USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 386 GLN : amide:sc= 0.822 K(o=1.1,f=-2.2) USER MOD Set 1.2: A 402 LYS NZ :NH3+ -171:sc= 0.267 (180deg=-0.34) USER MOD Set 2.1: A 396 HIS : no HE2:sc= 0.403 K(o=0.84,f=-2.4) USER MOD Set 2.2: A 405 THR OG1 : rot -74:sc= 0.433 USER MOD Single : A 377 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.925 F(o=-5!,f=-0.93) 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 387 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.55) USER MOD Single : A 390 LYS NZ :NH3+ 171:sc= -3.15! (180deg=-3.42!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -146:sc= 0.336 (180deg=0.0326) USER MOD Single : A 397 ASN : amide:sc= 0.45 K(o=0.45,f=-3.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.641 F(o=-4.2!,f=-0.64) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0381 (180deg=-0.246) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -2.249 5.204 -3.789 1.00 0.00 N ATOM 340 CA GLU A 376 -3.527 5.742 -3.350 1.00 0.00 C ATOM 341 C GLU A 376 -4.136 6.688 -4.379 1.00 0.00 C ATOM 342 O GLU A 376 -3.562 7.721 -4.717 1.00 0.00 O ATOM 343 CB GLU A 376 -3.360 6.451 -2.003 1.00 0.00 C ATOM 344 CG GLU A 376 -2.324 7.563 -2.015 1.00 0.00 C ATOM 345 CD GLU A 376 -2.915 8.919 -2.350 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.152 9.011 -2.496 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.139 9.893 -2.460 1.00 0.00 O ATOM 0 HA GLU A 376 -4.217 4.906 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.321 6.867 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.080 5.715 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.842 7.614 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.548 7.321 -2.741 1.00 0.00 H new ATOM 354 N THR A 377 -5.324 6.321 -4.844 1.00 0.00 N ATOM 355 CA THR A 377 -6.080 7.109 -5.808 1.00 0.00 C ATOM 356 C THR A 377 -7.534 6.674 -5.773 1.00 0.00 C ATOM 357 O THR A 377 -7.830 5.486 -5.649 1.00 0.00 O ATOM 358 CB THR A 377 -5.566 6.968 -7.255 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.447 5.587 -7.605 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.227 7.665 -7.450 1.00 0.00 C ATOM 0 H THR A 377 -5.793 5.461 -4.560 1.00 0.00 H new ATOM 0 HA THR A 377 -5.960 8.153 -5.520 1.00 0.00 H new ATOM 0 HB THR A 377 -6.294 7.449 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.122 5.510 -8.526 1.00 0.00 H new ATOM 0 HG21 THR A 377 -3.900 7.542 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.334 8.727 -7.227 1.00 0.00 H new ATOM 0 HG23 THR A 377 -3.487 7.226 -6.780 1.00 0.00 H new ATOM 368 N GLU A 378 -8.437 7.633 -5.872 1.00 0.00 N ATOM 369 CA GLU A 378 -9.860 7.334 -5.842 1.00 0.00 C ATOM 370 C GLU A 378 -10.214 6.371 -6.966 1.00 0.00 C ATOM 371 O GLU A 378 -11.047 5.481 -6.804 1.00 0.00 O ATOM 372 CB GLU A 378 -10.681 8.615 -5.975 1.00 0.00 C ATOM 373 CG GLU A 378 -12.175 8.396 -5.811 1.00 0.00 C ATOM 374 CD GLU A 378 -12.973 9.677 -5.962 1.00 0.00 C ATOM 375 OE1 GLU A 378 -12.900 10.299 -7.043 1.00 0.00 O ATOM 376 OE2 GLU A 378 -13.672 10.059 -5.000 1.00 0.00 O ATOM 0 H GLU A 378 -8.213 8.623 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.096 6.869 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -10.343 9.333 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -10.492 9.059 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -12.515 7.671 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -12.370 7.965 -4.829 1.00 0.00 H new ATOM 383 N GLY A 379 -9.571 6.570 -8.108 1.00 0.00 N ATOM 384 CA GLY A 379 -9.817 5.732 -9.264 1.00 0.00 C ATOM 385 C GLY A 379 -9.364 4.296 -9.081 1.00 0.00 C ATOM 386 O GLY A 379 -10.052 3.371 -9.509 1.00 0.00 O ATOM 0 H GLY A 379 -8.878 7.303 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.883 5.742 -9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.305 6.158 -10.127 1.00 0.00 H new ATOM 390 N SER A 380 -8.204 4.102 -8.460 1.00 0.00 N ATOM 391 CA SER A 380 -7.678 2.757 -8.250 1.00 0.00 C ATOM 392 C SER A 380 -8.495 1.995 -7.216 1.00 0.00 C ATOM 393 O SER A 380 -8.856 0.838 -7.424 1.00 0.00 O ATOM 394 CB SER A 380 -6.222 2.814 -7.813 1.00 0.00 C ATOM 395 OG SER A 380 -5.703 1.515 -7.591 1.00 0.00 O ATOM 0 H SER A 380 -7.615 4.851 -8.096 1.00 0.00 H new ATOM 0 HA SER A 380 -7.747 2.227 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.630 3.320 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.136 3.404 -6.900 1.00 0.00 H new ATOM 0 HG SER A 380 -4.766 1.580 -7.313 1.00 0.00 H new ATOM 401 N CYS A 381 -8.774 2.654 -6.100 1.00 0.00 N ATOM 402 CA CYS A 381 -9.536 2.048 -5.015 1.00 0.00 C ATOM 403 C CYS A 381 -10.879 1.507 -5.496 1.00 0.00 C ATOM 404 O CYS A 381 -11.237 0.368 -5.200 1.00 0.00 O ATOM 405 CB CYS A 381 -9.751 3.068 -3.902 1.00 0.00 C ATOM 406 SG CYS A 381 -8.216 3.582 -3.069 1.00 0.00 S ATOM 0 H CYS A 381 -8.482 3.615 -5.921 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.960 1.205 -4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.240 3.949 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.431 2.646 -3.162 1.00 0.00 H new ATOM 411 N ASN A 382 -11.616 2.327 -6.236 1.00 0.00 N ATOM 412 CA ASN A 382 -12.921 1.921 -6.753 1.00 0.00 C ATOM 413 C ASN A 382 -12.812 0.614 -7.527 1.00 0.00 C ATOM 414 O ASN A 382 -13.721 -0.217 -7.498 1.00 0.00 O ATOM 415 CB ASN A 382 -13.499 3.008 -7.662 1.00 0.00 C ATOM 416 CG ASN A 382 -13.674 4.340 -6.959 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.303 4.402 -5.685 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.140 5.310 -7.557 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.335 3.274 -6.492 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.587 1.773 -5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.842 3.141 -8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.464 2.677 -8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.413 5.223 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.253 6.201 -7.074 1.00 0.00 H new ATOM 425 N LYS A 383 -11.699 0.448 -8.226 1.00 0.00 N ATOM 426 CA LYS A 383 -11.461 -0.746 -9.023 1.00 0.00 C ATOM 427 C LYS A 383 -11.129 -1.947 -8.146 1.00 0.00 C ATOM 428 O LYS A 383 -11.499 -3.077 -8.466 1.00 0.00 O ATOM 429 CB LYS A 383 -10.329 -0.491 -10.017 1.00 0.00 C ATOM 430 CG LYS A 383 -10.566 0.724 -10.900 1.00 0.00 C ATOM 431 CD LYS A 383 -11.841 0.587 -11.719 1.00 0.00 C ATOM 432 CE LYS A 383 -11.787 -0.618 -12.647 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.053 -0.786 -13.411 1.00 0.00 N ATOM 0 H LYS A 383 -10.942 1.130 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.377 -0.975 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.397 -0.357 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.204 -1.371 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.627 1.618 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.716 0.858 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.696 0.492 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.995 1.492 -12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.955 -0.504 -13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.593 -1.518 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.976 -1.617 -14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.843 -0.920 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.225 0.062 -13.988 1.00 0.00 H new ATOM 447 N LYS A 384 -10.409 -1.703 -7.055 1.00 0.00 N ATOM 448 CA LYS A 384 -10.006 -2.758 -6.151 1.00 0.00 C ATOM 449 C LYS A 384 -11.178 -3.587 -5.657 1.00 0.00 C ATOM 450 O LYS A 384 -12.334 -3.357 -6.012 1.00 0.00 O ATOM 451 CB LYS A 384 -9.279 -2.154 -4.958 1.00 0.00 C ATOM 452 CG LYS A 384 -8.126 -1.254 -5.351 1.00 0.00 C ATOM 453 CD LYS A 384 -7.103 -1.991 -6.195 1.00 0.00 C ATOM 454 CE LYS A 384 -7.387 -1.853 -7.683 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.276 -2.393 -8.515 1.00 0.00 N ATOM 0 H LYS A 384 -10.094 -0.773 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 384 -9.347 -3.425 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.989 -1.583 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.904 -2.958 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.506 -0.396 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.645 -0.865 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.107 -1.604 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -7.101 -3.046 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -8.311 -2.378 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.545 -0.802 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.510 -2.279 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.400 -1.875 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.142 -3.402 -8.302 1.00 0.00 H new ATOM 469 N ASP A 385 -10.845 -4.540 -4.808 1.00 0.00 N ATOM 470 CA ASP A 385 -11.818 -5.432 -4.201 1.00 0.00 C ATOM 471 C ASP A 385 -11.393 -5.721 -2.770 1.00 0.00 C ATOM 472 O ASP A 385 -10.670 -4.933 -2.171 1.00 0.00 O ATOM 473 CB ASP A 385 -11.920 -6.738 -4.992 1.00 0.00 C ATOM 474 CG ASP A 385 -12.436 -6.534 -6.404 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.757 -5.844 -7.193 1.00 0.00 O ATOM 476 OD2 ASP A 385 -13.519 -7.068 -6.721 1.00 0.00 O ATOM 0 H ASP A 385 -9.884 -4.720 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.798 -4.955 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.938 -7.209 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -12.581 -7.426 -4.465 1.00 0.00 H new ATOM 481 N GLN A 386 -11.815 -6.850 -2.223 1.00 0.00 N ATOM 482 CA GLN A 386 -11.432 -7.195 -0.864 1.00 0.00 C ATOM 483 C GLN A 386 -9.923 -7.405 -0.784 1.00 0.00 C ATOM 484 O GLN A 386 -9.226 -6.721 -0.035 1.00 0.00 O ATOM 485 CB GLN A 386 -12.166 -8.454 -0.401 1.00 0.00 C ATOM 486 CG GLN A 386 -11.952 -8.774 1.070 1.00 0.00 C ATOM 487 CD GLN A 386 -12.693 -10.021 1.510 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.907 -10.128 1.344 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.964 -10.970 2.085 1.00 0.00 N ATOM 0 H GLN A 386 -12.413 -7.532 -2.690 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.711 -6.373 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.233 -8.332 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.833 -9.301 -1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.886 -8.904 1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.282 -7.928 1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.959 -10.840 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.409 -11.829 2.409 1.00 0.00 H new ATOM 498 N ASN A 387 -9.430 -8.351 -1.576 1.00 0.00 N ATOM 499 CA ASN A 387 -8.012 -8.669 -1.617 1.00 0.00 C ATOM 500 C ASN A 387 -7.224 -7.616 -2.392 1.00 0.00 C ATOM 501 O ASN A 387 -6.084 -7.848 -2.795 1.00 0.00 O ATOM 502 CB ASN A 387 -7.838 -10.033 -2.266 1.00 0.00 C ATOM 503 CG ASN A 387 -6.408 -10.515 -2.246 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.811 -10.689 -1.183 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.851 -10.732 -3.426 1.00 0.00 N ATOM 0 H ASN A 387 -10.002 -8.916 -2.204 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.624 -8.682 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -8.468 -10.758 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -8.186 -9.986 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.886 -11.058 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -6.386 -10.573 -4.280 1.00 0.00 H new ATOM 512 N GLU A 388 -7.836 -6.462 -2.599 1.00 0.00 N ATOM 513 CA GLU A 388 -7.187 -5.379 -3.331 1.00 0.00 C ATOM 514 C GLU A 388 -7.466 -4.027 -2.690 1.00 0.00 C ATOM 515 O GLU A 388 -6.858 -3.023 -3.064 1.00 0.00 O ATOM 516 CB GLU A 388 -7.644 -5.370 -4.791 1.00 0.00 C ATOM 517 CG GLU A 388 -7.281 -6.634 -5.548 1.00 0.00 C ATOM 518 CD GLU A 388 -7.684 -6.576 -7.009 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.196 -5.676 -7.724 1.00 0.00 O ATOM 520 OE2 GLU A 388 -8.489 -7.430 -7.437 1.00 0.00 O ATOM 0 H GLU A 388 -8.779 -6.248 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 388 -6.112 -5.555 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.725 -5.234 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -7.200 -4.513 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -6.206 -6.799 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.766 -7.488 -5.075 1.00 0.00 H new ATOM 527 N CYS A 389 -8.372 -3.997 -1.718 1.00 0.00 N ATOM 528 CA CYS A 389 -8.688 -2.747 -1.043 1.00 0.00 C ATOM 529 C CYS A 389 -7.467 -2.301 -0.247 1.00 0.00 C ATOM 530 O CYS A 389 -7.193 -2.820 0.835 1.00 0.00 O ATOM 531 CB CYS A 389 -9.908 -2.918 -0.132 1.00 0.00 C ATOM 532 SG CYS A 389 -10.778 -1.363 0.261 1.00 0.00 S ATOM 0 H CYS A 389 -8.891 -4.809 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.938 -1.983 -1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.610 -3.602 -0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.589 -3.387 0.799 1.00 0.00 H new ATOM 537 N LYS A 390 -6.715 -1.363 -0.814 1.00 0.00 N ATOM 538 CA LYS A 390 -5.493 -0.875 -0.186 1.00 0.00 C ATOM 539 C LYS A 390 -5.780 -0.046 1.062 1.00 0.00 C ATOM 540 O LYS A 390 -6.906 0.396 1.285 1.00 0.00 O ATOM 541 CB LYS A 390 -4.679 -0.062 -1.187 1.00 0.00 C ATOM 542 CG LYS A 390 -4.234 -0.868 -2.398 1.00 0.00 C ATOM 543 CD LYS A 390 -3.400 -0.029 -3.353 1.00 0.00 C ATOM 544 CE LYS A 390 -2.947 -0.838 -4.556 1.00 0.00 C ATOM 545 NZ LYS A 390 -4.098 -1.389 -5.321 1.00 0.00 N ATOM 0 H LYS A 390 -6.931 -0.925 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.916 -1.744 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.274 0.787 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.800 0.343 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.654 -1.730 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.109 -1.253 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.983 0.829 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.529 0.363 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.344 -0.208 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.308 -1.656 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -3.757 -1.802 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.570 -2.124 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -4.773 -0.626 -5.530 1.00 0.00 H new ATOM 559 N SER A 391 -4.742 0.140 1.878 1.00 0.00 N ATOM 560 CA SER A 391 -4.849 0.893 3.117 1.00 0.00 C ATOM 561 C SER A 391 -5.533 2.246 2.906 1.00 0.00 C ATOM 562 O SER A 391 -6.496 2.564 3.606 1.00 0.00 O ATOM 563 CB SER A 391 -3.460 1.083 3.723 1.00 0.00 C ATOM 564 OG SER A 391 -2.851 -0.165 4.006 1.00 0.00 O ATOM 0 H SER A 391 -3.808 -0.228 1.695 1.00 0.00 H new ATOM 0 HA SER A 391 -5.472 0.323 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.833 1.649 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.537 1.670 4.639 1.00 0.00 H new ATOM 0 HG SER A 391 -1.962 -0.015 4.391 1.00 0.00 H new ATOM 570 N PRO A 392 -5.072 3.065 1.934 1.00 0.00 N ATOM 571 CA PRO A 392 -5.684 4.364 1.662 1.00 0.00 C ATOM 572 C PRO A 392 -7.160 4.213 1.320 1.00 0.00 C ATOM 573 O PRO A 392 -7.986 5.066 1.652 1.00 0.00 O ATOM 574 CB PRO A 392 -4.901 4.885 0.451 1.00 0.00 C ATOM 575 CG PRO A 392 -4.246 3.690 -0.138 1.00 0.00 C ATOM 576 CD PRO A 392 -3.948 2.803 1.018 1.00 0.00 C ATOM 0 HA PRO A 392 -5.643 5.035 2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.564 5.365 -0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.164 5.630 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.900 3.196 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.335 3.962 -0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.904 1.755 0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.989 3.045 1.476 1.00 0.00 H new ATOM 584 N CYS A 393 -7.474 3.111 0.651 1.00 0.00 N ATOM 585 CA CYS A 393 -8.839 2.811 0.250 1.00 0.00 C ATOM 586 C CYS A 393 -9.677 2.378 1.448 1.00 0.00 C ATOM 587 O CYS A 393 -9.164 1.780 2.394 1.00 0.00 O ATOM 588 CB CYS A 393 -8.846 1.699 -0.794 1.00 0.00 C ATOM 589 SG CYS A 393 -7.613 1.902 -2.118 1.00 0.00 S ATOM 0 H CYS A 393 -6.793 2.405 0.373 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.271 3.718 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.670 0.747 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.838 1.645 -1.243 1.00 0.00 H new ATOM 594 N LYS A 394 -10.968 2.669 1.388 1.00 0.00 N ATOM 595 CA LYS A 394 -11.889 2.294 2.454 1.00 0.00 C ATOM 596 C LYS A 394 -12.646 1.029 2.073 1.00 0.00 C ATOM 597 O LYS A 394 -13.314 0.982 1.040 1.00 0.00 O ATOM 598 CB LYS A 394 -12.873 3.433 2.739 1.00 0.00 C ATOM 599 CG LYS A 394 -13.863 3.122 3.853 1.00 0.00 C ATOM 600 CD LYS A 394 -14.824 4.278 4.092 1.00 0.00 C ATOM 601 CE LYS A 394 -14.095 5.531 4.555 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.031 6.666 4.783 1.00 0.00 N ATOM 0 H LYS A 394 -11.404 3.165 0.611 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.312 2.101 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.311 4.329 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.425 3.661 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.428 2.226 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.320 2.905 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.370 4.493 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.562 3.989 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.554 5.316 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.354 5.816 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.562 7.559 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.878 6.541 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.308 6.691 5.785 1.00 0.00 H new ATOM 616 N TRP A 395 -12.530 0.002 2.907 1.00 0.00 N ATOM 617 CA TRP A 395 -13.197 -1.265 2.644 1.00 0.00 C ATOM 618 C TRP A 395 -14.677 -1.204 3.010 1.00 0.00 C ATOM 619 O TRP A 395 -15.048 -0.682 4.060 1.00 0.00 O ATOM 620 CB TRP A 395 -12.510 -2.399 3.409 1.00 0.00 C ATOM 621 CG TRP A 395 -13.125 -3.746 3.167 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.416 -4.691 4.109 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.523 -4.302 1.905 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.970 -5.798 3.513 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.049 -5.583 2.163 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.490 -3.843 0.583 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.534 -6.406 1.150 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.972 -4.663 -0.421 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.490 -5.931 -0.132 1.00 0.00 C ATOM 0 H TRP A 395 -11.982 0.023 3.767 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.124 -1.462 1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.458 -2.433 3.125 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.545 -2.179 4.476 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.237 -4.584 5.169 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.273 -6.643 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.095 -2.865 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.931 -7.386 1.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.948 -4.319 -1.445 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.862 -6.547 -0.937 1.00 0.00 H new ATOM 640 N HIS A 396 -15.514 -1.755 2.134 1.00 0.00 N ATOM 641 CA HIS A 396 -16.954 -1.782 2.360 1.00 0.00 C ATOM 642 C HIS A 396 -17.463 -3.220 2.409 1.00 0.00 C ATOM 643 O HIS A 396 -17.655 -3.860 1.369 1.00 0.00 O ATOM 644 CB HIS A 396 -17.685 -1.001 1.265 1.00 0.00 C ATOM 645 CG HIS A 396 -17.351 0.458 1.243 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.585 1.300 2.311 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.797 1.228 0.275 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.192 2.523 2.000 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.709 2.505 0.772 1.00 0.00 N ATOM 0 H HIS A 396 -15.217 -2.189 1.260 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.156 -1.308 3.321 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.440 -1.436 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.760 -1.117 1.404 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.997 1.022 3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.483 0.899 -0.705 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.255 3.389 2.642 1.00 0.00 H new ATOM 658 N ASN A 397 -17.671 -3.713 3.629 1.00 0.00 N ATOM 659 CA ASN A 397 -18.154 -5.073 3.851 1.00 0.00 C ATOM 660 C ASN A 397 -19.672 -5.143 3.735 1.00 0.00 C ATOM 661 O ASN A 397 -20.357 -4.121 3.796 1.00 0.00 O ATOM 662 CB ASN A 397 -17.712 -5.577 5.226 1.00 0.00 C ATOM 663 CG ASN A 397 -18.226 -4.707 6.357 1.00 0.00 C ATOM 664 OD1 ASN A 397 -17.921 -3.517 6.427 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.009 -5.299 7.251 1.00 0.00 N ATOM 0 H ASN A 397 -17.510 -3.184 4.486 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.722 -5.712 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.068 -6.598 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.623 -5.611 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.383 -4.764 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.236 -6.289 7.154 1.00 0.00 H new ATOM 672 N ASP A 398 -20.190 -6.358 3.567 1.00 0.00 N ATOM 673 CA ASP A 398 -21.629 -6.577 3.439 1.00 0.00 C ATOM 674 C ASP A 398 -22.173 -5.794 2.248 1.00 0.00 C ATOM 675 O ASP A 398 -23.300 -5.303 2.266 1.00 0.00 O ATOM 676 CB ASP A 398 -22.346 -6.162 4.730 1.00 0.00 C ATOM 677 CG ASP A 398 -23.747 -6.739 4.842 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.603 -6.408 3.996 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.987 -7.527 5.781 1.00 0.00 O ATOM 0 H ASP A 398 -19.631 -7.210 3.516 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.812 -7.638 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -21.756 -6.486 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.402 -5.074 4.774 1.00 0.00 H new ATOM 684 N ALA A 399 -21.353 -5.685 1.212 1.00 0.00 N ATOM 685 CA ALA A 399 -21.733 -4.970 0.002 1.00 0.00 C ATOM 686 C ALA A 399 -22.468 -5.890 -0.965 1.00 0.00 C ATOM 687 O ALA A 399 -22.296 -7.108 -0.924 1.00 0.00 O ATOM 688 CB ALA A 399 -20.503 -4.371 -0.663 1.00 0.00 C ATOM 0 H ALA A 399 -20.415 -6.085 1.186 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.410 -4.162 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.801 -3.839 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.020 -3.677 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.806 -5.168 -0.924 1.00 0.00 H new ATOM 694 N GLU A 400 -23.281 -5.299 -1.836 1.00 0.00 N ATOM 695 CA GLU A 400 -24.036 -6.064 -2.821 1.00 0.00 C ATOM 696 C GLU A 400 -23.108 -6.988 -3.602 1.00 0.00 C ATOM 697 O GLU A 400 -23.529 -8.022 -4.121 1.00 0.00 O ATOM 698 CB GLU A 400 -24.763 -5.121 -3.782 1.00 0.00 C ATOM 699 CG GLU A 400 -25.725 -4.170 -3.088 1.00 0.00 C ATOM 700 CD GLU A 400 -26.416 -3.228 -4.055 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.143 -3.317 -5.271 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.228 -2.398 -3.596 1.00 0.00 O ATOM 0 H GLU A 400 -23.433 -4.291 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.774 -6.670 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.025 -4.539 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.314 -5.714 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.477 -4.748 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.181 -3.587 -2.345 1.00 0.00 H new ATOM 709 N ASN A 401 -21.840 -6.599 -3.673 1.00 0.00 N ATOM 710 CA ASN A 401 -20.832 -7.375 -4.381 1.00 0.00 C ATOM 711 C ASN A 401 -19.434 -6.864 -4.043 1.00 0.00 C ATOM 712 O ASN A 401 -18.589 -6.707 -4.924 1.00 0.00 O ATOM 713 CB ASN A 401 -21.072 -7.305 -5.893 1.00 0.00 C ATOM 714 CG ASN A 401 -21.019 -5.890 -6.449 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.821 -4.901 -5.580 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.160 -5.685 -7.655 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.485 -5.744 -3.245 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.908 -8.415 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.325 -7.915 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.046 -7.740 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.310 -6.468 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.127 -4.732 -8.018 1.00 0.00 H new ATOM 723 N LYS A 402 -19.211 -6.599 -2.754 1.00 0.00 N ATOM 724 CA LYS A 402 -17.928 -6.091 -2.272 1.00 0.00 C ATOM 725 C LYS A 402 -17.656 -4.699 -2.835 1.00 0.00 C ATOM 726 O LYS A 402 -17.733 -4.485 -4.045 1.00 0.00 O ATOM 727 CB LYS A 402 -16.791 -7.042 -2.659 1.00 0.00 C ATOM 728 CG LYS A 402 -16.945 -8.445 -2.094 1.00 0.00 C ATOM 729 CD LYS A 402 -16.891 -8.446 -0.575 1.00 0.00 C ATOM 730 CE LYS A 402 -17.015 -9.851 -0.013 1.00 0.00 C ATOM 731 NZ LYS A 402 -15.937 -10.749 -0.513 1.00 0.00 N ATOM 0 H LYS A 402 -19.909 -6.730 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 402 -17.977 -6.027 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.734 -7.102 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.846 -6.623 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.893 -8.869 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.155 -9.085 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -15.952 -8.002 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -17.695 -7.824 -0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -16.977 -9.811 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.986 -10.265 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.142 -11.729 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -15.890 -10.690 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.025 -10.456 -0.108 1.00 0.00 H new ATOM 745 N LYS A 403 -17.347 -3.748 -1.957 1.00 0.00 N ATOM 746 CA LYS A 403 -17.079 -2.384 -2.399 1.00 0.00 C ATOM 747 C LYS A 403 -15.855 -1.793 -1.710 1.00 0.00 C ATOM 748 O LYS A 403 -15.590 -2.068 -0.544 1.00 0.00 O ATOM 749 CB LYS A 403 -18.299 -1.499 -2.146 1.00 0.00 C ATOM 750 CG LYS A 403 -19.538 -1.956 -2.898 1.00 0.00 C ATOM 751 CD LYS A 403 -20.690 -0.982 -2.723 1.00 0.00 C ATOM 752 CE LYS A 403 -21.914 -1.419 -3.511 1.00 0.00 C ATOM 753 NZ LYS A 403 -23.036 -0.453 -3.373 1.00 0.00 N ATOM 0 H LYS A 403 -17.277 -3.894 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.871 -2.421 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.515 -1.486 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.063 -0.475 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.304 -2.057 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.837 -2.942 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.945 -0.905 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.381 0.011 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.651 -1.521 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -22.236 -2.401 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -23.852 -0.787 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -23.305 -0.374 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.737 0.479 -3.726 1.00 0.00 H new ATOM 767 N CYS A 404 -15.116 -0.973 -2.451 1.00 0.00 N ATOM 768 CA CYS A 404 -13.916 -0.323 -1.932 1.00 0.00 C ATOM 769 C CYS A 404 -13.700 1.015 -2.636 1.00 0.00 C ATOM 770 O CYS A 404 -13.623 1.073 -3.864 1.00 0.00 O ATOM 771 CB CYS A 404 -12.691 -1.227 -2.128 1.00 0.00 C ATOM 772 SG CYS A 404 -11.116 -0.504 -1.557 1.00 0.00 S ATOM 0 H CYS A 404 -15.329 -0.741 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 404 -14.049 -0.144 -0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.859 -2.164 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.601 -1.471 -3.187 1.00 0.00 H new ATOM 777 N THR A 405 -13.614 2.087 -1.855 1.00 0.00 N ATOM 778 CA THR A 405 -13.418 3.425 -2.406 1.00 0.00 C ATOM 779 C THR A 405 -12.446 4.228 -1.550 1.00 0.00 C ATOM 780 O THR A 405 -12.535 4.219 -0.324 1.00 0.00 O ATOM 781 CB THR A 405 -14.749 4.194 -2.508 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.331 4.343 -1.206 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.725 3.472 -3.425 1.00 0.00 C ATOM 0 H THR A 405 -13.677 2.056 -0.837 1.00 0.00 H new ATOM 0 HA THR A 405 -13.005 3.299 -3.407 1.00 0.00 H new ATOM 0 HB THR A 405 -14.541 5.178 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.697 3.483 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.657 4.035 -3.480 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.293 3.387 -4.422 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.926 2.476 -3.031 1.00 0.00 H new ATOM 791 N LEU A 406 -11.515 4.912 -2.207 1.00 0.00 N ATOM 792 CA LEU A 406 -10.514 5.709 -1.512 1.00 0.00 C ATOM 793 C LEU A 406 -11.148 6.724 -0.574 1.00 0.00 C ATOM 794 O LEU A 406 -12.070 7.449 -0.950 1.00 0.00 O ATOM 795 CB LEU A 406 -9.619 6.450 -2.507 1.00 0.00 C ATOM 796 CG LEU A 406 -8.531 7.307 -1.858 1.00 0.00 C ATOM 797 CD1 LEU A 406 -7.500 6.430 -1.163 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.865 8.210 -2.880 1.00 0.00 C ATOM 0 H LEU A 406 -11.434 4.929 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.916 5.013 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.146 5.721 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.242 7.088 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 406 -9.005 7.941 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -6.735 7.059 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -7.989 5.837 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -7.037 5.765 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.096 8.808 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.410 7.601 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -8.611 8.870 -3.323 1.00 0.00 H new ATOM 810 N ASP A 407 -10.619 6.790 0.640 1.00 0.00 N ATOM 811 CA ASP A 407 -11.099 7.740 1.634 1.00 0.00 C ATOM 812 C ASP A 407 -10.102 8.884 1.760 1.00 0.00 C ATOM 813 O ASP A 407 -8.912 8.652 1.971 1.00 0.00 O ATOM 814 CB ASP A 407 -11.288 7.053 2.987 1.00 0.00 C ATOM 815 CG ASP A 407 -11.786 8.006 4.055 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.876 8.587 3.871 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.086 8.172 5.076 1.00 0.00 O ATOM 0 H ASP A 407 -9.855 6.195 0.961 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.064 8.133 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.996 6.231 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.341 6.618 3.306 1.00 0.00 H new ATOM 822 N LYS A 408 -10.579 10.115 1.617 1.00 0.00 N ATOM 823 CA LYS A 408 -9.705 11.279 1.704 1.00 0.00 C ATOM 824 C LYS A 408 -8.996 11.332 3.053 1.00 0.00 C ATOM 825 O LYS A 408 -7.785 11.529 3.118 1.00 0.00 O ATOM 826 CB LYS A 408 -10.497 12.566 1.485 1.00 0.00 C ATOM 827 CG LYS A 408 -11.203 12.629 0.140 1.00 0.00 C ATOM 828 CD LYS A 408 -12.002 13.915 -0.017 1.00 0.00 C ATOM 829 CE LYS A 408 -11.108 15.144 0.034 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.077 15.127 -1.041 1.00 0.00 N ATOM 0 H LYS A 408 -11.560 10.332 1.441 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.954 11.188 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.237 12.666 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.821 13.417 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.467 12.558 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.869 11.772 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.540 13.896 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.751 13.977 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.719 16.041 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.618 15.196 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -9.624 16.061 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.358 14.408 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.527 14.900 -1.950 1.00 0.00 H new ATOM 844 N GLU A 409 -9.759 11.155 4.126 1.00 0.00 N ATOM 845 CA GLU A 409 -9.203 11.183 5.472 1.00 0.00 C ATOM 846 C GLU A 409 -8.110 10.130 5.630 1.00 0.00 C ATOM 847 O GLU A 409 -7.071 10.386 6.236 1.00 0.00 O ATOM 848 CB GLU A 409 -10.309 10.950 6.504 1.00 0.00 C ATOM 849 CG GLU A 409 -9.823 11.020 7.940 1.00 0.00 C ATOM 850 CD GLU A 409 -10.933 10.791 8.948 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.088 10.577 8.522 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.648 10.827 10.164 1.00 0.00 O ATOM 0 H GLU A 409 -10.765 10.991 4.089 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.761 12.165 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.093 11.693 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.759 9.973 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.042 10.275 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.372 11.996 8.119 1.00 0.00 H new ATOM 859 N GLU A 410 -8.355 8.947 5.076 1.00 0.00 N ATOM 860 CA GLU A 410 -7.394 7.852 5.152 1.00 0.00 C ATOM 861 C GLU A 410 -6.125 8.187 4.372 1.00 0.00 C ATOM 862 O GLU A 410 -5.017 8.056 4.891 1.00 0.00 O ATOM 863 CB GLU A 410 -8.017 6.562 4.612 1.00 0.00 C ATOM 864 CG GLU A 410 -7.110 5.344 4.718 1.00 0.00 C ATOM 865 CD GLU A 410 -6.788 4.968 6.153 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.158 5.786 6.858 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.166 3.854 6.573 1.00 0.00 O ATOM 0 H GLU A 410 -9.211 8.722 4.569 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.126 7.706 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.941 6.362 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.287 6.711 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.588 4.498 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.181 5.542 4.183 1.00 0.00 H new ATOM 874 N ALA A 411 -6.297 8.623 3.126 1.00 0.00 N ATOM 875 CA ALA A 411 -5.169 8.983 2.275 1.00 0.00 C ATOM 876 C ALA A 411 -4.285 10.028 2.944 1.00 0.00 C ATOM 877 O ALA A 411 -3.059 9.940 2.900 1.00 0.00 O ATOM 878 CB ALA A 411 -5.675 9.506 0.940 1.00 0.00 C ATOM 0 H ALA A 411 -7.209 8.735 2.684 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.568 8.089 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.827 9.773 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.265 8.734 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.296 10.387 1.106 1.00 0.00 H new ATOM 884 N LYS A 412 -4.922 11.015 3.558 1.00 0.00 N ATOM 885 CA LYS A 412 -4.210 12.088 4.239 1.00 0.00 C ATOM 886 C LYS A 412 -3.359 11.549 5.385 1.00 0.00 C ATOM 887 O LYS A 412 -2.206 11.943 5.550 1.00 0.00 O ATOM 888 CB LYS A 412 -5.210 13.116 4.764 1.00 0.00 C ATOM 889 CG LYS A 412 -5.980 13.828 3.664 1.00 0.00 C ATOM 890 CD LYS A 412 -7.115 14.666 4.227 1.00 0.00 C ATOM 891 CE LYS A 412 -7.892 15.362 3.121 1.00 0.00 C ATOM 892 NZ LYS A 412 -9.032 16.158 3.654 1.00 0.00 N ATOM 0 H LYS A 412 -5.938 11.095 3.599 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.541 12.564 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.917 12.618 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.678 13.856 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.301 14.467 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.381 13.093 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.788 14.030 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.713 15.410 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.222 16.017 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.267 14.618 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -9.534 16.615 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -9.686 15.530 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.673 16.885 4.305 1.00 0.00 H new