USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 401 ASN :FLIP amide:sc= -0.615 F(o=-9.6!,f=-3.4) USER MOD Set 1.2: A 403 LYS NZ :NH3+ -139:sc= -2.8! (180deg=-5.58!) USER MOD Set 2.1: A 394 LYS NZ :NH3+ -126:sc= -5.42! (180deg=-8.07!) USER MOD Set 2.2: A 396 HIS : no HD1:sc= -2.29! K(o=-8!,f=-8.5) USER MOD Set 2.3: A 405 THR OG1 : rot 130:sc= -0.24 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot -159:sc= 0.918 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.76 F(o=-6.2!,f=-1.8) USER MOD Single : A 383 LYS NZ :NH3+ 164:sc= -0.0841 (180deg=-0.319) USER MOD Single : A 384 LYS NZ :NH3+ -117:sc= -0.425 (180deg=-3.27!) USER MOD Single : A 386 GLN : amide:sc=-0.00226 X(o=-0.0023,f=0.011) USER MOD Single : A 387 ASN :FLIP amide:sc= -2.23 F(o=-12!,f=-2.2) USER MOD Single : A 390 LYS NZ :NH3+ -129:sc= 0.0144 (180deg=-0.242) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 397 ASN : amide:sc= -1.65! C(o=-1.6!,f=-4.6!) USER MOD Single : A 402 LYS NZ :NH3+ 158:sc= -5.16! (180deg=-7.13!) USER MOD Single : A 408 LYS NZ :NH3+ -167:sc=-0.00609 (180deg=-0.219) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc=-0.00453 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.163 5.361 -3.675 1.00 0.00 N ATOM 340 CA GLU A 376 -4.045 5.149 -4.814 1.00 0.00 C ATOM 341 C GLU A 376 -5.031 6.308 -4.968 1.00 0.00 C ATOM 342 O GLU A 376 -4.763 7.426 -4.526 1.00 0.00 O ATOM 343 CB GLU A 376 -4.796 3.824 -4.641 1.00 0.00 C ATOM 344 CG GLU A 376 -3.880 2.638 -4.394 1.00 0.00 C ATOM 345 CD GLU A 376 -2.967 2.351 -5.570 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.487 2.086 -6.674 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.733 2.391 -5.387 1.00 0.00 O ATOM 0 HA GLU A 376 -3.441 5.105 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.492 3.916 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.392 3.634 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.275 2.829 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.484 1.755 -4.184 1.00 0.00 H new ATOM 354 N THR A 377 -6.172 6.031 -5.595 1.00 0.00 N ATOM 355 CA THR A 377 -7.204 7.038 -5.814 1.00 0.00 C ATOM 356 C THR A 377 -8.577 6.383 -5.841 1.00 0.00 C ATOM 357 O THR A 377 -8.684 5.170 -6.004 1.00 0.00 O ATOM 358 CB THR A 377 -6.982 7.801 -7.137 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.032 6.890 -8.242 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.644 8.524 -7.133 1.00 0.00 C ATOM 0 H THR A 377 -6.405 5.109 -5.963 1.00 0.00 H new ATOM 0 HA THR A 377 -7.146 7.750 -4.991 1.00 0.00 H new ATOM 0 HB THR A 377 -7.775 8.542 -7.237 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.892 7.382 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.514 9.053 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.619 9.238 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.839 7.799 -7.009 1.00 0.00 H new ATOM 368 N GLU A 378 -9.622 7.184 -5.662 1.00 0.00 N ATOM 369 CA GLU A 378 -10.987 6.665 -5.651 1.00 0.00 C ATOM 370 C GLU A 378 -11.223 5.727 -6.822 1.00 0.00 C ATOM 371 O GLU A 378 -11.751 4.631 -6.657 1.00 0.00 O ATOM 372 CB GLU A 378 -11.990 7.814 -5.709 1.00 0.00 C ATOM 373 CG GLU A 378 -13.430 7.374 -5.496 1.00 0.00 C ATOM 374 CD GLU A 378 -14.411 8.528 -5.568 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.966 9.675 -5.786 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.625 8.285 -5.407 1.00 0.00 O ATOM 0 H GLU A 378 -9.552 8.192 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.126 6.108 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.728 8.553 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.909 8.308 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.694 6.631 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.517 6.888 -4.524 1.00 0.00 H new ATOM 383 N GLY A 379 -10.826 6.171 -8.000 1.00 0.00 N ATOM 384 CA GLY A 379 -11.004 5.366 -9.191 1.00 0.00 C ATOM 385 C GLY A 379 -10.228 4.068 -9.147 1.00 0.00 C ATOM 386 O GLY A 379 -10.722 3.031 -9.586 1.00 0.00 O ATOM 0 H GLY A 379 -10.382 7.076 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.064 5.145 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.691 5.941 -10.062 1.00 0.00 H new ATOM 390 N SER A 380 -9.012 4.123 -8.623 1.00 0.00 N ATOM 391 CA SER A 380 -8.171 2.936 -8.536 1.00 0.00 C ATOM 392 C SER A 380 -8.725 1.925 -7.535 1.00 0.00 C ATOM 393 O SER A 380 -8.856 0.744 -7.846 1.00 0.00 O ATOM 394 CB SER A 380 -6.749 3.324 -8.151 1.00 0.00 C ATOM 395 OG SER A 380 -5.913 2.184 -8.060 1.00 0.00 O ATOM 0 H SER A 380 -8.586 4.973 -8.253 1.00 0.00 H new ATOM 0 HA SER A 380 -8.163 2.465 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.345 4.016 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.759 3.848 -7.195 1.00 0.00 H new ATOM 0 HG SER A 380 -5.130 2.396 -7.510 1.00 0.00 H new ATOM 401 N CYS A 381 -9.042 2.395 -6.332 1.00 0.00 N ATOM 402 CA CYS A 381 -9.567 1.529 -5.276 1.00 0.00 C ATOM 403 C CYS A 381 -10.815 0.777 -5.726 1.00 0.00 C ATOM 404 O CYS A 381 -10.946 -0.423 -5.478 1.00 0.00 O ATOM 405 CB CYS A 381 -9.878 2.346 -4.022 1.00 0.00 C ATOM 406 SG CYS A 381 -8.421 3.146 -3.275 1.00 0.00 S ATOM 0 H CYS A 381 -8.945 3.374 -6.062 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.796 0.793 -5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.611 3.113 -4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.340 1.693 -3.282 1.00 0.00 H new ATOM 411 N ASN A 382 -11.733 1.481 -6.381 1.00 0.00 N ATOM 412 CA ASN A 382 -12.971 0.867 -6.855 1.00 0.00 C ATOM 413 C ASN A 382 -12.677 -0.373 -7.691 1.00 0.00 C ATOM 414 O ASN A 382 -13.494 -1.290 -7.771 1.00 0.00 O ATOM 415 CB ASN A 382 -13.785 1.862 -7.684 1.00 0.00 C ATOM 416 CG ASN A 382 -14.144 3.123 -6.920 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.706 3.215 -5.670 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.808 4.012 -7.452 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.645 2.474 -6.596 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.551 0.573 -5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.218 2.133 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.700 1.378 -8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.126 3.904 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.040 4.857 -6.930 1.00 0.00 H new ATOM 425 N LYS A 383 -11.506 -0.389 -8.317 1.00 0.00 N ATOM 426 CA LYS A 383 -11.100 -1.506 -9.155 1.00 0.00 C ATOM 427 C LYS A 383 -10.464 -2.609 -8.319 1.00 0.00 C ATOM 428 O LYS A 383 -10.642 -3.796 -8.595 1.00 0.00 O ATOM 429 CB LYS A 383 -10.117 -1.021 -10.220 1.00 0.00 C ATOM 430 CG LYS A 383 -10.539 0.282 -10.885 1.00 0.00 C ATOM 431 CD LYS A 383 -11.917 0.171 -11.520 1.00 0.00 C ATOM 432 CE LYS A 383 -12.312 1.462 -12.216 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.348 1.836 -13.287 1.00 0.00 N ATOM 0 H LYS A 383 -10.820 0.363 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.986 -1.916 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.136 -0.886 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.010 -1.792 -10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.543 1.083 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.809 0.555 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.923 -0.648 -12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.654 -0.071 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.307 1.352 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.369 2.266 -11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.779 2.550 -13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.485 2.226 -12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.105 0.993 -13.846 1.00 0.00 H new ATOM 447 N LYS A 384 -9.711 -2.205 -7.301 1.00 0.00 N ATOM 448 CA LYS A 384 -9.031 -3.142 -6.423 1.00 0.00 C ATOM 449 C LYS A 384 -10.015 -4.020 -5.657 1.00 0.00 C ATOM 450 O LYS A 384 -10.921 -3.520 -4.991 1.00 0.00 O ATOM 451 CB LYS A 384 -8.147 -2.369 -5.444 1.00 0.00 C ATOM 452 CG LYS A 384 -6.802 -1.931 -6.017 1.00 0.00 C ATOM 453 CD LYS A 384 -6.914 -1.334 -7.412 1.00 0.00 C ATOM 454 CE LYS A 384 -6.704 -2.381 -8.497 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.802 -1.795 -9.861 1.00 0.00 N ATOM 0 H LYS A 384 -9.557 -1.225 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.418 -3.800 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.688 -1.486 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.969 -2.990 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.351 -1.197 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.130 -2.789 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.896 -0.877 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.177 -0.539 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.725 -2.844 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.447 -3.171 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.605 -2.222 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.946 -0.768 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.924 -1.985 -10.384 1.00 0.00 H new ATOM 469 N ASP A 385 -9.818 -5.334 -5.741 1.00 0.00 N ATOM 470 CA ASP A 385 -10.675 -6.282 -5.039 1.00 0.00 C ATOM 471 C ASP A 385 -10.379 -6.244 -3.545 1.00 0.00 C ATOM 472 O ASP A 385 -9.619 -5.394 -3.086 1.00 0.00 O ATOM 473 CB ASP A 385 -10.468 -7.696 -5.584 1.00 0.00 C ATOM 474 CG ASP A 385 -10.809 -7.802 -7.058 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.971 -7.525 -7.420 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.913 -8.163 -7.849 1.00 0.00 O ATOM 0 H ASP A 385 -9.073 -5.765 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.715 -5.999 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.430 -7.993 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.086 -8.394 -5.020 1.00 0.00 H new ATOM 481 N GLN A 386 -10.969 -7.166 -2.790 1.00 0.00 N ATOM 482 CA GLN A 386 -10.750 -7.218 -1.347 1.00 0.00 C ATOM 483 C GLN A 386 -9.259 -7.255 -1.031 1.00 0.00 C ATOM 484 O GLN A 386 -8.756 -6.438 -0.259 1.00 0.00 O ATOM 485 CB GLN A 386 -11.444 -8.442 -0.745 1.00 0.00 C ATOM 486 CG GLN A 386 -11.394 -8.482 0.774 1.00 0.00 C ATOM 487 CD GLN A 386 -12.062 -9.717 1.348 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.246 -9.961 1.117 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.302 -10.499 2.104 1.00 0.00 N ATOM 0 H GLN A 386 -11.599 -7.883 -3.150 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.178 -6.318 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.485 -8.454 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.978 -9.345 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.354 -8.451 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.880 -7.592 1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.325 -10.256 2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -11.695 -11.343 2.521 1.00 0.00 H new ATOM 498 N ASN A 387 -8.556 -8.206 -1.637 1.00 0.00 N ATOM 499 CA ASN A 387 -7.125 -8.352 -1.432 1.00 0.00 C ATOM 500 C ASN A 387 -6.345 -7.160 -1.988 1.00 0.00 C ATOM 501 O ASN A 387 -5.268 -6.829 -1.492 1.00 0.00 O ATOM 502 CB ASN A 387 -6.634 -9.655 -2.068 1.00 0.00 C ATOM 503 CG ASN A 387 -6.986 -9.811 -3.542 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.660 -8.825 -4.119 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -6.646 -10.819 -4.159 1.00 0.00 N flip ATOM 0 H ASN A 387 -8.960 -8.890 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.945 -8.386 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.551 -9.712 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.055 -10.495 -1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.128 -11.558 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -6.882 -10.916 -5.147 1.00 0.00 H new ATOM 512 N GLU A 388 -6.889 -6.526 -3.022 1.00 0.00 N ATOM 513 CA GLU A 388 -6.244 -5.376 -3.650 1.00 0.00 C ATOM 514 C GLU A 388 -6.599 -4.084 -2.930 1.00 0.00 C ATOM 515 O GLU A 388 -5.963 -3.053 -3.149 1.00 0.00 O ATOM 516 CB GLU A 388 -6.638 -5.289 -5.125 1.00 0.00 C ATOM 517 CG GLU A 388 -6.191 -6.488 -5.945 1.00 0.00 C ATOM 518 CD GLU A 388 -6.571 -6.368 -7.407 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.128 -5.398 -8.057 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.309 -7.244 -7.904 1.00 0.00 O ATOM 0 H GLU A 388 -7.779 -6.790 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.165 -5.514 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.721 -5.193 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.208 -4.384 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.110 -6.597 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.636 -7.393 -5.531 1.00 0.00 H new ATOM 527 N CYS A 389 -7.612 -4.141 -2.070 1.00 0.00 N ATOM 528 CA CYS A 389 -8.032 -2.966 -1.321 1.00 0.00 C ATOM 529 C CYS A 389 -6.843 -2.423 -0.540 1.00 0.00 C ATOM 530 O CYS A 389 -6.494 -2.936 0.523 1.00 0.00 O ATOM 531 CB CYS A 389 -9.186 -3.317 -0.380 1.00 0.00 C ATOM 532 SG CYS A 389 -10.171 -1.885 0.163 1.00 0.00 S ATOM 0 H CYS A 389 -8.153 -4.984 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.387 -2.201 -2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.844 -4.027 -0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.783 -3.820 0.499 1.00 0.00 H new ATOM 537 N LYS A 390 -6.205 -1.405 -1.103 1.00 0.00 N ATOM 538 CA LYS A 390 -5.023 -0.804 -0.498 1.00 0.00 C ATOM 539 C LYS A 390 -5.349 -0.022 0.768 1.00 0.00 C ATOM 540 O LYS A 390 -6.507 0.299 1.039 1.00 0.00 O ATOM 541 CB LYS A 390 -4.317 0.079 -1.518 1.00 0.00 C ATOM 542 CG LYS A 390 -3.697 -0.713 -2.663 1.00 0.00 C ATOM 543 CD LYS A 390 -2.495 -1.520 -2.193 1.00 0.00 C ATOM 544 CE LYS A 390 -1.884 -2.327 -3.328 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.847 -3.315 -3.890 1.00 0.00 N ATOM 0 H LYS A 390 -6.489 -0.976 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.357 -1.612 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.030 0.797 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.538 0.653 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.443 -1.384 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.391 -0.030 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.744 -0.847 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.799 -2.192 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.555 -1.651 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.998 -2.849 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.401 -4.254 -3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.694 -3.355 -3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.118 -3.027 -4.852 1.00 0.00 H new ATOM 559 N SER A 391 -4.308 0.252 1.549 1.00 0.00 N ATOM 560 CA SER A 391 -4.446 0.969 2.814 1.00 0.00 C ATOM 561 C SER A 391 -5.174 2.306 2.649 1.00 0.00 C ATOM 562 O SER A 391 -6.144 2.566 3.360 1.00 0.00 O ATOM 563 CB SER A 391 -3.071 1.194 3.449 1.00 0.00 C ATOM 564 OG SER A 391 -3.184 1.879 4.685 1.00 0.00 O ATOM 0 H SER A 391 -3.349 -0.015 1.325 1.00 0.00 H new ATOM 0 HA SER A 391 -5.054 0.347 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.578 0.234 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.442 1.768 2.768 1.00 0.00 H new ATOM 0 HG SER A 391 -2.292 2.008 5.070 1.00 0.00 H new ATOM 570 N PRO A 392 -4.737 3.179 1.715 1.00 0.00 N ATOM 571 CA PRO A 392 -5.382 4.472 1.497 1.00 0.00 C ATOM 572 C PRO A 392 -6.864 4.314 1.184 1.00 0.00 C ATOM 573 O PRO A 392 -7.673 5.195 1.476 1.00 0.00 O ATOM 574 CB PRO A 392 -4.630 5.059 0.296 1.00 0.00 C ATOM 575 CG PRO A 392 -3.929 3.910 -0.330 1.00 0.00 C ATOM 576 CD PRO A 392 -3.601 2.992 0.799 1.00 0.00 C ATOM 0 HA PRO A 392 -5.338 5.109 2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.318 5.530 -0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -3.923 5.826 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.562 3.417 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.027 4.234 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.516 1.957 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.654 3.254 1.271 1.00 0.00 H new ATOM 584 N CYS A 393 -7.211 3.177 0.590 1.00 0.00 N ATOM 585 CA CYS A 393 -8.593 2.889 0.240 1.00 0.00 C ATOM 586 C CYS A 393 -9.434 2.680 1.495 1.00 0.00 C ATOM 587 O CYS A 393 -9.094 3.166 2.574 1.00 0.00 O ATOM 588 CB CYS A 393 -8.668 1.640 -0.644 1.00 0.00 C ATOM 589 SG CYS A 393 -7.600 1.692 -2.122 1.00 0.00 S ATOM 0 H CYS A 393 -6.551 2.440 0.341 1.00 0.00 H new ATOM 0 HA CYS A 393 -8.989 3.742 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.396 0.770 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.701 1.498 -0.963 1.00 0.00 H new ATOM 594 N LYS A 394 -10.525 1.942 1.345 1.00 0.00 N ATOM 595 CA LYS A 394 -11.417 1.646 2.460 1.00 0.00 C ATOM 596 C LYS A 394 -12.395 0.545 2.074 1.00 0.00 C ATOM 597 O LYS A 394 -13.159 0.682 1.117 1.00 0.00 O ATOM 598 CB LYS A 394 -12.167 2.909 2.892 1.00 0.00 C ATOM 599 CG LYS A 394 -13.026 2.719 4.132 1.00 0.00 C ATOM 600 CD LYS A 394 -13.612 4.037 4.623 1.00 0.00 C ATOM 601 CE LYS A 394 -14.674 4.579 3.678 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.108 4.981 2.359 1.00 0.00 N ATOM 0 H LYS A 394 -10.816 1.534 0.456 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.821 1.297 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.444 3.703 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.801 3.243 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.834 2.022 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.426 2.271 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.047 3.894 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.813 4.771 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.442 3.821 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.162 5.438 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.374 5.965 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.071 4.902 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.483 4.357 1.616 1.00 0.00 H new ATOM 616 N TRP A 395 -12.343 -0.557 2.812 1.00 0.00 N ATOM 617 CA TRP A 395 -13.199 -1.705 2.545 1.00 0.00 C ATOM 618 C TRP A 395 -14.641 -1.457 2.982 1.00 0.00 C ATOM 619 O TRP A 395 -14.892 -0.991 4.094 1.00 0.00 O ATOM 620 CB TRP A 395 -12.644 -2.941 3.258 1.00 0.00 C ATOM 621 CG TRP A 395 -13.309 -4.222 2.853 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.868 -5.151 3.681 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.471 -4.722 1.520 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.372 -6.196 2.946 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.139 -5.956 1.617 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.118 -4.244 0.254 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.461 -6.719 0.497 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.438 -5.002 -0.857 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.104 -6.227 -0.729 1.00 0.00 C ATOM 0 H TRP A 395 -11.713 -0.680 3.605 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.206 -1.870 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.576 -3.017 3.055 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.755 -2.809 4.334 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.908 -5.076 4.758 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.843 -7.017 3.327 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.605 -3.300 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.974 -7.665 0.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.170 -4.643 -1.840 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.341 -6.795 -1.616 1.00 0.00 H new ATOM 640 N HIS A 396 -15.585 -1.789 2.104 1.00 0.00 N ATOM 641 CA HIS A 396 -17.005 -1.623 2.404 1.00 0.00 C ATOM 642 C HIS A 396 -17.710 -2.973 2.450 1.00 0.00 C ATOM 643 O HIS A 396 -17.881 -3.632 1.421 1.00 0.00 O ATOM 644 CB HIS A 396 -17.680 -0.725 1.365 1.00 0.00 C ATOM 645 CG HIS A 396 -17.355 0.726 1.519 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.693 1.456 2.640 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.725 1.587 0.688 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.285 2.702 2.489 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.696 2.809 1.314 1.00 0.00 N ATOM 0 H HIS A 396 -15.392 -2.174 1.179 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.083 -1.150 3.383 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.382 -1.051 0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.760 -0.855 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.320 1.357 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.412 3.499 3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.286 3.661 0.932 1.00 0.00 H new ATOM 658 N ASN A 397 -18.123 -3.370 3.652 1.00 0.00 N ATOM 659 CA ASN A 397 -18.820 -4.635 3.853 1.00 0.00 C ATOM 660 C ASN A 397 -20.308 -4.482 3.543 1.00 0.00 C ATOM 661 O ASN A 397 -20.908 -3.452 3.849 1.00 0.00 O ATOM 662 CB ASN A 397 -18.629 -5.124 5.289 1.00 0.00 C ATOM 663 CG ASN A 397 -19.364 -6.420 5.564 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.106 -7.441 4.926 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.287 -6.386 6.517 1.00 0.00 N ATOM 0 H ASN A 397 -17.985 -2.829 4.505 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.397 -5.373 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.566 -5.265 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.980 -4.358 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.815 -7.228 6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.468 -5.518 7.021 1.00 0.00 H new ATOM 672 N ASP A 398 -20.892 -5.508 2.930 1.00 0.00 N ATOM 673 CA ASP A 398 -22.309 -5.484 2.571 1.00 0.00 C ATOM 674 C ASP A 398 -22.602 -4.309 1.642 1.00 0.00 C ATOM 675 O ASP A 398 -23.648 -3.666 1.738 1.00 0.00 O ATOM 676 CB ASP A 398 -23.178 -5.399 3.832 1.00 0.00 C ATOM 677 CG ASP A 398 -24.660 -5.522 3.528 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.071 -6.568 2.985 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.408 -4.569 3.832 1.00 0.00 O ATOM 0 H ASP A 398 -20.407 -6.367 2.671 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.550 -6.409 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.886 -6.189 4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.991 -4.450 4.334 1.00 0.00 H new ATOM 684 N ALA A 399 -21.664 -4.039 0.738 1.00 0.00 N ATOM 685 CA ALA A 399 -21.806 -2.950 -0.222 1.00 0.00 C ATOM 686 C ALA A 399 -22.683 -3.369 -1.393 1.00 0.00 C ATOM 687 O ALA A 399 -22.382 -3.062 -2.547 1.00 0.00 O ATOM 688 CB ALA A 399 -20.438 -2.525 -0.725 1.00 0.00 C ATOM 0 H ALA A 399 -20.793 -4.563 0.651 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.284 -2.109 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.550 -1.711 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.830 -2.188 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.950 -3.370 -1.210 1.00 0.00 H new ATOM 694 N GLU A 400 -23.751 -4.101 -1.085 1.00 0.00 N ATOM 695 CA GLU A 400 -24.673 -4.609 -2.097 1.00 0.00 C ATOM 696 C GLU A 400 -24.020 -5.756 -2.861 1.00 0.00 C ATOM 697 O GLU A 400 -24.695 -6.561 -3.502 1.00 0.00 O ATOM 698 CB GLU A 400 -25.105 -3.499 -3.062 1.00 0.00 C ATOM 699 CG GLU A 400 -25.829 -2.349 -2.380 1.00 0.00 C ATOM 700 CD GLU A 400 -26.258 -1.270 -3.356 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.041 -1.581 -4.278 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.811 -0.114 -3.197 1.00 0.00 O ATOM 0 H GLU A 400 -24.001 -4.358 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.567 -4.977 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.224 -3.111 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.756 -3.925 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.707 -2.734 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.177 -1.912 -1.624 1.00 0.00 H new ATOM 709 N ASN A 401 -22.695 -5.816 -2.768 1.00 0.00 N ATOM 710 CA ASN A 401 -21.906 -6.847 -3.420 1.00 0.00 C ATOM 711 C ASN A 401 -20.433 -6.674 -3.062 1.00 0.00 C ATOM 712 O ASN A 401 -19.547 -7.112 -3.797 1.00 0.00 O ATOM 713 CB ASN A 401 -22.099 -6.781 -4.936 1.00 0.00 C ATOM 714 CG ASN A 401 -21.660 -5.458 -5.547 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.249 -4.507 -4.711 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.697 -5.290 -6.766 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.140 -5.147 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 401 -22.240 -7.825 -3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.537 -7.591 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -23.151 -6.948 -5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.018 -6.043 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.407 -4.398 -7.167 1.00 0.00 H new ATOM 723 N LYS A 402 -20.193 -6.028 -1.916 1.00 0.00 N ATOM 724 CA LYS A 402 -18.841 -5.774 -1.422 1.00 0.00 C ATOM 725 C LYS A 402 -18.074 -4.870 -2.388 1.00 0.00 C ATOM 726 O LYS A 402 -18.088 -5.097 -3.597 1.00 0.00 O ATOM 727 CB LYS A 402 -18.087 -7.095 -1.236 1.00 0.00 C ATOM 728 CG LYS A 402 -18.901 -8.175 -0.530 1.00 0.00 C ATOM 729 CD LYS A 402 -19.401 -7.729 0.840 1.00 0.00 C ATOM 730 CE LYS A 402 -18.264 -7.557 1.839 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.403 -6.389 1.511 1.00 0.00 N ATOM 0 H LYS A 402 -20.930 -5.669 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.919 -5.269 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.778 -7.467 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.178 -6.906 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.753 -8.448 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.289 -9.070 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.940 -6.787 0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -20.111 -8.463 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.677 -7.433 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.656 -8.462 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.897 -6.080 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.714 -6.660 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.995 -5.610 1.158 1.00 0.00 H new ATOM 745 N LYS A 403 -17.402 -3.843 -1.864 1.00 0.00 N ATOM 746 CA LYS A 403 -16.646 -2.940 -2.732 1.00 0.00 C ATOM 747 C LYS A 403 -15.607 -2.119 -1.967 1.00 0.00 C ATOM 748 O LYS A 403 -15.849 -1.666 -0.850 1.00 0.00 O ATOM 749 CB LYS A 403 -17.587 -1.992 -3.482 1.00 0.00 C ATOM 750 CG LYS A 403 -18.187 -0.900 -2.609 1.00 0.00 C ATOM 751 CD LYS A 403 -19.003 0.099 -3.421 1.00 0.00 C ATOM 752 CE LYS A 403 -20.270 -0.521 -3.996 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.980 -1.528 -5.055 1.00 0.00 N ATOM 0 H LYS A 403 -17.365 -3.620 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.115 -3.573 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.040 -1.528 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.395 -2.574 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.822 -1.353 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.388 -0.375 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.270 0.946 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.391 0.489 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.836 -0.994 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.901 0.266 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.661 -1.419 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.016 -1.384 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.060 -2.485 -4.656 1.00 0.00 H new ATOM 767 N CYS A 404 -14.454 -1.915 -2.604 1.00 0.00 N ATOM 768 CA CYS A 404 -13.371 -1.126 -2.020 1.00 0.00 C ATOM 769 C CYS A 404 -13.358 0.271 -2.637 1.00 0.00 C ATOM 770 O CYS A 404 -13.527 0.419 -3.847 1.00 0.00 O ATOM 771 CB CYS A 404 -12.022 -1.811 -2.258 1.00 0.00 C ATOM 772 SG CYS A 404 -10.594 -0.908 -1.571 1.00 0.00 S ATOM 0 H CYS A 404 -14.246 -2.288 -3.530 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.537 -1.045 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.052 -2.809 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.876 -1.938 -3.331 1.00 0.00 H new ATOM 777 N THR A 405 -13.167 1.296 -1.809 1.00 0.00 N ATOM 778 CA THR A 405 -13.145 2.674 -2.301 1.00 0.00 C ATOM 779 C THR A 405 -12.140 3.531 -1.539 1.00 0.00 C ATOM 780 O THR A 405 -11.971 3.384 -0.329 1.00 0.00 O ATOM 781 CB THR A 405 -14.533 3.335 -2.203 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.946 3.405 -0.834 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.564 2.559 -3.010 1.00 0.00 C ATOM 0 H THR A 405 -13.026 1.202 -0.803 1.00 0.00 H new ATOM 0 HA THR A 405 -12.846 2.616 -3.348 1.00 0.00 H new ATOM 0 HB THR A 405 -14.460 4.342 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.240 4.317 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.535 3.046 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.262 2.533 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.634 1.541 -2.628 1.00 0.00 H new ATOM 791 N LEU A 406 -11.478 4.426 -2.266 1.00 0.00 N ATOM 792 CA LEU A 406 -10.486 5.317 -1.685 1.00 0.00 C ATOM 793 C LEU A 406 -11.132 6.294 -0.716 1.00 0.00 C ATOM 794 O LEU A 406 -12.257 6.748 -0.929 1.00 0.00 O ATOM 795 CB LEU A 406 -9.756 6.076 -2.794 1.00 0.00 C ATOM 796 CG LEU A 406 -8.481 6.816 -2.380 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.809 8.096 -1.629 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.593 5.911 -1.541 1.00 0.00 C ATOM 0 H LEU A 406 -11.615 4.552 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.767 4.716 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.501 5.368 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.447 6.800 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.939 7.092 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.884 8.600 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.400 8.752 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.379 7.855 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.691 6.451 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.131 5.602 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.320 5.030 -2.122 1.00 0.00 H new ATOM 810 N ASP A 407 -10.407 6.617 0.344 1.00 0.00 N ATOM 811 CA ASP A 407 -10.897 7.549 1.347 1.00 0.00 C ATOM 812 C ASP A 407 -9.906 8.690 1.536 1.00 0.00 C ATOM 813 O ASP A 407 -8.718 8.459 1.758 1.00 0.00 O ATOM 814 CB ASP A 407 -11.126 6.823 2.671 1.00 0.00 C ATOM 815 CG ASP A 407 -11.700 7.732 3.740 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.797 8.287 3.522 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.052 7.888 4.796 1.00 0.00 O ATOM 0 H ASP A 407 -9.475 6.246 0.532 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.845 7.965 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.804 5.985 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.182 6.407 3.021 1.00 0.00 H new ATOM 822 N LYS A 408 -10.397 9.919 1.436 1.00 0.00 N ATOM 823 CA LYS A 408 -9.546 11.092 1.588 1.00 0.00 C ATOM 824 C LYS A 408 -8.926 11.140 2.979 1.00 0.00 C ATOM 825 O LYS A 408 -7.735 11.408 3.125 1.00 0.00 O ATOM 826 CB LYS A 408 -10.339 12.371 1.317 1.00 0.00 C ATOM 827 CG LYS A 408 -11.537 12.557 2.234 1.00 0.00 C ATOM 828 CD LYS A 408 -12.284 13.842 1.919 1.00 0.00 C ATOM 829 CE LYS A 408 -13.499 14.012 2.817 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.497 12.925 2.616 1.00 0.00 N ATOM 0 H LYS A 408 -11.378 10.129 1.251 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.741 11.019 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.675 13.229 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.683 12.362 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.212 11.707 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.203 12.574 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.615 14.693 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.599 13.835 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.181 14.024 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.967 14.976 2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.393 13.188 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.656 12.783 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.140 12.043 3.037 1.00 0.00 H new ATOM 844 N GLU A 409 -9.739 10.875 3.999 1.00 0.00 N ATOM 845 CA GLU A 409 -9.266 10.888 5.376 1.00 0.00 C ATOM 846 C GLU A 409 -8.132 9.886 5.563 1.00 0.00 C ATOM 847 O GLU A 409 -7.126 10.185 6.208 1.00 0.00 O ATOM 848 CB GLU A 409 -10.416 10.569 6.333 1.00 0.00 C ATOM 849 CG GLU A 409 -10.018 10.619 7.798 1.00 0.00 C ATOM 850 CD GLU A 409 -11.171 10.302 8.731 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.286 10.039 8.233 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.960 10.317 9.963 1.00 0.00 O ATOM 0 H GLU A 409 -10.728 10.649 3.895 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.887 11.885 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.228 11.276 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.804 9.576 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.209 9.911 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.630 11.611 8.031 1.00 0.00 H new ATOM 859 N GLU A 410 -8.297 8.700 4.985 1.00 0.00 N ATOM 860 CA GLU A 410 -7.282 7.658 5.080 1.00 0.00 C ATOM 861 C GLU A 410 -6.010 8.095 4.367 1.00 0.00 C ATOM 862 O GLU A 410 -4.911 7.979 4.910 1.00 0.00 O ATOM 863 CB GLU A 410 -7.797 6.350 4.480 1.00 0.00 C ATOM 864 CG GLU A 410 -6.816 5.193 4.602 1.00 0.00 C ATOM 865 CD GLU A 410 -6.535 4.808 6.043 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.000 5.651 6.793 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.852 3.660 6.421 1.00 0.00 O ATOM 0 H GLU A 410 -9.123 8.438 4.447 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.057 7.492 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.730 6.077 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.028 6.510 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.214 4.328 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.880 5.464 4.114 1.00 0.00 H new ATOM 874 N ALA A 411 -6.171 8.609 3.150 1.00 0.00 N ATOM 875 CA ALA A 411 -5.039 9.078 2.362 1.00 0.00 C ATOM 876 C ALA A 411 -4.228 10.103 3.147 1.00 0.00 C ATOM 877 O ALA A 411 -2.998 10.100 3.109 1.00 0.00 O ATOM 878 CB ALA A 411 -5.523 9.680 1.050 1.00 0.00 C ATOM 0 H ALA A 411 -7.076 8.710 2.690 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.396 8.226 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.667 10.026 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.064 8.924 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.185 10.521 1.258 1.00 0.00 H new ATOM 884 N LYS A 412 -4.933 10.976 3.862 1.00 0.00 N ATOM 885 CA LYS A 412 -4.291 12.007 4.668 1.00 0.00 C ATOM 886 C LYS A 412 -3.465 11.381 5.785 1.00 0.00 C ATOM 887 O LYS A 412 -2.330 11.788 6.032 1.00 0.00 O ATOM 888 CB LYS A 412 -5.347 12.941 5.260 1.00 0.00 C ATOM 889 CG LYS A 412 -6.161 13.679 4.211 1.00 0.00 C ATOM 890 CD LYS A 412 -7.330 14.423 4.836 1.00 0.00 C ATOM 891 CE LYS A 412 -8.177 15.117 3.781 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.390 16.107 2.996 1.00 0.00 N ATOM 0 H LYS A 412 -5.952 10.989 3.899 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.624 12.582 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -6.022 12.361 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.856 13.669 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.520 14.384 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.533 12.969 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.949 13.724 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.956 15.160 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.598 14.372 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -9.015 15.620 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.036 16.697 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.845 16.710 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.738 15.606 2.360 1.00 0.00 H new