USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc=-0.000981 K(o=-0.62,f=-6!) USER MOD Set 1.2: A 403 LYS NZ :NH3+ -117:sc= -0.681 (180deg=-3.64!) USER MOD Set 1.3: A 405 THR OG1 : rot 108:sc= 0.0625 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.927 F(o=-4.1!,f=-0.93) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc=0.000718 X(o=0.00072,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -167:sc= -0.0452 (180deg=-0.25) USER MOD Single : A 397 ASN :FLIP amide:sc= 0.496 F(o=-1.3,f=0.5) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.32 F(o=-0.35,f=0.32) USER MOD Single : A 402 LYS NZ :NH3+ 166:sc= -0.0507 (180deg=-0.318) USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0318 (180deg=-0.321) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.333 6.011 -4.138 1.00 0.00 N ATOM 340 CA GLU A 376 -4.365 6.530 -3.244 1.00 0.00 C ATOM 341 C GLU A 376 -5.377 7.407 -3.968 1.00 0.00 C ATOM 342 O GLU A 376 -5.599 8.562 -3.607 1.00 0.00 O ATOM 343 CB GLU A 376 -3.739 7.305 -2.091 1.00 0.00 C ATOM 344 CG GLU A 376 -2.567 8.198 -2.487 1.00 0.00 C ATOM 345 CD GLU A 376 -2.966 9.341 -3.400 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.743 10.212 -2.956 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.501 9.365 -4.559 1.00 0.00 O ATOM 0 HA GLU A 376 -4.901 5.666 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.508 7.922 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.399 6.596 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.109 8.605 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.809 7.592 -2.984 1.00 0.00 H new ATOM 354 N THR A 377 -6.003 6.835 -4.971 1.00 0.00 N ATOM 355 CA THR A 377 -7.015 7.539 -5.744 1.00 0.00 C ATOM 356 C THR A 377 -8.290 6.715 -5.838 1.00 0.00 C ATOM 357 O THR A 377 -8.244 5.487 -5.920 1.00 0.00 O ATOM 358 CB THR A 377 -6.527 7.869 -7.164 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.186 6.664 -7.860 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.323 8.798 -7.123 1.00 0.00 C ATOM 0 H THR A 377 -5.831 5.877 -5.277 1.00 0.00 H new ATOM 0 HA THR A 377 -7.216 8.474 -5.220 1.00 0.00 H new ATOM 0 HB THR A 377 -7.336 8.374 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.878 6.884 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.997 9.016 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.597 9.727 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.511 8.318 -6.577 1.00 0.00 H new ATOM 368 N GLU A 378 -9.427 7.401 -5.823 1.00 0.00 N ATOM 369 CA GLU A 378 -10.722 6.739 -5.905 1.00 0.00 C ATOM 370 C GLU A 378 -10.771 5.816 -7.112 1.00 0.00 C ATOM 371 O GLU A 378 -11.310 4.712 -7.047 1.00 0.00 O ATOM 372 CB GLU A 378 -11.840 7.778 -5.994 1.00 0.00 C ATOM 373 CG GLU A 378 -13.236 7.175 -5.965 1.00 0.00 C ATOM 374 CD GLU A 378 -14.326 8.228 -6.036 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.363 8.979 -7.033 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.144 8.299 -5.094 1.00 0.00 O ATOM 0 H GLU A 378 -9.477 8.417 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.864 6.142 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.739 8.480 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.720 8.351 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.347 6.485 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.357 6.592 -5.052 1.00 0.00 H new ATOM 383 N GLY A 379 -10.197 6.283 -8.213 1.00 0.00 N ATOM 384 CA GLY A 379 -10.176 5.502 -9.433 1.00 0.00 C ATOM 385 C GLY A 379 -9.440 4.185 -9.286 1.00 0.00 C ATOM 386 O GLY A 379 -9.831 3.186 -9.889 1.00 0.00 O ATOM 0 H GLY A 379 -9.743 7.194 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.201 5.305 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.706 6.087 -10.223 1.00 0.00 H new ATOM 390 N SER A 380 -8.369 4.178 -8.497 1.00 0.00 N ATOM 391 CA SER A 380 -7.588 2.964 -8.298 1.00 0.00 C ATOM 392 C SER A 380 -8.329 1.961 -7.420 1.00 0.00 C ATOM 393 O SER A 380 -8.398 0.773 -7.737 1.00 0.00 O ATOM 394 CB SER A 380 -6.241 3.300 -7.675 1.00 0.00 C ATOM 395 OG SER A 380 -5.465 2.132 -7.471 1.00 0.00 O ATOM 0 H SER A 380 -8.025 4.993 -7.989 1.00 0.00 H new ATOM 0 HA SER A 380 -7.431 2.508 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.700 3.991 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.394 3.809 -6.723 1.00 0.00 H new ATOM 0 HG SER A 380 -4.604 2.377 -7.071 1.00 0.00 H new ATOM 401 N CYS A 381 -8.870 2.450 -6.311 1.00 0.00 N ATOM 402 CA CYS A 381 -9.590 1.606 -5.364 1.00 0.00 C ATOM 403 C CYS A 381 -10.771 0.892 -6.014 1.00 0.00 C ATOM 404 O CYS A 381 -10.977 -0.302 -5.794 1.00 0.00 O ATOM 405 CB CYS A 381 -10.065 2.444 -4.181 1.00 0.00 C ATOM 406 SG CYS A 381 -8.708 3.238 -3.264 1.00 0.00 S ATOM 0 H CYS A 381 -8.823 3.433 -6.044 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.901 0.837 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.748 3.213 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.631 1.809 -3.500 1.00 0.00 H new ATOM 411 N ASN A 382 -11.544 1.624 -6.809 1.00 0.00 N ATOM 412 CA ASN A 382 -12.704 1.048 -7.485 1.00 0.00 C ATOM 413 C ASN A 382 -12.303 -0.195 -8.266 1.00 0.00 C ATOM 414 O ASN A 382 -13.067 -1.154 -8.370 1.00 0.00 O ATOM 415 CB ASN A 382 -13.333 2.069 -8.435 1.00 0.00 C ATOM 416 CG ASN A 382 -13.763 3.343 -7.733 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.549 3.410 -6.424 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.286 4.264 -8.363 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.390 2.614 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.435 0.771 -6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.618 2.316 -9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.198 1.619 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.434 4.175 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.571 5.115 -7.879 1.00 0.00 H new ATOM 425 N LYS A 383 -11.096 -0.162 -8.814 1.00 0.00 N ATOM 426 CA LYS A 383 -10.574 -1.273 -9.594 1.00 0.00 C ATOM 427 C LYS A 383 -10.198 -2.445 -8.695 1.00 0.00 C ATOM 428 O LYS A 383 -10.394 -3.606 -9.058 1.00 0.00 O ATOM 429 CB LYS A 383 -9.355 -0.816 -10.393 1.00 0.00 C ATOM 430 CG LYS A 383 -9.619 0.420 -11.240 1.00 0.00 C ATOM 431 CD LYS A 383 -10.698 0.170 -12.284 1.00 0.00 C ATOM 432 CE LYS A 383 -10.285 -0.910 -13.273 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.347 -1.173 -14.283 1.00 0.00 N ATOM 0 H LYS A 383 -10.457 0.629 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.353 -1.607 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.535 -0.608 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.029 -1.629 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.922 1.245 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.697 0.725 -11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.623 -0.125 -11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -10.906 1.095 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.369 -0.607 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.061 -1.830 -12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.027 -1.915 -14.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.214 -1.487 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.543 -0.302 -14.816 1.00 0.00 H new ATOM 447 N LYS A 384 -9.632 -2.133 -7.532 1.00 0.00 N ATOM 448 CA LYS A 384 -9.200 -3.150 -6.590 1.00 0.00 C ATOM 449 C LYS A 384 -10.337 -4.061 -6.162 1.00 0.00 C ATOM 450 O LYS A 384 -11.465 -3.968 -6.649 1.00 0.00 O ATOM 451 CB LYS A 384 -8.602 -2.489 -5.356 1.00 0.00 C ATOM 452 CG LYS A 384 -7.714 -1.299 -5.668 1.00 0.00 C ATOM 453 CD LYS A 384 -6.444 -1.674 -6.420 1.00 0.00 C ATOM 454 CE LYS A 384 -6.684 -1.969 -7.894 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.414 -2.273 -8.611 1.00 0.00 N ATOM 0 H LYS A 384 -9.463 -1.176 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.453 -3.761 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.411 -2.165 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.022 -3.229 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.279 -0.579 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.443 -0.803 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.724 -0.861 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.996 -2.549 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.366 -2.814 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.170 -1.113 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.619 -2.468 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.772 -1.457 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.963 -3.106 -8.181 1.00 0.00 H new ATOM 469 N ASP A 385 -10.010 -4.927 -5.223 1.00 0.00 N ATOM 470 CA ASP A 385 -10.951 -5.877 -4.655 1.00 0.00 C ATOM 471 C ASP A 385 -10.630 -6.047 -3.180 1.00 0.00 C ATOM 472 O ASP A 385 -9.796 -5.321 -2.648 1.00 0.00 O ATOM 473 CB ASP A 385 -10.852 -7.226 -5.370 1.00 0.00 C ATOM 474 CG ASP A 385 -11.227 -7.146 -6.838 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.527 -6.441 -7.594 1.00 0.00 O ATOM 476 OD2 ASP A 385 -12.222 -7.791 -7.232 1.00 0.00 O ATOM 0 H ASP A 385 -9.072 -4.993 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.967 -5.503 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.834 -7.605 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.504 -7.944 -4.872 1.00 0.00 H new ATOM 481 N GLN A 386 -11.263 -7.004 -2.516 1.00 0.00 N ATOM 482 CA GLN A 386 -10.987 -7.227 -1.102 1.00 0.00 C ATOM 483 C GLN A 386 -9.493 -7.431 -0.890 1.00 0.00 C ATOM 484 O GLN A 386 -8.873 -6.775 -0.053 1.00 0.00 O ATOM 485 CB GLN A 386 -11.763 -8.440 -0.585 1.00 0.00 C ATOM 486 CG GLN A 386 -11.556 -8.709 0.897 1.00 0.00 C ATOM 487 CD GLN A 386 -12.410 -9.852 1.409 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.315 -10.978 0.922 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.249 -9.566 2.397 1.00 0.00 N ATOM 0 H GLN A 386 -11.959 -7.629 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.310 -6.349 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.826 -8.288 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.462 -9.321 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.505 -8.937 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.788 -7.806 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.294 -8.618 2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.849 -10.295 2.784 1.00 0.00 H new ATOM 498 N ASN A 387 -8.921 -8.335 -1.675 1.00 0.00 N ATOM 499 CA ASN A 387 -7.502 -8.639 -1.601 1.00 0.00 C ATOM 500 C ASN A 387 -6.651 -7.473 -2.105 1.00 0.00 C ATOM 501 O ASN A 387 -5.505 -7.308 -1.683 1.00 0.00 O ATOM 502 CB ASN A 387 -7.204 -9.896 -2.419 1.00 0.00 C ATOM 503 CG ASN A 387 -5.724 -10.191 -2.511 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.053 -10.394 -1.498 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.207 -10.219 -3.730 1.00 0.00 N ATOM 0 H ASN A 387 -9.427 -8.875 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.245 -8.810 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.713 -10.748 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.610 -9.777 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.214 -10.415 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.802 -10.045 -4.540 1.00 0.00 H new ATOM 512 N GLU A 388 -7.203 -6.677 -3.017 1.00 0.00 N ATOM 513 CA GLU A 388 -6.474 -5.544 -3.582 1.00 0.00 C ATOM 514 C GLU A 388 -6.857 -4.230 -2.914 1.00 0.00 C ATOM 515 O GLU A 388 -6.395 -3.165 -3.325 1.00 0.00 O ATOM 516 CB GLU A 388 -6.720 -5.450 -5.089 1.00 0.00 C ATOM 517 CG GLU A 388 -6.273 -6.683 -5.853 1.00 0.00 C ATOM 518 CD GLU A 388 -6.513 -6.562 -7.345 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.957 -5.631 -7.964 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.258 -7.401 -7.896 1.00 0.00 O ATOM 0 H GLU A 388 -8.149 -6.794 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.414 -5.717 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.783 -5.288 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.195 -4.579 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.212 -6.853 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.805 -7.555 -5.472 1.00 0.00 H new ATOM 527 N CYS A 389 -7.693 -4.297 -1.884 1.00 0.00 N ATOM 528 CA CYS A 389 -8.105 -3.090 -1.184 1.00 0.00 C ATOM 529 C CYS A 389 -6.896 -2.489 -0.474 1.00 0.00 C ATOM 530 O CYS A 389 -6.508 -2.936 0.606 1.00 0.00 O ATOM 531 CB CYS A 389 -9.227 -3.405 -0.193 1.00 0.00 C ATOM 532 SG CYS A 389 -10.272 -1.972 0.235 1.00 0.00 S ATOM 0 H CYS A 389 -8.093 -5.162 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.492 -2.364 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.858 -4.188 -0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.788 -3.806 0.721 1.00 0.00 H new ATOM 537 N LYS A 390 -6.279 -1.500 -1.115 1.00 0.00 N ATOM 538 CA LYS A 390 -5.079 -0.858 -0.582 1.00 0.00 C ATOM 539 C LYS A 390 -5.370 -0.002 0.647 1.00 0.00 C ATOM 540 O LYS A 390 -6.513 0.371 0.907 1.00 0.00 O ATOM 541 CB LYS A 390 -4.411 -0.018 -1.664 1.00 0.00 C ATOM 542 CG LYS A 390 -4.004 -0.825 -2.889 1.00 0.00 C ATOM 543 CD LYS A 390 -3.320 0.045 -3.930 1.00 0.00 C ATOM 544 CE LYS A 390 -2.898 -0.770 -5.143 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.179 0.062 -6.148 1.00 0.00 N ATOM 0 H LYS A 390 -6.592 -1.123 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.403 -1.652 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.093 0.775 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.528 0.465 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.333 -1.630 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.886 -1.292 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.996 0.841 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.446 0.523 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.255 -1.590 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.779 -1.217 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.908 -0.530 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.801 0.830 -6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.325 0.468 -5.715 1.00 0.00 H new ATOM 559 N SER A 391 -4.311 0.286 1.405 1.00 0.00 N ATOM 560 CA SER A 391 -4.417 1.082 2.627 1.00 0.00 C ATOM 561 C SER A 391 -5.159 2.397 2.391 1.00 0.00 C ATOM 562 O SER A 391 -6.114 2.700 3.106 1.00 0.00 O ATOM 563 CB SER A 391 -3.029 1.362 3.201 1.00 0.00 C ATOM 564 OG SER A 391 -3.116 2.084 4.417 1.00 0.00 O ATOM 0 H SER A 391 -3.363 -0.023 1.191 1.00 0.00 H new ATOM 0 HA SER A 391 -4.995 0.499 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.505 0.421 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.441 1.929 2.479 1.00 0.00 H new ATOM 0 HG SER A 391 -2.215 2.249 4.765 1.00 0.00 H new ATOM 570 N PRO A 392 -4.752 3.202 1.385 1.00 0.00 N ATOM 571 CA PRO A 392 -5.412 4.472 1.083 1.00 0.00 C ATOM 572 C PRO A 392 -6.913 4.297 0.953 1.00 0.00 C ATOM 573 O PRO A 392 -7.697 5.163 1.348 1.00 0.00 O ATOM 574 CB PRO A 392 -4.812 4.868 -0.275 1.00 0.00 C ATOM 575 CG PRO A 392 -4.141 3.642 -0.779 1.00 0.00 C ATOM 576 CD PRO A 392 -3.645 2.964 0.446 1.00 0.00 C ATOM 0 HA PRO A 392 -5.260 5.216 1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.587 5.204 -0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.103 5.689 -0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.834 3.008 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.323 3.886 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.468 1.901 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.708 3.393 0.801 1.00 0.00 H new ATOM 584 N CYS A 393 -7.299 3.164 0.388 1.00 0.00 N ATOM 585 CA CYS A 393 -8.699 2.842 0.182 1.00 0.00 C ATOM 586 C CYS A 393 -9.404 2.576 1.507 1.00 0.00 C ATOM 587 O CYS A 393 -8.958 3.013 2.568 1.00 0.00 O ATOM 588 CB CYS A 393 -8.812 1.609 -0.715 1.00 0.00 C ATOM 589 SG CYS A 393 -7.846 1.711 -2.255 1.00 0.00 S ATOM 0 H CYS A 393 -6.653 2.446 0.061 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.181 3.695 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.486 0.734 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.861 1.453 -0.968 1.00 0.00 H new ATOM 594 N LYS A 394 -10.500 1.836 1.427 1.00 0.00 N ATOM 595 CA LYS A 394 -11.284 1.471 2.597 1.00 0.00 C ATOM 596 C LYS A 394 -12.295 0.400 2.223 1.00 0.00 C ATOM 597 O LYS A 394 -13.206 0.638 1.431 1.00 0.00 O ATOM 598 CB LYS A 394 -12.001 2.696 3.174 1.00 0.00 C ATOM 599 CG LYS A 394 -12.837 2.385 4.406 1.00 0.00 C ATOM 600 CD LYS A 394 -13.523 3.626 4.953 1.00 0.00 C ATOM 601 CE LYS A 394 -12.512 4.648 5.444 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.699 4.125 6.578 1.00 0.00 N ATOM 0 H LYS A 394 -10.871 1.472 0.549 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.611 1.080 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.260 3.454 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.645 3.125 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.588 1.636 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.200 1.952 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.145 4.072 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.186 3.346 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.852 4.929 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.033 5.552 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.183 4.909 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.326 3.679 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.020 3.421 6.223 1.00 0.00 H new ATOM 616 N TRP A 395 -12.116 -0.787 2.787 1.00 0.00 N ATOM 617 CA TRP A 395 -13.000 -1.903 2.500 1.00 0.00 C ATOM 618 C TRP A 395 -14.383 -1.676 3.096 1.00 0.00 C ATOM 619 O TRP A 395 -14.513 -1.340 4.274 1.00 0.00 O ATOM 620 CB TRP A 395 -12.408 -3.205 3.042 1.00 0.00 C ATOM 621 CG TRP A 395 -13.186 -4.420 2.641 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.745 -5.349 3.470 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.482 -4.843 1.304 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.378 -6.319 2.732 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.229 -6.032 1.400 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.191 -4.330 0.037 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.685 -6.717 0.277 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.646 -5.010 -1.078 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.386 -6.191 -0.951 1.00 0.00 C ATOM 0 H TRP A 395 -11.366 -0.999 3.445 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.101 -1.979 1.417 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.382 -3.305 2.687 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.365 -3.152 4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.697 -5.325 4.549 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.878 -7.122 3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.621 -3.419 -0.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.254 -7.630 0.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.427 -4.623 -2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.729 -6.698 -1.841 1.00 0.00 H new ATOM 640 N HIS A 396 -15.415 -1.876 2.282 1.00 0.00 N ATOM 641 CA HIS A 396 -16.786 -1.705 2.743 1.00 0.00 C ATOM 642 C HIS A 396 -17.532 -3.029 2.723 1.00 0.00 C ATOM 643 O HIS A 396 -17.886 -3.540 1.653 1.00 0.00 O ATOM 644 CB HIS A 396 -17.527 -0.679 1.884 1.00 0.00 C ATOM 645 CG HIS A 396 -16.943 0.698 1.965 1.00 0.00 C ATOM 646 ND1 HIS A 396 -16.817 1.390 3.151 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.453 1.514 1.003 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.277 2.572 2.915 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.046 2.673 1.620 1.00 0.00 N ATOM 0 H HIS A 396 -15.328 -2.155 1.305 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.747 -1.339 3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.516 -1.010 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.571 -0.642 2.195 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.393 1.295 -0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.061 3.327 3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.633 3.480 1.153 1.00 0.00 H new ATOM 658 N ASN A 397 -17.775 -3.572 3.915 1.00 0.00 N ATOM 659 CA ASN A 397 -18.495 -4.828 4.054 1.00 0.00 C ATOM 660 C ASN A 397 -19.977 -4.562 4.296 1.00 0.00 C ATOM 661 O ASN A 397 -20.433 -4.483 5.436 1.00 0.00 O ATOM 662 CB ASN A 397 -17.897 -5.662 5.194 1.00 0.00 C ATOM 663 CG ASN A 397 -17.650 -4.850 6.453 1.00 0.00 C ATOM 664 OD1 ASN A 397 -16.391 -4.773 6.866 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.576 -4.299 7.048 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.481 -3.157 4.799 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.395 -5.395 3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.571 -6.487 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.957 -6.102 4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.530 -4.383 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -18.389 -3.758 7.892 1.00 0.00 H new ATOM 672 N ASP A 398 -20.717 -4.423 3.202 1.00 0.00 N ATOM 673 CA ASP A 398 -22.151 -4.155 3.250 1.00 0.00 C ATOM 674 C ASP A 398 -22.671 -3.904 1.843 1.00 0.00 C ATOM 675 O ASP A 398 -23.853 -4.100 1.556 1.00 0.00 O ATOM 676 CB ASP A 398 -22.452 -2.944 4.141 1.00 0.00 C ATOM 677 CG ASP A 398 -21.732 -1.689 3.686 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.989 -1.234 2.551 1.00 0.00 O ATOM 679 OD2 ASP A 398 -20.912 -1.161 4.465 1.00 0.00 O ATOM 0 H ASP A 398 -20.341 -4.493 2.257 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.652 -5.025 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.526 -2.760 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.163 -3.172 5.167 1.00 0.00 H new ATOM 684 N ALA A 399 -21.763 -3.470 0.970 1.00 0.00 N ATOM 685 CA ALA A 399 -22.090 -3.184 -0.421 1.00 0.00 C ATOM 686 C ALA A 399 -22.901 -4.320 -1.037 1.00 0.00 C ATOM 687 O ALA A 399 -22.868 -5.450 -0.549 1.00 0.00 O ATOM 688 CB ALA A 399 -20.809 -2.950 -1.217 1.00 0.00 C ATOM 0 H ALA A 399 -20.785 -3.308 1.208 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.700 -2.281 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.060 -2.737 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.267 -2.104 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.184 -3.842 -1.171 1.00 0.00 H new ATOM 694 N GLU A 400 -23.629 -4.012 -2.111 1.00 0.00 N ATOM 695 CA GLU A 400 -24.450 -5.007 -2.797 1.00 0.00 C ATOM 696 C GLU A 400 -23.665 -6.297 -3.007 1.00 0.00 C ATOM 697 O GLU A 400 -24.240 -7.381 -3.113 1.00 0.00 O ATOM 698 CB GLU A 400 -24.938 -4.469 -4.146 1.00 0.00 C ATOM 699 CG GLU A 400 -26.035 -3.412 -4.045 1.00 0.00 C ATOM 700 CD GLU A 400 -25.601 -2.158 -3.309 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.406 -2.224 -2.078 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.456 -1.105 -3.968 1.00 0.00 O ATOM 0 H GLU A 400 -23.666 -3.080 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.316 -5.220 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.089 -4.044 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.308 -5.302 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.360 -3.140 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.898 -3.842 -3.536 1.00 0.00 H new ATOM 709 N ASN A 401 -22.345 -6.165 -3.056 1.00 0.00 N ATOM 710 CA ASN A 401 -21.460 -7.304 -3.241 1.00 0.00 C ATOM 711 C ASN A 401 -20.063 -6.962 -2.739 1.00 0.00 C ATOM 712 O ASN A 401 -19.063 -7.442 -3.273 1.00 0.00 O ATOM 713 CB ASN A 401 -21.414 -7.692 -4.718 1.00 0.00 C ATOM 714 CG ASN A 401 -20.863 -6.577 -5.586 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.745 -5.913 -6.319 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -19.664 -6.300 -5.577 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.862 -5.271 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.840 -8.150 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.798 -8.583 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.418 -7.951 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.021 -6.838 -4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.314 -5.532 -6.150 1.00 0.00 H new ATOM 723 N LYS A 402 -20.016 -6.118 -1.706 1.00 0.00 N ATOM 724 CA LYS A 402 -18.754 -5.682 -1.108 1.00 0.00 C ATOM 725 C LYS A 402 -17.960 -4.842 -2.104 1.00 0.00 C ATOM 726 O LYS A 402 -17.871 -5.194 -3.281 1.00 0.00 O ATOM 727 CB LYS A 402 -17.929 -6.893 -0.665 1.00 0.00 C ATOM 728 CG LYS A 402 -18.669 -7.829 0.279 1.00 0.00 C ATOM 729 CD LYS A 402 -19.011 -7.146 1.593 1.00 0.00 C ATOM 730 CE LYS A 402 -19.737 -8.089 2.538 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.918 -9.291 2.860 1.00 0.00 N ATOM 0 H LYS A 402 -20.845 -5.721 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.977 -5.072 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.620 -7.453 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.020 -6.542 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.584 -8.179 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.055 -8.708 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.097 -6.787 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.634 -6.273 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.984 -7.561 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.679 -8.401 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.333 -9.785 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.902 -9.930 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.947 -8.998 3.090 1.00 0.00 H new ATOM 745 N LYS A 403 -17.382 -3.729 -1.650 1.00 0.00 N ATOM 746 CA LYS A 403 -16.613 -2.883 -2.563 1.00 0.00 C ATOM 747 C LYS A 403 -15.567 -2.024 -1.850 1.00 0.00 C ATOM 748 O LYS A 403 -15.799 -1.505 -0.759 1.00 0.00 O ATOM 749 CB LYS A 403 -17.550 -2.007 -3.409 1.00 0.00 C ATOM 750 CG LYS A 403 -18.499 -1.123 -2.610 1.00 0.00 C ATOM 751 CD LYS A 403 -17.826 0.147 -2.114 1.00 0.00 C ATOM 752 CE LYS A 403 -18.828 1.089 -1.465 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.519 0.457 -0.308 1.00 0.00 N ATOM 0 H LYS A 403 -17.428 -3.399 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.063 -3.557 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -16.944 -1.373 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.140 -2.654 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.355 -0.859 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -18.884 -1.684 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.047 -0.109 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -17.338 0.651 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.315 1.991 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.567 1.397 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.537 0.387 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.131 -0.495 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.372 1.036 0.543 1.00 0.00 H new ATOM 767 N CYS A 404 -14.407 -1.883 -2.499 1.00 0.00 N ATOM 768 CA CYS A 404 -13.298 -1.089 -1.972 1.00 0.00 C ATOM 769 C CYS A 404 -13.329 0.320 -2.571 1.00 0.00 C ATOM 770 O CYS A 404 -13.557 0.481 -3.769 1.00 0.00 O ATOM 771 CB CYS A 404 -11.962 -1.765 -2.307 1.00 0.00 C ATOM 772 SG CYS A 404 -10.506 -0.986 -1.534 1.00 0.00 S ATOM 0 H CYS A 404 -14.213 -2.316 -3.402 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.401 -1.018 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.009 -2.808 -1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.829 -1.762 -3.389 1.00 0.00 H new ATOM 777 N THR A 405 -13.103 1.338 -1.739 1.00 0.00 N ATOM 778 CA THR A 405 -13.118 2.723 -2.214 1.00 0.00 C ATOM 779 C THR A 405 -12.087 3.585 -1.490 1.00 0.00 C ATOM 780 O THR A 405 -11.826 3.399 -0.301 1.00 0.00 O ATOM 781 CB THR A 405 -14.502 3.374 -2.040 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.841 3.440 -0.651 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.570 2.593 -2.789 1.00 0.00 C ATOM 0 H THR A 405 -12.909 1.232 -0.743 1.00 0.00 H new ATOM 0 HA THR A 405 -12.870 2.674 -3.274 1.00 0.00 H new ATOM 0 HB THR A 405 -14.456 4.382 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.787 4.369 -0.345 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.538 3.074 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.326 2.570 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.613 1.574 -2.404 1.00 0.00 H new ATOM 791 N LEU A 406 -11.510 4.534 -2.223 1.00 0.00 N ATOM 792 CA LEU A 406 -10.509 5.442 -1.675 1.00 0.00 C ATOM 793 C LEU A 406 -11.138 6.395 -0.673 1.00 0.00 C ATOM 794 O LEU A 406 -12.266 6.856 -0.855 1.00 0.00 O ATOM 795 CB LEU A 406 -9.840 6.225 -2.808 1.00 0.00 C ATOM 796 CG LEU A 406 -8.560 6.984 -2.440 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.874 8.280 -1.713 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.638 6.112 -1.603 1.00 0.00 C ATOM 0 H LEU A 406 -11.722 4.694 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.753 4.854 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.607 5.530 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.561 6.940 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.048 7.237 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.945 8.793 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.482 8.918 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.421 8.060 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.736 6.671 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.148 5.818 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.367 5.221 -2.169 1.00 0.00 H new ATOM 810 N ASP A 407 -10.398 6.691 0.384 1.00 0.00 N ATOM 811 CA ASP A 407 -10.877 7.598 1.421 1.00 0.00 C ATOM 812 C ASP A 407 -9.864 8.710 1.666 1.00 0.00 C ATOM 813 O ASP A 407 -8.687 8.447 1.908 1.00 0.00 O ATOM 814 CB ASP A 407 -11.145 6.831 2.717 1.00 0.00 C ATOM 815 CG ASP A 407 -11.757 7.708 3.792 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.827 8.300 3.538 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.171 7.797 4.891 1.00 0.00 O ATOM 0 H ASP A 407 -9.463 6.318 0.548 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.810 8.047 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.813 5.995 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.210 6.408 3.086 1.00 0.00 H new ATOM 822 N LYS A 408 -10.330 9.952 1.595 1.00 0.00 N ATOM 823 CA LYS A 408 -9.465 11.108 1.802 1.00 0.00 C ATOM 824 C LYS A 408 -8.957 11.165 3.238 1.00 0.00 C ATOM 825 O LYS A 408 -7.798 11.494 3.480 1.00 0.00 O ATOM 826 CB LYS A 408 -10.208 12.401 1.459 1.00 0.00 C ATOM 827 CG LYS A 408 -11.466 12.622 2.282 1.00 0.00 C ATOM 828 CD LYS A 408 -12.135 13.942 1.932 1.00 0.00 C ATOM 829 CE LYS A 408 -13.423 14.137 2.711 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.416 13.065 2.421 1.00 0.00 N ATOM 0 H LYS A 408 -11.303 10.184 1.395 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.606 11.005 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.535 13.246 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.474 12.387 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.164 11.802 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.215 12.610 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.452 14.765 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.347 13.971 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.203 14.149 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.854 15.107 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.354 13.359 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.456 12.897 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.132 12.189 2.904 1.00 0.00 H new ATOM 844 N GLU A 409 -9.836 10.853 4.184 1.00 0.00 N ATOM 845 CA GLU A 409 -9.483 10.876 5.598 1.00 0.00 C ATOM 846 C GLU A 409 -8.367 9.880 5.915 1.00 0.00 C ATOM 847 O GLU A 409 -7.397 10.216 6.596 1.00 0.00 O ATOM 848 CB GLU A 409 -10.716 10.565 6.450 1.00 0.00 C ATOM 849 CG GLU A 409 -10.440 10.579 7.942 1.00 0.00 C ATOM 850 CD GLU A 409 -11.666 10.244 8.768 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.669 10.981 8.668 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.623 9.244 9.514 1.00 0.00 O ATOM 0 H GLU A 409 -10.801 10.580 3.996 1.00 0.00 H new ATOM 0 HA GLU A 409 -9.118 11.875 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.496 11.293 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -11.104 9.586 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.649 9.864 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.071 11.564 8.230 1.00 0.00 H new ATOM 859 N GLU A 410 -8.511 8.654 5.430 1.00 0.00 N ATOM 860 CA GLU A 410 -7.514 7.616 5.676 1.00 0.00 C ATOM 861 C GLU A 410 -6.217 7.920 4.930 1.00 0.00 C ATOM 862 O GLU A 410 -5.129 7.810 5.493 1.00 0.00 O ATOM 863 CB GLU A 410 -8.061 6.249 5.249 1.00 0.00 C ATOM 864 CG GLU A 410 -7.270 5.064 5.790 1.00 0.00 C ATOM 865 CD GLU A 410 -5.825 5.049 5.330 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.594 5.061 4.104 1.00 0.00 O ATOM 867 OE2 GLU A 410 -4.927 5.025 6.196 1.00 0.00 O ATOM 0 H GLU A 410 -9.305 8.353 4.865 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.297 7.595 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.095 6.164 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.071 6.198 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.297 5.084 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.754 4.139 5.476 1.00 0.00 H new ATOM 874 N ALA A 411 -6.339 8.290 3.659 1.00 0.00 N ATOM 875 CA ALA A 411 -5.174 8.593 2.830 1.00 0.00 C ATOM 876 C ALA A 411 -4.378 9.783 3.363 1.00 0.00 C ATOM 877 O ALA A 411 -3.149 9.757 3.369 1.00 0.00 O ATOM 878 CB ALA A 411 -5.605 8.849 1.394 1.00 0.00 C ATOM 0 H ALA A 411 -7.234 8.388 3.179 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.517 7.724 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.729 9.074 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.103 7.963 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.293 9.694 1.366 1.00 0.00 H new ATOM 884 N LYS A 412 -5.072 10.830 3.798 1.00 0.00 N ATOM 885 CA LYS A 412 -4.396 12.014 4.316 1.00 0.00 C ATOM 886 C LYS A 412 -3.577 11.665 5.555 1.00 0.00 C ATOM 887 O LYS A 412 -2.425 12.075 5.684 1.00 0.00 O ATOM 888 CB LYS A 412 -5.402 13.123 4.643 1.00 0.00 C ATOM 889 CG LYS A 412 -6.378 12.765 5.752 1.00 0.00 C ATOM 890 CD LYS A 412 -7.335 13.909 6.052 1.00 0.00 C ATOM 891 CE LYS A 412 -6.602 15.123 6.601 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.534 16.240 6.915 1.00 0.00 N ATOM 0 H LYS A 412 -6.091 10.883 3.803 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.722 12.380 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.856 14.022 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.965 13.366 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.947 11.881 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.824 12.508 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.868 14.186 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -8.083 13.579 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.057 14.841 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.863 15.460 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.995 17.048 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.036 16.527 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.224 15.927 7.628 1.00 0.00 H new