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=-0.00284 X(o=0.096,f=0.014) USER MOD Set 1.2: A 405 THR OG1 : rot 21:sc= 0.0991 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.00382 USER MOD Set 2.2: A 380 SER OG : rot 82:sc= 0.00373 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.31 F(o=-5.2!,f=-1.3) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -116:sc= -0.198 (180deg=-2.76!) USER MOD Single : A 386 GLN : amide:sc= -2.41! C(o=-2.4!,f=-2.4!) USER MOD Single : A 387 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.048) USER MOD Single : A 390 LYS NZ :NH3+ -166:sc= -0.0408 (180deg=-0.25) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 141:sc= -3.95! (180deg=-6.16!) USER MOD Single : A 397 ASN : amide:sc= -1.65 K(o=-1.6,f=-6.9!) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.352 F(o=-0.57,f=0.35) USER MOD Single : A 402 LYS NZ :NH3+ 167:sc= -0.0395 (180deg=-0.219) USER MOD Single : A 403 LYS NZ :NH3+ 168:sc=-0.00166 (180deg=-0.178) USER MOD Single : A 408 LYS NZ :NH3+ -166:sc= -0.0427 (180deg=-0.237) USER MOD Single : A 412 LYS NZ :NH3+ -148:sc= -3.95! (180deg=-5.61!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.213 5.533 -3.712 1.00 0.00 N ATOM 340 CA GLU A 376 -3.840 5.423 -5.022 1.00 0.00 C ATOM 341 C GLU A 376 -4.886 6.518 -5.217 1.00 0.00 C ATOM 342 O GLU A 376 -4.756 7.615 -4.675 1.00 0.00 O ATOM 343 CB GLU A 376 -4.467 4.034 -5.179 1.00 0.00 C ATOM 344 CG GLU A 376 -3.473 2.899 -5.008 1.00 0.00 C ATOM 345 CD GLU A 376 -4.094 1.537 -5.254 1.00 0.00 C ATOM 346 OE1 GLU A 376 -5.318 1.476 -5.495 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.355 0.531 -5.204 1.00 0.00 O ATOM 0 HA GLU A 376 -3.078 5.554 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.266 3.920 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.925 3.960 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.640 3.044 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.062 2.930 -3.999 1.00 0.00 H new ATOM 354 N THR A 377 -5.916 6.223 -6.000 1.00 0.00 N ATOM 355 CA THR A 377 -6.968 7.189 -6.271 1.00 0.00 C ATOM 356 C THR A 377 -8.327 6.510 -6.338 1.00 0.00 C ATOM 357 O THR A 377 -8.413 5.296 -6.521 1.00 0.00 O ATOM 358 CB THR A 377 -6.704 7.940 -7.588 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.761 7.028 -8.692 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.339 8.612 -7.552 1.00 0.00 C ATOM 0 H THR A 377 -6.044 5.321 -6.458 1.00 0.00 H new ATOM 0 HA THR A 377 -6.970 7.906 -5.450 1.00 0.00 H new ATOM 0 HB THR A 377 -7.471 8.704 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.594 7.514 -9.527 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.168 9.139 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.305 9.322 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.565 7.857 -7.413 1.00 0.00 H new ATOM 368 N GLU A 378 -9.383 7.300 -6.170 1.00 0.00 N ATOM 369 CA GLU A 378 -10.746 6.781 -6.191 1.00 0.00 C ATOM 370 C GLU A 378 -10.955 5.840 -7.367 1.00 0.00 C ATOM 371 O GLU A 378 -11.588 4.795 -7.235 1.00 0.00 O ATOM 372 CB GLU A 378 -11.748 7.933 -6.257 1.00 0.00 C ATOM 373 CG GLU A 378 -13.200 7.488 -6.166 1.00 0.00 C ATOM 374 CD GLU A 378 -14.172 8.650 -6.224 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.100 9.530 -5.340 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.007 8.680 -7.152 1.00 0.00 O ATOM 0 H GLU A 378 -9.320 8.307 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.908 6.218 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.540 8.631 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.602 8.477 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.416 6.798 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.350 6.940 -5.236 1.00 0.00 H new ATOM 383 N GLY A 379 -10.416 6.218 -8.516 1.00 0.00 N ATOM 384 CA GLY A 379 -10.556 5.397 -9.701 1.00 0.00 C ATOM 385 C GLY A 379 -9.886 4.047 -9.562 1.00 0.00 C ATOM 386 O GLY A 379 -10.415 3.037 -10.024 1.00 0.00 O ATOM 0 H GLY A 379 -9.884 7.078 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.615 5.252 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.129 5.923 -10.555 1.00 0.00 H new ATOM 390 N SER A 380 -8.720 4.027 -8.931 1.00 0.00 N ATOM 391 CA SER A 380 -7.983 2.785 -8.745 1.00 0.00 C ATOM 392 C SER A 380 -8.682 1.861 -7.753 1.00 0.00 C ATOM 393 O SER A 380 -8.891 0.683 -8.031 1.00 0.00 O ATOM 394 CB SER A 380 -6.567 3.078 -8.267 1.00 0.00 C ATOM 395 OG SER A 380 -5.853 3.853 -9.216 1.00 0.00 O ATOM 0 H SER A 380 -8.266 4.853 -8.541 1.00 0.00 H new ATOM 0 HA SER A 380 -7.943 2.278 -9.709 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.605 3.608 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.040 2.141 -8.089 1.00 0.00 H new ATOM 0 HG SER A 380 -6.085 4.799 -9.107 1.00 0.00 H new ATOM 401 N CYS A 381 -9.026 2.404 -6.590 1.00 0.00 N ATOM 402 CA CYS A 381 -9.681 1.635 -5.533 1.00 0.00 C ATOM 403 C CYS A 381 -10.911 0.882 -6.036 1.00 0.00 C ATOM 404 O CYS A 381 -11.082 -0.301 -5.739 1.00 0.00 O ATOM 405 CB CYS A 381 -10.075 2.562 -4.388 1.00 0.00 C ATOM 406 SG CYS A 381 -8.686 3.519 -3.704 1.00 0.00 S ATOM 0 H CYS A 381 -8.861 3.382 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.966 0.891 -5.183 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.841 3.253 -4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.523 1.969 -3.591 1.00 0.00 H new ATOM 411 N ASN A 382 -11.766 1.569 -6.786 1.00 0.00 N ATOM 412 CA ASN A 382 -12.983 0.953 -7.316 1.00 0.00 C ATOM 413 C ASN A 382 -12.657 -0.332 -8.066 1.00 0.00 C ATOM 414 O ASN A 382 -13.480 -1.244 -8.152 1.00 0.00 O ATOM 415 CB ASN A 382 -13.704 1.916 -8.263 1.00 0.00 C ATOM 416 CG ASN A 382 -14.005 3.261 -7.630 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.620 3.431 -6.371 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.581 4.142 -8.268 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.642 2.549 -7.041 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.631 0.720 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.091 2.069 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.637 1.460 -8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.861 3.972 -9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.778 5.042 -7.831 1.00 0.00 H new ATOM 425 N LYS A 383 -11.456 -0.381 -8.621 1.00 0.00 N ATOM 426 CA LYS A 383 -11.002 -1.527 -9.389 1.00 0.00 C ATOM 427 C LYS A 383 -10.395 -2.599 -8.487 1.00 0.00 C ATOM 428 O LYS A 383 -10.465 -3.791 -8.790 1.00 0.00 O ATOM 429 CB LYS A 383 -9.985 -1.051 -10.422 1.00 0.00 C ATOM 430 CG LYS A 383 -10.477 0.153 -11.213 1.00 0.00 C ATOM 431 CD LYS A 383 -9.366 0.780 -12.040 1.00 0.00 C ATOM 432 CE LYS A 383 -8.840 -0.177 -13.099 1.00 0.00 C ATOM 433 NZ LYS A 383 -7.776 0.448 -13.930 1.00 0.00 N ATOM 0 H LYS A 383 -10.771 0.371 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.856 -1.980 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.053 -0.794 -9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.761 -1.867 -11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.291 -0.152 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.883 0.897 -10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -9.737 1.685 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -8.549 1.080 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -8.446 -1.072 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -9.661 -0.496 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -7.443 -0.236 -14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -8.159 1.287 -14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -6.981 0.730 -13.322 1.00 0.00 H new ATOM 447 N LYS A 384 -9.788 -2.167 -7.386 1.00 0.00 N ATOM 448 CA LYS A 384 -9.156 -3.079 -6.447 1.00 0.00 C ATOM 449 C LYS A 384 -10.177 -3.946 -5.716 1.00 0.00 C ATOM 450 O LYS A 384 -11.146 -3.438 -5.149 1.00 0.00 O ATOM 451 CB LYS A 384 -8.332 -2.276 -5.442 1.00 0.00 C ATOM 452 CG LYS A 384 -6.958 -1.846 -5.948 1.00 0.00 C ATOM 453 CD LYS A 384 -6.983 -1.321 -7.377 1.00 0.00 C ATOM 454 CE LYS A 384 -6.694 -2.420 -8.390 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.732 -1.910 -9.789 1.00 0.00 N ATOM 0 H LYS A 384 -9.722 -1.184 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.508 -3.750 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.895 -1.387 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.202 -2.873 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.561 -1.072 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.275 -2.694 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.959 -0.882 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.246 -0.525 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.714 -2.852 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.425 -3.221 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.509 -2.370 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.884 -0.881 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.830 -2.122 -10.260 1.00 0.00 H new ATOM 469 N ASP A 385 -9.940 -5.257 -5.718 1.00 0.00 N ATOM 470 CA ASP A 385 -10.827 -6.195 -5.039 1.00 0.00 C ATOM 471 C ASP A 385 -10.598 -6.138 -3.532 1.00 0.00 C ATOM 472 O ASP A 385 -9.946 -5.224 -3.036 1.00 0.00 O ATOM 473 CB ASP A 385 -10.592 -7.616 -5.552 1.00 0.00 C ATOM 474 CG ASP A 385 -10.847 -7.744 -7.042 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.987 -7.473 -7.474 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.906 -8.115 -7.774 1.00 0.00 O ATOM 0 H ASP A 385 -9.142 -5.691 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.859 -5.913 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.566 -7.912 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.243 -8.305 -5.014 1.00 0.00 H new ATOM 481 N GLN A 386 -11.128 -7.120 -2.809 1.00 0.00 N ATOM 482 CA GLN A 386 -10.973 -7.166 -1.356 1.00 0.00 C ATOM 483 C GLN A 386 -9.500 -7.097 -0.962 1.00 0.00 C ATOM 484 O GLN A 386 -9.081 -6.189 -0.243 1.00 0.00 O ATOM 485 CB GLN A 386 -11.611 -8.445 -0.800 1.00 0.00 C ATOM 486 CG GLN A 386 -11.592 -8.548 0.721 1.00 0.00 C ATOM 487 CD GLN A 386 -10.201 -8.759 1.289 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.532 -9.745 0.976 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.759 -7.833 2.130 1.00 0.00 N ATOM 0 H GLN A 386 -11.667 -7.892 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.479 -6.300 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.644 -8.500 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.091 -9.307 -1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -12.017 -7.638 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.233 -9.373 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.347 -7.032 2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.831 -7.922 2.545 1.00 0.00 H new ATOM 498 N ASN A 387 -8.720 -8.060 -1.437 1.00 0.00 N ATOM 499 CA ASN A 387 -7.299 -8.117 -1.138 1.00 0.00 C ATOM 500 C ASN A 387 -6.547 -6.947 -1.770 1.00 0.00 C ATOM 501 O ASN A 387 -5.447 -6.601 -1.341 1.00 0.00 O ATOM 502 CB ASN A 387 -6.723 -9.443 -1.632 1.00 0.00 C ATOM 503 CG ASN A 387 -5.231 -9.543 -1.420 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.741 -9.439 -0.296 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.498 -9.748 -2.505 1.00 0.00 N ATOM 0 H ASN A 387 -9.053 -8.816 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.175 -8.045 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.216 -10.265 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.944 -9.558 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.484 -9.826 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.948 -9.828 -3.417 1.00 0.00 H new ATOM 512 N GLU A 388 -7.143 -6.349 -2.797 1.00 0.00 N ATOM 513 CA GLU A 388 -6.524 -5.227 -3.495 1.00 0.00 C ATOM 514 C GLU A 388 -6.894 -3.896 -2.854 1.00 0.00 C ATOM 515 O GLU A 388 -6.209 -2.893 -3.064 1.00 0.00 O ATOM 516 CB GLU A 388 -6.924 -5.240 -4.969 1.00 0.00 C ATOM 517 CG GLU A 388 -6.498 -6.503 -5.701 1.00 0.00 C ATOM 518 CD GLU A 388 -6.921 -6.507 -7.157 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.530 -5.513 -7.603 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.641 -7.507 -7.852 1.00 0.00 O ATOM 0 H GLU A 388 -8.054 -6.623 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.443 -5.339 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.006 -5.133 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.483 -4.376 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.414 -6.604 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.927 -7.371 -5.200 1.00 0.00 H new ATOM 527 N CYS A 389 -7.972 -3.883 -2.074 1.00 0.00 N ATOM 528 CA CYS A 389 -8.407 -2.661 -1.412 1.00 0.00 C ATOM 529 C CYS A 389 -7.275 -2.136 -0.537 1.00 0.00 C ATOM 530 O CYS A 389 -7.060 -2.611 0.578 1.00 0.00 O ATOM 531 CB CYS A 389 -9.665 -2.919 -0.578 1.00 0.00 C ATOM 532 SG CYS A 389 -10.563 -1.410 -0.090 1.00 0.00 S ATOM 0 H CYS A 389 -8.555 -4.699 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.656 -1.911 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.338 -3.561 -1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.385 -3.468 0.321 1.00 0.00 H new ATOM 537 N LYS A 390 -6.536 -1.176 -1.076 1.00 0.00 N ATOM 538 CA LYS A 390 -5.391 -0.595 -0.386 1.00 0.00 C ATOM 539 C LYS A 390 -5.806 0.265 0.802 1.00 0.00 C ATOM 540 O LYS A 390 -6.970 0.643 0.935 1.00 0.00 O ATOM 541 CB LYS A 390 -4.558 0.210 -1.376 1.00 0.00 C ATOM 542 CG LYS A 390 -3.931 -0.649 -2.467 1.00 0.00 C ATOM 543 CD LYS A 390 -2.874 -1.590 -1.905 1.00 0.00 C ATOM 544 CE LYS A 390 -1.697 -0.826 -1.315 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.015 0.018 -2.335 1.00 0.00 N ATOM 0 H LYS A 390 -6.711 -0.779 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.791 -1.410 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.188 0.970 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.769 0.734 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.708 -1.230 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.481 -0.006 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.320 -2.221 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.519 -2.252 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.047 -0.196 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.982 -1.531 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.094 0.332 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.870 -0.536 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.604 0.848 -2.548 1.00 0.00 H new ATOM 559 N SER A 391 -4.837 0.554 1.673 1.00 0.00 N ATOM 560 CA SER A 391 -5.076 1.349 2.866 1.00 0.00 C ATOM 561 C SER A 391 -5.770 2.669 2.533 1.00 0.00 C ATOM 562 O SER A 391 -6.823 2.968 3.096 1.00 0.00 O ATOM 563 CB SER A 391 -3.757 1.606 3.592 1.00 0.00 C ATOM 564 OG SER A 391 -3.128 0.389 3.955 1.00 0.00 O ATOM 0 H SER A 391 -3.871 0.243 1.567 1.00 0.00 H new ATOM 0 HA SER A 391 -5.742 0.786 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.092 2.185 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.940 2.204 4.484 1.00 0.00 H new ATOM 0 HG SER A 391 -2.285 0.581 4.417 1.00 0.00 H new ATOM 570 N PRO A 392 -5.212 3.483 1.606 1.00 0.00 N ATOM 571 CA PRO A 392 -5.820 4.753 1.218 1.00 0.00 C ATOM 572 C PRO A 392 -7.293 4.566 0.885 1.00 0.00 C ATOM 573 O PRO A 392 -8.125 5.436 1.150 1.00 0.00 O ATOM 574 CB PRO A 392 -5.025 5.172 -0.028 1.00 0.00 C ATOM 575 CG PRO A 392 -4.228 3.979 -0.419 1.00 0.00 C ATOM 576 CD PRO A 392 -3.974 3.246 0.853 1.00 0.00 C ATOM 0 HA PRO A 392 -5.784 5.500 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.693 5.478 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.377 6.021 0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.772 3.357 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.294 4.270 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.800 2.184 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.100 3.632 1.377 1.00 0.00 H new ATOM 584 N CYS A 393 -7.604 3.406 0.318 1.00 0.00 N ATOM 585 CA CYS A 393 -8.971 3.066 -0.038 1.00 0.00 C ATOM 586 C CYS A 393 -9.715 2.557 1.190 1.00 0.00 C ATOM 587 O CYS A 393 -9.126 1.913 2.059 1.00 0.00 O ATOM 588 CB CYS A 393 -8.992 1.987 -1.116 1.00 0.00 C ATOM 589 SG CYS A 393 -7.774 2.219 -2.450 1.00 0.00 S ATOM 0 H CYS A 393 -6.921 2.682 0.095 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.458 3.963 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.816 1.020 -0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.989 1.951 -1.555 1.00 0.00 H new ATOM 594 N LYS A 394 -11.007 2.835 1.252 1.00 0.00 N ATOM 595 CA LYS A 394 -11.826 2.389 2.372 1.00 0.00 C ATOM 596 C LYS A 394 -12.620 1.147 1.991 1.00 0.00 C ATOM 597 O LYS A 394 -13.399 1.162 1.038 1.00 0.00 O ATOM 598 CB LYS A 394 -12.764 3.506 2.830 1.00 0.00 C ATOM 599 CG LYS A 394 -13.636 3.120 4.013 1.00 0.00 C ATOM 600 CD LYS A 394 -14.448 4.299 4.531 1.00 0.00 C ATOM 601 CE LYS A 394 -13.572 5.327 5.235 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.634 6.009 4.300 1.00 0.00 N ATOM 0 H LYS A 394 -11.512 3.366 0.543 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.165 2.134 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.171 4.381 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.404 3.796 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.311 2.316 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.008 2.732 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.969 4.774 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.211 3.939 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.206 6.071 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.002 4.836 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.563 7.015 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.695 5.568 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.989 5.920 3.326 1.00 0.00 H new ATOM 616 N TRP A 395 -12.405 0.073 2.738 1.00 0.00 N ATOM 617 CA TRP A 395 -13.087 -1.187 2.482 1.00 0.00 C ATOM 618 C TRP A 395 -14.521 -1.158 3.004 1.00 0.00 C ATOM 619 O TRP A 395 -14.809 -0.528 4.022 1.00 0.00 O ATOM 620 CB TRP A 395 -12.320 -2.343 3.123 1.00 0.00 C ATOM 621 CG TRP A 395 -12.934 -3.684 2.857 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.294 -4.617 3.786 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.255 -4.244 1.578 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.824 -5.721 3.165 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.810 -5.517 1.810 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.130 -3.795 0.258 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.238 -6.343 0.775 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.556 -4.617 -0.767 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.104 -5.878 -0.504 1.00 0.00 C ATOM 0 H TRP A 395 -11.761 0.050 3.529 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.123 -1.335 1.403 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.296 -2.340 2.751 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.268 -2.182 4.200 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.179 -4.503 4.854 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.171 -6.557 3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.708 -2.824 0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.661 -7.316 0.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.465 -4.281 -1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.428 -6.496 -1.328 1.00 0.00 H new ATOM 640 N HIS A 396 -15.415 -1.851 2.301 1.00 0.00 N ATOM 641 CA HIS A 396 -16.817 -1.911 2.696 1.00 0.00 C ATOM 642 C HIS A 396 -17.314 -3.354 2.699 1.00 0.00 C ATOM 643 O HIS A 396 -17.429 -3.985 1.645 1.00 0.00 O ATOM 644 CB HIS A 396 -17.671 -1.065 1.750 1.00 0.00 C ATOM 645 CG HIS A 396 -17.271 0.376 1.713 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.290 1.191 2.825 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.834 1.149 0.690 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.884 2.403 2.489 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.601 2.404 1.199 1.00 0.00 N ATOM 0 H HIS A 396 -15.192 -2.377 1.456 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.906 -1.511 3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.603 -1.479 0.744 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.715 -1.136 2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.695 0.837 -0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.798 3.248 3.156 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.264 3.206 0.667 1.00 0.00 H new ATOM 658 N ASN A 397 -17.603 -3.867 3.893 1.00 0.00 N ATOM 659 CA ASN A 397 -18.085 -5.235 4.053 1.00 0.00 C ATOM 660 C ASN A 397 -19.607 -5.291 3.930 1.00 0.00 C ATOM 661 O ASN A 397 -20.306 -4.373 4.361 1.00 0.00 O ATOM 662 CB ASN A 397 -17.643 -5.794 5.407 1.00 0.00 C ATOM 663 CG ASN A 397 -17.888 -7.286 5.532 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.019 -7.753 5.413 1.00 0.00 O ATOM 665 ND2 ASN A 397 -16.825 -8.043 5.774 1.00 0.00 N ATOM 0 H ASN A 397 -17.511 -3.351 4.768 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.655 -5.846 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.582 -5.591 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.177 -5.274 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -16.929 -9.053 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -15.904 -7.614 5.866 1.00 0.00 H new ATOM 672 N ASP A 398 -20.110 -6.369 3.331 1.00 0.00 N ATOM 673 CA ASP A 398 -21.549 -6.544 3.138 1.00 0.00 C ATOM 674 C ASP A 398 -22.133 -5.378 2.348 1.00 0.00 C ATOM 675 O ASP A 398 -23.276 -4.976 2.567 1.00 0.00 O ATOM 676 CB ASP A 398 -22.269 -6.674 4.484 1.00 0.00 C ATOM 677 CG ASP A 398 -21.874 -7.927 5.241 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.036 -9.033 4.683 1.00 0.00 O ATOM 679 OD2 ASP A 398 -21.412 -7.802 6.394 1.00 0.00 O ATOM 0 H ASP A 398 -19.542 -7.135 2.970 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.700 -7.463 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.047 -5.800 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.346 -6.680 4.316 1.00 0.00 H new ATOM 684 N ALA A 399 -21.340 -4.843 1.426 1.00 0.00 N ATOM 685 CA ALA A 399 -21.773 -3.726 0.597 1.00 0.00 C ATOM 686 C ALA A 399 -22.583 -4.214 -0.598 1.00 0.00 C ATOM 687 O ALA A 399 -22.439 -3.703 -1.708 1.00 0.00 O ATOM 688 CB ALA A 399 -20.573 -2.930 0.126 1.00 0.00 C ATOM 0 H ALA A 399 -20.392 -5.166 1.234 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.413 -3.082 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.909 -2.098 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.030 -2.545 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.916 -3.574 -0.458 1.00 0.00 H new ATOM 694 N GLU A 400 -23.422 -5.217 -0.353 1.00 0.00 N ATOM 695 CA GLU A 400 -24.264 -5.812 -1.384 1.00 0.00 C ATOM 696 C GLU A 400 -23.437 -6.687 -2.321 1.00 0.00 C ATOM 697 O GLU A 400 -23.958 -7.624 -2.928 1.00 0.00 O ATOM 698 CB GLU A 400 -25.003 -4.734 -2.179 1.00 0.00 C ATOM 699 CG GLU A 400 -26.016 -5.297 -3.158 1.00 0.00 C ATOM 700 CD GLU A 400 -26.758 -4.216 -3.919 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.436 -3.392 -3.269 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.661 -4.192 -5.163 1.00 0.00 O ATOM 0 H GLU A 400 -23.537 -5.640 0.568 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.004 -6.439 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.512 -4.066 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.276 -4.133 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.506 -5.950 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.734 -5.913 -2.617 1.00 0.00 H new ATOM 709 N ASN A 401 -22.149 -6.377 -2.433 1.00 0.00 N ATOM 710 CA ASN A 401 -21.252 -7.132 -3.296 1.00 0.00 C ATOM 711 C ASN A 401 -19.815 -6.657 -3.120 1.00 0.00 C ATOM 712 O ASN A 401 -19.023 -6.678 -4.063 1.00 0.00 O ATOM 713 CB ASN A 401 -21.690 -6.972 -4.748 1.00 0.00 C ATOM 714 CG ASN A 401 -21.565 -5.542 -5.235 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.698 -4.865 -5.360 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.465 -5.043 -5.470 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.704 -5.606 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.297 -8.186 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.086 -7.622 -5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.725 -7.299 -4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.618 -5.601 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.400 -4.072 -5.774 1.00 0.00 H new ATOM 723 N LYS A 402 -19.492 -6.232 -1.901 1.00 0.00 N ATOM 724 CA LYS A 402 -18.154 -5.743 -1.573 1.00 0.00 C ATOM 725 C LYS A 402 -17.841 -4.456 -2.333 1.00 0.00 C ATOM 726 O LYS A 402 -18.063 -4.365 -3.540 1.00 0.00 O ATOM 727 CB LYS A 402 -17.094 -6.807 -1.883 1.00 0.00 C ATOM 728 CG LYS A 402 -17.106 -7.996 -0.930 1.00 0.00 C ATOM 729 CD LYS A 402 -18.393 -8.800 -1.035 1.00 0.00 C ATOM 730 CE LYS A 402 -18.376 -10.002 -0.106 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.215 -9.602 1.320 1.00 0.00 N ATOM 0 H LYS A 402 -20.145 -6.216 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.132 -5.529 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.245 -7.169 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.109 -6.342 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.256 -8.643 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.983 -7.641 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.243 -8.162 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.531 -9.135 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.303 -10.564 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.561 -10.668 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.427 -10.414 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.237 -9.289 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.869 -8.823 1.538 1.00 0.00 H new ATOM 745 N LYS A 403 -17.331 -3.456 -1.616 1.00 0.00 N ATOM 746 CA LYS A 403 -17.001 -2.174 -2.227 1.00 0.00 C ATOM 747 C LYS A 403 -15.730 -1.573 -1.638 1.00 0.00 C ATOM 748 O LYS A 403 -15.445 -1.726 -0.451 1.00 0.00 O ATOM 749 CB LYS A 403 -18.160 -1.193 -2.057 1.00 0.00 C ATOM 750 CG LYS A 403 -19.438 -1.644 -2.740 1.00 0.00 C ATOM 751 CD LYS A 403 -20.515 -0.571 -2.688 1.00 0.00 C ATOM 752 CE LYS A 403 -20.080 0.700 -3.406 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.776 0.452 -4.842 1.00 0.00 N ATOM 0 H LYS A 403 -17.139 -3.510 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.826 -2.356 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.355 -1.054 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.866 -0.223 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.226 -1.896 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.806 -2.551 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.430 -0.951 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.748 -0.340 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.868 1.449 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.198 1.111 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.683 1.361 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.885 -0.079 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.547 -0.099 -5.270 1.00 0.00 H new ATOM 767 N CYS A 404 -14.976 -0.877 -2.485 1.00 0.00 N ATOM 768 CA CYS A 404 -13.735 -0.228 -2.075 1.00 0.00 C ATOM 769 C CYS A 404 -13.600 1.113 -2.794 1.00 0.00 C ATOM 770 O CYS A 404 -13.676 1.174 -4.021 1.00 0.00 O ATOM 771 CB CYS A 404 -12.534 -1.125 -2.401 1.00 0.00 C ATOM 772 SG CYS A 404 -10.927 -0.462 -1.855 1.00 0.00 S ATOM 0 H CYS A 404 -15.207 -0.748 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.758 -0.059 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.688 -2.099 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.499 -1.287 -3.478 1.00 0.00 H new ATOM 777 N THR A 405 -13.419 2.190 -2.030 1.00 0.00 N ATOM 778 CA THR A 405 -13.300 3.524 -2.618 1.00 0.00 C ATOM 779 C THR A 405 -12.276 4.384 -1.886 1.00 0.00 C ATOM 780 O THR A 405 -12.257 4.442 -0.658 1.00 0.00 O ATOM 781 CB THR A 405 -14.653 4.258 -2.614 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.126 4.405 -1.269 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.685 3.506 -3.439 1.00 0.00 C ATOM 0 H THR A 405 -13.352 2.166 -1.012 1.00 0.00 H new ATOM 0 HA THR A 405 -12.965 3.374 -3.644 1.00 0.00 H new ATOM 0 HB THR A 405 -14.506 5.242 -3.059 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.374 4.317 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.631 4.047 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.337 3.422 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.828 2.509 -3.022 1.00 0.00 H new ATOM 791 N LEU A 406 -11.435 5.061 -2.661 1.00 0.00 N ATOM 792 CA LEU A 406 -10.401 5.933 -2.123 1.00 0.00 C ATOM 793 C LEU A 406 -11.007 7.016 -1.243 1.00 0.00 C ATOM 794 O LEU A 406 -12.106 7.507 -1.503 1.00 0.00 O ATOM 795 CB LEU A 406 -9.619 6.563 -3.275 1.00 0.00 C ATOM 796 CG LEU A 406 -8.293 7.237 -2.914 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.526 8.561 -2.211 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.437 6.312 -2.065 1.00 0.00 C ATOM 0 H LEU A 406 -11.452 5.019 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.726 5.339 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.417 5.788 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.258 7.304 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.756 7.445 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.567 9.017 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.088 9.227 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.091 8.392 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.499 6.809 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.969 6.065 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.228 5.398 -2.620 1.00 0.00 H new ATOM 810 N ASP A 407 -10.274 7.387 -0.204 1.00 0.00 N ATOM 811 CA ASP A 407 -10.722 8.420 0.720 1.00 0.00 C ATOM 812 C ASP A 407 -9.584 9.390 1.028 1.00 0.00 C ATOM 813 O ASP A 407 -8.466 8.973 1.326 1.00 0.00 O ATOM 814 CB ASP A 407 -11.240 7.781 2.010 1.00 0.00 C ATOM 815 CG ASP A 407 -11.910 8.782 2.932 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.232 9.731 3.373 1.00 0.00 O ATOM 817 OD2 ASP A 407 -13.116 8.614 3.212 1.00 0.00 O ATOM 0 H ASP A 407 -9.363 6.987 0.021 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.534 8.978 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.949 6.992 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.410 7.309 2.535 1.00 0.00 H new ATOM 822 N LYS A 408 -9.875 10.684 0.942 1.00 0.00 N ATOM 823 CA LYS A 408 -8.874 11.714 1.202 1.00 0.00 C ATOM 824 C LYS A 408 -8.385 11.656 2.645 1.00 0.00 C ATOM 825 O LYS A 408 -7.183 11.684 2.904 1.00 0.00 O ATOM 826 CB LYS A 408 -9.449 13.101 0.908 1.00 0.00 C ATOM 827 CG LYS A 408 -9.909 13.282 -0.530 1.00 0.00 C ATOM 828 CD LYS A 408 -10.468 14.677 -0.762 1.00 0.00 C ATOM 829 CE LYS A 408 -10.916 14.866 -2.202 1.00 0.00 C ATOM 830 NZ LYS A 408 -9.793 14.686 -3.163 1.00 0.00 N ATOM 0 H LYS A 408 -10.796 11.045 0.694 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.026 11.528 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.292 13.284 1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.693 13.853 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.072 13.107 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.671 12.539 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.311 14.848 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.709 15.420 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.708 14.153 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.340 15.863 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.073 15.049 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.959 15.207 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.561 13.675 -3.241 1.00 0.00 H new ATOM 844 N GLU A 409 -9.328 11.585 3.578 1.00 0.00 N ATOM 845 CA GLU A 409 -9.003 11.531 5.000 1.00 0.00 C ATOM 846 C GLU A 409 -8.176 10.294 5.337 1.00 0.00 C ATOM 847 O GLU A 409 -7.259 10.354 6.156 1.00 0.00 O ATOM 848 CB GLU A 409 -10.287 11.540 5.833 1.00 0.00 C ATOM 849 CG GLU A 409 -11.182 12.741 5.570 1.00 0.00 C ATOM 850 CD GLU A 409 -10.524 14.061 5.932 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.499 14.408 5.307 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.035 14.748 6.841 1.00 0.00 O ATOM 0 H GLU A 409 -10.327 11.563 3.375 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.407 12.412 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.848 10.629 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.023 11.520 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.460 12.757 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.104 12.632 6.141 1.00 0.00 H new ATOM 859 N GLU A 410 -8.512 9.170 4.711 1.00 0.00 N ATOM 860 CA GLU A 410 -7.806 7.919 4.954 1.00 0.00 C ATOM 861 C GLU A 410 -6.394 7.962 4.381 1.00 0.00 C ATOM 862 O GLU A 410 -5.441 7.522 5.023 1.00 0.00 O ATOM 863 CB GLU A 410 -8.582 6.747 4.346 1.00 0.00 C ATOM 864 CG GLU A 410 -7.940 5.392 4.602 1.00 0.00 C ATOM 865 CD GLU A 410 -7.915 5.016 6.073 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.441 5.794 6.899 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.371 3.940 6.401 1.00 0.00 O ATOM 0 H GLU A 410 -9.270 9.101 4.031 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.731 7.779 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.594 6.743 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.671 6.900 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.484 4.628 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.920 5.401 4.217 1.00 0.00 H new ATOM 874 N ALA A 411 -6.268 8.485 3.166 1.00 0.00 N ATOM 875 CA ALA A 411 -4.973 8.575 2.503 1.00 0.00 C ATOM 876 C ALA A 411 -4.022 9.493 3.259 1.00 0.00 C ATOM 877 O ALA A 411 -2.863 9.145 3.479 1.00 0.00 O ATOM 878 CB ALA A 411 -5.146 9.056 1.070 1.00 0.00 C ATOM 0 H ALA A 411 -7.047 8.853 2.621 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.534 7.578 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.171 9.119 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.777 8.354 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.614 10.040 1.071 1.00 0.00 H new ATOM 884 N LYS A 412 -4.510 10.664 3.653 1.00 0.00 N ATOM 885 CA LYS A 412 -3.685 11.616 4.384 1.00 0.00 C ATOM 886 C LYS A 412 -3.278 11.044 5.739 1.00 0.00 C ATOM 887 O LYS A 412 -2.156 11.251 6.198 1.00 0.00 O ATOM 888 CB LYS A 412 -4.421 12.955 4.548 1.00 0.00 C ATOM 889 CG LYS A 412 -5.735 12.867 5.316 1.00 0.00 C ATOM 890 CD LYS A 412 -5.531 12.940 6.825 1.00 0.00 C ATOM 891 CE LYS A 412 -5.122 14.335 7.280 1.00 0.00 C ATOM 892 NZ LYS A 412 -3.773 14.719 6.779 1.00 0.00 N ATOM 0 H LYS A 412 -5.466 10.975 3.480 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.777 11.799 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.762 13.656 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.620 13.369 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.392 13.678 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.238 11.933 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.453 12.650 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.766 12.223 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.857 15.059 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.128 14.376 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -3.309 15.341 7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.197 13.864 6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -3.869 15.221 5.873 1.00 0.00 H new