CA CYS A 393 -8.992 2.839 0.440 1.00 0.00 C ATOM 586 C CYS A 393 -9.890 2.647 1.660 1.00 0.00 C ATOM 587 O CYS A 393 -9.593 3.131 2.752 1.00 0.00 O ATOM 588 CB CYS A 393 -8.988 1.568 -0.408 1.00 0.00 C ATOM 589 SG CYS A 393 -7.897 1.649 -1.864 1.00 0.00 S ATOM 0 H CYS A 393 -6.945 2.442 0.593 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.389 3.671 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.681 0.729 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.005 1.363 -0.741 1.00 0.00 H new ATOM 594 N LYS A 394 -10.985 1.927 1.459 1.00 0.00 N ATOM 595 CA LYS A 394 -11.937 1.647 2.526 1.00 0.00 C ATOM 596 C LYS A 394 -12.850 0.502 2.121 1.00 0.00 C ATOM 597 O LYS A 394 -13.577 0.589 1.128 1.00 0.00 O ATOM 598 CB LYS A 394 -12.766 2.892 2.854 1.00 0.00 C ATOM 599 CG LYS A 394 -13.829 2.653 3.916 1.00 0.00 C ATOM 600 CD LYS A 394 -14.636 3.909 4.197 1.00 0.00 C ATOM 601 CE LYS A 394 -13.770 5.002 4.796 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.202 4.603 6.113 1.00 0.00 N ATOM 0 H LYS A 394 -11.238 1.522 0.557 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.381 1.361 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.098 3.684 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.248 3.248 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.498 1.857 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.354 2.312 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.088 4.267 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.452 3.674 4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.959 5.240 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.362 5.909 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.731 5.421 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.967 4.271 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.511 3.838 5.976 1.00 0.00 H new ATOM 616 N TRP A 395 -12.794 -0.578 2.891 1.00 0.00 N ATOM 617 CA TRP A 395 -13.601 -1.755 2.614 1.00 0.00 C ATOM 618 C TRP A 395 -15.047 -1.544 3.047 1.00 0.00 C ATOM 619 O TRP A 395 -15.313 -0.974 4.106 1.00 0.00 O ATOM 620 CB TRP A 395 -13.014 -2.976 3.322 1.00 0.00 C ATOM 621 CG TRP A 395 -13.609 -4.271 2.860 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.202 -5.225 3.635 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.655 -4.759 1.514 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.622 -6.274 2.853 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.296 -6.012 1.547 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.220 -4.257 0.283 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.511 -6.768 0.398 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.435 -5.009 -0.856 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.075 -6.252 -0.791 1.00 0.00 C ATOM 0 H TRP A 395 -12.196 -0.661 3.713 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.590 -1.926 1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.937 -3.000 3.158 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.170 -2.875 4.396 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.323 -5.164 4.706 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.098 -7.111 3.189 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.725 -3.299 0.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.004 -7.728 0.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.104 -4.631 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.228 -6.816 -1.699 1.00 0.00 H new ATOM 640 N HIS A 396 -15.977 -2.017 2.225 1.00 0.00 N ATOM 641 CA HIS A 396 -17.399 -1.888 2.524 1.00 0.00 C ATOM 642 C HIS A 396 -18.089 -3.244 2.482 1.00 0.00 C ATOM 643 O HIS A 396 -18.443 -3.738 1.408 1.00 0.00 O ATOM 644 CB HIS A 396 -18.070 -0.933 1.535 1.00 0.00 C ATOM 645 CG HIS A 396 -17.717 0.504 1.759 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.994 1.172 2.935 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.107 1.403 0.952 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.570 2.420 2.840 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.028 2.585 1.647 1.00 0.00 N ATOM 0 H HIS A 396 -15.772 -2.493 1.347 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.494 -1.481 3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.786 -1.215 0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.151 -1.049 1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.749 1.224 -0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.653 3.176 3.607 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.617 3.451 1.298 1.00 0.00 H new ATOM 658 N ASN A 397 -18.288 -3.835 3.658 1.00 0.00 N ATOM 659 CA ASN A 397 -18.949 -5.130 3.764 1.00 0.00 C ATOM 660 C ASN A 397 -20.459 -4.940 3.874 1.00 0.00 C ATOM 661 O ASN A 397 -21.005 -4.849 4.973 1.00 0.00 O ATOM 662 CB ASN A 397 -18.425 -5.896 4.981 1.00 0.00 C ATOM 663 CG ASN A 397 -19.026 -7.284 5.100 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.239 -7.439 5.238 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.175 -8.302 5.046 1.00 0.00 N ATOM 0 H ASN A 397 -18.000 -3.436 4.551 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.730 -5.709 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.340 -5.978 4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.647 -5.329 5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.520 -9.259 5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.177 -8.127 4.931 1.00 0.00 H new ATOM 672 N ASP A 398 -21.120 -4.877 2.721 1.00 0.00 N ATOM 673 CA ASP A 398 -22.567 -4.690 2.656 1.00 0.00 C ATOM 674 C ASP A 398 -23.004 -4.517 1.209 1.00 0.00 C ATOM 675 O ASP A 398 -24.079 -4.964 0.810 1.00 0.00 O ATOM 676 CB ASP A 398 -22.995 -3.468 3.473 1.00 0.00 C ATOM 677 CG ASP A 398 -24.491 -3.231 3.422 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.250 -4.131 3.840 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.906 -2.145 2.965 1.00 0.00 O ATOM 0 H ASP A 398 -20.670 -4.954 1.809 1.00 0.00 H new ATOM 0 HA ASP A 398 -23.045 -5.574 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.687 -3.602 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.477 -2.585 3.098 1.00 0.00 H new ATOM 684 N ALA A 399 -22.148 -3.858 0.432 1.00 0.00 N ATOM 685 CA ALA A 399 -22.412 -3.606 -0.979 1.00 0.00 C ATOM 686 C ALA A 399 -22.826 -4.883 -1.704 1.00 0.00 C ATOM 687 O ALA A 399 -22.473 -5.985 -1.283 1.00 0.00 O ATOM 688 CB ALA A 399 -21.181 -2.997 -1.636 1.00 0.00 C ATOM 0 H ALA A 399 -21.257 -3.486 0.762 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.241 -2.902 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.386 -2.811 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.933 -2.057 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.342 -3.686 -1.545 1.00 0.00 H new ATOM 694 N GLU A 400 -23.579 -4.720 -2.789 1.00 0.00 N ATOM 695 CA GLU A 400 -24.054 -5.852 -3.584 1.00 0.00 C ATOM 696 C GLU A 400 -22.940 -6.868 -3.811 1.00 0.00 C ATOM 697 O GLU A 400 -23.187 -8.074 -3.862 1.00 0.00 O ATOM 698 CB GLU A 400 -24.595 -5.359 -4.927 1.00 0.00 C ATOM 699 CG GLU A 400 -25.140 -6.468 -5.813 1.00 0.00 C ATOM 700 CD GLU A 400 -25.660 -5.949 -7.139 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.587 -5.113 -7.127 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.140 -6.378 -8.190 1.00 0.00 O ATOM 0 H GLU A 400 -23.875 -3.809 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.855 -6.343 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.385 -4.631 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.799 -4.839 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.355 -7.201 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.943 -6.986 -5.289 1.00 0.00 H new ATOM 709 N ASN A 401 -21.714 -6.373 -3.946 1.00 0.00 N ATOM 710 CA ASN A 401 -20.558 -7.235 -4.165 1.00 0.00 C ATOM 711 C ASN A 401 -19.331 -6.658 -3.472 1.00 0.00 C ATOM 712 O ASN A 401 -18.204 -6.821 -3.942 1.00 0.00 O ATOM 713 CB ASN A 401 -20.287 -7.372 -5.661 1.00 0.00 C ATOM 714 CG ASN A 401 -21.509 -7.828 -6.428 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.925 -8.983 -6.336 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.108 -6.906 -7.168 1.00 0.00 N ATOM 0 H ASN A 401 -21.495 -5.378 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.771 -8.219 -3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -19.950 -6.414 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -19.476 -8.084 -5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.951 -7.141 -7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.726 -5.961 -7.213 1.00 0.00 H new ATOM 723 N LYS A 402 -19.567 -5.981 -2.351 1.00 0.00 N ATOM 724 CA LYS A 402 -18.494 -5.363 -1.572 1.00 0.00 C ATOM 725 C LYS A 402 -17.821 -4.250 -2.370 1.00 0.00 C ATOM 726 O LYS A 402 -17.631 -4.370 -3.581 1.00 0.00 O ATOM 727 CB LYS A 402 -17.456 -6.405 -1.143 1.00 0.00 C ATOM 728 CG LYS A 402 -17.976 -7.436 -0.148 1.00 0.00 C ATOM 729 CD LYS A 402 -18.961 -8.402 -0.791 1.00 0.00 C ATOM 730 CE LYS A 402 -19.456 -9.438 0.206 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.407 -10.398 -0.420 1.00 0.00 N ATOM 0 H LYS A 402 -20.499 -5.845 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.939 -4.932 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.092 -6.924 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.602 -5.890 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.137 -7.996 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.460 -6.925 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.809 -7.846 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.483 -8.904 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.606 -9.983 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.944 -8.935 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.722 -11.088 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -21.230 -9.881 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.934 -10.897 -1.200 1.00 0.00 H new ATOM 745 N LYS A 403 -17.473 -3.158 -1.695 1.00 0.00 N ATOM 746 CA LYS A 403 -16.837 -2.030 -2.369 1.00 0.00 C ATOM 747 C LYS A 403 -15.645 -1.485 -1.585 1.00 0.00 C ATOM 748 O LYS A 403 -15.738 -1.224 -0.386 1.00 0.00 O ATOM 749 CB LYS A 403 -17.858 -0.916 -2.597 1.00 0.00 C ATOM 750 CG LYS A 403 -18.985 -1.308 -3.543 1.00 0.00 C ATOM 751 CD LYS A 403 -18.484 -1.513 -4.965 1.00 0.00 C ATOM 752 CE LYS A 403 -17.969 -0.217 -5.572 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.029 0.827 -5.634 1.00 0.00 N ATOM 0 H LYS A 403 -17.618 -3.030 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.462 -2.393 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.285 -0.624 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.346 -0.041 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.455 -2.225 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.752 -0.533 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.688 -2.257 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.291 -1.908 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.130 0.152 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.592 -0.411 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.719 1.600 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.905 0.410 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.204 1.201 -4.680 1.00 0.00 H new ATOM 767 N CYS A 404 -14.529 -1.299 -2.287 1.00 0.00 N ATOM 768 CA CYS A 404 -13.309 -0.763 -1.688 1.00 0.00 C ATOM 769 C CYS A 404 -13.082 0.667 -2.170 1.00 0.00 C ATOM 770 O CYS A 404 -12.269 0.907 -3.059 1.00 0.00 O ATOM 771 CB CYS A 404 -12.103 -1.634 -2.055 1.00 0.00 C ATOM 772 SG CYS A 404 -10.540 -1.099 -1.285 1.00 0.00 S ATOM 0 H CYS A 404 -14.445 -1.514 -3.281 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.422 -0.765 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.308 -2.663 -1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.982 -1.631 -3.138 1.00 0.00 H new ATOM 777 N THR A 405 -13.823 1.609 -1.594 1.00 0.00 N ATOM 778 CA THR A 405 -13.719 3.013 -1.983 1.00 0.00 C ATOM 779 C THR A 405 -12.595 3.733 -1.246 1.00 0.00 C ATOM 780 O THR A 405 -12.349 3.481 -0.068 1.00 0.00 O ATOM 781 CB THR A 405 -15.039 3.764 -1.729 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.381 3.696 -0.339 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.167 3.172 -2.563 1.00 0.00 C ATOM 0 H THR A 405 -14.503 1.426 -0.856 1.00 0.00 H new ATOM 0 HA THR A 405 -13.496 3.015 -3.050 1.00 0.00 H new ATOM 0 HB THR A 405 -14.901 4.806 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.753 4.556 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.090 3.718 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.917 3.250 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.303 2.123 -2.299 1.00 0.00 H new ATOM 791 N LEU A 406 -11.923 4.641 -1.951 1.00 0.00 N ATOM 792 CA LEU A 406 -10.834 5.415 -1.375 1.00 0.00 C ATOM 793 C LEU A 406 -11.359 6.331 -0.281 1.00 0.00 C ATOM 794 O LEU A 406 -12.447 6.896 -0.395 1.00 0.00 O ATOM 795 CB LEU A 406 -10.126 6.225 -2.462 1.00 0.00 C ATOM 796 CG LEU A 406 -8.837 6.945 -2.046 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.140 8.164 -1.190 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.891 5.998 -1.317 1.00 0.00 C ATOM 0 H LEU A 406 -12.118 4.857 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.112 4.729 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.891 5.555 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.825 6.969 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.342 7.286 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.207 8.653 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.760 8.860 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.671 7.854 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.986 6.535 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.380 5.613 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.630 5.168 -1.973 1.00 0.00 H new ATOM 810 N ASP A 407 -10.576 6.474 0.774 1.00 0.00 N ATOM 811 CA ASP A 407 -10.950 7.323 1.897 1.00 0.00 C ATOM 812 C ASP A 407 -10.009 8.517 2.010 1.00 0.00 C ATOM 813 O ASP A 407 -8.790 8.355 2.060 1.00 0.00 O ATOM 814 CB ASP A 407 -10.931 6.515 3.195 1.00 0.00 C ATOM 815 CG ASP A 407 -11.363 7.326 4.403 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.756 8.499 4.225 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.315 6.786 5.527 1.00 0.00 O ATOM 0 H ASP A 407 -9.673 6.012 0.879 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.959 7.696 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.588 5.652 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.925 6.131 3.363 1.00 0.00 H new ATOM 822 N LYS A 408 -10.581 9.716 2.042 1.00 0.00 N ATOM 823 CA LYS A 408 -9.804 10.936 2.143 1.00 0.00 C ATOM 824 C LYS A 408 -8.965 10.947 3.417 1.00 0.00 C ATOM 825 O LYS A 408 -7.799 11.339 3.402 1.00 0.00 O ATOM 826 CB LYS A 408 -10.743 12.139 2.128 1.00 0.00 C ATOM 827 CG LYS A 408 -10.110 13.383 1.545 1.00 0.00 C ATOM 828 CD LYS A 408 -11.083 14.552 1.512 1.00 0.00 C ATOM 829 CE LYS A 408 -11.543 14.942 2.909 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.499 16.083 2.880 1.00 0.00 N ATOM 0 H LYS A 408 -11.589 9.864 1.999 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.126 10.988 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.634 11.889 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -11.070 12.349 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.235 13.656 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -9.760 13.173 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.607 15.408 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.949 14.288 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.015 14.085 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.677 15.209 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.788 16.318 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.040 16.909 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.337 15.820 2.323 1.00 0.00 H new ATOM 844 N GLU A 409 -9.574 10.522 4.522 1.00 0.00 N ATOM 845 CA GLU A 409 -8.893 10.488 5.813 1.00 0.00 C ATOM 846 C GLU A 409 -7.700 9.536 5.793 1.00 0.00 C ATOM 847 O GLU A 409 -6.619 9.874 6.270 1.00 0.00 O ATOM 848 CB GLU A 409 -9.868 10.067 6.914 1.00 0.00 C ATOM 849 CG GLU A 409 -11.063 10.995 7.061 1.00 0.00 C ATOM 850 CD GLU A 409 -12.025 10.546 8.145 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.760 9.504 8.781 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.045 11.236 8.356 1.00 0.00 O ATOM 0 H GLU A 409 -10.540 10.196 4.548 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.523 11.493 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.226 9.059 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.334 10.024 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.710 12.001 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.594 11.050 6.110 1.00 0.00 H new ATOM 859 N GLU A 410 -7.905 8.341 5.254 1.00 0.00 N ATOM 860 CA GLU A 410 -6.844 7.339 5.191 1.00 0.00 C ATOM 861 C GLU A 410 -5.726 7.767 4.243 1.00 0.00 C ATOM 862 O GLU A 410 -4.546 7.628 4.563 1.00 0.00 O ATOM 863 CB GLU A 410 -7.414 5.991 4.749 1.00 0.00 C ATOM 864 CG GLU A 410 -8.462 5.434 5.698 1.00 0.00 C ATOM 865 CD GLU A 410 -7.908 5.156 7.082 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.971 4.337 7.193 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.411 5.756 8.055 1.00 0.00 O ATOM 0 H GLU A 410 -8.794 8.040 4.854 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.421 7.242 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.854 6.099 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.599 5.273 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.288 6.141 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -8.870 4.513 5.282 1.00 0.00 H new ATOM 874 N ALA A 411 -6.105 8.272 3.076 1.00 0.00 N ATOM 875 CA ALA A 411 -5.135 8.704 2.072 1.00 0.00 C ATOM 876 C ALA A 411 -4.230 9.816 2.590 1.00 0.00 C ATOM 877 O ALA A 411 -3.012 9.756 2.429 1.00 0.00 O ATOM 878 CB ALA A 411 -5.855 9.157 0.813 1.00 0.00 C ATOM 0 H ALA A 411 -7.079 8.394 2.799 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.500 7.849 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.124 9.477 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.441 8.330 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.517 9.989 1.052 1.00 0.00 H new ATOM 884 N LYS A 412 -4.825 10.834 3.201 1.00 0.00 N ATOM 885 CA LYS A 412 -4.057 11.956 3.726 1.00 0.00 C ATOM 886 C LYS A 412 -3.087 11.496 4.811 1.00 0.00 C ATOM 887 O LYS A 412 -1.948 11.957 4.872 1.00 0.00 O ATOM 888 CB LYS A 412 -4.991 13.042 4.268 1.00 0.00 C ATOM 889 CG LYS A 412 -5.863 12.581 5.425 1.00 0.00 C ATOM 890 CD LYS A 412 -6.778 13.691 5.919 1.00 0.00 C ATOM 891 CE LYS A 412 -5.991 14.861 6.489 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.885 15.950 6.970 1.00 0.00 N ATOM 0 H LYS A 412 -5.832 10.905 3.345 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.474 12.377 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.393 13.893 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.632 13.393 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.464 11.728 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.230 12.240 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.403 14.040 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.448 13.297 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.368 14.512 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.320 15.253 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.310 16.728 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.462 16.301 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.509 15.583 7.717 1.00 0.00 H new