USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=13 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= 0.11 K(o=0.26,f=-2.7) USER MOD Set 1.2: A 405 THR OG1 : rot 130:sc= 0.151 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! C(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+ -115:sc= -1.14 (180deg=-4.89!) USER MOD Single : A 386 GLN :FLIP amide:sc= 0.6 F(o=0,f=0.6) USER MOD Single : A 387 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.019) USER MOD Single : A 390 LYS NZ :NH3+ -166:sc= -0.0502 (180deg=-0.314) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -168:sc= -0.0208 (180deg=-0.205) USER MOD Single : A 397 ASN : amide:sc= -0.587 K(o=-0.59,f=-2!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.603 F(o=-4.2!,f=-0.6) USER MOD Single : A 402 LYS NZ :NH3+ -169:sc= -1.81 (180deg=-1.94) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0452 (180deg=-0.333) USER MOD Single : A 412 LYS NZ :NH3+ 144:sc= -3.07! (180deg=-5.66!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.484 6.022 -3.305 1.00 0.00 N ATOM 340 CA GLU A 376 -4.076 5.875 -4.625 1.00 0.00 C ATOM 341 C GLU A 376 -5.196 6.890 -4.827 1.00 0.00 C ATOM 342 O GLU A 376 -5.125 8.016 -4.335 1.00 0.00 O ATOM 343 CB GLU A 376 -4.603 4.447 -4.792 1.00 0.00 C ATOM 344 CG GLU A 376 -3.565 3.376 -4.490 1.00 0.00 C ATOM 345 CD GLU A 376 -2.395 3.398 -5.455 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.677 4.419 -5.500 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.196 2.391 -6.167 1.00 0.00 O ATOM 0 HA GLU A 376 -3.314 6.063 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.461 4.306 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.960 4.317 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.194 3.513 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.041 2.396 -4.526 1.00 0.00 H new ATOM 354 N THR A 377 -6.226 6.485 -5.553 1.00 0.00 N ATOM 355 CA THR A 377 -7.360 7.351 -5.827 1.00 0.00 C ATOM 356 C THR A 377 -8.647 6.547 -5.848 1.00 0.00 C ATOM 357 O THR A 377 -8.625 5.338 -6.073 1.00 0.00 O ATOM 358 CB THR A 377 -7.193 8.086 -7.168 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.162 7.144 -8.248 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.909 8.903 -7.166 1.00 0.00 C ATOM 0 H THR A 377 -6.299 5.555 -5.965 1.00 0.00 H new ATOM 0 HA THR A 377 -7.407 8.093 -5.029 1.00 0.00 H new ATOM 0 HB THR A 377 -8.042 8.757 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.057 7.623 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.804 9.418 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.946 9.637 -6.361 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.057 8.241 -7.015 1.00 0.00 H new ATOM 368 N GLU A 378 -9.763 7.218 -5.587 1.00 0.00 N ATOM 369 CA GLU A 378 -11.058 6.556 -5.556 1.00 0.00 C ATOM 370 C GLU A 378 -11.223 5.635 -6.757 1.00 0.00 C ATOM 371 O GLU A 378 -11.734 4.524 -6.636 1.00 0.00 O ATOM 372 CB GLU A 378 -12.184 7.588 -5.531 1.00 0.00 C ATOM 373 CG GLU A 378 -13.565 6.973 -5.383 1.00 0.00 C ATOM 374 CD GLU A 378 -14.670 8.010 -5.403 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.667 8.897 -4.524 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.537 7.937 -6.299 1.00 0.00 O ATOM 0 H GLU A 378 -9.795 8.219 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.109 5.955 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.013 8.281 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.152 8.172 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.728 6.258 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.612 6.415 -4.448 1.00 0.00 H new ATOM 383 N GLY A 379 -10.783 6.108 -7.913 1.00 0.00 N ATOM 384 CA GLY A 379 -10.886 5.319 -9.124 1.00 0.00 C ATOM 385 C GLY A 379 -10.073 4.044 -9.069 1.00 0.00 C ATOM 386 O GLY A 379 -10.518 2.998 -9.542 1.00 0.00 O ATOM 0 H GLY A 379 -10.355 7.026 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.932 5.069 -9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.554 5.919 -9.971 1.00 0.00 H new ATOM 390 N SER A 380 -8.876 4.126 -8.500 1.00 0.00 N ATOM 391 CA SER A 380 -8.002 2.963 -8.401 1.00 0.00 C ATOM 392 C SER A 380 -8.558 1.920 -7.432 1.00 0.00 C ATOM 393 O SER A 380 -8.622 0.737 -7.754 1.00 0.00 O ATOM 394 CB SER A 380 -6.607 3.386 -7.959 1.00 0.00 C ATOM 395 OG SER A 380 -5.739 2.269 -7.862 1.00 0.00 O ATOM 0 H SER A 380 -8.490 4.982 -8.102 1.00 0.00 H new ATOM 0 HA SER A 380 -7.947 2.509 -9.390 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.200 4.105 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.665 3.889 -6.994 1.00 0.00 H new ATOM 0 HG SER A 380 -4.850 2.569 -7.578 1.00 0.00 H new ATOM 401 N CYS A 381 -8.944 2.368 -6.242 1.00 0.00 N ATOM 402 CA CYS A 381 -9.476 1.473 -5.215 1.00 0.00 C ATOM 403 C CYS A 381 -10.677 0.674 -5.715 1.00 0.00 C ATOM 404 O CYS A 381 -10.769 -0.531 -5.476 1.00 0.00 O ATOM 405 CB CYS A 381 -9.869 2.268 -3.972 1.00 0.00 C ATOM 406 SG CYS A 381 -8.483 3.151 -3.186 1.00 0.00 S ATOM 0 H CYS A 381 -8.899 3.348 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.686 0.765 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.639 2.990 -4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.313 1.588 -3.244 1.00 0.00 H new ATOM 411 N ASN A 382 -11.598 1.346 -6.396 1.00 0.00 N ATOM 412 CA ASN A 382 -12.796 0.689 -6.914 1.00 0.00 C ATOM 413 C ASN A 382 -12.436 -0.526 -7.760 1.00 0.00 C ATOM 414 O ASN A 382 -13.208 -1.482 -7.852 1.00 0.00 O ATOM 415 CB ASN A 382 -13.631 1.665 -7.747 1.00 0.00 C ATOM 416 CG ASN A 382 -14.032 2.910 -6.980 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.631 2.992 -5.718 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.698 3.793 -7.520 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.540 2.343 -6.603 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.383 0.356 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.063 1.957 -8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.529 1.157 -8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.986 3.691 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.961 4.627 -6.994 1.00 0.00 H new ATOM 425 N LYS A 383 -11.266 -0.478 -8.384 1.00 0.00 N ATOM 426 CA LYS A 383 -10.808 -1.568 -9.230 1.00 0.00 C ATOM 427 C LYS A 383 -10.211 -2.689 -8.388 1.00 0.00 C ATOM 428 O LYS A 383 -10.379 -3.870 -8.692 1.00 0.00 O ATOM 429 CB LYS A 383 -9.775 -1.047 -10.229 1.00 0.00 C ATOM 430 CG LYS A 383 -10.188 0.253 -10.904 1.00 0.00 C ATOM 431 CD LYS A 383 -11.522 0.117 -11.620 1.00 0.00 C ATOM 432 CE LYS A 383 -11.871 1.381 -12.390 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.169 1.253 -13.106 1.00 0.00 N ATOM 0 H LYS A 383 -10.617 0.306 -8.319 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.662 -1.971 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.827 -0.895 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.604 -1.806 -10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.255 1.045 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.421 0.552 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.484 -0.729 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.306 -0.096 -10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.918 2.225 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.080 1.599 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.371 2.135 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.116 0.464 -13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.928 1.070 -12.419 1.00 0.00 H new ATOM 447 N LYS A 384 -9.506 -2.303 -7.331 1.00 0.00 N ATOM 448 CA LYS A 384 -8.868 -3.254 -6.436 1.00 0.00 C ATOM 449 C LYS A 384 -9.898 -4.064 -5.655 1.00 0.00 C ATOM 450 O LYS A 384 -10.815 -3.502 -5.058 1.00 0.00 O ATOM 451 CB LYS A 384 -7.946 -2.502 -5.477 1.00 0.00 C ATOM 452 CG LYS A 384 -6.612 -2.079 -6.084 1.00 0.00 C ATOM 453 CD LYS A 384 -6.762 -1.457 -7.464 1.00 0.00 C ATOM 454 CE LYS A 384 -6.529 -2.476 -8.571 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.676 -1.871 -9.923 1.00 0.00 N ATOM 0 H LYS A 384 -9.362 -1.327 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.286 -3.956 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.465 -1.614 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.752 -3.133 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.126 -1.364 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.957 -2.948 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.761 -1.033 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.054 -0.635 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.530 -2.900 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.236 -3.298 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.491 -2.298 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.827 -0.846 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.813 -2.045 -10.477 1.00 0.00 H new ATOM 469 N ASP A 385 -9.740 -5.387 -5.658 1.00 0.00 N ATOM 470 CA ASP A 385 -10.660 -6.261 -4.940 1.00 0.00 C ATOM 471 C ASP A 385 -10.418 -6.163 -3.442 1.00 0.00 C ATOM 472 O ASP A 385 -9.719 -5.266 -2.973 1.00 0.00 O ATOM 473 CB ASP A 385 -10.497 -7.715 -5.396 1.00 0.00 C ATOM 474 CG ASP A 385 -11.693 -8.584 -5.053 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.715 -8.036 -4.585 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.614 -9.811 -5.267 1.00 0.00 O ATOM 0 H ASP A 385 -8.988 -5.872 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.677 -5.938 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.338 -7.736 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -9.604 -8.137 -4.934 1.00 0.00 H new ATOM 481 N GLN A 386 -10.985 -7.098 -2.699 1.00 0.00 N ATOM 482 CA GLN A 386 -10.830 -7.122 -1.249 1.00 0.00 C ATOM 483 C GLN A 386 -9.359 -7.212 -0.865 1.00 0.00 C ATOM 484 O GLN A 386 -8.866 -6.423 -0.059 1.00 0.00 O ATOM 485 CB GLN A 386 -11.602 -8.300 -0.651 1.00 0.00 C ATOM 486 CG GLN A 386 -11.571 -8.336 0.869 1.00 0.00 C ATOM 487 CD GLN A 386 -12.348 -9.507 1.440 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.662 -10.362 2.189 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -13.550 -9.640 1.210 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.559 -7.853 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.236 -6.193 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.639 -8.252 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.186 -9.231 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.536 -8.392 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.984 -7.406 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.037 -8.958 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.059 -10.432 1.601 1.00 0.00 H new ATOM 498 N ASN A 387 -8.661 -8.173 -1.458 1.00 0.00 N ATOM 499 CA ASN A 387 -7.247 -8.369 -1.193 1.00 0.00 C ATOM 500 C ASN A 387 -6.420 -7.223 -1.766 1.00 0.00 C ATOM 501 O ASN A 387 -5.313 -6.951 -1.301 1.00 0.00 O ATOM 502 CB ASN A 387 -6.787 -9.699 -1.788 1.00 0.00 C ATOM 503 CG ASN A 387 -5.301 -9.922 -1.624 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.789 -9.985 -0.508 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.602 -10.040 -2.743 1.00 0.00 N ATOM 0 H ASN A 387 -9.057 -8.831 -2.129 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.098 -8.387 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.329 -10.515 -1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.041 -9.727 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.594 -10.190 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.072 -9.981 -3.646 1.00 0.00 H new ATOM 512 N GLU A 388 -6.962 -6.556 -2.782 1.00 0.00 N ATOM 513 CA GLU A 388 -6.269 -5.445 -3.423 1.00 0.00 C ATOM 514 C GLU A 388 -6.630 -4.118 -2.770 1.00 0.00 C ATOM 515 O GLU A 388 -6.008 -3.093 -3.052 1.00 0.00 O ATOM 516 CB GLU A 388 -6.591 -5.409 -4.917 1.00 0.00 C ATOM 517 CG GLU A 388 -6.149 -6.656 -5.665 1.00 0.00 C ATOM 518 CD GLU A 388 -6.428 -6.575 -7.153 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.610 -6.436 -7.529 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.463 -6.648 -7.942 1.00 0.00 O ATOM 0 H GLU A 388 -7.878 -6.766 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.197 -5.600 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.666 -5.280 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.110 -4.538 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.082 -6.810 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.661 -7.524 -5.250 1.00 0.00 H new ATOM 527 N CYS A 389 -7.630 -4.139 -1.895 1.00 0.00 N ATOM 528 CA CYS A 389 -8.053 -2.926 -1.209 1.00 0.00 C ATOM 529 C CYS A 389 -6.878 -2.357 -0.420 1.00 0.00 C ATOM 530 O CYS A 389 -6.540 -2.848 0.657 1.00 0.00 O ATOM 531 CB CYS A 389 -9.233 -3.221 -0.280 1.00 0.00 C ATOM 532 SG CYS A 389 -10.212 -1.750 0.164 1.00 0.00 S ATOM 0 H CYS A 389 -8.158 -4.976 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.379 -2.191 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.887 -3.949 -0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.857 -3.684 0.633 1.00 0.00 H new ATOM 537 N LYS A 390 -6.239 -1.341 -0.987 1.00 0.00 N ATOM 538 CA LYS A 390 -5.074 -0.718 -0.372 1.00 0.00 C ATOM 539 C LYS A 390 -5.436 0.093 0.870 1.00 0.00 C ATOM 540 O LYS A 390 -6.601 0.413 1.102 1.00 0.00 O ATOM 541 CB LYS A 390 -4.348 0.140 -1.398 1.00 0.00 C ATOM 542 CG LYS A 390 -3.805 -0.677 -2.563 1.00 0.00 C ATOM 543 CD LYS A 390 -3.078 0.195 -3.571 1.00 0.00 C ATOM 544 CE LYS A 390 -2.528 -0.631 -4.723 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.574 -1.674 -4.253 1.00 0.00 N ATOM 0 H LYS A 390 -6.511 -0.928 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.408 -1.513 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.030 0.900 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.525 0.664 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.125 -1.441 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.626 -1.197 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.759 0.953 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.262 0.722 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.352 -1.106 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.027 0.026 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.046 -2.053 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.908 -1.255 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.100 -2.444 -3.793 1.00 0.00 H new ATOM 559 N SER A 391 -4.420 0.389 1.680 1.00 0.00 N ATOM 560 CA SER A 391 -4.606 1.128 2.927 1.00 0.00 C ATOM 561 C SER A 391 -5.394 2.427 2.728 1.00 0.00 C ATOM 562 O SER A 391 -6.439 2.604 3.355 1.00 0.00 O ATOM 563 CB SER A 391 -3.254 1.421 3.586 1.00 0.00 C ATOM 564 OG SER A 391 -3.423 2.130 4.801 1.00 0.00 O ATOM 0 H SER A 391 -3.453 0.126 1.492 1.00 0.00 H new ATOM 0 HA SER A 391 -5.197 0.492 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.729 0.485 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.632 2.002 2.905 1.00 0.00 H new ATOM 0 HG SER A 391 -2.546 2.304 5.203 1.00 0.00 H new ATOM 570 N PRO A 392 -4.927 3.364 1.868 1.00 0.00 N ATOM 571 CA PRO A 392 -5.636 4.615 1.650 1.00 0.00 C ATOM 572 C PRO A 392 -7.108 4.382 1.348 1.00 0.00 C ATOM 573 O PRO A 392 -7.961 5.202 1.688 1.00 0.00 O ATOM 574 CB PRO A 392 -4.945 5.244 0.444 1.00 0.00 C ATOM 575 CG PRO A 392 -3.645 4.555 0.277 1.00 0.00 C ATOM 576 CD PRO A 392 -3.690 3.281 1.069 1.00 0.00 C ATOM 0 HA PRO A 392 -5.607 5.249 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.557 5.134 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.797 6.313 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.459 4.343 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -2.830 5.190 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.703 2.410 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.813 3.185 1.710 1.00 0.00 H new ATOM 584 N CYS A 393 -7.396 3.257 0.703 1.00 0.00 N ATOM 585 CA CYS A 393 -8.763 2.907 0.348 1.00 0.00 C ATOM 586 C CYS A 393 -9.597 2.636 1.597 1.00 0.00 C ATOM 587 O CYS A 393 -9.264 3.086 2.694 1.00 0.00 O ATOM 588 CB CYS A 393 -8.772 1.669 -0.551 1.00 0.00 C ATOM 589 SG CYS A 393 -7.641 1.759 -1.977 1.00 0.00 S ATOM 0 H CYS A 393 -6.698 2.571 0.415 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.200 3.749 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.510 0.798 0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.786 1.510 -0.918 1.00 0.00 H new ATOM 594 N LYS A 394 -10.675 1.886 1.418 1.00 0.00 N ATOM 595 CA LYS A 394 -11.561 1.530 2.520 1.00 0.00 C ATOM 596 C LYS A 394 -12.505 0.418 2.093 1.00 0.00 C ATOM 597 O LYS A 394 -13.278 0.572 1.147 1.00 0.00 O ATOM 598 CB LYS A 394 -12.359 2.751 2.987 1.00 0.00 C ATOM 599 CG LYS A 394 -13.269 2.465 4.173 1.00 0.00 C ATOM 600 CD LYS A 394 -14.048 3.699 4.598 1.00 0.00 C ATOM 601 CE LYS A 394 -13.124 4.813 5.055 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.325 4.421 6.249 1.00 0.00 N ATOM 0 H LYS A 394 -10.960 1.509 0.514 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.953 1.177 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.665 3.547 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.962 3.120 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.965 1.668 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.672 2.106 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.658 4.050 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.732 3.438 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.451 5.083 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.713 5.700 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.864 5.263 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.952 3.997 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.600 3.729 5.970 1.00 0.00 H new ATOM 616 N TRP A 395 -12.427 -0.709 2.790 1.00 0.00 N ATOM 617 CA TRP A 395 -13.264 -1.854 2.475 1.00 0.00 C ATOM 618 C TRP A 395 -14.692 -1.643 2.966 1.00 0.00 C ATOM 619 O TRP A 395 -14.920 -1.379 4.147 1.00 0.00 O ATOM 620 CB TRP A 395 -12.681 -3.123 3.099 1.00 0.00 C ATOM 621 CG TRP A 395 -13.415 -4.369 2.709 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.981 -5.282 3.549 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.655 -4.843 1.378 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.564 -6.293 2.824 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.375 -6.047 1.489 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.332 -4.367 0.102 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.777 -6.780 0.376 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.732 -5.096 -1.002 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.448 -6.290 -0.859 1.00 0.00 C ATOM 0 H TRP A 395 -11.793 -0.852 3.576 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.288 -1.965 1.391 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.636 -3.218 2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.697 -3.026 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.972 -5.219 4.627 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.057 -7.096 3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.780 -3.446 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.329 -7.702 0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.488 -4.738 -1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.747 -6.836 -1.741 1.00 0.00 H new ATOM 640 N HIS A 396 -15.652 -1.773 2.055 1.00 0.00 N ATOM 641 CA HIS A 396 -17.057 -1.606 2.405 1.00 0.00 C ATOM 642 C HIS A 396 -17.780 -2.948 2.409 1.00 0.00 C ATOM 643 O HIS A 396 -17.891 -3.611 1.373 1.00 0.00 O ATOM 644 CB HIS A 396 -17.742 -0.642 1.436 1.00 0.00 C ATOM 645 CG HIS A 396 -17.242 0.765 1.549 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.345 1.507 2.707 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.632 1.566 0.644 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.821 2.703 2.510 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.381 2.764 1.266 1.00 0.00 N ATOM 0 H HIS A 396 -15.483 -1.993 1.073 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.105 -1.186 3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.589 -0.994 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.816 -0.655 1.620 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.388 1.310 -0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.762 3.496 3.241 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.928 3.571 0.837 1.00 0.00 H new ATOM 658 N ASN A 397 -18.269 -3.336 3.584 1.00 0.00 N ATOM 659 CA ASN A 397 -18.987 -4.594 3.748 1.00 0.00 C ATOM 660 C ASN A 397 -20.459 -4.432 3.386 1.00 0.00 C ATOM 661 O ASN A 397 -21.057 -3.383 3.632 1.00 0.00 O ATOM 662 CB ASN A 397 -18.852 -5.102 5.186 1.00 0.00 C ATOM 663 CG ASN A 397 -19.362 -4.103 6.209 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.539 -3.744 6.212 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.473 -3.649 7.086 1.00 0.00 N ATOM 0 H ASN A 397 -18.179 -2.791 4.442 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.545 -5.326 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.403 -6.037 5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.805 -5.325 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.757 -2.976 7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.507 -3.974 7.047 1.00 0.00 H new ATOM 672 N ASP A 398 -21.033 -5.474 2.794 1.00 0.00 N ATOM 673 CA ASP A 398 -22.435 -5.454 2.388 1.00 0.00 C ATOM 674 C ASP A 398 -22.692 -4.285 1.440 1.00 0.00 C ATOM 675 O ASP A 398 -23.744 -3.649 1.478 1.00 0.00 O ATOM 676 CB ASP A 398 -23.343 -5.357 3.621 1.00 0.00 C ATOM 677 CG ASP A 398 -24.778 -5.763 3.329 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.430 -5.102 2.495 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.248 -6.748 3.937 1.00 0.00 O ATOM 0 H ASP A 398 -20.548 -6.346 2.584 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.663 -6.382 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.944 -5.993 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.329 -4.334 3.997 1.00 0.00 H new ATOM 684 N ALA A 399 -21.712 -4.014 0.584 1.00 0.00 N ATOM 685 CA ALA A 399 -21.813 -2.931 -0.389 1.00 0.00 C ATOM 686 C ALA A 399 -22.578 -3.391 -1.621 1.00 0.00 C ATOM 687 O ALA A 399 -22.157 -3.145 -2.752 1.00 0.00 O ATOM 688 CB ALA A 399 -20.426 -2.458 -0.779 1.00 0.00 C ATOM 0 H ALA A 399 -20.834 -4.532 0.544 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.357 -2.102 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.508 -1.650 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.902 -2.098 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.870 -3.286 -1.219 1.00 0.00 H new ATOM 694 N GLU A 400 -23.683 -4.096 -1.383 1.00 0.00 N ATOM 695 CA GLU A 400 -24.513 -4.648 -2.454 1.00 0.00 C ATOM 696 C GLU A 400 -23.827 -5.871 -3.045 1.00 0.00 C ATOM 697 O GLU A 400 -24.470 -6.752 -3.616 1.00 0.00 O ATOM 698 CB GLU A 400 -24.787 -3.608 -3.545 1.00 0.00 C ATOM 699 CG GLU A 400 -25.517 -2.374 -3.039 1.00 0.00 C ATOM 700 CD GLU A 400 -26.867 -2.704 -2.434 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.724 -3.253 -3.159 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.067 -2.416 -1.235 1.00 0.00 O ATOM 0 H GLU A 400 -24.028 -4.301 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.475 -4.937 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.840 -3.303 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.377 -4.070 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.901 -1.872 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.653 -1.673 -3.863 1.00 0.00 H new ATOM 709 N ASN A 401 -22.508 -5.909 -2.882 1.00 0.00 N ATOM 710 CA ASN A 401 -21.684 -7.001 -3.365 1.00 0.00 C ATOM 711 C ASN A 401 -20.228 -6.744 -2.994 1.00 0.00 C ATOM 712 O ASN A 401 -19.311 -7.178 -3.691 1.00 0.00 O ATOM 713 CB ASN A 401 -21.833 -7.151 -4.881 1.00 0.00 C ATOM 714 CG ASN A 401 -21.403 -5.912 -5.656 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.045 -4.845 -4.947 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.403 -5.913 -6.887 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.982 -5.176 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 401 -22.011 -7.930 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.241 -8.003 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.874 -7.375 -5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.684 -6.751 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.122 -5.076 -7.398 1.00 0.00 H new ATOM 723 N LYS A 402 -20.035 -6.022 -1.885 1.00 0.00 N ATOM 724 CA LYS A 402 -18.701 -5.679 -1.394 1.00 0.00 C ATOM 725 C LYS A 402 -17.968 -4.789 -2.394 1.00 0.00 C ATOM 726 O LYS A 402 -17.955 -5.071 -3.591 1.00 0.00 O ATOM 727 CB LYS A 402 -17.881 -6.945 -1.117 1.00 0.00 C ATOM 728 CG LYS A 402 -18.387 -7.774 0.058 1.00 0.00 C ATOM 729 CD LYS A 402 -19.738 -8.410 -0.230 1.00 0.00 C ATOM 730 CE LYS A 402 -20.214 -9.266 0.933 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.386 -8.467 2.179 1.00 0.00 N ATOM 0 H LYS A 402 -20.795 -5.662 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.819 -5.129 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.881 -7.567 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.846 -6.660 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.662 -8.554 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.466 -7.140 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.472 -7.630 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.668 -9.023 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -21.161 -9.739 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.496 -10.067 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.528 -9.108 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.536 -7.890 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -21.214 -7.845 2.081 1.00 0.00 H new ATOM 745 N LYS A 403 -17.352 -3.710 -1.907 1.00 0.00 N ATOM 746 CA LYS A 403 -16.628 -2.807 -2.799 1.00 0.00 C ATOM 747 C LYS A 403 -15.592 -1.966 -2.056 1.00 0.00 C ATOM 748 O LYS A 403 -15.854 -1.447 -0.971 1.00 0.00 O ATOM 749 CB LYS A 403 -17.601 -1.886 -3.544 1.00 0.00 C ATOM 750 CG LYS A 403 -18.235 -0.818 -2.666 1.00 0.00 C ATOM 751 CD LYS A 403 -19.251 0.013 -3.436 1.00 0.00 C ATOM 752 CE LYS A 403 -20.404 -0.840 -3.944 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.400 -0.034 -4.703 1.00 0.00 N ATOM 0 H LYS A 403 -17.340 -3.445 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.098 -3.433 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.071 -1.401 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.390 -2.492 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.723 -1.290 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.458 -0.166 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.638 0.803 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.760 0.500 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.015 -1.632 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.896 -1.324 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.169 -0.652 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.791 0.706 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.937 0.408 -5.523 1.00 0.00 H new ATOM 767 N CYS A 404 -14.416 -1.829 -2.666 1.00 0.00 N ATOM 768 CA CYS A 404 -13.330 -1.040 -2.091 1.00 0.00 C ATOM 769 C CYS A 404 -13.291 0.350 -2.723 1.00 0.00 C ATOM 770 O CYS A 404 -13.431 0.487 -3.939 1.00 0.00 O ATOM 771 CB CYS A 404 -11.988 -1.744 -2.309 1.00 0.00 C ATOM 772 SG CYS A 404 -10.556 -0.849 -1.626 1.00 0.00 S ATOM 0 H CYS A 404 -14.191 -2.257 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.508 -0.938 -1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.032 -2.735 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.836 -1.888 -3.379 1.00 0.00 H new ATOM 777 N THR A 405 -13.105 1.380 -1.901 1.00 0.00 N ATOM 778 CA THR A 405 -13.054 2.754 -2.399 1.00 0.00 C ATOM 779 C THR A 405 -12.071 3.606 -1.597 1.00 0.00 C ATOM 780 O THR A 405 -11.925 3.435 -0.387 1.00 0.00 O ATOM 781 CB THR A 405 -14.443 3.421 -2.363 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.918 3.495 -1.014 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.437 2.644 -3.213 1.00 0.00 C ATOM 0 H THR A 405 -12.987 1.291 -0.892 1.00 0.00 H new ATOM 0 HA THR A 405 -12.713 2.695 -3.433 1.00 0.00 H new ATOM 0 HB THR A 405 -14.348 4.428 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.217 4.408 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.410 3.133 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.088 2.615 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.526 1.627 -2.831 1.00 0.00 H new ATOM 791 N LEU A 406 -11.396 4.521 -2.292 1.00 0.00 N ATOM 792 CA LEU A 406 -10.417 5.404 -1.671 1.00 0.00 C ATOM 793 C LEU A 406 -11.089 6.353 -0.686 1.00 0.00 C ATOM 794 O LEU A 406 -12.207 6.815 -0.911 1.00 0.00 O ATOM 795 CB LEU A 406 -9.663 6.185 -2.749 1.00 0.00 C ATOM 796 CG LEU A 406 -8.372 6.882 -2.308 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.676 8.124 -1.491 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.480 5.923 -1.532 1.00 0.00 C ATOM 0 H LEU A 406 -11.513 4.668 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.704 4.797 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.421 5.499 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.336 6.939 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.834 7.195 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.742 8.600 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.261 8.820 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.243 7.845 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.569 6.439 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.009 5.570 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.223 5.073 -2.164 1.00 0.00 H new ATOM 810 N ASP A 407 -10.389 6.637 0.402 1.00 0.00 N ATOM 811 CA ASP A 407 -10.898 7.532 1.434 1.00 0.00 C ATOM 812 C ASP A 407 -9.921 8.676 1.686 1.00 0.00 C ATOM 813 O ASP A 407 -8.717 8.458 1.813 1.00 0.00 O ATOM 814 CB ASP A 407 -11.148 6.761 2.732 1.00 0.00 C ATOM 815 CG ASP A 407 -11.728 7.637 3.824 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.810 8.219 3.605 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.100 7.738 4.899 1.00 0.00 O ATOM 0 H ASP A 407 -9.462 6.259 0.595 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.841 7.952 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.829 5.934 2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.211 6.326 3.079 1.00 0.00 H new ATOM 822 N LYS A 408 -10.446 9.895 1.746 1.00 0.00 N ATOM 823 CA LYS A 408 -9.624 11.080 1.971 1.00 0.00 C ATOM 824 C LYS A 408 -8.982 11.066 3.356 1.00 0.00 C ATOM 825 O LYS A 408 -7.808 11.402 3.508 1.00 0.00 O ATOM 826 CB LYS A 408 -10.468 12.345 1.808 1.00 0.00 C ATOM 827 CG LYS A 408 -11.059 12.509 0.418 1.00 0.00 C ATOM 828 CD LYS A 408 -11.931 13.750 0.327 1.00 0.00 C ATOM 829 CE LYS A 408 -12.470 13.951 -1.079 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.374 14.127 -2.072 1.00 0.00 N ATOM 0 H LYS A 408 -11.442 10.089 1.641 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.826 11.073 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.277 12.328 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.852 13.215 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.255 12.573 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.650 11.628 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.762 13.664 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.353 14.625 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.081 13.093 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.121 14.825 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.765 14.509 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -10.665 14.787 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.925 13.208 -2.260 1.00 0.00 H new ATOM 844 N GLU A 409 -9.765 10.693 4.362 1.00 0.00 N ATOM 845 CA GLU A 409 -9.285 10.653 5.740 1.00 0.00 C ATOM 846 C GLU A 409 -8.101 9.695 5.885 1.00 0.00 C ATOM 847 O GLU A 409 -7.047 10.064 6.402 1.00 0.00 O ATOM 848 CB GLU A 409 -10.426 10.218 6.669 1.00 0.00 C ATOM 849 CG GLU A 409 -10.384 10.839 8.061 1.00 0.00 C ATOM 850 CD GLU A 409 -9.124 10.505 8.835 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.047 11.019 8.471 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.215 9.729 9.810 1.00 0.00 O ATOM 0 H GLU A 409 -10.739 10.413 4.249 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.947 11.652 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.376 10.474 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.402 9.133 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.468 11.922 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.250 10.499 8.628 1.00 0.00 H new ATOM 859 N GLU A 410 -8.280 8.461 5.430 1.00 0.00 N ATOM 860 CA GLU A 410 -7.227 7.454 5.522 1.00 0.00 C ATOM 861 C GLU A 410 -6.034 7.799 4.633 1.00 0.00 C ATOM 862 O GLU A 410 -4.883 7.658 5.048 1.00 0.00 O ATOM 863 CB GLU A 410 -7.775 6.076 5.147 1.00 0.00 C ATOM 864 CG GLU A 410 -6.742 4.962 5.234 1.00 0.00 C ATOM 865 CD GLU A 410 -6.214 4.757 6.643 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.595 5.693 7.191 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.418 3.657 7.198 1.00 0.00 O ATOM 0 H GLU A 410 -9.142 8.133 4.994 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.881 7.437 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.611 5.836 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.169 6.116 4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.186 4.032 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.910 5.192 4.569 1.00 0.00 H new ATOM 874 N ALA A 411 -6.311 8.234 3.409 1.00 0.00 N ATOM 875 CA ALA A 411 -5.256 8.580 2.461 1.00 0.00 C ATOM 876 C ALA A 411 -4.333 9.667 3.006 1.00 0.00 C ATOM 877 O ALA A 411 -3.110 9.541 2.939 1.00 0.00 O ATOM 878 CB ALA A 411 -5.860 9.020 1.137 1.00 0.00 C ATOM 0 H ALA A 411 -7.257 8.356 3.049 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.653 7.686 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.062 9.275 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.458 8.209 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.493 9.892 1.298 1.00 0.00 H new ATOM 884 N LYS A 412 -4.918 10.737 3.536 1.00 0.00 N ATOM 885 CA LYS A 412 -4.132 11.841 4.077 1.00 0.00 C ATOM 886 C LYS A 412 -3.267 11.375 5.247 1.00 0.00 C ATOM 887 O LYS A 412 -2.112 11.781 5.372 1.00 0.00 O ATOM 888 CB LYS A 412 -5.042 12.993 4.511 1.00 0.00 C ATOM 889 CG LYS A 412 -6.000 12.630 5.633 1.00 0.00 C ATOM 890 CD LYS A 412 -6.939 13.778 5.981 1.00 0.00 C ATOM 891 CE LYS A 412 -6.208 14.945 6.630 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.289 15.636 5.682 1.00 0.00 N ATOM 0 H LYS A 412 -5.928 10.863 3.602 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.472 12.201 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.423 13.831 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.618 13.333 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.586 11.759 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.430 12.348 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.439 14.123 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.715 13.418 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.937 15.660 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.638 14.583 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.291 16.657 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.325 15.263 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.608 15.471 4.706 1.00 0.00 H new