USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 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= -0.431 X(o=-0.38,f=-0.4) USER MOD Set 1.2: A 405 THR OG1 : rot 28:sc= 0.0525 USER MOD Set 2.1: A 377 THR OG1 : rot -3:sc= 0.899 USER MOD Set 2.2: A 380 SER OG : rot -14:sc= 1.21 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.846 F(o=-3.4!,f=-0.85) 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 X(o=0,f=0) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.475 F(o=-2.9!,f=-0.48) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -0.509 K(o=-0.51,f=-2.3!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.663 F(o=-4.4!,f=-0.66) USER MOD Single : A 402 LYS NZ :NH3+ 166:sc= -0.0548 (180deg=-0.291) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -167:sc= -0.0433 (180deg=-0.285) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.173 5.661 -3.285 1.00 0.00 N ATOM 340 CA GLU A 376 -4.276 6.216 -2.512 1.00 0.00 C ATOM 341 C GLU A 376 -5.118 7.175 -3.341 1.00 0.00 C ATOM 342 O GLU A 376 -5.051 8.394 -3.180 1.00 0.00 O ATOM 343 CB GLU A 376 -3.744 6.920 -1.269 1.00 0.00 C ATOM 344 CG GLU A 376 -2.697 7.976 -1.574 1.00 0.00 C ATOM 345 CD GLU A 376 -2.017 8.507 -0.327 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.351 8.035 0.780 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.148 9.395 -0.456 1.00 0.00 O ATOM 0 HA GLU A 376 -4.919 5.389 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.576 7.386 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.315 6.178 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.945 7.554 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.166 8.803 -2.107 1.00 0.00 H new ATOM 354 N THR A 377 -5.922 6.604 -4.215 1.00 0.00 N ATOM 355 CA THR A 377 -6.803 7.382 -5.071 1.00 0.00 C ATOM 356 C THR A 377 -8.137 6.677 -5.250 1.00 0.00 C ATOM 357 O THR A 377 -8.198 5.451 -5.328 1.00 0.00 O ATOM 358 CB THR A 377 -6.185 7.640 -6.456 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.866 6.398 -7.093 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.932 8.495 -6.341 1.00 0.00 C ATOM 0 H THR A 377 -5.985 5.595 -4.354 1.00 0.00 H new ATOM 0 HA THR A 377 -6.953 8.341 -4.576 1.00 0.00 H new ATOM 0 HB THR A 377 -6.917 8.177 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.074 5.657 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.514 8.663 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.186 9.453 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.197 7.982 -5.720 1.00 0.00 H new ATOM 368 N GLU A 378 -9.204 7.463 -5.306 1.00 0.00 N ATOM 369 CA GLU A 378 -10.544 6.917 -5.470 1.00 0.00 C ATOM 370 C GLU A 378 -10.605 6.026 -6.700 1.00 0.00 C ATOM 371 O GLU A 378 -11.257 4.984 -6.697 1.00 0.00 O ATOM 372 CB GLU A 378 -11.563 8.049 -5.596 1.00 0.00 C ATOM 373 CG GLU A 378 -13.003 7.569 -5.679 1.00 0.00 C ATOM 374 CD GLU A 378 -13.992 8.712 -5.793 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.025 9.561 -4.879 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.732 8.759 -6.798 1.00 0.00 O ATOM 0 H GLU A 378 -9.167 8.480 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.785 6.319 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.460 8.715 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.333 8.636 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.114 6.910 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.237 6.978 -4.794 1.00 0.00 H new ATOM 383 N GLY A 379 -9.922 6.458 -7.749 1.00 0.00 N ATOM 384 CA GLY A 379 -9.904 5.707 -8.986 1.00 0.00 C ATOM 385 C GLY A 379 -9.255 4.345 -8.858 1.00 0.00 C ATOM 386 O GLY A 379 -9.711 3.383 -9.471 1.00 0.00 O ATOM 0 H GLY A 379 -9.377 7.320 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.927 5.581 -9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.373 6.283 -9.744 1.00 0.00 H new ATOM 390 N SER A 380 -8.185 4.256 -8.075 1.00 0.00 N ATOM 391 CA SER A 380 -7.488 2.986 -7.903 1.00 0.00 C ATOM 392 C SER A 380 -8.288 2.029 -7.024 1.00 0.00 C ATOM 393 O SER A 380 -8.457 0.857 -7.359 1.00 0.00 O ATOM 394 CB SER A 380 -6.108 3.223 -7.295 1.00 0.00 C ATOM 395 OG SER A 380 -6.212 3.867 -6.040 1.00 0.00 O ATOM 0 H SER A 380 -7.785 5.037 -7.555 1.00 0.00 H new ATOM 0 HA SER A 380 -7.376 2.528 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.590 2.271 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.508 3.831 -7.972 1.00 0.00 H new ATOM 0 HG SER A 380 -7.117 4.227 -5.931 1.00 0.00 H new ATOM 401 N CYS A 381 -8.764 2.541 -5.897 1.00 0.00 N ATOM 402 CA CYS A 381 -9.534 1.746 -4.944 1.00 0.00 C ATOM 403 C CYS A 381 -10.743 1.073 -5.588 1.00 0.00 C ATOM 404 O CYS A 381 -10.970 -0.122 -5.392 1.00 0.00 O ATOM 405 CB CYS A 381 -9.985 2.629 -3.784 1.00 0.00 C ATOM 406 SG CYS A 381 -8.610 3.296 -2.799 1.00 0.00 S ATOM 0 H CYS A 381 -8.630 3.513 -5.617 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.882 0.953 -4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.575 3.457 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.641 2.052 -3.133 1.00 0.00 H new ATOM 411 N ASN A 382 -11.519 1.839 -6.348 1.00 0.00 N ATOM 412 CA ASN A 382 -12.707 1.301 -7.008 1.00 0.00 C ATOM 413 C ASN A 382 -12.351 0.076 -7.840 1.00 0.00 C ATOM 414 O ASN A 382 -13.136 -0.864 -7.954 1.00 0.00 O ATOM 415 CB ASN A 382 -13.350 2.364 -7.901 1.00 0.00 C ATOM 416 CG ASN A 382 -13.756 3.612 -7.138 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.508 3.627 -5.833 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.289 4.558 -7.719 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.349 2.830 -6.523 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.419 1.007 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.651 2.639 -8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.229 1.940 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.463 4.508 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.557 5.392 -7.196 1.00 0.00 H new ATOM 425 N LYS A 383 -11.161 0.105 -8.425 1.00 0.00 N ATOM 426 CA LYS A 383 -10.685 -0.988 -9.258 1.00 0.00 C ATOM 427 C LYS A 383 -10.257 -2.185 -8.413 1.00 0.00 C ATOM 428 O LYS A 383 -10.357 -3.331 -8.853 1.00 0.00 O ATOM 429 CB LYS A 383 -9.515 -0.511 -10.119 1.00 0.00 C ATOM 430 CG LYS A 383 -9.815 0.762 -10.897 1.00 0.00 C ATOM 431 CD LYS A 383 -10.947 0.563 -11.893 1.00 0.00 C ATOM 432 CE LYS A 383 -10.577 -0.451 -12.965 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.681 -0.654 -13.942 1.00 0.00 N ATOM 0 H LYS A 383 -10.504 0.880 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.505 -1.307 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.649 -0.341 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.244 -1.301 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.079 1.559 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.918 1.084 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.841 0.228 -11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.192 1.516 -12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.684 -0.113 -13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.329 -1.402 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.389 -1.352 -14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.526 -1.001 -13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.901 0.248 -14.410 1.00 0.00 H new ATOM 447 N LYS A 384 -9.761 -1.915 -7.207 1.00 0.00 N ATOM 448 CA LYS A 384 -9.300 -2.966 -6.319 1.00 0.00 C ATOM 449 C LYS A 384 -10.413 -3.934 -5.958 1.00 0.00 C ATOM 450 O LYS A 384 -11.560 -3.782 -6.381 1.00 0.00 O ATOM 451 CB LYS A 384 -8.726 -2.358 -5.049 1.00 0.00 C ATOM 452 CG LYS A 384 -7.758 -1.227 -5.324 1.00 0.00 C ATOM 453 CD LYS A 384 -6.628 -1.631 -6.247 1.00 0.00 C ATOM 454 CE LYS A 384 -5.967 -2.861 -5.720 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.546 -2.978 -6.154 1.00 0.00 N ATOM 0 H LYS A 384 -9.670 -0.973 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.528 -3.524 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.542 -1.988 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.217 -3.135 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.300 -0.391 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.341 -0.874 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.012 -1.814 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.902 -0.821 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -6.011 -2.855 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.519 -3.738 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.134 -3.848 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.502 -3.012 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.010 -2.156 -5.811 1.00 0.00 H new ATOM 469 N ASP A 385 -10.051 -4.917 -5.151 1.00 0.00 N ATOM 470 CA ASP A 385 -10.988 -5.932 -4.682 1.00 0.00 C ATOM 471 C ASP A 385 -10.794 -6.160 -3.188 1.00 0.00 C ATOM 472 O ASP A 385 -10.183 -5.341 -2.509 1.00 0.00 O ATOM 473 CB ASP A 385 -10.781 -7.251 -5.438 1.00 0.00 C ATOM 474 CG ASP A 385 -11.152 -7.163 -6.908 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.651 -6.103 -7.337 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.954 -8.164 -7.628 1.00 0.00 O ATOM 0 H ASP A 385 -9.100 -5.037 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.003 -5.580 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.737 -7.552 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.378 -8.031 -4.965 1.00 0.00 H new ATOM 481 N GLN A 386 -11.300 -7.275 -2.677 1.00 0.00 N ATOM 482 CA GLN A 386 -11.157 -7.582 -1.259 1.00 0.00 C ATOM 483 C GLN A 386 -9.688 -7.775 -0.900 1.00 0.00 C ATOM 484 O GLN A 386 -9.138 -7.043 -0.076 1.00 0.00 O ATOM 485 CB GLN A 386 -11.954 -8.840 -0.907 1.00 0.00 C ATOM 486 CG GLN A 386 -11.890 -9.214 0.565 1.00 0.00 C ATOM 487 CD GLN A 386 -12.685 -10.466 0.882 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.401 -11.544 0.359 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.689 -10.328 1.739 1.00 0.00 N ATOM 0 H GLN A 386 -11.808 -7.976 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.549 -6.744 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.996 -8.690 -1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.580 -9.674 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.850 -9.366 0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.269 -8.386 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.888 -9.415 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.261 -11.135 1.988 1.00 0.00 H new ATOM 498 N ASN A 387 -9.057 -8.757 -1.533 1.00 0.00 N ATOM 499 CA ASN A 387 -7.649 -9.048 -1.290 1.00 0.00 C ATOM 500 C ASN A 387 -6.759 -8.034 -1.997 1.00 0.00 C ATOM 501 O ASN A 387 -5.569 -8.270 -2.207 1.00 0.00 O ATOM 502 CB ASN A 387 -7.321 -10.453 -1.784 1.00 0.00 C ATOM 503 CG ASN A 387 -5.971 -10.955 -1.310 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.339 -10.215 -0.408 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -5.508 -12.012 -1.740 1.00 0.00 N flip ATOM 0 H ASN A 387 -9.500 -9.367 -2.220 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.462 -8.985 -0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -8.096 -11.140 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.342 -10.462 -2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.026 -12.551 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.606 -12.348 -1.403 1.00 0.00 H new ATOM 512 N GLU A 388 -7.349 -6.910 -2.368 1.00 0.00 N ATOM 513 CA GLU A 388 -6.621 -5.855 -3.060 1.00 0.00 C ATOM 514 C GLU A 388 -6.961 -4.493 -2.481 1.00 0.00 C ATOM 515 O GLU A 388 -6.274 -3.508 -2.752 1.00 0.00 O ATOM 516 CB GLU A 388 -6.938 -5.887 -4.555 1.00 0.00 C ATOM 517 CG GLU A 388 -6.570 -7.200 -5.227 1.00 0.00 C ATOM 518 CD GLU A 388 -6.888 -7.204 -6.709 1.00 0.00 C ATOM 519 OE1 GLU A 388 -8.075 -7.030 -7.062 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.952 -7.378 -7.516 1.00 0.00 O ATOM 0 H GLU A 388 -8.334 -6.702 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.554 -6.029 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.003 -5.702 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.405 -5.074 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.506 -7.390 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.106 -8.015 -4.742 1.00 0.00 H new ATOM 527 N CYS A 389 -8.015 -4.439 -1.674 1.00 0.00 N ATOM 528 CA CYS A 389 -8.419 -3.185 -1.059 1.00 0.00 C ATOM 529 C CYS A 389 -7.271 -2.671 -0.199 1.00 0.00 C ATOM 530 O CYS A 389 -7.012 -3.183 0.891 1.00 0.00 O ATOM 531 CB CYS A 389 -9.694 -3.379 -0.231 1.00 0.00 C ATOM 532 SG CYS A 389 -10.582 -1.830 0.128 1.00 0.00 S ATOM 0 H CYS A 389 -8.598 -5.241 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.644 -2.448 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.363 -4.055 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.434 -3.864 0.710 1.00 0.00 H new ATOM 537 N LYS A 390 -6.554 -1.688 -0.731 1.00 0.00 N ATOM 538 CA LYS A 390 -5.389 -1.125 -0.061 1.00 0.00 C ATOM 539 C LYS A 390 -5.748 -0.304 1.175 1.00 0.00 C ATOM 540 O LYS A 390 -6.900 0.087 1.368 1.00 0.00 O ATOM 541 CB LYS A 390 -4.582 -0.297 -1.052 1.00 0.00 C ATOM 542 CG LYS A 390 -4.084 -1.115 -2.236 1.00 0.00 C ATOM 543 CD LYS A 390 -3.157 -0.309 -3.131 1.00 0.00 C ATOM 544 CE LYS A 390 -1.878 0.079 -2.403 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.943 0.829 -3.285 1.00 0.00 N ATOM 0 H LYS A 390 -6.762 -1.261 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.785 -1.957 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.197 0.525 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.729 0.147 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.560 -1.999 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.936 -1.467 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.909 -0.891 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.670 0.590 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.126 0.689 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.385 -0.819 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.085 1.075 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.686 0.238 -4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.404 1.699 -3.619 1.00 0.00 H new ATOM 559 N SER A 391 -4.739 -0.077 2.018 1.00 0.00 N ATOM 560 CA SER A 391 -4.907 0.670 3.265 1.00 0.00 C ATOM 561 C SER A 391 -5.661 1.984 3.057 1.00 0.00 C ATOM 562 O SER A 391 -6.656 2.234 3.738 1.00 0.00 O ATOM 563 CB SER A 391 -3.545 0.942 3.907 1.00 0.00 C ATOM 564 OG SER A 391 -3.686 1.631 5.137 1.00 0.00 O ATOM 0 H SER A 391 -3.787 -0.404 1.856 1.00 0.00 H new ATOM 0 HA SER A 391 -5.508 0.052 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.024 -0.001 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.930 1.531 3.226 1.00 0.00 H new ATOM 0 HG SER A 391 -2.801 1.790 5.526 1.00 0.00 H new ATOM 570 N PRO A 392 -5.219 2.847 2.118 1.00 0.00 N ATOM 571 CA PRO A 392 -5.892 4.118 1.851 1.00 0.00 C ATOM 572 C PRO A 392 -7.366 3.908 1.553 1.00 0.00 C ATOM 573 O PRO A 392 -8.216 4.724 1.912 1.00 0.00 O ATOM 574 CB PRO A 392 -5.172 4.648 0.604 1.00 0.00 C ATOM 575 CG PRO A 392 -4.454 3.476 0.040 1.00 0.00 C ATOM 576 CD PRO A 392 -4.056 2.676 1.229 1.00 0.00 C ATOM 0 HA PRO A 392 -5.849 4.799 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.881 5.059 -0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.478 5.449 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.095 2.902 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.584 3.785 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.885 1.629 0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.138 3.049 1.683 1.00 0.00 H new ATOM 584 N CYS A 393 -7.647 2.801 0.883 1.00 0.00 N ATOM 585 CA CYS A 393 -9.004 2.444 0.505 1.00 0.00 C ATOM 586 C CYS A 393 -9.818 1.985 1.706 1.00 0.00 C ATOM 587 O CYS A 393 -9.275 1.459 2.677 1.00 0.00 O ATOM 588 CB CYS A 393 -8.969 1.334 -0.537 1.00 0.00 C ATOM 589 SG CYS A 393 -7.829 1.649 -1.920 1.00 0.00 S ATOM 0 H CYS A 393 -6.942 2.126 0.587 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.482 3.332 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.683 0.402 -0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.974 1.191 -0.934 1.00 0.00 H new ATOM 594 N LYS A 394 -11.129 2.171 1.617 1.00 0.00 N ATOM 595 CA LYS A 394 -12.037 1.757 2.678 1.00 0.00 C ATOM 596 C LYS A 394 -12.905 0.597 2.217 1.00 0.00 C ATOM 597 O LYS A 394 -13.670 0.716 1.253 1.00 0.00 O ATOM 598 CB LYS A 394 -12.912 2.924 3.140 1.00 0.00 C ATOM 599 CG LYS A 394 -12.174 3.942 3.991 1.00 0.00 C ATOM 600 CD LYS A 394 -13.121 4.997 4.546 1.00 0.00 C ATOM 601 CE LYS A 394 -14.140 4.389 5.498 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.071 5.413 6.047 1.00 0.00 N ATOM 0 H LYS A 394 -11.588 2.608 0.818 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.434 1.428 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.324 3.426 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.755 2.531 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.671 3.434 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -11.400 4.424 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -12.548 5.764 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.639 5.490 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.712 3.622 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.620 3.895 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.749 4.957 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.529 6.132 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.587 5.867 5.266 1.00 0.00 H new ATOM 616 N TRP A 395 -12.769 -0.525 2.913 1.00 0.00 N ATOM 617 CA TRP A 395 -13.519 -1.731 2.598 1.00 0.00 C ATOM 618 C TRP A 395 -14.924 -1.672 3.190 1.00 0.00 C ATOM 619 O TRP A 395 -15.133 -1.100 4.260 1.00 0.00 O ATOM 620 CB TRP A 395 -12.779 -2.959 3.136 1.00 0.00 C ATOM 621 CG TRP A 395 -13.407 -4.259 2.744 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.890 -5.222 3.583 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.608 -4.749 1.413 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.389 -6.275 2.855 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.225 -6.009 1.521 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.329 -4.242 0.141 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.568 -6.768 0.406 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.670 -4.997 -0.965 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.283 -6.247 -0.826 1.00 0.00 C ATOM 0 H TRP A 395 -12.138 -0.623 3.708 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.607 -1.806 1.514 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.750 -2.939 2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.737 -2.899 4.224 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.881 -5.164 4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.812 -7.117 3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.856 -3.278 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.042 -7.733 0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.460 -4.616 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.537 -6.813 -1.710 1.00 0.00 H new ATOM 640 N HIS A 396 -15.881 -2.277 2.494 1.00 0.00 N ATOM 641 CA HIS A 396 -17.262 -2.303 2.961 1.00 0.00 C ATOM 642 C HIS A 396 -17.894 -3.664 2.686 1.00 0.00 C ATOM 643 O HIS A 396 -18.011 -4.087 1.529 1.00 0.00 O ATOM 644 CB HIS A 396 -18.083 -1.205 2.284 1.00 0.00 C ATOM 645 CG HIS A 396 -17.519 0.171 2.472 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.345 0.750 3.711 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.088 1.083 1.568 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.831 1.958 3.562 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.667 2.184 2.273 1.00 0.00 N ATOM 0 H HIS A 396 -15.726 -2.755 1.606 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.257 -2.125 4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -18.149 -1.418 1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.099 -1.229 2.677 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.077 0.966 0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.587 2.644 4.360 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.288 3.039 1.865 1.00 0.00 H new ATOM 658 N ASN A 397 -18.294 -4.338 3.762 1.00 0.00 N ATOM 659 CA ASN A 397 -18.914 -5.655 3.673 1.00 0.00 C ATOM 660 C ASN A 397 -20.419 -5.542 3.451 1.00 0.00 C ATOM 661 O ASN A 397 -21.003 -4.470 3.615 1.00 0.00 O ATOM 662 CB ASN A 397 -18.634 -6.457 4.946 1.00 0.00 C ATOM 663 CG ASN A 397 -19.153 -5.769 6.194 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.352 -5.529 6.332 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.248 -5.446 7.111 1.00 0.00 N ATOM 0 H ASN A 397 -18.198 -3.987 4.715 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.481 -6.174 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.095 -7.441 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.560 -6.615 5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.537 -4.980 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.264 -5.664 6.955 1.00 0.00 H new ATOM 672 N ASP A 398 -21.037 -6.658 3.072 1.00 0.00 N ATOM 673 CA ASP A 398 -22.473 -6.701 2.821 1.00 0.00 C ATOM 674 C ASP A 398 -22.846 -5.691 1.739 1.00 0.00 C ATOM 675 O ASP A 398 -23.908 -5.069 1.782 1.00 0.00 O ATOM 676 CB ASP A 398 -23.247 -6.417 4.114 1.00 0.00 C ATOM 677 CG ASP A 398 -24.691 -6.880 4.050 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.443 -6.379 3.188 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.071 -7.746 4.865 1.00 0.00 O ATOM 0 H ASP A 398 -20.561 -7.549 2.932 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.741 -7.698 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.748 -6.913 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.222 -5.347 4.319 1.00 0.00 H new ATOM 684 N ALA A 399 -21.955 -5.536 0.768 1.00 0.00 N ATOM 685 CA ALA A 399 -22.168 -4.612 -0.336 1.00 0.00 C ATOM 686 C ALA A 399 -22.800 -5.325 -1.526 1.00 0.00 C ATOM 687 O ALA A 399 -22.617 -6.529 -1.704 1.00 0.00 O ATOM 688 CB ALA A 399 -20.853 -3.961 -0.740 1.00 0.00 C ATOM 0 H ALA A 399 -21.071 -6.043 0.724 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.855 -3.834 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.027 -3.272 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.442 -3.413 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.147 -4.731 -1.051 1.00 0.00 H new ATOM 694 N GLU A 400 -23.543 -4.576 -2.336 1.00 0.00 N ATOM 695 CA GLU A 400 -24.199 -5.138 -3.513 1.00 0.00 C ATOM 696 C GLU A 400 -23.200 -5.917 -4.362 1.00 0.00 C ATOM 697 O GLU A 400 -23.570 -6.843 -5.084 1.00 0.00 O ATOM 698 CB GLU A 400 -24.839 -4.029 -4.351 1.00 0.00 C ATOM 699 CG GLU A 400 -25.890 -3.227 -3.603 1.00 0.00 C ATOM 700 CD GLU A 400 -26.528 -2.155 -4.465 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.127 -2.507 -5.503 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.429 -0.965 -4.102 1.00 0.00 O ATOM 0 H GLU A 400 -23.706 -3.578 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.979 -5.819 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.058 -3.353 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.295 -4.472 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.664 -3.902 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.433 -2.762 -2.730 1.00 0.00 H new ATOM 709 N ASN A 401 -21.931 -5.533 -4.264 1.00 0.00 N ATOM 710 CA ASN A 401 -20.870 -6.189 -5.015 1.00 0.00 C ATOM 711 C ASN A 401 -19.500 -5.808 -4.463 1.00 0.00 C ATOM 712 O ASN A 401 -18.564 -5.547 -5.220 1.00 0.00 O ATOM 713 CB ASN A 401 -20.964 -5.822 -6.498 1.00 0.00 C ATOM 714 CG ASN A 401 -20.829 -4.329 -6.762 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.698 -3.533 -5.704 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.846 -3.893 -7.914 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.613 -4.768 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.994 -7.267 -4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.185 -6.352 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.921 -6.168 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.948 -4.534 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.758 -2.891 -8.081 1.00 0.00 H new ATOM 723 N LYS A 402 -19.397 -5.783 -3.133 1.00 0.00 N ATOM 724 CA LYS A 402 -18.149 -5.438 -2.452 1.00 0.00 C ATOM 725 C LYS A 402 -17.768 -3.984 -2.716 1.00 0.00 C ATOM 726 O LYS A 402 -17.781 -3.530 -3.861 1.00 0.00 O ATOM 727 CB LYS A 402 -17.018 -6.364 -2.911 1.00 0.00 C ATOM 728 CG LYS A 402 -17.349 -7.844 -2.789 1.00 0.00 C ATOM 729 CD LYS A 402 -17.603 -8.250 -1.346 1.00 0.00 C ATOM 730 CE LYS A 402 -17.943 -9.727 -1.238 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.850 -10.589 -1.769 1.00 0.00 N ATOM 0 H LYS A 402 -20.169 -5.999 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.303 -5.567 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.776 -6.140 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.125 -6.151 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.230 -8.070 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.527 -8.435 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.720 -8.033 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.421 -7.656 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.131 -9.981 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.863 -9.929 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.006 -11.572 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.844 -10.542 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.936 -10.256 -1.402 1.00 0.00 H new ATOM 745 N LYS A 403 -17.432 -3.249 -1.657 1.00 0.00 N ATOM 746 CA LYS A 403 -17.057 -1.845 -1.808 1.00 0.00 C ATOM 747 C LYS A 403 -15.664 -1.567 -1.248 1.00 0.00 C ATOM 748 O LYS A 403 -15.290 -2.071 -0.191 1.00 0.00 O ATOM 749 CB LYS A 403 -18.085 -0.939 -1.131 1.00 0.00 C ATOM 750 CG LYS A 403 -19.458 -0.973 -1.786 1.00 0.00 C ATOM 751 CD LYS A 403 -19.421 -0.426 -3.207 1.00 0.00 C ATOM 752 CE LYS A 403 -19.032 1.043 -3.232 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.996 1.586 -4.618 1.00 0.00 N ATOM 0 H LYS A 403 -17.412 -3.596 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.037 -1.627 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.184 -1.234 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.714 0.086 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.828 -1.998 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.160 -0.389 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.710 -1.001 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.399 -0.552 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.742 1.616 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.053 1.167 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.727 2.590 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.300 1.056 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.936 1.492 -5.052 1.00 0.00 H new ATOM 767 N CYS A 404 -14.910 -0.747 -1.974 1.00 0.00 N ATOM 768 CA CYS A 404 -13.555 -0.368 -1.582 1.00 0.00 C ATOM 769 C CYS A 404 -13.265 1.050 -2.065 1.00 0.00 C ATOM 770 O CYS A 404 -12.487 1.256 -2.995 1.00 0.00 O ATOM 771 CB CYS A 404 -12.530 -1.343 -2.172 1.00 0.00 C ATOM 772 SG CYS A 404 -10.807 -0.979 -1.708 1.00 0.00 S ATOM 0 H CYS A 404 -15.220 -0.326 -2.850 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.478 -0.406 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.777 -2.354 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.614 -1.328 -3.259 1.00 0.00 H new ATOM 777 N THR A 405 -13.927 2.023 -1.443 1.00 0.00 N ATOM 778 CA THR A 405 -13.770 3.426 -1.826 1.00 0.00 C ATOM 779 C THR A 405 -12.633 4.114 -1.078 1.00 0.00 C ATOM 780 O THR A 405 -12.506 3.985 0.139 1.00 0.00 O ATOM 781 CB THR A 405 -15.070 4.215 -1.587 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.450 4.129 -0.208 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.194 3.682 -2.464 1.00 0.00 C ATOM 0 H THR A 405 -14.577 1.867 -0.672 1.00 0.00 H new ATOM 0 HA THR A 405 -13.528 3.421 -2.889 1.00 0.00 H new ATOM 0 HB THR A 405 -14.890 5.258 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.650 4.006 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.103 4.254 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.913 3.777 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.372 2.632 -2.230 1.00 0.00 H new ATOM 791 N LEU A 406 -11.819 4.864 -1.819 1.00 0.00 N ATOM 792 CA LEU A 406 -10.697 5.593 -1.243 1.00 0.00 C ATOM 793 C LEU A 406 -11.186 6.613 -0.226 1.00 0.00 C ATOM 794 O LEU A 406 -12.221 7.252 -0.415 1.00 0.00 O ATOM 795 CB LEU A 406 -9.895 6.283 -2.351 1.00 0.00 C ATOM 796 CG LEU A 406 -8.582 6.951 -1.919 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.831 8.321 -1.311 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.819 6.067 -0.944 1.00 0.00 C ATOM 0 H LEU A 406 -11.919 4.981 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.048 4.884 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.667 5.545 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.529 7.040 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.973 7.086 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.881 8.766 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.319 8.962 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.472 8.219 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.893 6.562 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.430 5.890 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.587 5.115 -1.421 1.00 0.00 H new ATOM 810 N ASP A 407 -10.431 6.753 0.851 1.00 0.00 N ATOM 811 CA ASP A 407 -10.777 7.690 1.914 1.00 0.00 C ATOM 812 C ASP A 407 -9.830 8.886 1.913 1.00 0.00 C ATOM 813 O ASP A 407 -8.613 8.724 1.864 1.00 0.00 O ATOM 814 CB ASP A 407 -10.726 6.986 3.271 1.00 0.00 C ATOM 815 CG ASP A 407 -11.188 7.874 4.412 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.598 9.024 4.147 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.145 7.416 5.574 1.00 0.00 O ATOM 0 H ASP A 407 -9.571 6.229 1.015 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.789 8.052 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.350 6.093 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.706 6.654 3.465 1.00 0.00 H new ATOM 822 N LYS A 408 -10.400 10.086 1.968 1.00 0.00 N ATOM 823 CA LYS A 408 -9.607 11.309 1.977 1.00 0.00 C ATOM 824 C LYS A 408 -8.807 11.428 3.272 1.00 0.00 C ATOM 825 O LYS A 408 -7.634 11.795 3.255 1.00 0.00 O ATOM 826 CB LYS A 408 -10.513 12.530 1.810 1.00 0.00 C ATOM 827 CG LYS A 408 -11.324 12.511 0.524 1.00 0.00 C ATOM 828 CD LYS A 408 -12.220 13.733 0.413 1.00 0.00 C ATOM 829 CE LYS A 408 -13.026 13.717 -0.875 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.151 13.704 -2.080 1.00 0.00 N ATOM 0 H LYS A 408 -11.408 10.237 2.007 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.909 11.267 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.194 12.586 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.902 13.432 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.650 12.474 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.933 11.608 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.897 13.768 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.611 14.636 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.673 12.840 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.675 14.592 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.720 13.914 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.407 14.423 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.714 12.766 -2.182 1.00 0.00 H new ATOM 844 N GLU A 409 -9.456 11.118 4.391 1.00 0.00 N ATOM 845 CA GLU A 409 -8.810 11.190 5.699 1.00 0.00 C ATOM 846 C GLU A 409 -7.686 10.165 5.818 1.00 0.00 C ATOM 847 O GLU A 409 -6.622 10.454 6.366 1.00 0.00 O ATOM 848 CB GLU A 409 -9.837 10.964 6.810 1.00 0.00 C ATOM 849 CG GLU A 409 -10.960 11.988 6.820 1.00 0.00 C ATOM 850 CD GLU A 409 -11.966 11.741 7.928 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.790 10.763 8.685 1.00 0.00 O ATOM 852 OE2 GLU A 409 -12.931 12.527 8.038 1.00 0.00 O ATOM 0 H GLU A 409 -10.429 10.814 4.419 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.378 12.185 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.266 9.968 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.328 10.986 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.536 12.985 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.473 11.969 5.858 1.00 0.00 H new ATOM 859 N GLU A 410 -7.933 8.964 5.313 1.00 0.00 N ATOM 860 CA GLU A 410 -6.945 7.893 5.370 1.00 0.00 C ATOM 861 C GLU A 410 -5.767 8.183 4.444 1.00 0.00 C ATOM 862 O GLU A 410 -4.609 8.046 4.835 1.00 0.00 O ATOM 863 CB GLU A 410 -7.590 6.556 4.995 1.00 0.00 C ATOM 864 CG GLU A 410 -6.650 5.365 5.110 1.00 0.00 C ATOM 865 CD GLU A 410 -6.192 5.112 6.535 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.521 5.994 7.112 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.506 4.030 7.075 1.00 0.00 O ATOM 0 H GLU A 410 -8.809 8.706 4.859 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.570 7.834 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.454 6.388 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.960 6.617 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.151 4.474 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.778 5.534 4.478 1.00 0.00 H new ATOM 874 N ALA A 411 -6.074 8.581 3.212 1.00 0.00 N ATOM 875 CA ALA A 411 -5.045 8.886 2.223 1.00 0.00 C ATOM 876 C ALA A 411 -4.169 10.053 2.665 1.00 0.00 C ATOM 877 O ALA A 411 -2.948 10.011 2.520 1.00 0.00 O ATOM 878 CB ALA A 411 -5.683 9.188 0.875 1.00 0.00 C ATOM 0 H ALA A 411 -7.029 8.700 2.875 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.406 8.008 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.904 9.414 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.253 8.321 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.349 10.045 0.972 1.00 0.00 H new ATOM 884 N LYS A 412 -4.798 11.097 3.195 1.00 0.00 N ATOM 885 CA LYS A 412 -4.067 12.274 3.647 1.00 0.00 C ATOM 886 C LYS A 412 -3.122 11.916 4.791 1.00 0.00 C ATOM 887 O LYS A 412 -2.008 12.434 4.874 1.00 0.00 O ATOM 888 CB LYS A 412 -5.038 13.375 4.085 1.00 0.00 C ATOM 889 CG LYS A 412 -5.766 13.074 5.385 1.00 0.00 C ATOM 890 CD LYS A 412 -6.786 14.151 5.712 1.00 0.00 C ATOM 891 CE LYS A 412 -7.371 13.964 7.102 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.365 15.021 7.434 1.00 0.00 N ATOM 0 H LYS A 412 -5.809 11.152 3.322 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.473 12.646 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.487 14.309 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.774 13.532 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.266 12.109 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.044 12.996 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.315 15.132 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.587 14.130 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.847 12.985 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.568 13.977 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.740 14.857 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.906 15.953 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -9.145 14.992 6.747 1.00 0.00 H new