USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=13 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 397 ASN :FLIP amide:sc= -0.271 F(o=-2.3!,f=0.18) USER MOD Set 1.2: A 402 LYS NZ :NH3+ -137:sc= 0.45 (180deg=-0.216) USER MOD Set 2.1: A 396 HIS : no HE2:sc= -3.27! C(o=-3.4!,f=-3.4!) USER MOD Set 2.2: A 405 THR OG1 : rot 180:sc= -0.168 USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 380 SER OG : rot -33:sc= 1.52 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.02 F(o=-4.3!,f=-1) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -115:sc= -0.605 (180deg=-3.73!) USER MOD Single : A 386 GLN : amide:sc= 0.0367 X(o=0.037,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 170:sc= 0.0713 (180deg=-0.105) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.6) USER MOD Single : A 403 LYS NZ :NH3+ 167:sc= -0.0226 (180deg=-0.237) USER MOD Single : A 408 LYS NZ :NH3+ -149:sc= -0.0177 (180deg=-0.282) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc= -0.0114 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.141 6.435 -4.940 1.00 0.00 N ATOM 340 CA GLU A 376 -4.428 5.771 -4.948 1.00 0.00 C ATOM 341 C GLU A 376 -5.572 6.759 -5.122 1.00 0.00 C ATOM 342 O GLU A 376 -5.584 7.834 -4.524 1.00 0.00 O ATOM 343 CB GLU A 376 -4.574 5.001 -3.653 1.00 0.00 C ATOM 344 CG GLU A 376 -3.349 4.162 -3.370 1.00 0.00 C ATOM 345 CD GLU A 376 -3.312 2.879 -4.176 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.271 2.623 -4.934 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.323 2.128 -4.048 1.00 0.00 O ATOM 0 HA GLU A 376 -4.474 5.089 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.738 5.697 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.453 4.358 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.456 4.748 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.319 3.919 -2.308 1.00 0.00 H new ATOM 354 N THR A 377 -6.530 6.371 -5.949 1.00 0.00 N ATOM 355 CA THR A 377 -7.697 7.199 -6.227 1.00 0.00 C ATOM 356 C THR A 377 -8.974 6.379 -6.106 1.00 0.00 C ATOM 357 O THR A 377 -8.953 5.160 -6.264 1.00 0.00 O ATOM 358 CB THR A 377 -7.627 7.823 -7.633 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.562 6.791 -8.624 1.00 0.00 O ATOM 360 CG2 THR A 377 -6.417 8.735 -7.762 1.00 0.00 C ATOM 0 H THR A 377 -6.523 5.479 -6.444 1.00 0.00 H new ATOM 0 HA THR A 377 -7.705 8.003 -5.491 1.00 0.00 H new ATOM 0 HB THR A 377 -8.527 8.418 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.519 7.196 -9.515 1.00 0.00 H new ATOM 0 HG21 THR A 377 -6.390 9.164 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.485 9.536 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.508 8.160 -7.589 1.00 0.00 H new ATOM 368 N GLU A 378 -10.081 7.051 -5.806 1.00 0.00 N ATOM 369 CA GLU A 378 -11.364 6.376 -5.646 1.00 0.00 C ATOM 370 C GLU A 378 -11.625 5.423 -6.804 1.00 0.00 C ATOM 371 O GLU A 378 -12.093 4.302 -6.607 1.00 0.00 O ATOM 372 CB GLU A 378 -12.495 7.399 -5.543 1.00 0.00 C ATOM 373 CG GLU A 378 -13.855 6.782 -5.253 1.00 0.00 C ATOM 374 CD GLU A 378 -14.952 7.821 -5.133 1.00 0.00 C ATOM 375 OE1 GLU A 378 -15.185 8.554 -6.117 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.579 7.903 -4.055 1.00 0.00 O ATOM 0 H GLU A 378 -10.115 8.061 -5.669 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.328 5.795 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.255 8.114 -4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.552 7.959 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -14.109 6.081 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.800 6.208 -4.328 1.00 0.00 H new ATOM 383 N GLY A 379 -11.314 5.875 -8.010 1.00 0.00 N ATOM 384 CA GLY A 379 -11.517 5.053 -9.184 1.00 0.00 C ATOM 385 C GLY A 379 -10.689 3.785 -9.166 1.00 0.00 C ATOM 386 O GLY A 379 -11.167 2.723 -9.565 1.00 0.00 O ATOM 0 H GLY A 379 -10.924 6.799 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.572 4.791 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -11.268 5.631 -10.074 1.00 0.00 H new ATOM 390 N SER A 380 -9.446 3.891 -8.711 1.00 0.00 N ATOM 391 CA SER A 380 -8.561 2.732 -8.659 1.00 0.00 C ATOM 392 C SER A 380 -9.027 1.723 -7.613 1.00 0.00 C ATOM 393 O SER A 380 -9.121 0.530 -7.892 1.00 0.00 O ATOM 394 CB SER A 380 -7.123 3.162 -8.360 1.00 0.00 C ATOM 395 OG SER A 380 -7.017 3.736 -7.071 1.00 0.00 O ATOM 0 H SER A 380 -9.030 4.760 -8.375 1.00 0.00 H new ATOM 0 HA SER A 380 -8.593 2.253 -9.637 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.460 2.299 -8.432 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.793 3.881 -9.109 1.00 0.00 H new ATOM 0 HG SER A 380 -7.849 4.207 -6.853 1.00 0.00 H new ATOM 401 N CYS A 381 -9.316 2.209 -6.408 1.00 0.00 N ATOM 402 CA CYS A 381 -9.764 1.344 -5.318 1.00 0.00 C ATOM 403 C CYS A 381 -10.976 0.512 -5.727 1.00 0.00 C ATOM 404 O CYS A 381 -11.033 -0.688 -5.460 1.00 0.00 O ATOM 405 CB CYS A 381 -10.104 2.178 -4.082 1.00 0.00 C ATOM 406 SG CYS A 381 -8.706 3.143 -3.422 1.00 0.00 S ATOM 0 H CYS A 381 -9.248 3.196 -6.161 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.947 0.663 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.916 2.861 -4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.474 1.514 -3.300 1.00 0.00 H new ATOM 411 N ASN A 382 -11.943 1.159 -6.369 1.00 0.00 N ATOM 412 CA ASN A 382 -13.161 0.479 -6.809 1.00 0.00 C ATOM 413 C ASN A 382 -12.837 -0.760 -7.637 1.00 0.00 C ATOM 414 O ASN A 382 -13.601 -1.726 -7.651 1.00 0.00 O ATOM 415 CB ASN A 382 -14.034 1.429 -7.633 1.00 0.00 C ATOM 416 CG ASN A 382 -14.459 2.666 -6.862 1.00 0.00 C ATOM 417 OD1 ASN A 382 -14.033 2.768 -5.607 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -15.165 3.524 -7.392 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.909 2.153 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.704 0.167 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.487 1.734 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.922 0.896 -7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.471 3.407 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.444 4.351 -6.865 1.00 0.00 H new ATOM 425 N LYS A 383 -11.706 -0.723 -8.333 1.00 0.00 N ATOM 426 CA LYS A 383 -11.289 -1.837 -9.170 1.00 0.00 C ATOM 427 C LYS A 383 -10.574 -2.895 -8.339 1.00 0.00 C ATOM 428 O LYS A 383 -10.716 -4.095 -8.582 1.00 0.00 O ATOM 429 CB LYS A 383 -10.373 -1.337 -10.289 1.00 0.00 C ATOM 430 CG LYS A 383 -10.886 -0.077 -10.978 1.00 0.00 C ATOM 431 CD LYS A 383 -12.285 -0.267 -11.549 1.00 0.00 C ATOM 432 CE LYS A 383 -12.307 -1.316 -12.651 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.670 -1.494 -13.223 1.00 0.00 N ATOM 0 H LYS A 383 -11.062 0.068 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.176 -2.289 -9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.384 -1.139 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.256 -2.126 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.894 0.748 -10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.202 0.202 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.966 -0.563 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.649 0.682 -11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.617 -1.025 -13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.953 -2.267 -12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.641 -2.217 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.324 -1.797 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.998 -0.593 -13.626 1.00 0.00 H new ATOM 447 N LYS A 384 -9.797 -2.438 -7.365 1.00 0.00 N ATOM 448 CA LYS A 384 -9.044 -3.328 -6.499 1.00 0.00 C ATOM 449 C LYS A 384 -9.958 -4.180 -5.623 1.00 0.00 C ATOM 450 O LYS A 384 -10.852 -3.663 -4.952 1.00 0.00 O ATOM 451 CB LYS A 384 -8.100 -2.503 -5.627 1.00 0.00 C ATOM 452 CG LYS A 384 -6.821 -2.055 -6.330 1.00 0.00 C ATOM 453 CD LYS A 384 -7.071 -1.512 -7.729 1.00 0.00 C ATOM 454 CE LYS A 384 -6.895 -2.588 -8.790 1.00 0.00 C ATOM 455 NZ LYS A 384 -7.118 -2.056 -10.163 1.00 0.00 N ATOM 0 H LYS A 384 -9.673 -1.447 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.472 -4.010 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.632 -1.621 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.831 -3.090 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.333 -1.287 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.132 -2.898 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.081 -1.106 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.385 -0.689 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.890 -3.005 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.592 -3.404 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.956 -2.509 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.267 -1.028 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.286 -2.259 -10.753 1.00 0.00 H new ATOM 469 N ASP A 385 -9.715 -5.489 -5.623 1.00 0.00 N ATOM 470 CA ASP A 385 -10.503 -6.415 -4.816 1.00 0.00 C ATOM 471 C ASP A 385 -10.188 -6.221 -3.338 1.00 0.00 C ATOM 472 O ASP A 385 -9.379 -5.367 -2.984 1.00 0.00 O ATOM 473 CB ASP A 385 -10.221 -7.862 -5.230 1.00 0.00 C ATOM 474 CG ASP A 385 -10.609 -8.137 -6.670 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.797 -7.958 -7.008 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.724 -8.532 -7.457 1.00 0.00 O ATOM 0 H ASP A 385 -8.979 -5.931 -6.173 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.560 -6.207 -4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.161 -8.076 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.769 -8.538 -4.573 1.00 0.00 H new ATOM 481 N GLN A 386 -10.828 -7.011 -2.478 1.00 0.00 N ATOM 482 CA GLN A 386 -10.608 -6.907 -1.036 1.00 0.00 C ATOM 483 C GLN A 386 -9.117 -6.872 -0.709 1.00 0.00 C ATOM 484 O GLN A 386 -8.645 -5.969 -0.018 1.00 0.00 O ATOM 485 CB GLN A 386 -11.275 -8.075 -0.308 1.00 0.00 C ATOM 486 CG GLN A 386 -11.136 -8.010 1.205 1.00 0.00 C ATOM 487 CD GLN A 386 -11.774 -9.195 1.902 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.407 -10.345 1.657 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.733 -8.921 2.779 1.00 0.00 N ATOM 0 H GLN A 386 -11.500 -7.727 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.056 -5.974 -0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.334 -8.096 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.841 -9.009 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.079 -7.965 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.594 -7.090 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.005 -7.953 2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.197 -9.678 3.281 1.00 0.00 H new ATOM 498 N ASN A 387 -8.380 -7.854 -1.215 1.00 0.00 N ATOM 499 CA ASN A 387 -6.942 -7.930 -0.981 1.00 0.00 C ATOM 500 C ASN A 387 -6.219 -6.770 -1.660 1.00 0.00 C ATOM 501 O ASN A 387 -5.227 -6.255 -1.143 1.00 0.00 O ATOM 502 CB ASN A 387 -6.392 -9.262 -1.495 1.00 0.00 C ATOM 503 CG ASN A 387 -4.907 -9.405 -1.253 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.435 -9.293 -0.121 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.161 -9.666 -2.317 1.00 0.00 N ATOM 0 H ASN A 387 -8.754 -8.609 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.768 -7.863 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.918 -10.082 -1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.593 -9.347 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.153 -9.783 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.595 -9.750 -3.236 1.00 0.00 H new ATOM 512 N GLU A 388 -6.723 -6.367 -2.823 1.00 0.00 N ATOM 513 CA GLU A 388 -6.127 -5.271 -3.580 1.00 0.00 C ATOM 514 C GLU A 388 -6.488 -3.920 -2.976 1.00 0.00 C ATOM 515 O GLU A 388 -5.865 -2.908 -3.298 1.00 0.00 O ATOM 516 CB GLU A 388 -6.566 -5.335 -5.043 1.00 0.00 C ATOM 517 CG GLU A 388 -6.110 -6.596 -5.761 1.00 0.00 C ATOM 518 CD GLU A 388 -6.529 -6.621 -7.217 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.130 -5.705 -7.967 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.255 -7.558 -7.609 1.00 0.00 O ATOM 0 H GLU A 388 -7.544 -6.784 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.044 -5.380 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.653 -5.273 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.174 -4.465 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.025 -6.673 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.522 -7.468 -5.253 1.00 0.00 H new ATOM 527 N CYS A 389 -7.485 -3.905 -2.094 1.00 0.00 N ATOM 528 CA CYS A 389 -7.897 -2.667 -1.448 1.00 0.00 C ATOM 529 C CYS A 389 -6.697 -2.076 -0.719 1.00 0.00 C ATOM 530 O CYS A 389 -6.306 -2.551 0.347 1.00 0.00 O ATOM 531 CB CYS A 389 -9.054 -2.930 -0.478 1.00 0.00 C ATOM 532 SG CYS A 389 -9.985 -1.440 0.013 1.00 0.00 S ATOM 0 H CYS A 389 -8.017 -4.729 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.251 -1.957 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.743 -3.638 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.658 -3.407 0.418 1.00 0.00 H new ATOM 537 N LYS A 390 -6.088 -1.072 -1.335 1.00 0.00 N ATOM 538 CA LYS A 390 -4.892 -0.440 -0.790 1.00 0.00 C ATOM 539 C LYS A 390 -5.176 0.380 0.465 1.00 0.00 C ATOM 540 O LYS A 390 -6.326 0.681 0.786 1.00 0.00 O ATOM 541 CB LYS A 390 -4.230 0.417 -1.862 1.00 0.00 C ATOM 542 CG LYS A 390 -3.695 -0.390 -3.042 1.00 0.00 C ATOM 543 CD LYS A 390 -2.281 -0.907 -2.793 1.00 0.00 C ATOM 544 CE LYS A 390 -2.240 -1.987 -1.722 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.069 -3.167 -2.090 1.00 0.00 N ATOM 0 H LYS A 390 -6.405 -0.675 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.210 -1.235 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.951 1.147 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.410 0.977 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.359 -1.232 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.700 0.232 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.873 -1.305 -3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -1.641 -0.077 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.209 -2.303 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.595 -1.575 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.883 -3.943 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.076 -2.910 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.828 -3.473 -3.054 1.00 0.00 H new ATOM 559 N SER A 391 -4.102 0.707 1.183 1.00 0.00 N ATOM 560 CA SER A 391 -4.188 1.462 2.430 1.00 0.00 C ATOM 561 C SER A 391 -5.025 2.738 2.287 1.00 0.00 C ATOM 562 O SER A 391 -5.976 2.932 3.044 1.00 0.00 O ATOM 563 CB SER A 391 -2.784 1.803 2.935 1.00 0.00 C ATOM 564 OG SER A 391 -2.839 2.477 4.179 1.00 0.00 O ATOM 0 H SER A 391 -3.150 0.456 0.916 1.00 0.00 H new ATOM 0 HA SER A 391 -4.695 0.828 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.200 0.889 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.272 2.427 2.202 1.00 0.00 H new ATOM 0 HG SER A 391 -1.929 2.682 4.480 1.00 0.00 H new ATOM 570 N PRO A 392 -4.703 3.632 1.325 1.00 0.00 N ATOM 571 CA PRO A 392 -5.458 4.868 1.127 1.00 0.00 C ATOM 572 C PRO A 392 -6.944 4.603 0.955 1.00 0.00 C ATOM 573 O PRO A 392 -7.783 5.417 1.342 1.00 0.00 O ATOM 574 CB PRO A 392 -4.855 5.419 -0.163 1.00 0.00 C ATOM 575 CG PRO A 392 -3.473 4.934 -0.140 1.00 0.00 C ATOM 576 CD PRO A 392 -3.599 3.533 0.347 1.00 0.00 C ATOM 0 HA PRO A 392 -5.389 5.548 1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.391 5.058 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.896 6.508 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.018 4.975 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -2.849 5.534 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.835 2.842 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.677 3.180 0.810 1.00 0.00 H new ATOM 584 N CYS A 393 -7.256 3.459 0.358 1.00 0.00 N ATOM 585 CA CYS A 393 -8.638 3.074 0.117 1.00 0.00 C ATOM 586 C CYS A 393 -9.393 2.876 1.429 1.00 0.00 C ATOM 587 O CYS A 393 -8.987 3.371 2.481 1.00 0.00 O ATOM 588 CB CYS A 393 -8.686 1.784 -0.703 1.00 0.00 C ATOM 589 SG CYS A 393 -7.712 1.826 -2.243 1.00 0.00 S ATOM 0 H CYS A 393 -6.567 2.781 0.032 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.120 3.879 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.327 0.962 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.725 1.566 -0.951 1.00 0.00 H new ATOM 594 N LYS A 394 -10.490 2.136 1.351 1.00 0.00 N ATOM 595 CA LYS A 394 -11.318 1.844 2.514 1.00 0.00 C ATOM 596 C LYS A 394 -12.332 0.766 2.166 1.00 0.00 C ATOM 597 O LYS A 394 -13.158 0.937 1.270 1.00 0.00 O ATOM 598 CB LYS A 394 -12.023 3.113 3.000 1.00 0.00 C ATOM 599 CG LYS A 394 -12.960 2.884 4.177 1.00 0.00 C ATOM 600 CD LYS A 394 -13.467 4.198 4.756 1.00 0.00 C ATOM 601 CE LYS A 394 -14.196 5.034 3.714 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.701 6.314 4.285 1.00 0.00 N ATOM 0 H LYS A 394 -10.831 1.722 0.483 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.682 1.480 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.271 3.849 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.591 3.541 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.806 2.277 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.440 2.321 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.138 3.992 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.627 4.767 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.523 5.247 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.031 4.462 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.191 6.855 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.363 6.111 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -13.902 6.871 4.649 1.00 0.00 H new ATOM 616 N TRP A 395 -12.244 -0.359 2.866 1.00 0.00 N ATOM 617 CA TRP A 395 -13.131 -1.485 2.617 1.00 0.00 C ATOM 618 C TRP A 395 -14.558 -1.191 3.067 1.00 0.00 C ATOM 619 O TRP A 395 -14.780 -0.469 4.040 1.00 0.00 O ATOM 620 CB TRP A 395 -12.613 -2.739 3.319 1.00 0.00 C ATOM 621 CG TRP A 395 -13.279 -3.992 2.841 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.900 -4.938 3.604 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.383 -4.437 1.485 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.389 -5.941 2.802 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.083 -5.655 1.498 1.00 0.00 C ATOM 626 CE3 TRP A 395 -12.955 -3.918 0.259 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.363 -6.365 0.333 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.234 -4.624 -0.896 1.00 0.00 C ATOM 629 CH2 TRP A 395 -13.933 -5.835 -0.852 1.00 0.00 C ATOM 0 H TRP A 395 -11.565 -0.514 3.612 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.146 -1.655 1.540 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.538 -2.821 3.159 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.768 -2.638 4.393 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.993 -4.903 4.679 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.897 -6.764 3.125 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.416 -2.983 0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.901 -7.301 0.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -12.907 -4.234 -1.849 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.137 -6.362 -1.772 1.00 0.00 H new ATOM 640 N HIS A 396 -15.522 -1.767 2.353 1.00 0.00 N ATOM 641 CA HIS A 396 -16.932 -1.586 2.673 1.00 0.00 C ATOM 642 C HIS A 396 -17.711 -2.874 2.441 1.00 0.00 C ATOM 643 O HIS A 396 -18.078 -3.194 1.309 1.00 0.00 O ATOM 644 CB HIS A 396 -17.536 -0.460 1.829 1.00 0.00 C ATOM 645 CG HIS A 396 -17.029 0.899 2.191 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.196 1.455 3.443 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.360 1.820 1.460 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.653 2.657 3.465 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.138 2.902 2.275 1.00 0.00 N ATOM 0 H HIS A 396 -15.349 -2.366 1.545 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.003 -1.318 3.727 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.321 -0.650 0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.620 -0.475 1.941 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.666 1.006 4.229 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.057 1.722 0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.633 3.326 4.312 1.00 0.00 H new ATOM 658 N ASN A 397 -17.967 -3.607 3.521 1.00 0.00 N ATOM 659 CA ASN A 397 -18.715 -4.854 3.432 1.00 0.00 C ATOM 660 C ASN A 397 -20.211 -4.571 3.515 1.00 0.00 C ATOM 661 O ASN A 397 -20.799 -4.603 4.597 1.00 0.00 O ATOM 662 CB ASN A 397 -18.294 -5.804 4.560 1.00 0.00 C ATOM 663 CG ASN A 397 -18.944 -7.177 4.460 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.713 -7.407 3.399 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.748 -8.027 5.329 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.668 -3.359 4.464 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.498 -5.329 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.210 -5.920 4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.552 -5.356 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.151 -7.812 6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.182 -8.947 5.250 1.00 0.00 H new ATOM 672 N ASP A 398 -20.816 -4.296 2.360 1.00 0.00 N ATOM 673 CA ASP A 398 -22.246 -4.000 2.277 1.00 0.00 C ATOM 674 C ASP A 398 -22.620 -3.540 0.871 1.00 0.00 C ATOM 675 O ASP A 398 -23.707 -3.845 0.379 1.00 0.00 O ATOM 676 CB ASP A 398 -22.650 -2.930 3.300 1.00 0.00 C ATOM 677 CG ASP A 398 -21.807 -1.671 3.213 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.854 -1.642 2.407 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.095 -0.714 3.962 1.00 0.00 O ATOM 0 H ASP A 398 -20.333 -4.272 1.462 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.787 -4.918 2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.698 -2.669 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.567 -3.347 4.304 1.00 0.00 H new ATOM 684 N ALA A 399 -21.711 -2.804 0.234 1.00 0.00 N ATOM 685 CA ALA A 399 -21.935 -2.296 -1.115 1.00 0.00 C ATOM 686 C ALA A 399 -22.160 -3.439 -2.096 1.00 0.00 C ATOM 687 O ALA A 399 -21.215 -3.926 -2.717 1.00 0.00 O ATOM 688 CB ALA A 399 -20.755 -1.446 -1.551 1.00 0.00 C ATOM 0 H ALA A 399 -20.809 -2.546 0.634 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.833 -1.678 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.930 -1.070 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.639 -0.606 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.848 -2.050 -1.541 1.00 0.00 H new ATOM 694 N GLU A 400 -23.418 -3.866 -2.207 1.00 0.00 N ATOM 695 CA GLU A 400 -23.810 -4.968 -3.084 1.00 0.00 C ATOM 696 C GLU A 400 -23.384 -6.297 -2.473 1.00 0.00 C ATOM 697 O GLU A 400 -24.145 -7.264 -2.475 1.00 0.00 O ATOM 698 CB GLU A 400 -23.201 -4.810 -4.482 1.00 0.00 C ATOM 699 CG GLU A 400 -23.599 -3.519 -5.177 1.00 0.00 C ATOM 700 CD GLU A 400 -22.960 -3.371 -6.545 1.00 0.00 C ATOM 701 OE1 GLU A 400 -22.202 -4.279 -6.950 1.00 0.00 O ATOM 702 OE2 GLU A 400 -23.216 -2.347 -7.212 1.00 0.00 O ATOM 0 H GLU A 400 -24.196 -3.456 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.895 -4.950 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -22.115 -4.850 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.507 -5.654 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.684 -3.486 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -23.313 -2.672 -4.553 1.00 0.00 H new ATOM 709 N ASN A 401 -22.163 -6.319 -1.945 1.00 0.00 N ATOM 710 CA ASN A 401 -21.595 -7.500 -1.314 1.00 0.00 C ATOM 711 C ASN A 401 -20.203 -7.183 -0.782 1.00 0.00 C ATOM 712 O ASN A 401 -19.900 -7.436 0.382 1.00 0.00 O ATOM 713 CB ASN A 401 -21.520 -8.654 -2.313 1.00 0.00 C ATOM 714 CG ASN A 401 -22.725 -9.571 -2.243 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.026 -10.140 -1.193 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.420 -9.723 -3.364 1.00 0.00 N ATOM 0 H ASN A 401 -21.539 -5.512 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 401 -22.237 -7.797 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.435 -8.250 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.617 -9.234 -2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.239 -10.331 -3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.135 -9.232 -4.211 1.00 0.00 H new ATOM 723 N LYS A 402 -19.370 -6.611 -1.652 1.00 0.00 N ATOM 724 CA LYS A 402 -18.001 -6.234 -1.300 1.00 0.00 C ATOM 725 C LYS A 402 -17.503 -5.131 -2.234 1.00 0.00 C ATOM 726 O LYS A 402 -17.479 -5.313 -3.451 1.00 0.00 O ATOM 727 CB LYS A 402 -17.063 -7.445 -1.417 1.00 0.00 C ATOM 728 CG LYS A 402 -17.387 -8.597 -0.475 1.00 0.00 C ATOM 729 CD LYS A 402 -17.153 -8.220 0.979 1.00 0.00 C ATOM 730 CE LYS A 402 -17.427 -9.393 1.907 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.825 -9.890 1.777 1.00 0.00 N ATOM 0 H LYS A 402 -19.624 -6.397 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.002 -5.874 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.094 -7.813 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.042 -7.115 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.426 -8.896 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.772 -9.460 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.124 -7.884 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -17.798 -7.383 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -16.732 -10.202 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.244 -9.091 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.215 -10.081 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.407 -9.170 1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.831 -10.766 1.216 1.00 0.00 H new ATOM 745 N LYS A 403 -17.097 -3.991 -1.669 1.00 0.00 N ATOM 746 CA LYS A 403 -16.598 -2.881 -2.481 1.00 0.00 C ATOM 747 C LYS A 403 -15.553 -2.042 -1.746 1.00 0.00 C ATOM 748 O LYS A 403 -15.725 -1.684 -0.580 1.00 0.00 O ATOM 749 CB LYS A 403 -17.746 -1.982 -2.941 1.00 0.00 C ATOM 750 CG LYS A 403 -18.694 -2.667 -3.910 1.00 0.00 C ATOM 751 CD LYS A 403 -19.548 -1.665 -4.674 1.00 0.00 C ATOM 752 CE LYS A 403 -18.697 -0.733 -5.521 1.00 0.00 C ATOM 753 NZ LYS A 403 -17.876 -1.479 -6.516 1.00 0.00 N ATOM 0 H LYS A 403 -17.104 -3.814 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.115 -3.328 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.308 -1.647 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.333 -1.092 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.120 -3.267 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.341 -3.352 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.251 -2.199 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.139 -1.079 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.342 -0.025 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.042 -0.151 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -17.484 -0.813 -7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.098 -1.968 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -18.472 -2.178 -7.004 1.00 0.00 H new ATOM 767 N CYS A 404 -14.472 -1.726 -2.459 1.00 0.00 N ATOM 768 CA CYS A 404 -13.380 -0.917 -1.922 1.00 0.00 C ATOM 769 C CYS A 404 -13.438 0.496 -2.508 1.00 0.00 C ATOM 770 O CYS A 404 -13.716 0.666 -3.695 1.00 0.00 O ATOM 771 CB CYS A 404 -12.035 -1.577 -2.251 1.00 0.00 C ATOM 772 SG CYS A 404 -10.569 -0.611 -1.755 1.00 0.00 S ATOM 0 H CYS A 404 -14.330 -2.024 -3.424 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.483 -0.849 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -11.994 -2.550 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.988 -1.758 -3.325 1.00 0.00 H new ATOM 777 N THR A 405 -13.191 1.509 -1.677 1.00 0.00 N ATOM 778 CA THR A 405 -13.238 2.897 -2.139 1.00 0.00 C ATOM 779 C THR A 405 -12.166 3.757 -1.472 1.00 0.00 C ATOM 780 O THR A 405 -11.903 3.627 -0.277 1.00 0.00 O ATOM 781 CB THR A 405 -14.614 3.537 -1.869 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.881 3.552 -0.462 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.720 2.783 -2.591 1.00 0.00 C ATOM 0 H THR A 405 -12.959 1.397 -0.690 1.00 0.00 H new ATOM 0 HA THR A 405 -13.054 2.862 -3.213 1.00 0.00 H new ATOM 0 HB THR A 405 -14.590 4.559 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.756 3.961 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.679 3.257 -2.382 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.532 2.801 -3.665 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.742 1.750 -2.244 1.00 0.00 H new ATOM 791 N LEU A 406 -11.559 4.644 -2.260 1.00 0.00 N ATOM 792 CA LEU A 406 -10.522 5.541 -1.765 1.00 0.00 C ATOM 793 C LEU A 406 -11.122 6.616 -0.871 1.00 0.00 C ATOM 794 O LEU A 406 -12.222 7.109 -1.122 1.00 0.00 O ATOM 795 CB LEU A 406 -9.774 6.177 -2.940 1.00 0.00 C ATOM 796 CG LEU A 406 -8.454 6.881 -2.605 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.699 8.218 -1.930 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.580 5.990 -1.739 1.00 0.00 C ATOM 0 H LEU A 406 -11.772 4.759 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.816 4.961 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.570 5.400 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.436 6.900 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.929 7.075 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.744 8.692 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.276 8.861 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.253 8.062 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.647 6.506 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.103 5.759 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.362 5.065 -2.273 1.00 0.00 H new ATOM 810 N ASP A 407 -10.385 6.973 0.169 1.00 0.00 N ATOM 811 CA ASP A 407 -10.832 7.996 1.108 1.00 0.00 C ATOM 812 C ASP A 407 -9.722 9.007 1.374 1.00 0.00 C ATOM 813 O ASP A 407 -8.579 8.634 1.635 1.00 0.00 O ATOM 814 CB ASP A 407 -11.281 7.355 2.423 1.00 0.00 C ATOM 815 CG ASP A 407 -11.819 8.375 3.408 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.807 9.061 3.072 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.252 8.489 4.515 1.00 0.00 O ATOM 0 H ASP A 407 -9.473 6.570 0.386 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.679 8.518 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.051 6.611 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.440 6.828 2.873 1.00 0.00 H new ATOM 822 N LYS A 408 -10.068 10.288 1.299 1.00 0.00 N ATOM 823 CA LYS A 408 -9.103 11.359 1.526 1.00 0.00 C ATOM 824 C LYS A 408 -8.598 11.350 2.965 1.00 0.00 C ATOM 825 O LYS A 408 -7.397 11.465 3.211 1.00 0.00 O ATOM 826 CB LYS A 408 -9.733 12.714 1.201 1.00 0.00 C ATOM 827 CG LYS A 408 -10.151 12.856 -0.254 1.00 0.00 C ATOM 828 CD LYS A 408 -8.948 12.828 -1.185 1.00 0.00 C ATOM 829 CE LYS A 408 -9.367 12.922 -2.643 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.200 11.761 -3.059 1.00 0.00 N ATOM 0 H LYS A 408 -11.011 10.611 1.082 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.252 11.191 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.606 12.862 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.023 13.504 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.835 12.049 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.694 13.791 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.281 13.655 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -8.385 11.908 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.926 13.844 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -8.479 12.975 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.037 11.560 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.941 10.927 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.205 11.983 -2.908 1.00 0.00 H new ATOM 844 N GLU A 409 -9.520 11.211 3.913 1.00 0.00 N ATOM 845 CA GLU A 409 -9.170 11.186 5.326 1.00 0.00 C ATOM 846 C GLU A 409 -8.247 10.012 5.639 1.00 0.00 C ATOM 847 O GLU A 409 -7.321 10.132 6.441 1.00 0.00 O ATOM 848 CB GLU A 409 -10.441 11.101 6.174 1.00 0.00 C ATOM 849 CG GLU A 409 -10.178 10.996 7.666 1.00 0.00 C ATOM 850 CD GLU A 409 -9.480 12.218 8.235 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.335 12.497 7.823 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.081 12.897 9.094 1.00 0.00 O ATOM 0 H GLU A 409 -10.518 11.114 3.725 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.639 12.107 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.053 11.983 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -11.022 10.235 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.125 10.850 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.569 10.113 7.860 1.00 0.00 H new ATOM 859 N GLU A 410 -8.514 8.875 5.005 1.00 0.00 N ATOM 860 CA GLU A 410 -7.716 7.673 5.215 1.00 0.00 C ATOM 861 C GLU A 410 -6.320 7.818 4.613 1.00 0.00 C ATOM 862 O GLU A 410 -5.325 7.477 5.250 1.00 0.00 O ATOM 863 CB GLU A 410 -8.423 6.460 4.606 1.00 0.00 C ATOM 864 CG GLU A 410 -7.684 5.147 4.817 1.00 0.00 C ATOM 865 CD GLU A 410 -7.610 4.740 6.278 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.181 5.456 7.128 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.986 3.698 6.571 1.00 0.00 O ATOM 0 H GLU A 410 -9.279 8.761 4.340 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.607 7.527 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.420 6.378 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.552 6.626 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.182 4.360 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.674 5.236 4.418 1.00 0.00 H new ATOM 874 N ALA A 411 -6.256 8.315 3.382 1.00 0.00 N ATOM 875 CA ALA A 411 -4.981 8.492 2.693 1.00 0.00 C ATOM 876 C ALA A 411 -4.061 9.442 3.449 1.00 0.00 C ATOM 877 O ALA A 411 -2.896 9.127 3.691 1.00 0.00 O ATOM 878 CB ALA A 411 -5.213 8.995 1.276 1.00 0.00 C ATOM 0 H ALA A 411 -7.071 8.602 2.841 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.489 7.520 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.254 9.123 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.817 8.272 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.735 9.951 1.310 1.00 0.00 H new ATOM 884 N LYS A 412 -4.586 10.605 3.821 1.00 0.00 N ATOM 885 CA LYS A 412 -3.800 11.591 4.550 1.00 0.00 C ATOM 886 C LYS A 412 -3.338 11.023 5.888 1.00 0.00 C ATOM 887 O LYS A 412 -2.233 11.309 6.345 1.00 0.00 O ATOM 888 CB LYS A 412 -4.608 12.875 4.762 1.00 0.00 C ATOM 889 CG LYS A 412 -5.867 12.683 5.592 1.00 0.00 C ATOM 890 CD LYS A 412 -6.643 13.984 5.743 1.00 0.00 C ATOM 891 CE LYS A 412 -5.828 15.045 6.468 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.454 14.616 7.844 1.00 0.00 N ATOM 0 H LYS A 412 -5.548 10.886 3.630 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.919 11.834 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.973 13.615 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.885 13.283 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.502 11.932 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.599 12.302 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.928 14.354 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.566 13.796 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.925 15.261 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.402 15.970 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.082 15.431 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.293 14.241 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.725 13.876 7.791 1.00 0.00 H new