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 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= -3.34 F(o=-8.4!,f=-3.3) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -117:sc= -0.617 (180deg=-3.76!) USER MOD Single : A 386 GLN : amide:sc= -2.22! C(o=-2.2!,f=-5.9!) USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 390 LYS NZ :NH3+ 167:sc= -0.528 (180deg=-1.05) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0.0106 (180deg=0.0106) USER MOD Single : A 396 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.29) USER MOD Single : A 397 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.697 F(o=-4.4!,f=-0.7) USER MOD Single : A 402 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.662) USER MOD Single : A 403 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.253) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 166:sc= -0.0434 (180deg=-0.28) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.467 5.993 -3.288 1.00 0.00 N ATOM 340 CA GLU A 376 -4.086 5.846 -4.598 1.00 0.00 C ATOM 341 C GLU A 376 -5.201 6.870 -4.793 1.00 0.00 C ATOM 342 O GLU A 376 -5.120 7.991 -4.292 1.00 0.00 O ATOM 343 CB GLU A 376 -4.619 4.420 -4.747 1.00 0.00 C ATOM 344 CG GLU A 376 -3.554 3.359 -4.533 1.00 0.00 C ATOM 345 CD GLU A 376 -2.443 3.431 -5.563 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.740 3.290 -6.768 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.276 3.630 -5.165 1.00 0.00 O ATOM 0 HA GLU A 376 -3.338 6.030 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.427 4.264 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.047 4.301 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.128 3.473 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.016 2.373 -4.571 1.00 0.00 H new ATOM 354 N THR A 377 -6.235 6.484 -5.530 1.00 0.00 N ATOM 355 CA THR A 377 -7.356 7.372 -5.800 1.00 0.00 C ATOM 356 C THR A 377 -8.668 6.605 -5.814 1.00 0.00 C ATOM 357 O THR A 377 -8.681 5.388 -5.999 1.00 0.00 O ATOM 358 CB THR A 377 -7.176 8.104 -7.140 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.190 7.163 -8.221 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.867 8.876 -7.153 1.00 0.00 C ATOM 0 H THR A 377 -6.319 5.559 -5.952 1.00 0.00 H new ATOM 0 HA THR A 377 -7.384 8.109 -4.998 1.00 0.00 H new ATOM 0 HB THR A 377 -8.001 8.806 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.076 7.639 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.756 9.388 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.869 9.609 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.036 8.185 -7.013 1.00 0.00 H new ATOM 368 N GLU A 378 -9.768 7.323 -5.601 1.00 0.00 N ATOM 369 CA GLU A 378 -11.092 6.712 -5.575 1.00 0.00 C ATOM 370 C GLU A 378 -11.269 5.743 -6.733 1.00 0.00 C ATOM 371 O GLU A 378 -11.828 4.661 -6.571 1.00 0.00 O ATOM 372 CB GLU A 378 -12.173 7.790 -5.632 1.00 0.00 C ATOM 373 CG GLU A 378 -13.584 7.239 -5.508 1.00 0.00 C ATOM 374 CD GLU A 378 -14.645 8.319 -5.606 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.278 9.499 -5.781 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.844 7.982 -5.506 1.00 0.00 O ATOM 0 H GLU A 378 -9.767 8.331 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.188 6.156 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.000 8.509 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.085 8.333 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.751 6.499 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.685 6.722 -4.554 1.00 0.00 H new ATOM 383 N GLY A 379 -10.792 6.144 -7.901 1.00 0.00 N ATOM 384 CA GLY A 379 -10.910 5.307 -9.076 1.00 0.00 C ATOM 385 C GLY A 379 -10.136 4.012 -8.964 1.00 0.00 C ATOM 386 O GLY A 379 -10.618 2.961 -9.384 1.00 0.00 O ATOM 0 H GLY A 379 -10.324 7.037 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.962 5.080 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.556 5.861 -9.946 1.00 0.00 H new ATOM 390 N SER A 380 -8.935 4.082 -8.407 1.00 0.00 N ATOM 391 CA SER A 380 -8.102 2.895 -8.258 1.00 0.00 C ATOM 392 C SER A 380 -8.687 1.923 -7.238 1.00 0.00 C ATOM 393 O SER A 380 -8.821 0.730 -7.507 1.00 0.00 O ATOM 394 CB SER A 380 -6.691 3.291 -7.843 1.00 0.00 C ATOM 395 OG SER A 380 -5.870 2.148 -7.675 1.00 0.00 O ATOM 0 H SER A 380 -8.517 4.942 -8.053 1.00 0.00 H new ATOM 0 HA SER A 380 -8.069 2.392 -9.224 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.257 3.947 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.727 3.857 -6.912 1.00 0.00 H new ATOM 0 HG SER A 380 -4.969 2.428 -7.410 1.00 0.00 H new ATOM 401 N CYS A 381 -9.020 2.442 -6.062 1.00 0.00 N ATOM 402 CA CYS A 381 -9.570 1.626 -4.983 1.00 0.00 C ATOM 403 C CYS A 381 -10.816 0.853 -5.410 1.00 0.00 C ATOM 404 O CYS A 381 -10.937 -0.340 -5.128 1.00 0.00 O ATOM 405 CB CYS A 381 -9.896 2.507 -3.780 1.00 0.00 C ATOM 406 SG CYS A 381 -8.430 3.181 -2.945 1.00 0.00 S ATOM 0 H CYS A 381 -8.918 3.430 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.810 0.892 -4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.528 3.333 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.476 1.926 -3.063 1.00 0.00 H new ATOM 411 N ASN A 382 -11.743 1.533 -6.075 1.00 0.00 N ATOM 412 CA ASN A 382 -12.982 0.899 -6.519 1.00 0.00 C ATOM 413 C ASN A 382 -12.702 -0.360 -7.331 1.00 0.00 C ATOM 414 O ASN A 382 -13.544 -1.254 -7.417 1.00 0.00 O ATOM 415 CB ASN A 382 -13.816 1.874 -7.354 1.00 0.00 C ATOM 416 CG ASN A 382 -14.184 3.141 -6.602 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.775 3.232 -5.343 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.833 4.030 -7.151 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.662 2.520 -6.319 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.543 0.617 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.260 2.141 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.728 1.375 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.128 3.921 -8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.076 4.876 -6.636 1.00 0.00 H new ATOM 425 N LYS A 383 -11.524 -0.418 -7.940 1.00 0.00 N ATOM 426 CA LYS A 383 -11.140 -1.558 -8.760 1.00 0.00 C ATOM 427 C LYS A 383 -10.504 -2.662 -7.920 1.00 0.00 C ATOM 428 O LYS A 383 -10.671 -3.848 -8.207 1.00 0.00 O ATOM 429 CB LYS A 383 -10.169 -1.106 -9.849 1.00 0.00 C ATOM 430 CG LYS A 383 -10.603 0.169 -10.559 1.00 0.00 C ATOM 431 CD LYS A 383 -11.978 0.030 -11.196 1.00 0.00 C ATOM 432 CE LYS A 383 -11.986 -1.024 -12.294 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.328 -1.158 -12.925 1.00 0.00 N ATOM 0 H LYS A 383 -10.817 0.314 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.042 -1.964 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.186 -0.949 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.063 -1.904 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.616 0.994 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.872 0.423 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.708 -0.236 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.286 0.990 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.252 -0.761 -13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.683 -1.985 -11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.291 -1.885 -13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.025 -1.434 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.606 -0.248 -13.345 1.00 0.00 H new ATOM 447 N LYS A 384 -9.760 -2.263 -6.894 1.00 0.00 N ATOM 448 CA LYS A 384 -9.078 -3.211 -6.023 1.00 0.00 C ATOM 449 C LYS A 384 -10.057 -4.079 -5.239 1.00 0.00 C ATOM 450 O LYS A 384 -10.976 -3.572 -4.595 1.00 0.00 O ATOM 451 CB LYS A 384 -8.166 -2.451 -5.062 1.00 0.00 C ATOM 452 CG LYS A 384 -6.831 -2.021 -5.664 1.00 0.00 C ATOM 453 CD LYS A 384 -6.974 -1.415 -7.053 1.00 0.00 C ATOM 454 CE LYS A 384 -6.768 -2.453 -8.145 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.906 -1.862 -9.505 1.00 0.00 N ATOM 0 H LYS A 384 -9.614 -1.285 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.487 -3.878 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.692 -1.565 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.973 -3.078 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.358 -1.295 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.167 -2.884 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.964 -0.971 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.249 -0.610 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.778 -2.898 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.494 -3.257 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.712 -2.301 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.067 -0.838 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.036 -2.034 -10.048 1.00 0.00 H new ATOM 469 N ASP A 385 -9.838 -5.391 -5.287 1.00 0.00 N ATOM 470 CA ASP A 385 -10.684 -6.339 -4.570 1.00 0.00 C ATOM 471 C ASP A 385 -10.365 -6.309 -3.080 1.00 0.00 C ATOM 472 O ASP A 385 -9.519 -5.533 -2.639 1.00 0.00 O ATOM 473 CB ASP A 385 -10.485 -7.755 -5.119 1.00 0.00 C ATOM 474 CG ASP A 385 -10.820 -7.857 -6.594 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.171 -7.159 -7.400 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.729 -8.639 -6.944 1.00 0.00 O ATOM 0 H ASP A 385 -9.080 -5.822 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.725 -6.050 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.450 -8.060 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.110 -8.450 -4.559 1.00 0.00 H new ATOM 481 N GLN A 386 -11.040 -7.160 -2.312 1.00 0.00 N ATOM 482 CA GLN A 386 -10.825 -7.230 -0.869 1.00 0.00 C ATOM 483 C GLN A 386 -9.336 -7.314 -0.551 1.00 0.00 C ATOM 484 O GLN A 386 -8.824 -6.566 0.282 1.00 0.00 O ATOM 485 CB GLN A 386 -11.567 -8.440 -0.287 1.00 0.00 C ATOM 486 CG GLN A 386 -11.495 -8.557 1.232 1.00 0.00 C ATOM 487 CD GLN A 386 -10.283 -9.334 1.720 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.141 -8.906 1.559 1.00 0.00 O ATOM 489 NE2 GLN A 386 -10.530 -10.493 2.322 1.00 0.00 N ATOM 0 H GLN A 386 -11.741 -7.811 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.219 -6.322 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.614 -8.386 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.157 -9.348 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.475 -7.557 1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.400 -9.044 1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.492 -10.814 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -9.758 -11.062 2.670 1.00 0.00 H new ATOM 498 N ASN A 387 -8.648 -8.226 -1.226 1.00 0.00 N ATOM 499 CA ASN A 387 -7.225 -8.418 -1.033 1.00 0.00 C ATOM 500 C ASN A 387 -6.428 -7.193 -1.467 1.00 0.00 C ATOM 501 O ASN A 387 -5.435 -6.833 -0.835 1.00 0.00 O ATOM 502 CB ASN A 387 -6.772 -9.632 -1.836 1.00 0.00 C ATOM 503 CG ASN A 387 -7.207 -10.941 -1.215 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.395 -11.179 -0.997 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.238 -11.804 -0.933 1.00 0.00 N ATOM 0 H ASN A 387 -9.063 -8.849 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.042 -8.575 0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.174 -9.564 -2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.686 -9.620 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.465 -12.708 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.267 -11.563 -1.131 1.00 0.00 H new ATOM 512 N GLU A 388 -6.854 -6.574 -2.562 1.00 0.00 N ATOM 513 CA GLU A 388 -6.163 -5.408 -3.096 1.00 0.00 C ATOM 514 C GLU A 388 -6.651 -4.117 -2.451 1.00 0.00 C ATOM 515 O GLU A 388 -6.160 -3.035 -2.774 1.00 0.00 O ATOM 516 CB GLU A 388 -6.344 -5.346 -4.612 1.00 0.00 C ATOM 517 CG GLU A 388 -5.962 -6.640 -5.315 1.00 0.00 C ATOM 518 CD GLU A 388 -6.006 -6.522 -6.825 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.273 -5.673 -7.376 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.773 -7.278 -7.458 1.00 0.00 O ATOM 0 H GLU A 388 -7.674 -6.860 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.103 -5.510 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.384 -5.111 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.739 -4.531 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.958 -6.933 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.638 -7.434 -4.997 1.00 0.00 H new ATOM 527 N CYS A 389 -7.607 -4.228 -1.534 1.00 0.00 N ATOM 528 CA CYS A 389 -8.131 -3.052 -0.855 1.00 0.00 C ATOM 529 C CYS A 389 -7.017 -2.400 -0.045 1.00 0.00 C ATOM 530 O CYS A 389 -6.687 -2.845 1.055 1.00 0.00 O ATOM 531 CB CYS A 389 -9.308 -3.428 0.047 1.00 0.00 C ATOM 532 SG CYS A 389 -10.410 -2.031 0.429 1.00 0.00 S ATOM 0 H CYS A 389 -8.030 -5.111 -1.247 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.496 -2.342 -1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.887 -4.215 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.923 -3.841 0.979 1.00 0.00 H new ATOM 537 N LYS A 390 -6.418 -1.364 -0.620 1.00 0.00 N ATOM 538 CA LYS A 390 -5.309 -0.660 0.010 1.00 0.00 C ATOM 539 C LYS A 390 -5.754 0.156 1.221 1.00 0.00 C ATOM 540 O LYS A 390 -6.934 0.463 1.383 1.00 0.00 O ATOM 541 CB LYS A 390 -4.615 0.222 -1.020 1.00 0.00 C ATOM 542 CG LYS A 390 -4.058 -0.572 -2.193 1.00 0.00 C ATOM 543 CD LYS A 390 -3.377 0.325 -3.212 1.00 0.00 C ATOM 544 CE LYS A 390 -2.830 -0.479 -4.380 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.172 0.390 -5.393 1.00 0.00 N ATOM 0 H LYS A 390 -6.686 -0.990 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.604 -1.404 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.321 0.964 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.804 0.767 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.345 -1.310 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.866 -1.122 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.087 1.066 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.565 0.872 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.114 -1.213 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.642 -1.034 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.626 -0.199 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.896 0.919 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.534 1.058 -4.915 1.00 0.00 H new ATOM 559 N SER A 391 -4.788 0.481 2.079 1.00 0.00 N ATOM 560 CA SER A 391 -5.047 1.235 3.295 1.00 0.00 C ATOM 561 C SER A 391 -5.778 2.551 3.013 1.00 0.00 C ATOM 562 O SER A 391 -6.828 2.809 3.601 1.00 0.00 O ATOM 563 CB SER A 391 -3.733 1.501 4.028 1.00 0.00 C ATOM 564 OG SER A 391 -3.085 0.288 4.370 1.00 0.00 O ATOM 0 H SER A 391 -3.809 0.228 1.948 1.00 0.00 H new ATOM 0 HA SER A 391 -5.702 0.634 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.077 2.102 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.927 2.080 4.931 1.00 0.00 H new ATOM 0 HG SER A 391 -2.246 0.486 4.836 1.00 0.00 H new ATOM 570 N PRO A 392 -5.249 3.408 2.111 1.00 0.00 N ATOM 571 CA PRO A 392 -5.888 4.680 1.783 1.00 0.00 C ATOM 572 C PRO A 392 -7.352 4.490 1.406 1.00 0.00 C ATOM 573 O PRO A 392 -8.183 5.373 1.624 1.00 0.00 O ATOM 574 CB PRO A 392 -5.085 5.201 0.582 1.00 0.00 C ATOM 575 CG PRO A 392 -4.215 4.079 0.143 1.00 0.00 C ATOM 576 CD PRO A 392 -4.009 3.221 1.345 1.00 0.00 C ATOM 0 HA PRO A 392 -5.887 5.369 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.749 5.516 -0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.488 6.070 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.684 3.515 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.264 4.450 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.858 2.176 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.133 3.531 1.915 1.00 0.00 H new ATOM 584 N CYS A 393 -7.655 3.328 0.834 1.00 0.00 N ATOM 585 CA CYS A 393 -9.012 3.004 0.416 1.00 0.00 C ATOM 586 C CYS A 393 -9.944 2.877 1.619 1.00 0.00 C ATOM 587 O CYS A 393 -9.640 3.353 2.712 1.00 0.00 O ATOM 588 CB CYS A 393 -9.007 1.691 -0.371 1.00 0.00 C ATOM 589 SG CYS A 393 -7.825 1.655 -1.757 1.00 0.00 S ATOM 0 H CYS A 393 -6.973 2.592 0.649 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.378 3.813 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.775 0.873 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.009 1.509 -0.758 1.00 0.00 H new ATOM 594 N LYS A 394 -11.074 2.212 1.407 1.00 0.00 N ATOM 595 CA LYS A 394 -12.054 1.992 2.463 1.00 0.00 C ATOM 596 C LYS A 394 -12.929 0.794 2.123 1.00 0.00 C ATOM 597 O LYS A 394 -13.700 0.819 1.158 1.00 0.00 O ATOM 598 CB LYS A 394 -12.918 3.237 2.676 1.00 0.00 C ATOM 599 CG LYS A 394 -13.932 3.089 3.799 1.00 0.00 C ATOM 600 CD LYS A 394 -14.755 4.354 3.991 1.00 0.00 C ATOM 601 CE LYS A 394 -13.890 5.528 4.423 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.691 6.769 4.615 1.00 0.00 N ATOM 0 H LYS A 394 -11.335 1.813 0.505 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.518 1.789 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.270 4.086 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.445 3.466 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.597 2.253 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.413 2.849 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.265 4.601 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.527 4.176 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.379 5.279 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.119 5.706 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.064 7.545 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.159 7.022 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.410 6.608 5.349 1.00 0.00 H new ATOM 616 N TRP A 395 -12.780 -0.258 2.923 1.00 0.00 N ATOM 617 CA TRP A 395 -13.523 -1.495 2.731 1.00 0.00 C ATOM 618 C TRP A 395 -14.961 -1.374 3.224 1.00 0.00 C ATOM 619 O TRP A 395 -15.252 -0.617 4.151 1.00 0.00 O ATOM 620 CB TRP A 395 -12.818 -2.643 3.460 1.00 0.00 C ATOM 621 CG TRP A 395 -13.445 -3.983 3.219 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.921 -4.846 4.164 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.653 -4.621 1.953 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.419 -5.977 3.565 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.264 -5.863 2.207 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.385 -4.262 0.628 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.610 -6.746 1.188 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.728 -5.139 -0.382 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.336 -6.369 -0.097 1.00 0.00 C ATOM 0 H TRP A 395 -12.143 -0.275 3.719 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.555 -1.701 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.775 -2.677 3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.820 -2.438 4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.908 -4.665 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.836 -6.771 4.050 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.918 -3.316 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.078 -7.695 1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.524 -4.873 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.593 -7.033 -0.909 1.00 0.00 H new ATOM 640 N HIS A 396 -15.852 -2.138 2.601 1.00 0.00 N ATOM 641 CA HIS A 396 -17.262 -2.143 2.972 1.00 0.00 C ATOM 642 C HIS A 396 -17.845 -3.542 2.811 1.00 0.00 C ATOM 643 O HIS A 396 -17.862 -4.098 1.710 1.00 0.00 O ATOM 644 CB HIS A 396 -18.051 -1.149 2.118 1.00 0.00 C ATOM 645 CG HIS A 396 -17.665 0.281 2.343 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.799 0.913 3.561 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.148 1.203 1.496 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.382 2.162 3.455 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.980 2.364 2.212 1.00 0.00 N ATOM 0 H HIS A 396 -15.620 -2.766 1.831 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.340 -1.842 4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.906 -1.393 1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.114 -1.266 2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.912 1.054 0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.371 2.894 4.249 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.606 3.239 1.844 1.00 0.00 H new ATOM 658 N ASN A 397 -18.316 -4.104 3.920 1.00 0.00 N ATOM 659 CA ASN A 397 -18.896 -5.443 3.926 1.00 0.00 C ATOM 660 C ASN A 397 -20.214 -5.480 3.161 1.00 0.00 C ATOM 661 O ASN A 397 -20.956 -4.497 3.132 1.00 0.00 O ATOM 662 CB ASN A 397 -19.113 -5.915 5.365 1.00 0.00 C ATOM 663 CG ASN A 397 -19.765 -7.283 5.435 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.213 -8.271 4.950 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.947 -7.344 6.037 1.00 0.00 N ATOM 0 H ASN A 397 -18.307 -3.649 4.833 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.197 -6.114 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.154 -5.946 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.736 -5.192 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -21.436 -8.236 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -21.366 -6.499 6.424 1.00 0.00 H new ATOM 672 N ASP A 398 -20.496 -6.628 2.546 1.00 0.00 N ATOM 673 CA ASP A 398 -21.724 -6.816 1.780 1.00 0.00 C ATOM 674 C ASP A 398 -21.771 -5.883 0.570 1.00 0.00 C ATOM 675 O ASP A 398 -21.182 -6.181 -0.469 1.00 0.00 O ATOM 676 CB ASP A 398 -22.950 -6.597 2.675 1.00 0.00 C ATOM 677 CG ASP A 398 -24.253 -6.837 1.940 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.465 -7.969 1.458 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.065 -5.892 1.848 1.00 0.00 O ATOM 0 H ASP A 398 -19.886 -7.445 2.565 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.737 -7.842 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.893 -7.265 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.937 -5.578 3.062 1.00 0.00 H new ATOM 684 N ALA A 399 -22.482 -4.764 0.705 1.00 0.00 N ATOM 685 CA ALA A 399 -22.614 -3.800 -0.384 1.00 0.00 C ATOM 686 C ALA A 399 -23.268 -4.448 -1.601 1.00 0.00 C ATOM 687 O ALA A 399 -23.779 -5.564 -1.519 1.00 0.00 O ATOM 688 CB ALA A 399 -21.251 -3.225 -0.754 1.00 0.00 C ATOM 0 H ALA A 399 -22.975 -4.504 1.559 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.254 -2.985 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.367 -2.508 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.820 -2.724 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.590 -4.031 -1.073 1.00 0.00 H new ATOM 694 N GLU A 400 -23.240 -3.747 -2.730 1.00 0.00 N ATOM 695 CA GLU A 400 -23.823 -4.269 -3.961 1.00 0.00 C ATOM 696 C GLU A 400 -23.018 -5.465 -4.455 1.00 0.00 C ATOM 697 O GLU A 400 -23.556 -6.388 -5.066 1.00 0.00 O ATOM 698 CB GLU A 400 -23.865 -3.180 -5.037 1.00 0.00 C ATOM 699 CG GLU A 400 -24.663 -1.949 -4.632 1.00 0.00 C ATOM 700 CD GLU A 400 -26.131 -2.250 -4.394 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.438 -3.026 -3.465 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.975 -1.709 -5.139 1.00 0.00 O ATOM 0 H GLU A 400 -22.822 -2.821 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.844 -4.591 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -22.845 -2.878 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.295 -3.598 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.232 -1.525 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.574 -1.192 -5.411 1.00 0.00 H new ATOM 709 N ASN A 401 -21.719 -5.428 -4.177 1.00 0.00 N ATOM 710 CA ASN A 401 -20.800 -6.486 -4.572 1.00 0.00 C ATOM 711 C ASN A 401 -19.416 -6.199 -4.003 1.00 0.00 C ATOM 712 O ASN A 401 -18.417 -6.214 -4.724 1.00 0.00 O ATOM 713 CB ASN A 401 -20.737 -6.606 -6.100 1.00 0.00 C ATOM 714 CG ASN A 401 -20.312 -5.319 -6.791 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.084 -4.260 -6.019 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.191 -5.276 -8.015 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.275 -4.662 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.161 -7.434 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.039 -7.400 -6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.716 -6.904 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.374 -6.108 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.907 -4.408 -8.469 1.00 0.00 H new ATOM 723 N LYS A 402 -19.382 -5.908 -2.702 1.00 0.00 N ATOM 724 CA LYS A 402 -18.144 -5.579 -2.001 1.00 0.00 C ATOM 725 C LYS A 402 -17.642 -4.213 -2.447 1.00 0.00 C ATOM 726 O LYS A 402 -17.527 -3.947 -3.644 1.00 0.00 O ATOM 727 CB LYS A 402 -17.073 -6.647 -2.248 1.00 0.00 C ATOM 728 CG LYS A 402 -17.446 -8.020 -1.712 1.00 0.00 C ATOM 729 CD LYS A 402 -17.618 -8.003 -0.200 1.00 0.00 C ATOM 730 CE LYS A 402 -17.965 -9.382 0.339 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.122 -9.375 1.820 1.00 0.00 N ATOM 0 H LYS A 402 -20.211 -5.894 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.351 -5.551 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.888 -6.723 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.139 -6.327 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.371 -8.355 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.673 -8.739 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.699 -7.650 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.404 -7.298 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.889 -9.730 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.183 -10.088 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.822 -10.293 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.535 -8.620 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.119 -9.207 2.063 1.00 0.00 H new ATOM 745 N LYS A 403 -17.364 -3.335 -1.485 1.00 0.00 N ATOM 746 CA LYS A 403 -16.901 -1.992 -1.809 1.00 0.00 C ATOM 747 C LYS A 403 -15.550 -1.669 -1.177 1.00 0.00 C ATOM 748 O LYS A 403 -15.285 -2.012 -0.026 1.00 0.00 O ATOM 749 CB LYS A 403 -17.937 -0.952 -1.376 1.00 0.00 C ATOM 750 CG LYS A 403 -19.215 -0.985 -2.198 1.00 0.00 C ATOM 751 CD LYS A 403 -18.949 -0.650 -3.658 1.00 0.00 C ATOM 752 CE LYS A 403 -20.227 -0.682 -4.480 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.239 0.285 -3.972 1.00 0.00 N ATOM 0 H LYS A 403 -17.451 -3.528 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.772 -1.956 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.186 -1.114 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.494 0.041 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.669 -1.974 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.932 -0.275 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.495 0.338 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.232 -1.360 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.995 -0.452 -5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.645 -1.688 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.998 0.395 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.641 -0.069 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.786 1.206 -3.805 1.00 0.00 H new ATOM 767 N CYS A 404 -14.714 -0.979 -1.947 1.00 0.00 N ATOM 768 CA CYS A 404 -13.388 -0.561 -1.497 1.00 0.00 C ATOM 769 C CYS A 404 -13.068 0.805 -2.093 1.00 0.00 C ATOM 770 O CYS A 404 -12.199 0.929 -2.952 1.00 0.00 O ATOM 771 CB CYS A 404 -12.311 -1.568 -1.913 1.00 0.00 C ATOM 772 SG CYS A 404 -10.633 -1.106 -1.368 1.00 0.00 S ATOM 0 H CYS A 404 -14.936 -0.693 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.394 -0.508 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.561 -2.546 -1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.317 -1.667 -2.998 1.00 0.00 H new ATOM 777 N THR A 405 -13.801 1.820 -1.651 1.00 0.00 N ATOM 778 CA THR A 405 -13.620 3.177 -2.161 1.00 0.00 C ATOM 779 C THR A 405 -12.526 3.934 -1.415 1.00 0.00 C ATOM 780 O THR A 405 -12.356 3.776 -0.208 1.00 0.00 O ATOM 781 CB THR A 405 -14.932 3.979 -2.090 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.424 4.000 -0.744 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.984 3.377 -3.014 1.00 0.00 C ATOM 0 H THR A 405 -14.527 1.731 -0.940 1.00 0.00 H new ATOM 0 HA THR A 405 -13.315 3.073 -3.202 1.00 0.00 H new ATOM 0 HB THR A 405 -14.727 4.999 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.258 4.514 -0.708 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.903 3.960 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.618 3.392 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.185 2.348 -2.715 1.00 0.00 H new ATOM 791 N LEU A 406 -11.791 4.765 -2.152 1.00 0.00 N ATOM 792 CA LEU A 406 -10.716 5.562 -1.577 1.00 0.00 C ATOM 793 C LEU A 406 -11.279 6.591 -0.609 1.00 0.00 C ATOM 794 O LEU A 406 -12.354 7.150 -0.831 1.00 0.00 O ATOM 795 CB LEU A 406 -9.919 6.248 -2.688 1.00 0.00 C ATOM 796 CG LEU A 406 -8.592 6.902 -2.277 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.823 8.205 -1.530 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.756 5.947 -1.444 1.00 0.00 C ATOM 0 H LEU A 406 -11.924 4.902 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.046 4.903 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.710 5.510 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.551 7.013 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.042 7.135 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.863 8.641 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.367 8.900 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.405 8.010 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.821 6.432 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.306 5.672 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.540 5.050 -2.025 1.00 0.00 H new ATOM 810 N ASP A 407 -10.541 6.836 0.460 1.00 0.00 N ATOM 811 CA ASP A 407 -10.949 7.802 1.473 1.00 0.00 C ATOM 812 C ASP A 407 -9.897 8.896 1.615 1.00 0.00 C ATOM 813 O ASP A 407 -8.706 8.608 1.716 1.00 0.00 O ATOM 814 CB ASP A 407 -11.166 7.096 2.817 1.00 0.00 C ATOM 815 CG ASP A 407 -11.614 8.046 3.915 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.860 9.233 3.616 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.728 7.596 5.075 1.00 0.00 O ATOM 0 H ASP A 407 -9.650 6.378 0.652 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.887 8.261 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.913 6.312 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.239 6.609 3.120 1.00 0.00 H new ATOM 822 N LYS A 408 -10.340 10.150 1.620 1.00 0.00 N ATOM 823 CA LYS A 408 -9.423 11.277 1.749 1.00 0.00 C ATOM 824 C LYS A 408 -8.709 11.244 3.096 1.00 0.00 C ATOM 825 O LYS A 408 -7.493 11.408 3.164 1.00 0.00 O ATOM 826 CB LYS A 408 -10.163 12.610 1.589 1.00 0.00 C ATOM 827 CG LYS A 408 -10.648 12.889 0.172 1.00 0.00 C ATOM 828 CD LYS A 408 -11.759 11.940 -0.252 1.00 0.00 C ATOM 829 CE LYS A 408 -13.008 12.127 0.595 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.103 11.207 0.180 1.00 0.00 N ATOM 0 H LYS A 408 -11.323 10.410 1.537 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.682 11.190 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.020 12.620 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.503 13.419 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.006 13.917 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -9.811 12.799 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.002 12.108 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.411 10.910 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.765 11.953 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.350 13.159 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.936 11.366 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.353 11.390 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.786 10.222 0.281 1.00 0.00 H new ATOM 844 N GLU A 409 -9.473 11.027 4.163 1.00 0.00 N ATOM 845 CA GLU A 409 -8.913 10.969 5.507 1.00 0.00 C ATOM 846 C GLU A 409 -7.809 9.921 5.592 1.00 0.00 C ATOM 847 O GLU A 409 -6.718 10.190 6.098 1.00 0.00 O ATOM 848 CB GLU A 409 -10.016 10.649 6.517 1.00 0.00 C ATOM 849 CG GLU A 409 -9.516 10.528 7.945 1.00 0.00 C ATOM 850 CD GLU A 409 -10.622 10.184 8.923 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.586 10.970 9.031 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.523 9.128 9.584 1.00 0.00 O ATOM 0 H GLU A 409 -10.483 10.888 4.121 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.480 11.942 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.776 11.429 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.500 9.716 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.743 9.761 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.051 11.467 8.244 1.00 0.00 H new ATOM 859 N GLU A 410 -8.099 8.728 5.085 1.00 0.00 N ATOM 860 CA GLU A 410 -7.132 7.636 5.094 1.00 0.00 C ATOM 861 C GLU A 410 -5.937 7.972 4.212 1.00 0.00 C ATOM 862 O GLU A 410 -4.790 7.726 4.582 1.00 0.00 O ATOM 863 CB GLU A 410 -7.787 6.340 4.614 1.00 0.00 C ATOM 864 CG GLU A 410 -8.962 5.891 5.470 1.00 0.00 C ATOM 865 CD GLU A 410 -8.562 5.558 6.896 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.082 6.465 7.607 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.730 4.389 7.301 1.00 0.00 O ATOM 0 H GLU A 410 -8.997 8.492 4.662 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.783 7.497 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.128 6.475 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.037 5.549 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.716 6.678 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.424 5.015 5.014 1.00 0.00 H new ATOM 874 N ALA A 411 -6.218 8.540 3.043 1.00 0.00 N ATOM 875 CA ALA A 411 -5.173 8.920 2.101 1.00 0.00 C ATOM 876 C ALA A 411 -4.176 9.871 2.750 1.00 0.00 C ATOM 877 O ALA A 411 -2.969 9.758 2.542 1.00 0.00 O ATOM 878 CB ALA A 411 -5.788 9.563 0.867 1.00 0.00 C ATOM 0 H ALA A 411 -7.165 8.747 2.726 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.638 8.019 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.998 9.843 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.462 8.855 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.345 10.453 1.160 1.00 0.00 H new ATOM 884 N LYS A 412 -4.695 10.806 3.535 1.00 0.00 N ATOM 885 CA LYS A 412 -3.862 11.782 4.223 1.00 0.00 C ATOM 886 C LYS A 412 -2.939 11.097 5.225 1.00 0.00 C ATOM 887 O LYS A 412 -1.761 11.436 5.332 1.00 0.00 O ATOM 888 CB LYS A 412 -4.748 12.803 4.938 1.00 0.00 C ATOM 889 CG LYS A 412 -5.654 13.581 3.996 1.00 0.00 C ATOM 890 CD LYS A 412 -6.666 14.421 4.757 1.00 0.00 C ATOM 891 CE LYS A 412 -5.989 15.488 5.605 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.165 16.412 4.776 1.00 0.00 N ATOM 0 H LYS A 412 -5.694 10.909 3.711 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.244 12.293 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.361 12.287 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.115 13.504 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.049 14.227 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.178 12.887 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.348 14.896 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.267 13.775 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.746 16.059 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.357 15.011 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.915 17.252 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.296 15.926 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.707 16.704 3.938 1.00 0.00 H new