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 397 ASN : amide:sc= 0.951 K(o=0.95,f=-3.7!) USER MOD Set 1.2: A 402 LYS NZ :NH3+ -137:sc=-0.00323 (180deg=-1.48!) USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 380 SER OG : rot -93:sc= 1.24 USER MOD Single : A 382 ASN :FLIP amide:sc= -2.9 F(o=-6.7!,f=-2.9) USER MOD Single : A 383 LYS NZ :NH3+ 145:sc= -2.86! (180deg=-5.42!) USER MOD Single : A 384 LYS NZ :NH3+ -117:sc= -0.138 (180deg=-2.58!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 387 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.014) USER MOD Single : A 390 LYS NZ :NH3+ 165:sc= -0.0584 (180deg=-0.315) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0.0425 (180deg=0.0425) USER MOD Single : A 396 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-4.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.21 F(o=-0.43,f=0.21) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.034 (180deg=-0.213) USER MOD Single : A 412 LYS NZ :NH3+ 171:sc= -1.46 (180deg=-1.7) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.260 5.864 -3.811 1.00 0.00 N ATOM 340 CA GLU A 376 -4.360 6.486 -3.084 1.00 0.00 C ATOM 341 C GLU A 376 -5.219 7.363 -3.981 1.00 0.00 C ATOM 342 O GLU A 376 -5.168 8.593 -3.923 1.00 0.00 O ATOM 343 CB GLU A 376 -3.826 7.296 -1.907 1.00 0.00 C ATOM 344 CG GLU A 376 -2.783 8.324 -2.311 1.00 0.00 C ATOM 345 CD GLU A 376 -2.126 8.991 -1.119 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.847 9.628 -0.323 1.00 0.00 O ATOM 347 OE2 GLU A 376 -0.890 8.878 -0.981 1.00 0.00 O ATOM 0 HA GLU A 376 -4.996 5.683 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.657 7.804 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.392 6.616 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.018 7.840 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.252 9.085 -2.935 1.00 0.00 H new ATOM 354 N THR A 377 -6.030 6.710 -4.785 1.00 0.00 N ATOM 355 CA THR A 377 -6.943 7.394 -5.684 1.00 0.00 C ATOM 356 C THR A 377 -8.242 6.619 -5.794 1.00 0.00 C ATOM 357 O THR A 377 -8.244 5.389 -5.815 1.00 0.00 O ATOM 358 CB THR A 377 -6.354 7.584 -7.091 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.006 6.316 -7.659 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.128 8.484 -7.052 1.00 0.00 C ATOM 0 H THR A 377 -6.077 5.692 -4.836 1.00 0.00 H new ATOM 0 HA THR A 377 -7.122 8.382 -5.259 1.00 0.00 H new ATOM 0 HB THR A 377 -7.113 8.060 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.634 6.450 -8.555 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.731 8.602 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.406 9.460 -6.655 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.368 8.035 -6.413 1.00 0.00 H new ATOM 368 N GLU A 378 -9.347 7.344 -5.855 1.00 0.00 N ATOM 369 CA GLU A 378 -10.656 6.719 -5.956 1.00 0.00 C ATOM 370 C GLU A 378 -10.709 5.815 -7.174 1.00 0.00 C ATOM 371 O GLU A 378 -11.321 4.749 -7.153 1.00 0.00 O ATOM 372 CB GLU A 378 -11.750 7.783 -6.046 1.00 0.00 C ATOM 373 CG GLU A 378 -13.158 7.209 -6.062 1.00 0.00 C ATOM 374 CD GLU A 378 -14.224 8.283 -6.145 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.221 9.048 -7.132 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.063 8.360 -5.222 1.00 0.00 O ATOM 0 H GLU A 378 -9.364 8.364 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.825 6.120 -5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.654 8.464 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.597 8.374 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.261 6.533 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.315 6.615 -5.161 1.00 0.00 H new ATOM 383 N GLY A 379 -10.063 6.265 -8.237 1.00 0.00 N ATOM 384 CA GLY A 379 -10.038 5.511 -9.470 1.00 0.00 C ATOM 385 C GLY A 379 -9.347 4.169 -9.352 1.00 0.00 C ATOM 386 O GLY A 379 -9.762 3.206 -9.994 1.00 0.00 O ATOM 0 H GLY A 379 -9.551 7.147 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.062 5.353 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.536 6.102 -10.236 1.00 0.00 H new ATOM 390 N SER A 380 -8.290 4.092 -8.552 1.00 0.00 N ATOM 391 CA SER A 380 -7.564 2.838 -8.399 1.00 0.00 C ATOM 392 C SER A 380 -8.257 1.908 -7.409 1.00 0.00 C ATOM 393 O SER A 380 -8.379 0.711 -7.649 1.00 0.00 O ATOM 394 CB SER A 380 -6.131 3.105 -7.942 1.00 0.00 C ATOM 395 OG SER A 380 -6.112 3.787 -6.702 1.00 0.00 O ATOM 0 H SER A 380 -7.921 4.871 -8.007 1.00 0.00 H new ATOM 0 HA SER A 380 -7.547 2.347 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.593 2.161 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.610 3.697 -8.695 1.00 0.00 H new ATOM 0 HG SER A 380 -6.072 4.753 -6.861 1.00 0.00 H new ATOM 401 N CYS A 381 -8.688 2.470 -6.290 1.00 0.00 N ATOM 402 CA CYS A 381 -9.345 1.700 -5.239 1.00 0.00 C ATOM 403 C CYS A 381 -10.594 0.969 -5.723 1.00 0.00 C ATOM 404 O CYS A 381 -10.759 -0.223 -5.463 1.00 0.00 O ATOM 405 CB CYS A 381 -9.698 2.623 -4.077 1.00 0.00 C ATOM 406 SG CYS A 381 -8.244 3.269 -3.195 1.00 0.00 S ATOM 0 H CYS A 381 -8.595 3.464 -6.083 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.641 0.933 -4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.286 3.460 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.329 2.082 -3.372 1.00 0.00 H new ATOM 411 N ASN A 382 -11.479 1.684 -6.404 1.00 0.00 N ATOM 412 CA ASN A 382 -12.721 1.095 -6.897 1.00 0.00 C ATOM 413 C ASN A 382 -12.456 -0.128 -7.772 1.00 0.00 C ATOM 414 O ASN A 382 -13.349 -0.945 -7.994 1.00 0.00 O ATOM 415 CB ASN A 382 -13.528 2.129 -7.689 1.00 0.00 C ATOM 416 CG ASN A 382 -13.806 3.398 -6.903 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.330 3.458 -5.664 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.447 4.320 -7.406 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.362 2.672 -6.629 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.296 0.775 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.986 2.384 -8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.475 1.684 -7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.796 4.237 -8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.629 5.167 -6.868 1.00 0.00 H new ATOM 425 N LYS A 383 -11.233 -0.241 -8.277 1.00 0.00 N ATOM 426 CA LYS A 383 -10.862 -1.355 -9.140 1.00 0.00 C ATOM 427 C LYS A 383 -10.286 -2.517 -8.336 1.00 0.00 C ATOM 428 O LYS A 383 -10.480 -3.682 -8.683 1.00 0.00 O ATOM 429 CB LYS A 383 -9.846 -0.882 -10.180 1.00 0.00 C ATOM 430 CG LYS A 383 -10.262 0.400 -10.886 1.00 0.00 C ATOM 431 CD LYS A 383 -11.577 0.241 -11.639 1.00 0.00 C ATOM 432 CE LYS A 383 -11.415 -0.595 -12.903 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.045 -2.007 -12.606 1.00 0.00 N ATOM 0 H LYS A 383 -10.481 0.426 -8.103 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.762 -1.712 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.884 -0.725 -9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.703 -1.668 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.359 1.201 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.480 0.699 -11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.314 -0.228 -10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.965 1.225 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.347 -0.578 -13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.649 -0.147 -13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.493 -2.637 -13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.012 -2.113 -12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.371 -2.258 -11.651 1.00 0.00 H new ATOM 447 N LYS A 384 -9.560 -2.189 -7.274 1.00 0.00 N ATOM 448 CA LYS A 384 -8.933 -3.192 -6.426 1.00 0.00 C ATOM 449 C LYS A 384 -9.957 -4.006 -5.645 1.00 0.00 C ATOM 450 O LYS A 384 -10.848 -3.453 -5.001 1.00 0.00 O ATOM 451 CB LYS A 384 -7.959 -2.507 -5.470 1.00 0.00 C ATOM 452 CG LYS A 384 -6.601 -2.168 -6.082 1.00 0.00 C ATOM 453 CD LYS A 384 -6.703 -1.598 -7.491 1.00 0.00 C ATOM 454 CE LYS A 384 -6.613 -2.685 -8.553 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.702 -2.125 -9.929 1.00 0.00 N ATOM 0 H LYS A 384 -9.391 -1.227 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.396 -3.889 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.417 -1.589 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.803 -3.153 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.091 -1.448 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.985 -3.067 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.647 -1.063 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.905 -0.872 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.673 -3.225 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.415 -3.407 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.552 -2.495 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.757 -1.088 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.858 -2.401 -10.471 1.00 0.00 H new ATOM 469 N ASP A 385 -9.807 -5.327 -5.698 1.00 0.00 N ATOM 470 CA ASP A 385 -10.702 -6.231 -4.985 1.00 0.00 C ATOM 471 C ASP A 385 -10.410 -6.189 -3.490 1.00 0.00 C ATOM 472 O ASP A 385 -9.529 -5.454 -3.049 1.00 0.00 O ATOM 473 CB ASP A 385 -10.550 -7.660 -5.511 1.00 0.00 C ATOM 474 CG ASP A 385 -10.879 -7.775 -6.988 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.222 -6.744 -7.604 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.792 -8.898 -7.529 1.00 0.00 O ATOM 0 H ASP A 385 -9.072 -5.795 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.729 -5.906 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.528 -7.999 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.203 -8.324 -4.944 1.00 0.00 H new ATOM 481 N GLN A 386 -11.150 -6.977 -2.716 1.00 0.00 N ATOM 482 CA GLN A 386 -10.968 -7.021 -1.267 1.00 0.00 C ATOM 483 C GLN A 386 -9.492 -7.152 -0.902 1.00 0.00 C ATOM 484 O GLN A 386 -8.976 -6.395 -0.080 1.00 0.00 O ATOM 485 CB GLN A 386 -11.753 -8.190 -0.670 1.00 0.00 C ATOM 486 CG GLN A 386 -11.669 -8.268 0.846 1.00 0.00 C ATOM 487 CD GLN A 386 -12.437 -9.446 1.414 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.647 -9.564 1.222 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.733 -10.325 2.117 1.00 0.00 N ATOM 0 H GLN A 386 -11.882 -7.594 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.344 -6.085 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.799 -8.102 -0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.380 -9.122 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.623 -8.343 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.058 -7.345 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.731 -10.186 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.194 -11.139 2.524 1.00 0.00 H new ATOM 498 N ASN A 387 -8.821 -8.117 -1.518 1.00 0.00 N ATOM 499 CA ASN A 387 -7.413 -8.353 -1.264 1.00 0.00 C ATOM 500 C ASN A 387 -6.558 -7.192 -1.765 1.00 0.00 C ATOM 501 O ASN A 387 -5.573 -6.814 -1.131 1.00 0.00 O ATOM 502 CB ASN A 387 -6.988 -9.646 -1.940 1.00 0.00 C ATOM 503 CG ASN A 387 -7.802 -10.838 -1.475 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.827 -11.163 -0.288 1.00 0.00 O ATOM 505 ND2 ASN A 387 -8.472 -11.498 -2.412 1.00 0.00 N ATOM 0 H ASN A 387 -9.236 -8.751 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.264 -8.435 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.091 -9.539 -3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.933 -9.829 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -9.036 -12.310 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.423 -11.194 -3.384 1.00 0.00 H new ATOM 512 N GLU A 388 -6.943 -6.634 -2.910 1.00 0.00 N ATOM 513 CA GLU A 388 -6.214 -5.518 -3.505 1.00 0.00 C ATOM 514 C GLU A 388 -6.594 -4.199 -2.850 1.00 0.00 C ATOM 515 O GLU A 388 -6.013 -3.158 -3.157 1.00 0.00 O ATOM 516 CB GLU A 388 -6.482 -5.457 -5.010 1.00 0.00 C ATOM 517 CG GLU A 388 -6.065 -6.715 -5.755 1.00 0.00 C ATOM 518 CD GLU A 388 -6.370 -6.644 -7.238 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.558 -6.499 -7.595 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.419 -6.732 -8.043 1.00 0.00 O ATOM 0 H GLU A 388 -7.757 -6.937 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.150 -5.682 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.545 -5.283 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.951 -4.603 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.996 -6.878 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.577 -7.575 -5.323 1.00 0.00 H new ATOM 527 N CYS A 389 -7.569 -4.242 -1.945 1.00 0.00 N ATOM 528 CA CYS A 389 -8.004 -3.037 -1.259 1.00 0.00 C ATOM 529 C CYS A 389 -6.835 -2.460 -0.466 1.00 0.00 C ATOM 530 O CYS A 389 -6.495 -2.949 0.611 1.00 0.00 O ATOM 531 CB CYS A 389 -9.191 -3.340 -0.343 1.00 0.00 C ATOM 532 SG CYS A 389 -10.230 -1.889 0.018 1.00 0.00 S ATOM 0 H CYS A 389 -8.066 -5.091 -1.674 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.332 -2.301 -1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.808 -4.111 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.818 -3.751 0.595 1.00 0.00 H new ATOM 537 N LYS A 390 -6.204 -1.441 -1.035 1.00 0.00 N ATOM 538 CA LYS A 390 -5.042 -0.805 -0.427 1.00 0.00 C ATOM 539 C LYS A 390 -5.411 0.002 0.816 1.00 0.00 C ATOM 540 O LYS A 390 -6.577 0.327 1.037 1.00 0.00 O ATOM 541 CB LYS A 390 -4.348 0.073 -1.461 1.00 0.00 C ATOM 542 CG LYS A 390 -3.935 -0.696 -2.711 1.00 0.00 C ATOM 543 CD LYS A 390 -3.240 0.203 -3.723 1.00 0.00 C ATOM 544 CE LYS A 390 -1.919 0.731 -3.188 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.971 -0.371 -2.867 1.00 0.00 N ATOM 0 H LYS A 390 -6.482 -1.033 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.359 -1.588 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.015 0.887 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.465 0.527 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.269 -1.512 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.816 -1.146 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.064 -0.353 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.892 1.040 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.468 1.395 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.101 1.326 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.013 0.018 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.265 -0.836 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.971 -1.066 -3.641 1.00 0.00 H new ATOM 559 N SER A 391 -4.401 0.299 1.636 1.00 0.00 N ATOM 560 CA SER A 391 -4.601 1.044 2.878 1.00 0.00 C ATOM 561 C SER A 391 -5.417 2.320 2.653 1.00 0.00 C ATOM 562 O SER A 391 -6.439 2.518 3.310 1.00 0.00 O ATOM 563 CB SER A 391 -3.253 1.382 3.520 1.00 0.00 C ATOM 564 OG SER A 391 -3.429 2.080 4.741 1.00 0.00 O ATOM 0 H SER A 391 -3.432 0.033 1.460 1.00 0.00 H new ATOM 0 HA SER A 391 -5.169 0.406 3.555 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.692 0.465 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.662 1.988 2.833 1.00 0.00 H new ATOM 0 HG SER A 391 -2.553 2.283 5.131 1.00 0.00 H new ATOM 570 N PRO A 392 -5.001 3.205 1.721 1.00 0.00 N ATOM 571 CA PRO A 392 -5.730 4.442 1.434 1.00 0.00 C ATOM 572 C PRO A 392 -7.188 4.168 1.104 1.00 0.00 C ATOM 573 O PRO A 392 -8.077 4.968 1.406 1.00 0.00 O ATOM 574 CB PRO A 392 -5.010 5.004 0.200 1.00 0.00 C ATOM 575 CG PRO A 392 -4.208 3.874 -0.336 1.00 0.00 C ATOM 576 CD PRO A 392 -3.811 3.089 0.864 1.00 0.00 C ATOM 0 HA PRO A 392 -5.738 5.122 2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.723 5.366 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.372 5.847 0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.791 3.269 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.335 4.232 -0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.588 2.051 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.923 3.500 1.344 1.00 0.00 H new ATOM 584 N CYS A 393 -7.417 3.029 0.466 1.00 0.00 N ATOM 585 CA CYS A 393 -8.753 2.622 0.068 1.00 0.00 C ATOM 586 C CYS A 393 -9.610 2.281 1.276 1.00 0.00 C ATOM 587 O CYS A 393 -9.106 1.839 2.309 1.00 0.00 O ATOM 588 CB CYS A 393 -8.675 1.419 -0.858 1.00 0.00 C ATOM 589 SG CYS A 393 -7.522 1.632 -2.249 1.00 0.00 S ATOM 0 H CYS A 393 -6.685 2.366 0.212 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.216 3.459 -0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.373 0.546 -0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.670 1.211 -1.252 1.00 0.00 H new ATOM 594 N LYS A 394 -10.911 2.475 1.129 1.00 0.00 N ATOM 595 CA LYS A 394 -11.857 2.181 2.195 1.00 0.00 C ATOM 596 C LYS A 394 -12.707 0.971 1.831 1.00 0.00 C ATOM 597 O LYS A 394 -13.429 0.976 0.828 1.00 0.00 O ATOM 598 CB LYS A 394 -12.742 3.397 2.477 1.00 0.00 C ATOM 599 CG LYS A 394 -13.764 3.172 3.581 1.00 0.00 C ATOM 600 CD LYS A 394 -14.471 4.465 3.961 1.00 0.00 C ATOM 601 CE LYS A 394 -15.215 5.071 2.781 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.882 6.352 3.144 1.00 0.00 N ATOM 0 H LYS A 394 -11.338 2.837 0.277 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.297 1.948 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.108 4.241 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.265 3.674 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.499 2.437 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.268 2.757 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.173 4.270 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.741 5.182 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.517 5.244 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.961 4.363 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.378 6.733 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.567 6.182 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.168 7.037 3.465 1.00 0.00 H new ATOM 616 N TRP A 395 -12.597 -0.066 2.655 1.00 0.00 N ATOM 617 CA TRP A 395 -13.328 -1.306 2.442 1.00 0.00 C ATOM 618 C TRP A 395 -14.755 -1.216 2.976 1.00 0.00 C ATOM 619 O TRP A 395 -15.031 -0.482 3.926 1.00 0.00 O ATOM 620 CB TRP A 395 -12.596 -2.471 3.113 1.00 0.00 C ATOM 621 CG TRP A 395 -13.276 -3.789 2.905 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.727 -4.640 3.871 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.578 -4.410 1.649 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.301 -5.746 3.295 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.220 -5.629 1.932 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.373 -4.050 0.314 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.657 -6.491 0.929 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.806 -4.906 -0.680 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.443 -6.113 -0.367 1.00 0.00 C ATOM 0 H TRP A 395 -12.002 -0.069 3.484 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.380 -1.479 1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.580 -2.527 2.722 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.516 -2.275 4.182 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.645 -4.469 4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.720 -6.528 3.799 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.885 -3.120 0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.147 -7.424 1.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.651 -4.640 -1.715 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.772 -6.759 -1.167 1.00 0.00 H new ATOM 640 N HIS A 396 -15.654 -1.984 2.364 1.00 0.00 N ATOM 641 CA HIS A 396 -17.052 -2.010 2.776 1.00 0.00 C ATOM 642 C HIS A 396 -17.613 -3.428 2.685 1.00 0.00 C ATOM 643 O HIS A 396 -17.850 -3.945 1.590 1.00 0.00 O ATOM 644 CB HIS A 396 -17.885 -1.065 1.907 1.00 0.00 C ATOM 645 CG HIS A 396 -17.530 0.379 2.078 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.657 1.048 3.277 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.050 1.285 1.193 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.274 2.303 3.123 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.900 2.471 1.867 1.00 0.00 N ATOM 0 H HIS A 396 -15.436 -2.598 1.579 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.106 -1.676 3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.756 -1.340 0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.940 -1.201 2.145 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.994 0.638 4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.827 1.107 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.268 3.061 3.892 1.00 0.00 H new ATOM 658 N ASN A 397 -17.827 -4.044 3.847 1.00 0.00 N ATOM 659 CA ASN A 397 -18.367 -5.399 3.918 1.00 0.00 C ATOM 660 C ASN A 397 -19.873 -5.399 3.689 1.00 0.00 C ATOM 661 O ASN A 397 -20.585 -4.527 4.190 1.00 0.00 O ATOM 662 CB ASN A 397 -18.051 -6.033 5.274 1.00 0.00 C ATOM 663 CG ASN A 397 -16.584 -6.369 5.437 1.00 0.00 C ATOM 664 OD1 ASN A 397 -16.061 -7.248 4.754 1.00 0.00 O ATOM 665 ND2 ASN A 397 -15.912 -5.668 6.344 1.00 0.00 N ATOM 0 H ASN A 397 -17.633 -3.623 4.756 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.895 -5.987 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.353 -5.350 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.642 -6.941 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -14.920 -5.850 6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.388 -4.948 6.887 1.00 0.00 H new ATOM 672 N ASP A 398 -20.351 -6.382 2.932 1.00 0.00 N ATOM 673 CA ASP A 398 -21.775 -6.504 2.634 1.00 0.00 C ATOM 674 C ASP A 398 -22.292 -5.214 1.999 1.00 0.00 C ATOM 675 O ASP A 398 -23.406 -4.769 2.274 1.00 0.00 O ATOM 676 CB ASP A 398 -22.559 -6.821 3.913 1.00 0.00 C ATOM 677 CG ASP A 398 -23.937 -7.394 3.633 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.754 -6.704 2.989 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.198 -8.539 4.060 1.00 0.00 O ATOM 0 H ASP A 398 -19.771 -7.108 2.512 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.918 -7.322 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -21.991 -7.530 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.662 -5.912 4.505 1.00 0.00 H new ATOM 684 N ALA A 399 -21.467 -4.619 1.145 1.00 0.00 N ATOM 685 CA ALA A 399 -21.828 -3.382 0.463 1.00 0.00 C ATOM 686 C ALA A 399 -22.655 -3.670 -0.781 1.00 0.00 C ATOM 687 O ALA A 399 -22.443 -3.066 -1.833 1.00 0.00 O ATOM 688 CB ALA A 399 -20.577 -2.610 0.094 1.00 0.00 C ATOM 0 H ALA A 399 -20.541 -4.975 0.908 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.432 -2.779 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.856 -1.687 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.017 -2.371 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.957 -3.216 -0.567 1.00 0.00 H new ATOM 694 N GLU A 400 -23.583 -4.612 -0.651 1.00 0.00 N ATOM 695 CA GLU A 400 -24.450 -5.022 -1.752 1.00 0.00 C ATOM 696 C GLU A 400 -23.669 -5.845 -2.771 1.00 0.00 C ATOM 697 O GLU A 400 -24.247 -6.634 -3.519 1.00 0.00 O ATOM 698 CB GLU A 400 -25.100 -3.811 -2.433 1.00 0.00 C ATOM 699 CG GLU A 400 -26.109 -3.079 -1.558 1.00 0.00 C ATOM 700 CD GLU A 400 -25.476 -2.430 -0.342 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.615 -1.544 -0.522 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.842 -2.810 0.791 1.00 0.00 O ATOM 0 H GLU A 400 -23.756 -5.113 0.220 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.245 -5.640 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.319 -3.112 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.597 -4.143 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.610 -2.315 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.875 -3.782 -1.231 1.00 0.00 H new ATOM 709 N ASN A 401 -22.351 -5.658 -2.789 1.00 0.00 N ATOM 710 CA ASN A 401 -21.483 -6.379 -3.707 1.00 0.00 C ATOM 711 C ASN A 401 -20.019 -6.057 -3.424 1.00 0.00 C ATOM 712 O ASN A 401 -19.176 -6.100 -4.321 1.00 0.00 O ATOM 713 CB ASN A 401 -21.837 -6.011 -5.145 1.00 0.00 C ATOM 714 CG ASN A 401 -21.572 -4.550 -5.448 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.639 -3.776 -5.585 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.423 -4.117 -5.538 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.862 -5.009 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.631 -7.450 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.259 -6.632 -5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.889 -6.232 -5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.630 -4.748 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.264 -3.127 -5.725 1.00 0.00 H new ATOM 723 N LYS A 402 -19.732 -5.739 -2.161 1.00 0.00 N ATOM 724 CA LYS A 402 -18.375 -5.406 -1.727 1.00 0.00 C ATOM 725 C LYS A 402 -17.892 -4.109 -2.375 1.00 0.00 C ATOM 726 O LYS A 402 -18.058 -3.908 -3.577 1.00 0.00 O ATOM 727 CB LYS A 402 -17.414 -6.550 -2.063 1.00 0.00 C ATOM 728 CG LYS A 402 -17.814 -7.886 -1.454 1.00 0.00 C ATOM 729 CD LYS A 402 -17.824 -7.832 0.066 1.00 0.00 C ATOM 730 CE LYS A 402 -18.245 -9.162 0.670 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.261 -9.118 2.157 1.00 0.00 N ATOM 0 H LYS A 402 -20.427 -5.705 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.394 -5.261 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.356 -6.658 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.415 -6.287 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.803 -8.168 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.121 -8.659 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.831 -7.565 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.505 -7.049 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.237 -9.429 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.562 -9.944 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.837 -9.989 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.715 -8.296 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.243 -9.038 2.491 1.00 0.00 H new ATOM 745 N LYS A 403 -17.301 -3.225 -1.571 1.00 0.00 N ATOM 746 CA LYS A 403 -16.807 -1.948 -2.082 1.00 0.00 C ATOM 747 C LYS A 403 -15.471 -1.554 -1.454 1.00 0.00 C ATOM 748 O LYS A 403 -15.252 -1.736 -0.258 1.00 0.00 O ATOM 749 CB LYS A 403 -17.835 -0.842 -1.839 1.00 0.00 C ATOM 750 CG LYS A 403 -19.159 -1.083 -2.538 1.00 0.00 C ATOM 751 CD LYS A 403 -20.086 0.116 -2.409 1.00 0.00 C ATOM 752 CE LYS A 403 -21.408 -0.122 -3.120 1.00 0.00 C ATOM 753 NZ LYS A 403 -22.322 1.047 -3.000 1.00 0.00 N ATOM 0 H LYS A 403 -17.154 -3.368 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.649 -2.073 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.011 -0.749 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.422 0.108 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.981 -1.295 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.641 -1.964 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.271 0.322 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.601 0.999 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.221 -0.330 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.891 -1.005 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -23.212 0.844 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -22.521 1.230 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.872 1.884 -3.422 1.00 0.00 H new ATOM 767 N CYS A 404 -14.592 -0.995 -2.283 1.00 0.00 N ATOM 768 CA CYS A 404 -13.272 -0.544 -1.843 1.00 0.00 C ATOM 769 C CYS A 404 -12.986 0.843 -2.416 1.00 0.00 C ATOM 770 O CYS A 404 -12.122 1.002 -3.278 1.00 0.00 O ATOM 771 CB CYS A 404 -12.185 -1.526 -2.298 1.00 0.00 C ATOM 772 SG CYS A 404 -10.499 -1.038 -1.811 1.00 0.00 S ATOM 0 H CYS A 404 -14.773 -0.842 -3.275 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.265 -0.498 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.402 -2.510 -1.883 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.226 -1.621 -3.383 1.00 0.00 H new ATOM 777 N THR A 405 -13.737 1.838 -1.951 1.00 0.00 N ATOM 778 CA THR A 405 -13.581 3.208 -2.442 1.00 0.00 C ATOM 779 C THR A 405 -12.547 4.000 -1.648 1.00 0.00 C ATOM 780 O THR A 405 -12.541 3.980 -0.419 1.00 0.00 O ATOM 781 CB THR A 405 -14.921 3.967 -2.421 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.464 3.972 -1.096 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.916 3.331 -3.384 1.00 0.00 C ATOM 0 H THR A 405 -14.457 1.724 -1.238 1.00 0.00 H new ATOM 0 HA THR A 405 -13.228 3.118 -3.469 1.00 0.00 H new ATOM 0 HB THR A 405 -14.737 4.994 -2.738 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.315 4.458 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.856 3.883 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.512 3.359 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.093 2.296 -3.093 1.00 0.00 H new ATOM 791 N LEU A 406 -11.682 4.707 -2.371 1.00 0.00 N ATOM 792 CA LEU A 406 -10.638 5.525 -1.766 1.00 0.00 C ATOM 793 C LEU A 406 -11.238 6.571 -0.839 1.00 0.00 C ATOM 794 O LEU A 406 -12.300 7.127 -1.114 1.00 0.00 O ATOM 795 CB LEU A 406 -9.811 6.203 -2.865 1.00 0.00 C ATOM 796 CG LEU A 406 -8.548 6.942 -2.407 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.881 8.291 -1.790 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.757 6.089 -1.431 1.00 0.00 C ATOM 0 H LEU A 406 -11.686 4.728 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.990 4.880 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.519 5.444 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.452 6.913 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.934 7.126 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.961 8.785 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.394 8.911 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.527 8.146 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.864 6.629 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.373 5.867 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.465 5.157 -1.916 1.00 0.00 H new ATOM 810 N ASP A 407 -10.542 6.837 0.257 1.00 0.00 N ATOM 811 CA ASP A 407 -10.995 7.824 1.228 1.00 0.00 C ATOM 812 C ASP A 407 -9.947 8.919 1.392 1.00 0.00 C ATOM 813 O ASP A 407 -8.772 8.633 1.621 1.00 0.00 O ATOM 814 CB ASP A 407 -11.277 7.153 2.573 1.00 0.00 C ATOM 815 CG ASP A 407 -11.942 8.090 3.563 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.337 9.127 3.899 1.00 0.00 O ATOM 817 OD2 ASP A 407 -13.072 7.784 4.001 1.00 0.00 O ATOM 0 H ASP A 407 -9.661 6.383 0.497 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.918 8.275 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.916 6.284 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.341 6.788 2.996 1.00 0.00 H new ATOM 822 N LYS A 408 -10.372 10.173 1.262 1.00 0.00 N ATOM 823 CA LYS A 408 -9.458 11.304 1.387 1.00 0.00 C ATOM 824 C LYS A 408 -8.921 11.427 2.808 1.00 0.00 C ATOM 825 O LYS A 408 -7.726 11.634 3.011 1.00 0.00 O ATOM 826 CB LYS A 408 -10.147 12.604 0.965 1.00 0.00 C ATOM 827 CG LYS A 408 -11.408 12.923 1.757 1.00 0.00 C ATOM 828 CD LYS A 408 -12.026 14.242 1.321 1.00 0.00 C ATOM 829 CE LYS A 408 -12.458 14.209 -0.138 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.478 13.154 -0.394 1.00 0.00 N ATOM 0 H LYS A 408 -11.340 10.431 1.071 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.614 11.123 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.443 13.429 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.401 12.541 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.133 12.120 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.169 12.966 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.888 14.465 1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.306 15.047 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.864 15.181 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.588 14.033 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.893 13.294 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.028 12.218 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.227 13.213 0.325 1.00 0.00 H new ATOM 844 N GLU A 409 -9.807 11.299 3.789 1.00 0.00 N ATOM 845 CA GLU A 409 -9.421 11.397 5.188 1.00 0.00 C ATOM 846 C GLU A 409 -8.389 10.327 5.537 1.00 0.00 C ATOM 847 O GLU A 409 -7.370 10.612 6.169 1.00 0.00 O ATOM 848 CB GLU A 409 -10.660 11.259 6.079 1.00 0.00 C ATOM 849 CG GLU A 409 -10.413 11.577 7.545 1.00 0.00 C ATOM 850 CD GLU A 409 -9.538 10.550 8.237 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.932 9.365 8.276 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.459 10.931 8.738 1.00 0.00 O ATOM 0 H GLU A 409 -10.801 11.126 3.638 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.968 12.373 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.440 11.920 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -11.039 10.240 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.944 12.558 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.370 11.639 8.063 1.00 0.00 H new ATOM 859 N GLU A 410 -8.658 9.096 5.113 1.00 0.00 N ATOM 860 CA GLU A 410 -7.754 7.984 5.376 1.00 0.00 C ATOM 861 C GLU A 410 -6.432 8.192 4.646 1.00 0.00 C ATOM 862 O GLU A 410 -5.361 8.018 5.226 1.00 0.00 O ATOM 863 CB GLU A 410 -8.397 6.662 4.953 1.00 0.00 C ATOM 864 CG GLU A 410 -7.555 5.443 5.284 1.00 0.00 C ATOM 865 CD GLU A 410 -8.263 4.144 4.956 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.640 3.955 3.782 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.442 3.316 5.874 1.00 0.00 O ATOM 0 H GLU A 410 -9.494 8.844 4.586 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.555 7.943 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.367 6.567 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.582 6.685 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.617 5.492 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.301 5.457 6.344 1.00 0.00 H new ATOM 874 N ALA A 411 -6.518 8.580 3.376 1.00 0.00 N ATOM 875 CA ALA A 411 -5.327 8.831 2.571 1.00 0.00 C ATOM 876 C ALA A 411 -4.414 9.831 3.267 1.00 0.00 C ATOM 877 O ALA A 411 -3.194 9.674 3.274 1.00 0.00 O ATOM 878 CB ALA A 411 -5.718 9.340 1.192 1.00 0.00 C ATOM 0 H ALA A 411 -7.399 8.727 2.883 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.785 7.893 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.819 9.523 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.335 8.594 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.281 10.268 1.293 1.00 0.00 H new ATOM 884 N LYS A 412 -5.019 10.853 3.864 1.00 0.00 N ATOM 885 CA LYS A 412 -4.271 11.876 4.582 1.00 0.00 C ATOM 886 C LYS A 412 -3.501 11.256 5.743 1.00 0.00 C ATOM 887 O LYS A 412 -2.336 11.574 5.972 1.00 0.00 O ATOM 888 CB LYS A 412 -5.220 12.956 5.104 1.00 0.00 C ATOM 889 CG LYS A 412 -5.869 13.780 4.005 1.00 0.00 C ATOM 890 CD LYS A 412 -6.970 14.670 4.558 1.00 0.00 C ATOM 891 CE LYS A 412 -7.531 15.596 3.491 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.089 14.841 2.335 1.00 0.00 N ATOM 0 H LYS A 412 -6.029 10.994 3.864 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.560 12.331 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -6.000 12.484 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.669 13.622 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.114 14.394 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.282 13.116 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.771 14.050 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.579 15.262 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.311 16.221 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.745 16.265 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.595 15.495 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.314 14.385 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.748 14.114 2.680 1.00 0.00 H new