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 396 HIS : no HE2:sc= 0.264 K(o=0.54,f=-1.7) USER MOD Set 1.2: A 405 THR OG1 : rot -90:sc= 0.279 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -28:sc= -1.17! USER MOD Single : A 382 ASN :FLIP amide:sc= -0.842 F(o=-3.3!,f=-0.84) USER MOD Single : A 383 LYS NZ :NH3+ 147:sc= -3.33! (180deg=-5.73!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 166:sc= -0.0434 (180deg=-0.299) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 140:sc= 0.443 (180deg=0.00897) USER MOD Single : A 397 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.94!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.617 F(o=-4.6!,f=-0.62) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0411 (180deg=-0.282) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 166:sc= -0.0211 (180deg=-0.265) USER MOD Single : A 412 LYS NZ :NH3+ 178:sc= 0.354 (180deg=0.352) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.410 6.037 -3.867 1.00 0.00 N ATOM 340 CA GLU A 376 -3.993 5.783 -5.176 1.00 0.00 C ATOM 341 C GLU A 376 -5.048 6.832 -5.512 1.00 0.00 C ATOM 342 O GLU A 376 -4.923 7.996 -5.132 1.00 0.00 O ATOM 343 CB GLU A 376 -4.605 4.380 -5.203 1.00 0.00 C ATOM 344 CG GLU A 376 -3.645 3.288 -4.760 1.00 0.00 C ATOM 345 CD GLU A 376 -4.234 1.902 -4.921 1.00 0.00 C ATOM 346 OE1 GLU A 376 -5.324 1.651 -4.364 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.606 1.065 -5.603 1.00 0.00 O ATOM 0 HA GLU A 376 -3.207 5.845 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.483 4.364 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.948 4.162 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.725 3.359 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.376 3.446 -3.716 1.00 0.00 H new ATOM 354 N THR A 377 -6.084 6.414 -6.230 1.00 0.00 N ATOM 355 CA THR A 377 -7.158 7.311 -6.626 1.00 0.00 C ATOM 356 C THR A 377 -8.491 6.580 -6.653 1.00 0.00 C ATOM 357 O THR A 377 -8.535 5.359 -6.799 1.00 0.00 O ATOM 358 CB THR A 377 -6.890 7.930 -8.010 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.845 6.902 -9.007 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.577 8.698 -8.009 1.00 0.00 C ATOM 0 H THR A 377 -6.201 5.453 -6.550 1.00 0.00 H new ATOM 0 HA THR A 377 -7.199 8.110 -5.886 1.00 0.00 H new ATOM 0 HB THR A 377 -7.701 8.622 -8.239 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.676 7.304 -9.884 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.406 9.128 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.623 9.497 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.760 8.021 -7.762 1.00 0.00 H new ATOM 368 N GLU A 378 -9.575 7.335 -6.495 1.00 0.00 N ATOM 369 CA GLU A 378 -10.916 6.763 -6.487 1.00 0.00 C ATOM 370 C GLU A 378 -11.087 5.765 -7.624 1.00 0.00 C ATOM 371 O GLU A 378 -11.698 4.710 -7.455 1.00 0.00 O ATOM 372 CB GLU A 378 -11.963 7.869 -6.608 1.00 0.00 C ATOM 373 CG GLU A 378 -13.396 7.366 -6.516 1.00 0.00 C ATOM 374 CD GLU A 378 -14.416 8.481 -6.633 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.380 9.407 -5.795 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.249 8.429 -7.560 1.00 0.00 O ATOM 0 H GLU A 378 -9.549 8.347 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.055 6.239 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.794 8.605 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.828 8.383 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.571 6.635 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.535 6.850 -5.566 1.00 0.00 H new ATOM 383 N GLY A 379 -10.546 6.114 -8.781 1.00 0.00 N ATOM 384 CA GLY A 379 -10.648 5.250 -9.940 1.00 0.00 C ATOM 385 C GLY A 379 -9.956 3.915 -9.757 1.00 0.00 C ATOM 386 O GLY A 379 -10.483 2.881 -10.168 1.00 0.00 O ATOM 0 H GLY A 379 -10.036 6.983 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.701 5.078 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.218 5.759 -10.803 1.00 0.00 H new ATOM 390 N SER A 380 -8.772 3.928 -9.155 1.00 0.00 N ATOM 391 CA SER A 380 -8.016 2.695 -8.943 1.00 0.00 C ATOM 392 C SER A 380 -8.662 1.815 -7.874 1.00 0.00 C ATOM 393 O SER A 380 -8.801 0.606 -8.057 1.00 0.00 O ATOM 394 CB SER A 380 -6.575 3.019 -8.554 1.00 0.00 C ATOM 395 OG SER A 380 -6.531 3.772 -7.357 1.00 0.00 O ATOM 0 H SER A 380 -8.316 4.771 -8.807 1.00 0.00 H new ATOM 0 HA SER A 380 -8.020 2.139 -9.881 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.012 2.094 -8.427 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.094 3.577 -9.357 1.00 0.00 H new ATOM 0 HG SER A 380 -7.356 4.293 -7.268 1.00 0.00 H new ATOM 401 N CYS A 381 -9.042 2.426 -6.756 1.00 0.00 N ATOM 402 CA CYS A 381 -9.660 1.700 -5.650 1.00 0.00 C ATOM 403 C CYS A 381 -10.889 0.917 -6.103 1.00 0.00 C ATOM 404 O CYS A 381 -11.044 -0.256 -5.765 1.00 0.00 O ATOM 405 CB CYS A 381 -10.050 2.667 -4.536 1.00 0.00 C ATOM 406 SG CYS A 381 -8.641 3.543 -3.786 1.00 0.00 S ATOM 0 H CYS A 381 -8.932 3.427 -6.591 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.925 0.988 -5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.750 3.401 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.577 2.115 -3.758 1.00 0.00 H new ATOM 411 N ASN A 382 -11.760 1.573 -6.864 1.00 0.00 N ATOM 412 CA ASN A 382 -12.979 0.936 -7.356 1.00 0.00 C ATOM 413 C ASN A 382 -12.653 -0.356 -8.094 1.00 0.00 C ATOM 414 O ASN A 382 -13.402 -1.331 -8.024 1.00 0.00 O ATOM 415 CB ASN A 382 -13.741 1.884 -8.286 1.00 0.00 C ATOM 416 CG ASN A 382 -14.136 3.185 -7.611 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.796 3.330 -6.334 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.745 4.057 -8.233 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.645 2.544 -7.154 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.606 0.700 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.123 2.105 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.638 1.383 -8.651 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.988 3.909 -9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.006 4.927 -7.769 1.00 0.00 H new ATOM 425 N LYS A 383 -11.530 -0.351 -8.799 1.00 0.00 N ATOM 426 CA LYS A 383 -11.095 -1.515 -9.555 1.00 0.00 C ATOM 427 C LYS A 383 -10.675 -2.640 -8.619 1.00 0.00 C ATOM 428 O LYS A 383 -10.945 -3.814 -8.881 1.00 0.00 O ATOM 429 CB LYS A 383 -9.934 -1.136 -10.477 1.00 0.00 C ATOM 430 CG LYS A 383 -10.217 0.088 -11.335 1.00 0.00 C ATOM 431 CD LYS A 383 -11.439 -0.102 -12.227 1.00 0.00 C ATOM 432 CE LYS A 383 -11.184 -1.109 -13.341 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.993 -2.490 -12.820 1.00 0.00 N ATOM 0 H LYS A 383 -10.902 0.450 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.931 -1.866 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.046 -0.949 -9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.705 -1.981 -11.127 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.371 0.953 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.347 0.304 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.281 -0.438 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.722 0.856 -12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.023 -1.098 -14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.300 -0.809 -13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.368 -3.175 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.979 -2.668 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.498 -2.593 -11.917 1.00 0.00 H new ATOM 447 N LYS A 384 -9.998 -2.273 -7.534 1.00 0.00 N ATOM 448 CA LYS A 384 -9.519 -3.230 -6.560 1.00 0.00 C ATOM 449 C LYS A 384 -10.634 -4.096 -5.994 1.00 0.00 C ATOM 450 O LYS A 384 -11.785 -4.039 -6.427 1.00 0.00 O ATOM 451 CB LYS A 384 -8.831 -2.480 -5.428 1.00 0.00 C ATOM 452 CG LYS A 384 -7.766 -1.516 -5.911 1.00 0.00 C ATOM 453 CD LYS A 384 -6.699 -2.222 -6.729 1.00 0.00 C ATOM 454 CE LYS A 384 -7.032 -2.239 -8.213 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.913 -2.791 -9.026 1.00 0.00 N ATOM 0 H LYS A 384 -9.770 -1.304 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.821 -3.897 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.579 -1.929 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.378 -3.200 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.229 -0.734 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.303 -1.026 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.740 -1.725 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.587 -3.246 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.929 -2.836 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.258 -1.226 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.179 -2.786 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.064 -2.207 -8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.714 -3.767 -8.726 1.00 0.00 H new ATOM 469 N ASP A 385 -10.259 -4.889 -5.006 1.00 0.00 N ATOM 470 CA ASP A 385 -11.176 -5.786 -4.324 1.00 0.00 C ATOM 471 C ASP A 385 -10.775 -5.901 -2.858 1.00 0.00 C ATOM 472 O ASP A 385 -10.168 -4.986 -2.308 1.00 0.00 O ATOM 473 CB ASP A 385 -11.162 -7.168 -4.982 1.00 0.00 C ATOM 474 CG ASP A 385 -11.661 -7.146 -6.413 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.990 -6.533 -7.269 1.00 0.00 O ATOM 476 OD2 ASP A 385 -12.726 -7.743 -6.679 1.00 0.00 O ATOM 0 H ASP A 385 -9.303 -4.929 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.186 -5.383 -4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.146 -7.563 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.780 -7.849 -4.398 1.00 0.00 H new ATOM 481 N GLN A 386 -11.096 -7.022 -2.226 1.00 0.00 N ATOM 482 CA GLN A 386 -10.742 -7.215 -0.826 1.00 0.00 C ATOM 483 C GLN A 386 -9.227 -7.185 -0.648 1.00 0.00 C ATOM 484 O GLN A 386 -8.685 -6.280 -0.014 1.00 0.00 O ATOM 485 CB GLN A 386 -11.309 -8.541 -0.311 1.00 0.00 C ATOM 486 CG GLN A 386 -11.056 -8.780 1.169 1.00 0.00 C ATOM 487 CD GLN A 386 -11.616 -10.105 1.650 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.212 -11.169 1.182 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.556 -10.047 2.589 1.00 0.00 N ATOM 0 H GLN A 386 -11.594 -7.802 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.175 -6.400 -0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.383 -8.563 -0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.871 -9.360 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -9.983 -8.753 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.503 -7.970 1.746 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -12.862 -9.143 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.971 -10.906 2.949 1.00 0.00 H new ATOM 498 N ASN A 387 -8.552 -8.176 -1.224 1.00 0.00 N ATOM 499 CA ASN A 387 -7.109 -8.276 -1.142 1.00 0.00 C ATOM 500 C ASN A 387 -6.417 -7.263 -2.048 1.00 0.00 C ATOM 501 O ASN A 387 -5.239 -7.414 -2.373 1.00 0.00 O ATOM 502 CB ASN A 387 -6.692 -9.677 -1.546 1.00 0.00 C ATOM 503 CG ASN A 387 -7.253 -10.743 -0.629 1.00 0.00 C ATOM 504 OD1 ASN A 387 -6.989 -10.747 0.574 1.00 0.00 O ATOM 505 ND2 ASN A 387 -8.030 -11.655 -1.195 1.00 0.00 N ATOM 0 H ASN A 387 -8.993 -8.926 -1.757 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.810 -8.063 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.024 -9.870 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.604 -9.741 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -8.437 -12.400 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.221 -11.612 -2.196 1.00 0.00 H new ATOM 512 N GLU A 388 -7.148 -6.238 -2.457 1.00 0.00 N ATOM 513 CA GLU A 388 -6.594 -5.211 -3.330 1.00 0.00 C ATOM 514 C GLU A 388 -6.969 -3.823 -2.834 1.00 0.00 C ATOM 515 O GLU A 388 -6.358 -2.830 -3.229 1.00 0.00 O ATOM 516 CB GLU A 388 -7.077 -5.410 -4.767 1.00 0.00 C ATOM 517 CG GLU A 388 -6.810 -6.805 -5.310 1.00 0.00 C ATOM 518 CD GLU A 388 -7.237 -6.960 -6.756 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.709 -6.220 -7.613 1.00 0.00 O ATOM 520 OE2 GLU A 388 -8.099 -7.820 -7.032 1.00 0.00 O ATOM 0 H GLU A 388 -8.124 -6.094 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.508 -5.301 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.147 -5.210 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.588 -4.679 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.746 -7.027 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.339 -7.536 -4.699 1.00 0.00 H new ATOM 527 N CYS A 389 -7.965 -3.757 -1.954 1.00 0.00 N ATOM 528 CA CYS A 389 -8.389 -2.479 -1.403 1.00 0.00 C ATOM 529 C CYS A 389 -7.229 -1.889 -0.612 1.00 0.00 C ATOM 530 O CYS A 389 -6.958 -2.297 0.518 1.00 0.00 O ATOM 531 CB CYS A 389 -9.625 -2.657 -0.517 1.00 0.00 C ATOM 532 SG CYS A 389 -10.497 -1.103 -0.132 1.00 0.00 S ATOM 0 H CYS A 389 -8.486 -4.564 -1.612 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.664 -1.799 -2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.318 -3.337 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.324 -3.133 0.416 1.00 0.00 H new ATOM 537 N LYS A 390 -6.519 -0.962 -1.240 1.00 0.00 N ATOM 538 CA LYS A 390 -5.346 -0.345 -0.630 1.00 0.00 C ATOM 539 C LYS A 390 -5.700 0.576 0.532 1.00 0.00 C ATOM 540 O LYS A 390 -6.850 0.983 0.697 1.00 0.00 O ATOM 541 CB LYS A 390 -4.550 0.400 -1.692 1.00 0.00 C ATOM 542 CG LYS A 390 -3.941 -0.525 -2.738 1.00 0.00 C ATOM 543 CD LYS A 390 -2.829 -1.380 -2.149 1.00 0.00 C ATOM 544 CE LYS A 390 -2.215 -2.292 -3.198 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.627 -1.519 -4.328 1.00 0.00 N ATOM 0 H LYS A 390 -6.735 -0.619 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.735 -1.144 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.201 1.121 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.754 0.968 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.717 -1.170 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.547 0.068 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.057 -0.736 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.225 -1.980 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.442 -2.907 -2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.977 -2.971 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.019 -2.143 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.390 -1.143 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.061 -0.731 -3.952 1.00 0.00 H new ATOM 559 N SER A 391 -4.688 0.876 1.346 1.00 0.00 N ATOM 560 CA SER A 391 -4.850 1.721 2.518 1.00 0.00 C ATOM 561 C SER A 391 -5.541 3.044 2.182 1.00 0.00 C ATOM 562 O SER A 391 -6.557 3.375 2.794 1.00 0.00 O ATOM 563 CB SER A 391 -3.488 1.975 3.160 1.00 0.00 C ATOM 564 OG SER A 391 -2.883 0.761 3.570 1.00 0.00 O ATOM 0 H SER A 391 -3.736 0.538 1.207 1.00 0.00 H new ATOM 0 HA SER A 391 -5.494 1.196 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.838 2.487 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.605 2.635 4.019 1.00 0.00 H new ATOM 0 HG SER A 391 -2.012 0.951 3.976 1.00 0.00 H new ATOM 570 N PRO A 392 -5.023 3.822 1.206 1.00 0.00 N ATOM 571 CA PRO A 392 -5.627 5.094 0.815 1.00 0.00 C ATOM 572 C PRO A 392 -7.121 4.943 0.579 1.00 0.00 C ATOM 573 O PRO A 392 -7.908 5.841 0.880 1.00 0.00 O ATOM 574 CB PRO A 392 -4.914 5.446 -0.500 1.00 0.00 C ATOM 575 CG PRO A 392 -4.165 4.220 -0.890 1.00 0.00 C ATOM 576 CD PRO A 392 -3.831 3.547 0.396 1.00 0.00 C ATOM 0 HA PRO A 392 -5.518 5.859 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.631 5.729 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.239 6.292 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.769 3.575 -1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.264 4.469 -1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.665 2.478 0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.928 3.957 0.848 1.00 0.00 H new ATOM 584 N CYS A 393 -7.495 3.792 0.039 1.00 0.00 N ATOM 585 CA CYS A 393 -8.887 3.491 -0.248 1.00 0.00 C ATOM 586 C CYS A 393 -9.682 3.316 1.043 1.00 0.00 C ATOM 587 O CYS A 393 -9.262 3.757 2.113 1.00 0.00 O ATOM 588 CB CYS A 393 -8.971 2.212 -1.082 1.00 0.00 C ATOM 589 SG CYS A 393 -7.850 2.176 -2.518 1.00 0.00 S ATOM 0 H CYS A 393 -6.846 3.046 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.315 4.324 -0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.748 1.359 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.996 2.088 -1.433 1.00 0.00 H new ATOM 594 N LYS A 394 -10.821 2.646 0.928 1.00 0.00 N ATOM 595 CA LYS A 394 -11.687 2.371 2.070 1.00 0.00 C ATOM 596 C LYS A 394 -12.507 1.122 1.804 1.00 0.00 C ATOM 597 O LYS A 394 -13.358 1.100 0.913 1.00 0.00 O ATOM 598 CB LYS A 394 -12.615 3.556 2.358 1.00 0.00 C ATOM 599 CG LYS A 394 -11.915 4.755 2.979 1.00 0.00 C ATOM 600 CD LYS A 394 -11.351 4.432 4.356 1.00 0.00 C ATOM 601 CE LYS A 394 -12.452 4.110 5.353 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.908 3.812 6.707 1.00 0.00 N ATOM 0 H LYS A 394 -11.171 2.278 0.043 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.058 2.213 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.089 3.867 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.411 3.227 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.108 5.084 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.618 5.584 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -10.669 3.585 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -10.768 5.279 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.141 4.952 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.026 3.255 4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.520 4.242 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.875 2.782 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.948 4.203 6.789 1.00 0.00 H new ATOM 616 N TRP A 395 -12.235 0.076 2.573 1.00 0.00 N ATOM 617 CA TRP A 395 -12.937 -1.185 2.411 1.00 0.00 C ATOM 618 C TRP A 395 -14.332 -1.121 3.019 1.00 0.00 C ATOM 619 O TRP A 395 -14.520 -0.579 4.109 1.00 0.00 O ATOM 620 CB TRP A 395 -12.143 -2.327 3.049 1.00 0.00 C ATOM 621 CG TRP A 395 -12.691 -3.682 2.720 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.002 -4.677 3.600 1.00 0.00 C ATOM 623 CD2 TRP A 395 -12.987 -4.193 1.415 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.479 -5.774 2.923 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.478 -5.501 1.580 1.00 0.00 C ATOM 626 CE3 TRP A 395 -12.888 -3.669 0.122 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -13.866 -6.291 0.502 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.273 -4.454 -0.947 1.00 0.00 C ATOM 629 CH2 TRP A 395 -13.757 -5.753 -0.752 1.00 0.00 C ATOM 0 H TRP A 395 -11.534 0.078 3.314 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.036 -1.374 1.342 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.107 -2.271 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.138 -2.197 4.131 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -12.890 -4.612 4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -13.784 -6.648 3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.517 -2.667 -0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.240 -7.293 0.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.199 -4.059 -1.950 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.050 -6.343 -1.608 1.00 0.00 H new ATOM 640 N HIS A 396 -15.306 -1.685 2.313 1.00 0.00 N ATOM 641 CA HIS A 396 -16.681 -1.698 2.791 1.00 0.00 C ATOM 642 C HIS A 396 -17.216 -3.123 2.847 1.00 0.00 C ATOM 643 O HIS A 396 -17.649 -3.675 1.832 1.00 0.00 O ATOM 644 CB HIS A 396 -17.574 -0.841 1.891 1.00 0.00 C ATOM 645 CG HIS A 396 -17.127 0.583 1.784 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.024 1.423 2.873 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.755 1.318 0.709 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.610 2.611 2.473 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.439 2.574 1.165 1.00 0.00 N ATOM 0 H HIS A 396 -15.168 -2.138 1.410 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.692 -1.279 3.797 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.599 -1.281 0.894 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.593 -0.865 2.276 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.235 1.166 3.837 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.714 0.979 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.440 3.468 3.108 1.00 0.00 H new ATOM 658 N ASN A 397 -17.185 -3.712 4.040 1.00 0.00 N ATOM 659 CA ASN A 397 -17.673 -5.071 4.236 1.00 0.00 C ATOM 660 C ASN A 397 -19.145 -5.050 4.633 1.00 0.00 C ATOM 661 O ASN A 397 -19.477 -5.030 5.819 1.00 0.00 O ATOM 662 CB ASN A 397 -16.845 -5.779 5.312 1.00 0.00 C ATOM 663 CG ASN A 397 -17.246 -7.231 5.493 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.391 -7.538 5.824 1.00 0.00 O ATOM 665 ND2 ASN A 397 -16.297 -8.137 5.278 1.00 0.00 N ATOM 0 H ASN A 397 -16.826 -3.267 4.885 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.571 -5.618 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -15.789 -5.728 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.961 -5.253 6.260 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -16.506 -9.130 5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -15.360 -7.839 5.005 1.00 0.00 H new ATOM 672 N ASP A 398 -20.018 -5.053 3.628 1.00 0.00 N ATOM 673 CA ASP A 398 -21.464 -5.028 3.844 1.00 0.00 C ATOM 674 C ASP A 398 -22.181 -4.871 2.512 1.00 0.00 C ATOM 675 O ASP A 398 -23.314 -5.325 2.341 1.00 0.00 O ATOM 676 CB ASP A 398 -21.858 -3.881 4.779 1.00 0.00 C ATOM 677 CG ASP A 398 -23.353 -3.822 5.022 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.911 -4.813 5.539 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.968 -2.784 4.696 1.00 0.00 O ATOM 0 H ASP A 398 -19.745 -5.073 2.645 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.757 -5.969 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -21.342 -3.999 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -21.525 -2.936 4.351 1.00 0.00 H new ATOM 684 N ALA A 399 -21.501 -4.217 1.575 1.00 0.00 N ATOM 685 CA ALA A 399 -22.039 -3.974 0.243 1.00 0.00 C ATOM 686 C ALA A 399 -22.626 -5.245 -0.363 1.00 0.00 C ATOM 687 O ALA A 399 -22.284 -6.355 0.046 1.00 0.00 O ATOM 688 CB ALA A 399 -20.948 -3.417 -0.661 1.00 0.00 C ATOM 0 H ALA A 399 -20.563 -3.842 1.718 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.845 -3.245 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.356 -3.237 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.576 -2.480 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.130 -4.134 -0.729 1.00 0.00 H new ATOM 694 N GLU A 400 -23.513 -5.069 -1.341 1.00 0.00 N ATOM 695 CA GLU A 400 -24.156 -6.193 -2.016 1.00 0.00 C ATOM 696 C GLU A 400 -23.122 -7.220 -2.467 1.00 0.00 C ATOM 697 O GLU A 400 -23.436 -8.398 -2.640 1.00 0.00 O ATOM 698 CB GLU A 400 -24.957 -5.698 -3.221 1.00 0.00 C ATOM 699 CG GLU A 400 -26.045 -4.701 -2.859 1.00 0.00 C ATOM 700 CD GLU A 400 -26.810 -4.204 -4.070 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.481 -4.629 -5.198 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.739 -3.388 -3.892 1.00 0.00 O ATOM 0 H GLU A 400 -23.803 -4.153 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.833 -6.672 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.275 -5.236 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.411 -6.553 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.741 -5.166 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.597 -3.851 -2.344 1.00 0.00 H new ATOM 709 N ASN A 401 -21.888 -6.763 -2.652 1.00 0.00 N ATOM 710 CA ASN A 401 -20.803 -7.635 -3.079 1.00 0.00 C ATOM 711 C ASN A 401 -19.451 -7.002 -2.768 1.00 0.00 C ATOM 712 O ASN A 401 -18.522 -7.071 -3.573 1.00 0.00 O ATOM 713 CB ASN A 401 -20.918 -7.932 -4.578 1.00 0.00 C ATOM 714 CG ASN A 401 -20.854 -6.686 -5.450 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.752 -5.513 -4.829 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.900 -6.778 -6.676 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.615 -5.790 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.879 -8.573 -2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.116 -8.611 -4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.858 -8.450 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.978 -7.695 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.860 -5.937 -7.252 1.00 0.00 H new ATOM 723 N LYS A 402 -19.357 -6.384 -1.590 1.00 0.00 N ATOM 724 CA LYS A 402 -18.126 -5.729 -1.149 1.00 0.00 C ATOM 725 C LYS A 402 -17.783 -4.548 -2.053 1.00 0.00 C ATOM 726 O LYS A 402 -17.945 -4.620 -3.271 1.00 0.00 O ATOM 727 CB LYS A 402 -16.959 -6.720 -1.122 1.00 0.00 C ATOM 728 CG LYS A 402 -17.069 -7.791 -0.041 1.00 0.00 C ATOM 729 CD LYS A 402 -18.167 -8.802 -0.342 1.00 0.00 C ATOM 730 CE LYS A 402 -17.863 -9.602 -1.599 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.584 -10.355 -1.486 1.00 0.00 N ATOM 0 H LYS A 402 -20.124 -6.324 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.294 -5.358 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.889 -7.208 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.031 -6.167 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.115 -8.310 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.268 -7.316 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.279 -9.481 0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.118 -8.282 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.678 -10.299 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.812 -8.928 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.536 -11.073 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -15.784 -9.697 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.537 -10.822 -0.558 1.00 0.00 H new ATOM 745 N LYS A 403 -17.316 -3.454 -1.454 1.00 0.00 N ATOM 746 CA LYS A 403 -16.965 -2.266 -2.228 1.00 0.00 C ATOM 747 C LYS A 403 -15.759 -1.533 -1.643 1.00 0.00 C ATOM 748 O LYS A 403 -15.625 -1.403 -0.427 1.00 0.00 O ATOM 749 CB LYS A 403 -18.155 -1.307 -2.305 1.00 0.00 C ATOM 750 CG LYS A 403 -19.357 -1.877 -3.043 1.00 0.00 C ATOM 751 CD LYS A 403 -20.491 -0.866 -3.132 1.00 0.00 C ATOM 752 CE LYS A 403 -20.079 0.371 -3.917 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.186 1.363 -4.012 1.00 0.00 N ATOM 0 H LYS A 403 -17.173 -3.366 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.700 -2.606 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.457 -1.036 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.838 -0.389 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.059 -2.179 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.707 -2.773 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.355 -1.329 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.799 -0.574 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.217 0.834 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.767 0.078 -4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.865 2.191 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -22.000 0.929 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.467 1.663 -3.056 1.00 0.00 H new ATOM 767 N CYS A 404 -14.892 -1.047 -2.528 1.00 0.00 N ATOM 768 CA CYS A 404 -13.698 -0.308 -2.124 1.00 0.00 C ATOM 769 C CYS A 404 -13.679 1.059 -2.806 1.00 0.00 C ATOM 770 O CYS A 404 -13.922 1.160 -4.008 1.00 0.00 O ATOM 771 CB CYS A 404 -12.435 -1.093 -2.489 1.00 0.00 C ATOM 772 SG CYS A 404 -10.880 -0.298 -1.963 1.00 0.00 S ATOM 0 H CYS A 404 -14.995 -1.153 -3.537 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.721 -0.169 -1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.494 -2.084 -2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.409 -1.236 -3.569 1.00 0.00 H new ATOM 777 N THR A 405 -13.406 2.111 -2.036 1.00 0.00 N ATOM 778 CA THR A 405 -13.379 3.465 -2.586 1.00 0.00 C ATOM 779 C THR A 405 -12.282 4.314 -1.952 1.00 0.00 C ATOM 780 O THR A 405 -12.061 4.262 -0.742 1.00 0.00 O ATOM 781 CB THR A 405 -14.731 4.175 -2.384 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.031 4.271 -0.985 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.847 3.423 -3.091 1.00 0.00 C ATOM 0 H THR A 405 -13.202 2.053 -1.038 1.00 0.00 H new ATOM 0 HA THR A 405 -13.175 3.360 -3.652 1.00 0.00 H new ATOM 0 HB THR A 405 -14.657 5.175 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.530 3.476 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.792 3.943 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.633 3.373 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.917 2.413 -2.688 1.00 0.00 H new ATOM 791 N LEU A 406 -11.605 5.100 -2.784 1.00 0.00 N ATOM 792 CA LEU A 406 -10.532 5.971 -2.324 1.00 0.00 C ATOM 793 C LEU A 406 -11.080 7.065 -1.423 1.00 0.00 C ATOM 794 O LEU A 406 -12.172 7.585 -1.647 1.00 0.00 O ATOM 795 CB LEU A 406 -9.798 6.582 -3.521 1.00 0.00 C ATOM 796 CG LEU A 406 -8.475 7.293 -3.214 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.713 8.668 -2.614 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.611 6.444 -2.294 1.00 0.00 C ATOM 0 H LEU A 406 -11.784 5.150 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.825 5.375 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.601 5.789 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.466 7.295 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.943 7.430 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.755 9.146 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.279 9.279 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.276 8.568 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.677 6.966 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.141 6.266 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.395 5.490 -2.775 1.00 0.00 H new ATOM 810 N ASP A 407 -10.308 7.410 -0.404 1.00 0.00 N ATOM 811 CA ASP A 407 -10.704 8.446 0.537 1.00 0.00 C ATOM 812 C ASP A 407 -9.513 9.317 0.917 1.00 0.00 C ATOM 813 O ASP A 407 -8.454 8.811 1.291 1.00 0.00 O ATOM 814 CB ASP A 407 -11.314 7.816 1.790 1.00 0.00 C ATOM 815 CG ASP A 407 -11.826 8.855 2.768 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.719 9.641 2.388 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.335 8.880 3.916 1.00 0.00 O ATOM 0 H ASP A 407 -9.401 6.986 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.452 9.077 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.134 7.158 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.566 7.195 2.282 1.00 0.00 H new ATOM 822 N LYS A 408 -9.692 10.629 0.810 1.00 0.00 N ATOM 823 CA LYS A 408 -8.634 11.580 1.133 1.00 0.00 C ATOM 824 C LYS A 408 -8.251 11.497 2.607 1.00 0.00 C ATOM 825 O LYS A 408 -7.071 11.499 2.952 1.00 0.00 O ATOM 826 CB LYS A 408 -9.081 13.001 0.789 1.00 0.00 C ATOM 827 CG LYS A 408 -9.505 13.169 -0.662 1.00 0.00 C ATOM 828 CD LYS A 408 -9.956 14.593 -0.956 1.00 0.00 C ATOM 829 CE LYS A 408 -8.815 15.587 -0.801 1.00 0.00 C ATOM 830 NZ LYS A 408 -7.698 15.303 -1.745 1.00 0.00 N ATOM 0 H LYS A 408 -10.563 11.060 0.501 1.00 0.00 H new ATOM 0 HA LYS A 408 -7.757 11.325 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.913 13.279 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.266 13.692 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -8.673 12.908 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.316 12.477 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.351 14.648 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.769 14.864 -0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.188 16.597 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -8.442 15.555 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -7.056 16.121 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -7.174 14.465 -1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.083 15.124 -2.695 1.00 0.00 H new ATOM 844 N GLU A 409 -9.260 11.433 3.471 1.00 0.00 N ATOM 845 CA GLU A 409 -9.039 11.360 4.912 1.00 0.00 C ATOM 846 C GLU A 409 -8.230 10.123 5.296 1.00 0.00 C ATOM 847 O GLU A 409 -7.378 10.179 6.183 1.00 0.00 O ATOM 848 CB GLU A 409 -10.379 11.352 5.654 1.00 0.00 C ATOM 849 CG GLU A 409 -11.237 12.582 5.393 1.00 0.00 C ATOM 850 CD GLU A 409 -10.609 13.862 5.913 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.515 14.228 5.432 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.212 14.500 6.801 1.00 0.00 O ATOM 0 H GLU A 409 -10.242 11.430 3.197 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.467 12.242 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.938 10.463 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.190 11.274 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.409 12.677 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.211 12.445 5.862 1.00 0.00 H new ATOM 859 N GLU A 410 -8.511 9.003 4.639 1.00 0.00 N ATOM 860 CA GLU A 410 -7.815 7.755 4.930 1.00 0.00 C ATOM 861 C GLU A 410 -6.386 7.776 4.396 1.00 0.00 C ATOM 862 O GLU A 410 -5.454 7.384 5.094 1.00 0.00 O ATOM 863 CB GLU A 410 -8.577 6.569 4.339 1.00 0.00 C ATOM 864 CG GLU A 410 -7.987 5.219 4.715 1.00 0.00 C ATOM 865 CD GLU A 410 -7.978 4.983 6.213 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.067 4.984 6.823 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.878 4.795 6.778 1.00 0.00 O ATOM 0 H GLU A 410 -9.214 8.934 3.903 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.770 7.647 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.613 6.610 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.590 6.661 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.560 4.429 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.968 5.153 4.335 1.00 0.00 H new ATOM 874 N ALA A 411 -6.219 8.230 3.157 1.00 0.00 N ATOM 875 CA ALA A 411 -4.898 8.291 2.540 1.00 0.00 C ATOM 876 C ALA A 411 -3.943 9.149 3.363 1.00 0.00 C ATOM 877 O ALA A 411 -2.812 8.748 3.633 1.00 0.00 O ATOM 878 CB ALA A 411 -5.000 8.825 1.119 1.00 0.00 C ATOM 0 H ALA A 411 -6.979 8.560 2.562 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.496 7.278 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.006 8.864 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.637 8.167 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.430 9.827 1.137 1.00 0.00 H new ATOM 884 N LYS A 412 -4.406 10.328 3.761 1.00 0.00 N ATOM 885 CA LYS A 412 -3.590 11.237 4.557 1.00 0.00 C ATOM 886 C LYS A 412 -3.282 10.631 5.923 1.00 0.00 C ATOM 887 O LYS A 412 -2.184 10.797 6.455 1.00 0.00 O ATOM 888 CB LYS A 412 -4.297 12.585 4.723 1.00 0.00 C ATOM 889 CG LYS A 412 -5.661 12.480 5.386 1.00 0.00 C ATOM 890 CD LYS A 412 -6.366 13.828 5.450 1.00 0.00 C ATOM 891 CE LYS A 412 -6.609 14.404 4.062 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.298 15.724 4.119 1.00 0.00 N ATOM 0 H LYS A 412 -5.340 10.677 3.546 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.649 11.398 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.665 13.247 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.413 13.048 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.280 11.773 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.545 12.083 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.318 13.716 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -5.765 14.526 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.657 14.514 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.210 13.706 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -7.414 16.097 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.233 15.609 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.729 16.389 4.681 1.00 0.00 H new