USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=15 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 377 THR OG1 : rot -61:sc= 0.943 USER MOD Set 1.2: A 380 SER OG : rot 76:sc= 1.23 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.91 F(o=-2.9!,f=-0.91) USER MOD Single : A 383 LYS NZ :NH3+ 148:sc= -3.13! (180deg=-5.42!) USER MOD Single : A 384 LYS NZ :NH3+ -119:sc= -0.17 (180deg=-2.57!) USER MOD Single : A 386 GLN : amide:sc= -1.89! C(o=-1.9!,f=-1.9!) USER MOD Single : A 387 ASN : amide:sc= -2.97! C(o=-3!,f=-7!) USER MOD Single : A 390 LYS NZ :NH3+ 178:sc= -0.381 (180deg=-0.417) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 170:sc= -0.0142 (180deg=-0.15) USER MOD Single : A 396 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-4.4!) USER MOD Single : A 397 ASN :FLIP amide:sc= -0.561 F(o=-4.2!,f=-0.56) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.25 F(o=-0.45,f=0.25) USER MOD Single : A 402 LYS NZ :NH3+ -168:sc= -0.0437 (180deg=-0.254) USER MOD Single : A 403 LYS NZ :NH3+ -147:sc= -7.27! (180deg=-9.18!) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 LYS NZ :NH3+ 166:sc= -0.041 (180deg=-0.238) USER MOD Single : A 412 LYS NZ :NH3+ 157:sc= -0.0963 (180deg=-0.616) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -4.146 6.117 -3.928 1.00 0.00 N ATOM 340 CA GLU A 376 -5.148 6.664 -3.021 1.00 0.00 C ATOM 341 C GLU A 376 -6.232 7.434 -3.757 1.00 0.00 C ATOM 342 O GLU A 376 -6.319 8.661 -3.678 1.00 0.00 O ATOM 343 CB GLU A 376 -4.487 7.556 -1.978 1.00 0.00 C ATOM 344 CG GLU A 376 -3.644 8.666 -2.580 1.00 0.00 C ATOM 345 CD GLU A 376 -2.867 9.445 -1.537 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.037 8.831 -0.833 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.088 10.669 -1.423 1.00 0.00 O ATOM 0 HA GLU A 376 -5.628 5.820 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.258 7.997 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.859 6.943 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.947 8.237 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.291 9.349 -3.130 1.00 0.00 H new ATOM 354 N THR A 377 -7.071 6.692 -4.446 1.00 0.00 N ATOM 355 CA THR A 377 -8.187 7.263 -5.184 1.00 0.00 C ATOM 356 C THR A 377 -9.340 6.278 -5.224 1.00 0.00 C ATOM 357 O THR A 377 -9.134 5.070 -5.347 1.00 0.00 O ATOM 358 CB THR A 377 -7.810 7.644 -6.626 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.300 6.501 -7.320 1.00 0.00 O ATOM 360 CG2 THR A 377 -6.779 8.763 -6.648 1.00 0.00 C ATOM 0 H THR A 377 -7.003 5.677 -4.513 1.00 0.00 H new ATOM 0 HA THR A 377 -8.476 8.174 -4.660 1.00 0.00 H new ATOM 0 HB THR A 377 -8.711 7.999 -7.126 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.491 6.179 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 377 -6.532 9.010 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.187 9.643 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.878 8.438 -6.128 1.00 0.00 H new ATOM 368 N GLU A 378 -10.551 6.798 -5.111 1.00 0.00 N ATOM 369 CA GLU A 378 -11.741 5.958 -5.128 1.00 0.00 C ATOM 370 C GLU A 378 -11.761 5.101 -6.382 1.00 0.00 C ATOM 371 O GLU A 378 -12.172 3.943 -6.355 1.00 0.00 O ATOM 372 CB GLU A 378 -12.999 6.821 -5.060 1.00 0.00 C ATOM 373 CG GLU A 378 -14.286 6.017 -4.982 1.00 0.00 C ATOM 374 CD GLU A 378 -15.518 6.897 -4.884 1.00 0.00 C ATOM 375 OE1 GLU A 378 -15.753 7.695 -5.815 1.00 0.00 O ATOM 376 OE2 GLU A 378 -16.248 6.787 -3.876 1.00 0.00 O ATOM 0 H GLU A 378 -10.738 7.795 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.718 5.304 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.935 7.474 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -13.036 7.465 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -14.367 5.381 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -14.246 5.357 -4.116 1.00 0.00 H new ATOM 383 N GLY A 379 -11.314 5.692 -7.478 1.00 0.00 N ATOM 384 CA GLY A 379 -11.285 4.990 -8.743 1.00 0.00 C ATOM 385 C GLY A 379 -10.308 3.833 -8.772 1.00 0.00 C ATOM 386 O GLY A 379 -10.575 2.814 -9.409 1.00 0.00 O ATOM 0 H GLY A 379 -10.969 6.651 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.285 4.616 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -11.025 5.694 -9.534 1.00 0.00 H new ATOM 390 N SER A 380 -9.172 3.981 -8.098 1.00 0.00 N ATOM 391 CA SER A 380 -8.172 2.933 -8.081 1.00 0.00 C ATOM 392 C SER A 380 -8.593 1.760 -7.208 1.00 0.00 C ATOM 393 O SER A 380 -8.482 0.605 -7.613 1.00 0.00 O ATOM 394 CB SER A 380 -6.849 3.491 -7.589 1.00 0.00 C ATOM 395 OG SER A 380 -6.293 4.398 -8.524 1.00 0.00 O ATOM 0 H SER A 380 -8.927 4.813 -7.561 1.00 0.00 H new ATOM 0 HA SER A 380 -8.062 2.564 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.997 3.995 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.150 2.673 -7.413 1.00 0.00 H new ATOM 0 HG SER A 380 -6.770 5.253 -8.474 1.00 0.00 H new ATOM 401 N CYS A 381 -9.055 2.059 -6.001 1.00 0.00 N ATOM 402 CA CYS A 381 -9.459 1.016 -5.068 1.00 0.00 C ATOM 403 C CYS A 381 -10.593 0.156 -5.615 1.00 0.00 C ATOM 404 O CYS A 381 -10.577 -1.065 -5.459 1.00 0.00 O ATOM 405 CB CYS A 381 -9.873 1.607 -3.731 1.00 0.00 C ATOM 406 SG CYS A 381 -10.258 0.333 -2.501 1.00 0.00 S ATOM 0 H CYS A 381 -9.159 3.010 -5.647 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.587 0.377 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -9.071 2.242 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.745 2.246 -3.874 1.00 0.00 H new ATOM 411 N ASN A 382 -11.574 0.787 -6.252 1.00 0.00 N ATOM 412 CA ASN A 382 -12.707 0.053 -6.812 1.00 0.00 C ATOM 413 C ASN A 382 -12.211 -1.072 -7.707 1.00 0.00 C ATOM 414 O ASN A 382 -12.902 -2.069 -7.921 1.00 0.00 O ATOM 415 CB ASN A 382 -13.614 0.987 -7.616 1.00 0.00 C ATOM 416 CG ASN A 382 -14.247 2.077 -6.770 1.00 0.00 C ATOM 417 OD1 ASN A 382 -14.004 2.042 -5.464 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.957 2.939 -7.285 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.609 1.797 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.281 -0.368 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.034 1.447 -8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.401 0.400 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.119 2.931 -8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.384 3.662 -6.705 1.00 0.00 H new ATOM 425 N LYS A 383 -11.003 -0.897 -8.226 1.00 0.00 N ATOM 426 CA LYS A 383 -10.389 -1.879 -9.100 1.00 0.00 C ATOM 427 C LYS A 383 -9.604 -2.903 -8.289 1.00 0.00 C ATOM 428 O LYS A 383 -9.504 -4.070 -8.671 1.00 0.00 O ATOM 429 CB LYS A 383 -9.466 -1.173 -10.093 1.00 0.00 C ATOM 430 CG LYS A 383 -10.080 0.085 -10.695 1.00 0.00 C ATOM 431 CD LYS A 383 -11.357 -0.212 -11.471 1.00 0.00 C ATOM 432 CE LYS A 383 -11.075 -0.919 -12.792 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.463 -2.263 -12.598 1.00 0.00 N ATOM 0 H LYS A 383 -10.426 -0.074 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.172 -2.405 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.535 -0.910 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.210 -1.864 -10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.298 0.797 -9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.356 0.559 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.015 -0.832 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.887 0.720 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.005 -1.024 -13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.408 -0.303 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.768 -2.897 -13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.427 -2.178 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.766 -2.654 -11.683 1.00 0.00 H new ATOM 447 N LYS A 384 -9.036 -2.454 -7.172 1.00 0.00 N ATOM 448 CA LYS A 384 -8.250 -3.320 -6.310 1.00 0.00 C ATOM 449 C LYS A 384 -9.126 -4.302 -5.547 1.00 0.00 C ATOM 450 O LYS A 384 -10.093 -3.910 -4.892 1.00 0.00 O ATOM 451 CB LYS A 384 -7.448 -2.463 -5.332 1.00 0.00 C ATOM 452 CG LYS A 384 -6.171 -1.860 -5.912 1.00 0.00 C ATOM 453 CD LYS A 384 -6.351 -1.317 -7.324 1.00 0.00 C ATOM 454 CE LYS A 384 -6.015 -2.365 -8.376 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.123 -1.822 -9.758 1.00 0.00 N ATOM 0 H LYS A 384 -9.109 -1.490 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 384 -7.575 -3.904 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.084 -1.655 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.186 -3.072 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -5.829 -1.055 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.389 -2.619 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.380 -0.984 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.713 -0.444 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.003 -2.734 -8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.687 -3.216 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.845 -2.354 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.394 -0.819 -9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.206 -1.914 -10.240 1.00 0.00 H new ATOM 469 N ASP A 385 -8.769 -5.581 -5.617 1.00 0.00 N ATOM 470 CA ASP A 385 -9.509 -6.617 -4.911 1.00 0.00 C ATOM 471 C ASP A 385 -9.365 -6.414 -3.411 1.00 0.00 C ATOM 472 O ASP A 385 -8.645 -5.519 -2.972 1.00 0.00 O ATOM 473 CB ASP A 385 -9.005 -8.006 -5.308 1.00 0.00 C ATOM 474 CG ASP A 385 -9.134 -8.270 -6.797 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.624 -7.376 -7.519 1.00 0.00 O ATOM 476 OD2 ASP A 385 -8.745 -9.371 -7.240 1.00 0.00 O ATOM 0 H ASP A 385 -7.973 -5.923 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 385 -10.562 -6.546 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -7.960 -8.107 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -9.565 -8.763 -4.759 1.00 0.00 H new ATOM 481 N GLN A 386 -10.048 -7.239 -2.626 1.00 0.00 N ATOM 482 CA GLN A 386 -9.987 -7.126 -1.171 1.00 0.00 C ATOM 483 C GLN A 386 -8.538 -7.009 -0.700 1.00 0.00 C ATOM 484 O GLN A 386 -8.187 -6.079 0.026 1.00 0.00 O ATOM 485 CB GLN A 386 -10.667 -8.336 -0.520 1.00 0.00 C ATOM 486 CG GLN A 386 -10.904 -8.187 0.978 1.00 0.00 C ATOM 487 CD GLN A 386 -9.619 -8.153 1.783 1.00 0.00 C ATOM 488 OE1 GLN A 386 -8.822 -9.090 1.743 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.415 -7.071 2.525 1.00 0.00 N ATOM 0 H GLN A 386 -10.648 -7.990 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 386 -10.517 -6.222 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -11.624 -8.510 -1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.054 -9.220 -0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.465 -7.271 1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.522 -9.015 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.103 -6.318 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.571 -6.993 3.092 1.00 0.00 H new ATOM 498 N ASN A 387 -7.700 -7.945 -1.130 1.00 0.00 N ATOM 499 CA ASN A 387 -6.295 -7.941 -0.762 1.00 0.00 C ATOM 500 C ASN A 387 -5.564 -6.757 -1.395 1.00 0.00 C ATOM 501 O ASN A 387 -4.653 -6.186 -0.797 1.00 0.00 O ATOM 502 CB ASN A 387 -5.651 -9.258 -1.185 1.00 0.00 C ATOM 503 CG ASN A 387 -5.810 -9.541 -2.666 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.289 -8.813 -3.510 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.538 -10.604 -2.988 1.00 0.00 N ATOM 0 H ASN A 387 -7.974 -8.718 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.218 -7.836 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -4.590 -9.235 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.095 -10.074 -0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.684 -10.844 -3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -6.952 -11.180 -2.255 1.00 0.00 H new ATOM 512 N GLU A 388 -5.976 -6.392 -2.607 1.00 0.00 N ATOM 513 CA GLU A 388 -5.369 -5.275 -3.327 1.00 0.00 C ATOM 514 C GLU A 388 -5.788 -3.947 -2.721 1.00 0.00 C ATOM 515 O GLU A 388 -5.162 -2.919 -2.981 1.00 0.00 O ATOM 516 CB GLU A 388 -5.749 -5.320 -4.808 1.00 0.00 C ATOM 517 CG GLU A 388 -5.242 -6.558 -5.529 1.00 0.00 C ATOM 518 CD GLU A 388 -5.616 -6.571 -6.998 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.202 -5.642 -7.724 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.320 -7.510 -7.425 1.00 0.00 O ATOM 0 H GLU A 388 -6.731 -6.856 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.287 -5.368 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -6.834 -5.277 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.353 -4.434 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.157 -6.611 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.648 -7.447 -5.047 1.00 0.00 H new ATOM 527 N CYS A 389 -6.842 -3.966 -1.912 1.00 0.00 N ATOM 528 CA CYS A 389 -7.310 -2.745 -1.282 1.00 0.00 C ATOM 529 C CYS A 389 -6.179 -2.129 -0.477 1.00 0.00 C ATOM 530 O CYS A 389 -5.795 -2.637 0.577 1.00 0.00 O ATOM 531 CB CYS A 389 -8.513 -3.017 -0.388 1.00 0.00 C ATOM 532 SG CYS A 389 -9.340 -1.504 0.188 1.00 0.00 S ATOM 0 H CYS A 389 -7.379 -4.802 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 389 -7.625 -2.047 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.231 -3.630 -0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.190 -3.598 0.476 1.00 0.00 H new ATOM 537 N LYS A 390 -5.630 -1.049 -1.007 1.00 0.00 N ATOM 538 CA LYS A 390 -4.513 -0.363 -0.380 1.00 0.00 C ATOM 539 C LYS A 390 -4.923 0.377 0.893 1.00 0.00 C ATOM 540 O LYS A 390 -6.108 0.570 1.164 1.00 0.00 O ATOM 541 CB LYS A 390 -3.866 0.567 -1.393 1.00 0.00 C ATOM 542 CG LYS A 390 -3.232 -0.187 -2.556 1.00 0.00 C ATOM 543 CD LYS A 390 -2.840 0.750 -3.686 1.00 0.00 C ATOM 544 CE LYS A 390 -2.111 0.008 -4.794 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.896 -1.153 -5.298 1.00 0.00 N ATOM 0 H LYS A 390 -5.944 -0.625 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 390 -3.783 -1.108 -0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.616 1.258 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.105 1.168 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -2.350 -0.723 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.932 -0.935 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.732 1.227 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.203 1.544 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.908 0.693 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.146 -0.340 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.378 -1.611 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.039 -1.836 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.820 -0.824 -5.644 1.00 0.00 H new ATOM 559 N SER A 391 -3.917 0.753 1.681 1.00 0.00 N ATOM 560 CA SER A 391 -4.116 1.435 2.953 1.00 0.00 C ATOM 561 C SER A 391 -5.065 2.638 2.861 1.00 0.00 C ATOM 562 O SER A 391 -5.986 2.752 3.670 1.00 0.00 O ATOM 563 CB SER A 391 -2.763 1.880 3.502 1.00 0.00 C ATOM 564 OG SER A 391 -1.893 0.774 3.675 1.00 0.00 O ATOM 0 H SER A 391 -2.937 0.591 1.451 1.00 0.00 H new ATOM 0 HA SER A 391 -4.591 0.722 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.310 2.600 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.904 2.389 4.456 1.00 0.00 H new ATOM 0 HG SER A 391 -1.033 1.086 4.026 1.00 0.00 H new ATOM 570 N PRO A 392 -4.864 3.562 1.897 1.00 0.00 N ATOM 571 CA PRO A 392 -5.719 4.742 1.754 1.00 0.00 C ATOM 572 C PRO A 392 -7.199 4.384 1.672 1.00 0.00 C ATOM 573 O PRO A 392 -8.063 5.140 2.119 1.00 0.00 O ATOM 574 CB PRO A 392 -5.251 5.368 0.431 1.00 0.00 C ATOM 575 CG PRO A 392 -4.418 4.333 -0.232 1.00 0.00 C ATOM 576 CD PRO A 392 -3.804 3.555 0.879 1.00 0.00 C ATOM 0 HA PRO A 392 -5.633 5.408 2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -6.101 5.645 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.677 6.277 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.023 3.692 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.654 4.787 -0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.545 2.542 0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.889 4.021 1.243 1.00 0.00 H new ATOM 584 N CYS A 393 -7.480 3.236 1.075 1.00 0.00 N ATOM 585 CA CYS A 393 -8.851 2.774 0.904 1.00 0.00 C ATOM 586 C CYS A 393 -9.403 2.156 2.191 1.00 0.00 C ATOM 587 O CYS A 393 -8.742 2.152 3.229 1.00 0.00 O ATOM 588 CB CYS A 393 -8.902 1.762 -0.237 1.00 0.00 C ATOM 589 SG CYS A 393 -10.580 1.371 -0.812 1.00 0.00 S ATOM 0 H CYS A 393 -6.774 2.604 0.699 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.478 3.633 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.323 2.148 -1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -8.417 0.841 0.087 1.00 0.00 H new ATOM 594 N LYS A 394 -10.625 1.629 2.102 1.00 0.00 N ATOM 595 CA LYS A 394 -11.296 0.997 3.235 1.00 0.00 C ATOM 596 C LYS A 394 -12.351 0.016 2.732 1.00 0.00 C ATOM 597 O LYS A 394 -13.125 0.335 1.830 1.00 0.00 O ATOM 598 CB LYS A 394 -11.947 2.055 4.128 1.00 0.00 C ATOM 599 CG LYS A 394 -12.691 1.475 5.320 1.00 0.00 C ATOM 600 CD LYS A 394 -13.301 2.565 6.188 1.00 0.00 C ATOM 601 CE LYS A 394 -14.286 3.414 5.406 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.430 2.612 4.890 1.00 0.00 N ATOM 0 H LYS A 394 -11.175 1.629 1.243 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.555 0.455 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.177 2.737 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.641 2.645 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.478 0.807 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.007 0.874 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.807 2.112 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.509 3.199 6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.663 4.213 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.771 3.890 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.159 3.250 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.098 1.979 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.834 2.046 5.663 1.00 0.00 H new ATOM 616 N TRP A 395 -12.367 -1.185 3.303 1.00 0.00 N ATOM 617 CA TRP A 395 -13.315 -2.214 2.888 1.00 0.00 C ATOM 618 C TRP A 395 -14.753 -1.815 3.197 1.00 0.00 C ATOM 619 O TRP A 395 -15.099 -1.555 4.350 1.00 0.00 O ATOM 620 CB TRP A 395 -12.990 -3.544 3.575 1.00 0.00 C ATOM 621 CG TRP A 395 -13.755 -4.710 3.020 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.463 -5.642 3.726 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.879 -5.075 1.641 1.00 0.00 C ATOM 624 NE1 TRP A 395 -15.020 -6.560 2.867 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.674 -6.232 1.580 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.393 -4.531 0.453 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.993 -6.853 0.373 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.706 -5.141 -0.742 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.501 -6.295 -0.777 1.00 0.00 C ATOM 0 H TRP A 395 -11.736 -1.469 4.052 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.221 -2.328 1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.922 -3.742 3.479 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.203 -3.455 4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.569 -5.655 4.801 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.597 -7.355 3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.779 -3.643 0.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.606 -7.742 0.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.333 -4.724 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.730 -6.752 -1.728 1.00 0.00 H new ATOM 640 N HIS A 396 -15.595 -1.790 2.164 1.00 0.00 N ATOM 641 CA HIS A 396 -16.999 -1.446 2.343 1.00 0.00 C ATOM 642 C HIS A 396 -17.855 -2.704 2.271 1.00 0.00 C ATOM 643 O HIS A 396 -18.110 -3.240 1.184 1.00 0.00 O ATOM 644 CB HIS A 396 -17.462 -0.440 1.288 1.00 0.00 C ATOM 645 CG HIS A 396 -18.837 0.098 1.541 1.00 0.00 C ATOM 646 ND1 HIS A 396 -19.955 -0.706 1.631 1.00 0.00 N ATOM 647 CD2 HIS A 396 -19.272 1.367 1.731 1.00 0.00 C ATOM 648 CE1 HIS A 396 -21.017 0.046 1.863 1.00 0.00 C ATOM 649 NE2 HIS A 396 -20.630 1.306 1.928 1.00 0.00 N ATOM 0 H HIS A 396 -15.329 -2.003 1.203 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.112 -0.985 3.324 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -16.756 0.390 1.254 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -17.441 -0.917 0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -18.664 2.260 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -22.030 -0.310 1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -21.241 2.105 2.097 1.00 0.00 H new ATOM 658 N ASN A 397 -18.292 -3.167 3.439 1.00 0.00 N ATOM 659 CA ASN A 397 -19.123 -4.359 3.531 1.00 0.00 C ATOM 660 C ASN A 397 -20.546 -4.067 3.075 1.00 0.00 C ATOM 661 O ASN A 397 -21.092 -2.996 3.347 1.00 0.00 O ATOM 662 CB ASN A 397 -19.123 -4.913 4.962 1.00 0.00 C ATOM 663 CG ASN A 397 -19.552 -3.898 6.012 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.806 -2.660 5.599 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -19.647 -4.227 7.195 1.00 0.00 N flip ATOM 0 H ASN A 397 -18.082 -2.731 4.337 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.700 -5.114 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.790 -5.774 5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.122 -5.271 5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.444 -5.187 7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.929 -3.540 7.894 1.00 0.00 H new ATOM 672 N ASP A 398 -21.138 -5.023 2.370 1.00 0.00 N ATOM 673 CA ASP A 398 -22.496 -4.874 1.863 1.00 0.00 C ATOM 674 C ASP A 398 -22.611 -3.635 0.979 1.00 0.00 C ATOM 675 O ASP A 398 -23.629 -2.943 0.995 1.00 0.00 O ATOM 676 CB ASP A 398 -23.494 -4.791 3.020 1.00 0.00 C ATOM 677 CG ASP A 398 -23.474 -6.027 3.898 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.689 -6.953 3.604 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.245 -6.071 4.880 1.00 0.00 O ATOM 0 H ASP A 398 -20.697 -5.913 2.136 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.731 -5.751 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.268 -3.915 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.498 -4.651 2.619 1.00 0.00 H new ATOM 684 N ALA A 399 -21.564 -3.368 0.202 1.00 0.00 N ATOM 685 CA ALA A 399 -21.554 -2.219 -0.698 1.00 0.00 C ATOM 686 C ALA A 399 -22.598 -2.410 -1.798 1.00 0.00 C ATOM 687 O ALA A 399 -23.525 -3.205 -1.643 1.00 0.00 O ATOM 688 CB ALA A 399 -20.157 -2.033 -1.292 1.00 0.00 C ATOM 0 H ALA A 399 -20.714 -3.931 0.178 1.00 0.00 H new ATOM 0 HA ALA A 399 -21.809 -1.319 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.158 -1.174 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.439 -1.866 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.876 -2.927 -1.849 1.00 0.00 H new ATOM 694 N GLU A 400 -22.440 -1.708 -2.919 1.00 0.00 N ATOM 695 CA GLU A 400 -23.375 -1.852 -4.032 1.00 0.00 C ATOM 696 C GLU A 400 -23.411 -3.309 -4.469 1.00 0.00 C ATOM 697 O GLU A 400 -24.389 -3.790 -5.042 1.00 0.00 O ATOM 698 CB GLU A 400 -22.964 -0.959 -5.204 1.00 0.00 C ATOM 699 CG GLU A 400 -23.029 0.527 -4.892 1.00 0.00 C ATOM 700 CD GLU A 400 -24.426 0.982 -4.519 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.343 0.821 -5.351 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.603 1.496 -3.395 1.00 0.00 O ATOM 0 H GLU A 400 -21.684 -1.043 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.368 -1.543 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -21.948 -1.214 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.611 -1.171 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.346 0.753 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -22.686 1.092 -5.759 1.00 0.00 H new ATOM 709 N ASN A 401 -22.317 -3.995 -4.171 1.00 0.00 N ATOM 710 CA ASN A 401 -22.146 -5.403 -4.489 1.00 0.00 C ATOM 711 C ASN A 401 -20.848 -5.882 -3.857 1.00 0.00 C ATOM 712 O ASN A 401 -20.105 -6.672 -4.439 1.00 0.00 O ATOM 713 CB ASN A 401 -22.110 -5.604 -6.005 1.00 0.00 C ATOM 714 CG ASN A 401 -20.978 -4.836 -6.660 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.315 -3.719 -7.291 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -19.814 -5.226 -6.576 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.514 -3.583 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 401 -22.983 -5.979 -4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -22.002 -6.666 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -23.059 -5.284 -6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.601 -6.092 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.062 -4.684 -7.002 1.00 0.00 H new ATOM 723 N LYS A 402 -20.581 -5.355 -2.660 1.00 0.00 N ATOM 724 CA LYS A 402 -19.366 -5.667 -1.915 1.00 0.00 C ATOM 725 C LYS A 402 -18.166 -5.074 -2.637 1.00 0.00 C ATOM 726 O LYS A 402 -17.836 -5.500 -3.744 1.00 0.00 O ATOM 727 CB LYS A 402 -19.191 -7.183 -1.763 1.00 0.00 C ATOM 728 CG LYS A 402 -20.344 -7.868 -1.041 1.00 0.00 C ATOM 729 CD LYS A 402 -20.465 -7.402 0.402 1.00 0.00 C ATOM 730 CE LYS A 402 -19.220 -7.743 1.208 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.961 -9.208 1.237 1.00 0.00 N ATOM 0 H LYS A 402 -21.202 -4.701 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 402 -19.445 -5.234 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -19.080 -7.627 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -18.267 -7.380 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -21.276 -7.663 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -20.196 -8.948 -1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.630 -6.325 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -21.336 -7.867 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.359 -7.231 0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.335 -7.375 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.236 -9.418 1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.839 -9.711 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.627 -9.520 0.303 1.00 0.00 H new ATOM 745 N LYS A 403 -17.514 -4.082 -2.025 1.00 0.00 N ATOM 746 CA LYS A 403 -16.361 -3.456 -2.671 1.00 0.00 C ATOM 747 C LYS A 403 -15.617 -2.502 -1.743 1.00 0.00 C ATOM 748 O LYS A 403 -16.208 -1.887 -0.860 1.00 0.00 O ATOM 749 CB LYS A 403 -16.799 -2.701 -3.929 1.00 0.00 C ATOM 750 CG LYS A 403 -17.687 -1.501 -3.644 1.00 0.00 C ATOM 751 CD LYS A 403 -18.072 -0.779 -4.925 1.00 0.00 C ATOM 752 CE LYS A 403 -18.879 0.476 -4.633 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.117 0.174 -3.864 1.00 0.00 N ATOM 0 H LYS A 403 -17.756 -3.704 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 403 -15.677 -4.262 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -15.913 -2.366 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.332 -3.388 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.588 -1.828 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.167 -0.812 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.172 -0.514 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.653 -1.447 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.265 1.180 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.144 0.963 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.869 0.836 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.422 -0.800 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.927 0.274 -2.846 1.00 0.00 H new ATOM 767 N CYS A 404 -14.311 -2.384 -1.964 1.00 0.00 N ATOM 768 CA CYS A 404 -13.474 -1.499 -1.166 1.00 0.00 C ATOM 769 C CYS A 404 -13.563 -0.066 -1.694 1.00 0.00 C ATOM 770 O CYS A 404 -13.372 0.173 -2.886 1.00 0.00 O ATOM 771 CB CYS A 404 -12.019 -1.980 -1.192 1.00 0.00 C ATOM 772 SG CYS A 404 -11.253 -2.086 0.462 1.00 0.00 S ATOM 0 H CYS A 404 -13.810 -2.893 -2.692 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.832 -1.516 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -11.978 -2.961 -1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.432 -1.302 -1.812 1.00 0.00 H new ATOM 777 N THR A 405 -13.860 0.884 -0.807 1.00 0.00 N ATOM 778 CA THR A 405 -13.979 2.286 -1.205 1.00 0.00 C ATOM 779 C THR A 405 -12.921 3.161 -0.539 1.00 0.00 C ATOM 780 O THR A 405 -12.701 3.086 0.671 1.00 0.00 O ATOM 781 CB THR A 405 -15.373 2.848 -0.889 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.672 2.670 0.501 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.432 2.162 -1.738 1.00 0.00 C ATOM 0 H THR A 405 -14.022 0.710 0.185 1.00 0.00 H new ATOM 0 HA THR A 405 -13.822 2.309 -2.283 1.00 0.00 H new ATOM 0 HB THR A 405 -15.376 3.913 -1.122 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.562 3.033 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.413 2.574 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 405 -16.216 2.328 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.428 1.092 -1.530 1.00 0.00 H new ATOM 791 N LEU A 406 -12.267 3.983 -1.354 1.00 0.00 N ATOM 792 CA LEU A 406 -11.218 4.884 -0.897 1.00 0.00 C ATOM 793 C LEU A 406 -11.767 5.919 0.078 1.00 0.00 C ATOM 794 O LEU A 406 -12.903 6.377 -0.058 1.00 0.00 O ATOM 795 CB LEU A 406 -10.587 5.569 -2.113 1.00 0.00 C ATOM 796 CG LEU A 406 -9.293 6.348 -1.863 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.572 7.673 -1.176 1.00 0.00 C ATOM 798 CD2 LEU A 406 -8.315 5.517 -1.053 1.00 0.00 C ATOM 0 H LEU A 406 -12.452 4.042 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.460 4.308 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -10.387 4.808 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -11.321 6.254 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.841 6.564 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.634 8.203 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -10.225 8.278 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -10.058 7.491 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.402 6.089 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.763 5.261 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -8.076 4.603 -1.597 1.00 0.00 H new ATOM 810 N ASP A 407 -10.948 6.290 1.055 1.00 0.00 N ATOM 811 CA ASP A 407 -11.343 7.281 2.048 1.00 0.00 C ATOM 812 C ASP A 407 -10.351 8.437 2.058 1.00 0.00 C ATOM 813 O ASP A 407 -9.139 8.224 2.075 1.00 0.00 O ATOM 814 CB ASP A 407 -11.428 6.648 3.439 1.00 0.00 C ATOM 815 CG ASP A 407 -11.912 7.627 4.491 1.00 0.00 C ATOM 816 OD1 ASP A 407 -13.045 8.135 4.352 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.160 7.886 5.454 1.00 0.00 O ATOM 0 H ASP A 407 -10.006 5.919 1.181 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.329 7.662 1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.102 5.792 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.446 6.269 3.723 1.00 0.00 H new ATOM 822 N LYS A 408 -10.868 9.659 2.031 1.00 0.00 N ATOM 823 CA LYS A 408 -10.016 10.842 2.021 1.00 0.00 C ATOM 824 C LYS A 408 -9.212 10.962 3.314 1.00 0.00 C ATOM 825 O LYS A 408 -8.004 11.174 3.275 1.00 0.00 O ATOM 826 CB LYS A 408 -10.850 12.106 1.783 1.00 0.00 C ATOM 827 CG LYS A 408 -11.931 12.345 2.825 1.00 0.00 C ATOM 828 CD LYS A 408 -12.772 13.564 2.484 1.00 0.00 C ATOM 829 CE LYS A 408 -13.856 13.801 3.523 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.285 14.040 4.877 1.00 0.00 N ATOM 0 H LYS A 408 -11.869 9.857 2.016 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.308 10.734 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.184 12.969 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -11.317 12.040 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.573 11.466 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.471 12.481 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.131 14.443 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.229 13.429 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -14.461 14.658 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -14.521 12.938 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.022 14.427 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.935 13.143 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.499 14.718 4.808 1.00 0.00 H new ATOM 844 N GLU A 409 -9.884 10.822 4.456 1.00 0.00 N ATOM 845 CA GLU A 409 -9.222 10.919 5.754 1.00 0.00 C ATOM 846 C GLU A 409 -8.056 9.940 5.852 1.00 0.00 C ATOM 847 O GLU A 409 -6.981 10.280 6.357 1.00 0.00 O ATOM 848 CB GLU A 409 -10.227 10.651 6.875 1.00 0.00 C ATOM 849 CG GLU A 409 -9.624 10.748 8.266 1.00 0.00 C ATOM 850 CD GLU A 409 -10.635 10.477 9.365 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.811 10.212 9.039 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.250 10.532 10.551 1.00 0.00 O ATOM 0 H GLU A 409 -10.886 10.641 4.508 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.826 11.929 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.048 11.363 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.652 9.656 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.802 10.037 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.201 11.743 8.405 1.00 0.00 H new ATOM 859 N GLU A 410 -8.269 8.728 5.356 1.00 0.00 N ATOM 860 CA GLU A 410 -7.234 7.705 5.379 1.00 0.00 C ATOM 861 C GLU A 410 -6.099 8.097 4.449 1.00 0.00 C ATOM 862 O GLU A 410 -4.928 8.031 4.820 1.00 0.00 O ATOM 863 CB GLU A 410 -7.804 6.345 4.976 1.00 0.00 C ATOM 864 CG GLU A 410 -8.857 5.821 5.937 1.00 0.00 C ATOM 865 CD GLU A 410 -9.350 4.438 5.563 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.848 4.273 4.432 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.238 3.521 6.404 1.00 0.00 O ATOM 0 H GLU A 410 -9.148 8.430 4.934 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.850 7.624 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.239 6.423 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.990 5.623 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.443 5.795 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.701 6.511 5.957 1.00 0.00 H new ATOM 874 N ALA A 411 -6.461 8.523 3.244 1.00 0.00 N ATOM 875 CA ALA A 411 -5.477 8.949 2.261 1.00 0.00 C ATOM 876 C ALA A 411 -4.546 10.000 2.857 1.00 0.00 C ATOM 877 O ALA A 411 -3.356 10.037 2.543 1.00 0.00 O ATOM 878 CB ALA A 411 -6.172 9.492 1.021 1.00 0.00 C ATOM 0 H ALA A 411 -7.428 8.582 2.926 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.878 8.086 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.424 9.807 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.798 8.714 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.793 10.345 1.296 1.00 0.00 H new ATOM 884 N LYS A 412 -5.095 10.853 3.723 1.00 0.00 N ATOM 885 CA LYS A 412 -4.306 11.899 4.363 1.00 0.00 C ATOM 886 C LYS A 412 -3.252 11.287 5.276 1.00 0.00 C ATOM 887 O LYS A 412 -2.082 11.665 5.236 1.00 0.00 O ATOM 888 CB LYS A 412 -5.193 12.846 5.184 1.00 0.00 C ATOM 889 CG LYS A 412 -6.484 13.277 4.498 1.00 0.00 C ATOM 890 CD LYS A 412 -6.297 13.507 3.008 1.00 0.00 C ATOM 891 CE LYS A 412 -7.493 14.222 2.400 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.698 15.568 3.002 1.00 0.00 N ATOM 0 H LYS A 412 -6.078 10.838 3.994 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.821 12.471 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.445 12.358 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.616 13.737 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -7.247 12.514 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.851 14.193 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -5.396 14.096 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.150 12.550 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.348 14.323 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.389 13.619 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.233 16.166 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.229 15.473 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.775 16.006 3.196 1.00 0.00 H new