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 HE2:sc= 0.129 K(o=0.27,f=-0.58) USER MOD Set 1.2: A 405 THR OG1 : rot -85:sc= 0.137 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot -172:sc= 0.00522 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.49 F(o=-5.7!,f=-1.5) USER MOD Single : A 383 LYS NZ :NH3+ -176:sc= 0.0239 (180deg=0.0176) USER MOD Single : A 384 LYS NZ :NH3+ -128:sc= -0.0187 (180deg=-1.94!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.063) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -165:sc= -0.0249 (180deg=-0.243) USER MOD Single : A 397 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.2!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.622 F(o=-4.2!,f=-0.62) USER MOD Single : A 402 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.304) USER MOD Single : A 403 LYS NZ :NH3+ -168:sc= -0.0333 (180deg=-0.184) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ -171:sc=-0.00976 (180deg=-0.0986) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.377 5.595 -3.425 1.00 0.00 N ATOM 340 CA GLU A 376 -4.076 5.399 -4.688 1.00 0.00 C ATOM 341 C GLU A 376 -5.074 6.527 -4.941 1.00 0.00 C ATOM 342 O GLU A 376 -4.863 7.661 -4.511 1.00 0.00 O ATOM 343 CB GLU A 376 -4.786 4.043 -4.671 1.00 0.00 C ATOM 344 CG GLU A 376 -3.865 2.885 -4.322 1.00 0.00 C ATOM 345 CD GLU A 376 -2.757 2.696 -5.340 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.074 2.449 -6.524 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.572 2.795 -4.956 1.00 0.00 O ATOM 0 HA GLU A 376 -3.349 5.413 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.603 4.078 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.231 3.862 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.426 3.058 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.450 1.968 -4.252 1.00 0.00 H new ATOM 354 N THR A 377 -6.156 6.210 -5.645 1.00 0.00 N ATOM 355 CA THR A 377 -7.186 7.191 -5.965 1.00 0.00 C ATOM 356 C THR A 377 -8.557 6.533 -5.996 1.00 0.00 C ATOM 357 O THR A 377 -8.664 5.315 -6.135 1.00 0.00 O ATOM 358 CB THR A 377 -6.916 7.863 -7.323 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.943 6.883 -8.368 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.567 8.565 -7.319 1.00 0.00 C ATOM 0 H THR A 377 -6.342 5.275 -6.007 1.00 0.00 H new ATOM 0 HA THR A 377 -7.164 7.953 -5.186 1.00 0.00 H new ATOM 0 HB THR A 377 -7.696 8.604 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.772 7.318 -9.229 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.397 9.033 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.556 9.328 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.779 7.838 -7.124 1.00 0.00 H new ATOM 368 N GLU A 378 -9.603 7.341 -5.843 1.00 0.00 N ATOM 369 CA GLU A 378 -10.970 6.830 -5.834 1.00 0.00 C ATOM 370 C GLU A 378 -11.207 5.880 -6.998 1.00 0.00 C ATOM 371 O GLU A 378 -11.805 4.818 -6.833 1.00 0.00 O ATOM 372 CB GLU A 378 -11.970 7.987 -5.891 1.00 0.00 C ATOM 373 CG GLU A 378 -13.421 7.544 -5.787 1.00 0.00 C ATOM 374 CD GLU A 378 -14.391 8.706 -5.861 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.384 9.422 -6.885 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.161 8.899 -4.896 1.00 0.00 O ATOM 0 H GLU A 378 -9.530 8.351 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.116 6.277 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.753 8.684 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.831 8.531 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.641 6.840 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.568 7.012 -4.847 1.00 0.00 H new ATOM 383 N GLY A 379 -10.732 6.267 -8.172 1.00 0.00 N ATOM 384 CA GLY A 379 -10.901 5.436 -9.346 1.00 0.00 C ATOM 385 C GLY A 379 -10.199 4.101 -9.224 1.00 0.00 C ATOM 386 O GLY A 379 -10.722 3.077 -9.660 1.00 0.00 O ATOM 0 H GLY A 379 -10.232 7.142 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.964 5.268 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.517 5.965 -10.218 1.00 0.00 H new ATOM 390 N SER A 380 -9.011 4.110 -8.633 1.00 0.00 N ATOM 391 CA SER A 380 -8.239 2.886 -8.462 1.00 0.00 C ATOM 392 C SER A 380 -8.884 1.956 -7.439 1.00 0.00 C ATOM 393 O SER A 380 -9.064 0.768 -7.698 1.00 0.00 O ATOM 394 CB SER A 380 -6.815 3.217 -8.036 1.00 0.00 C ATOM 395 OG SER A 380 -6.052 2.039 -7.842 1.00 0.00 O ATOM 0 H SER A 380 -8.562 4.949 -8.265 1.00 0.00 H new ATOM 0 HA SER A 380 -8.219 2.370 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.341 3.840 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.834 3.797 -7.114 1.00 0.00 H new ATOM 0 HG SER A 380 -5.186 2.272 -7.447 1.00 0.00 H new ATOM 401 N CYS A 381 -9.219 2.501 -6.274 1.00 0.00 N ATOM 402 CA CYS A 381 -9.828 1.720 -5.199 1.00 0.00 C ATOM 403 C CYS A 381 -11.062 0.961 -5.674 1.00 0.00 C ATOM 404 O CYS A 381 -11.250 -0.205 -5.330 1.00 0.00 O ATOM 405 CB CYS A 381 -10.197 2.628 -4.028 1.00 0.00 C ATOM 406 SG CYS A 381 -8.776 3.484 -3.276 1.00 0.00 S ATOM 0 H CYS A 381 -9.079 3.486 -6.048 1.00 0.00 H new ATOM 0 HA CYS A 381 -9.091 0.986 -4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.916 3.372 -4.371 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.695 2.032 -3.263 1.00 0.00 H new ATOM 411 N ASN A 382 -11.902 1.626 -6.461 1.00 0.00 N ATOM 412 CA ASN A 382 -13.121 1.005 -6.977 1.00 0.00 C ATOM 413 C ASN A 382 -12.811 -0.316 -7.668 1.00 0.00 C ATOM 414 O ASN A 382 -13.635 -1.231 -7.682 1.00 0.00 O ATOM 415 CB ASN A 382 -13.822 1.939 -7.964 1.00 0.00 C ATOM 416 CG ASN A 382 -14.196 3.272 -7.350 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.895 3.446 -6.069 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.754 4.141 -8.020 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.763 2.593 -6.756 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.779 0.814 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.170 2.109 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.722 1.453 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.968 3.969 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.002 5.034 -7.593 1.00 0.00 H new ATOM 425 N LYS A 383 -11.623 -0.401 -8.251 1.00 0.00 N ATOM 426 CA LYS A 383 -11.203 -1.599 -8.959 1.00 0.00 C ATOM 427 C LYS A 383 -10.566 -2.605 -8.008 1.00 0.00 C ATOM 428 O LYS A 383 -10.679 -3.816 -8.201 1.00 0.00 O ATOM 429 CB LYS A 383 -10.220 -1.223 -10.068 1.00 0.00 C ATOM 430 CG LYS A 383 -10.697 -0.067 -10.936 1.00 0.00 C ATOM 431 CD LYS A 383 -12.059 -0.352 -11.548 1.00 0.00 C ATOM 432 CE LYS A 383 -12.434 0.689 -12.591 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.504 2.058 -12.014 1.00 0.00 N ATOM 0 H LYS A 383 -10.932 0.349 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.084 -2.067 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.262 -0.959 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.047 -2.094 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.750 0.842 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.972 0.116 -11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.053 -1.341 -12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.815 -0.369 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.702 0.673 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.398 0.431 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.828 2.726 -12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.171 2.065 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.561 2.342 -11.679 1.00 0.00 H new ATOM 447 N LYS A 384 -9.888 -2.096 -6.986 1.00 0.00 N ATOM 448 CA LYS A 384 -9.222 -2.942 -6.011 1.00 0.00 C ATOM 449 C LYS A 384 -10.212 -3.821 -5.253 1.00 0.00 C ATOM 450 O LYS A 384 -11.162 -3.326 -4.645 1.00 0.00 O ATOM 451 CB LYS A 384 -8.438 -2.064 -5.036 1.00 0.00 C ATOM 452 CG LYS A 384 -7.064 -1.628 -5.540 1.00 0.00 C ATOM 453 CD LYS A 384 -7.078 -1.163 -6.990 1.00 0.00 C ATOM 454 CE LYS A 384 -6.744 -2.294 -7.952 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.744 -1.837 -9.370 1.00 0.00 N ATOM 0 H LYS A 384 -9.787 -1.096 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.541 -3.607 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.028 -1.175 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.312 -2.607 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.692 -0.820 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.366 -2.459 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.061 -0.759 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.360 -0.353 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.766 -2.705 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.468 -3.100 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.352 -2.463 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.106 -0.863 -9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.774 -1.866 -9.744 1.00 0.00 H new ATOM 469 N ASP A 385 -9.972 -5.131 -5.282 1.00 0.00 N ATOM 470 CA ASP A 385 -10.831 -6.080 -4.586 1.00 0.00 C ATOM 471 C ASP A 385 -10.581 -6.011 -3.083 1.00 0.00 C ATOM 472 O ASP A 385 -9.941 -5.079 -2.604 1.00 0.00 O ATOM 473 CB ASP A 385 -10.581 -7.500 -5.097 1.00 0.00 C ATOM 474 CG ASP A 385 -10.900 -7.651 -6.573 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.317 -6.653 -7.198 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.733 -8.769 -7.105 1.00 0.00 O ATOM 0 H ASP A 385 -9.190 -5.556 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.870 -5.817 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.538 -7.766 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.188 -8.201 -4.524 1.00 0.00 H new ATOM 481 N GLN A 386 -11.079 -6.996 -2.345 1.00 0.00 N ATOM 482 CA GLN A 386 -10.899 -7.023 -0.897 1.00 0.00 C ATOM 483 C GLN A 386 -9.423 -6.912 -0.524 1.00 0.00 C ATOM 484 O GLN A 386 -9.021 -6.000 0.200 1.00 0.00 O ATOM 485 CB GLN A 386 -11.488 -8.310 -0.313 1.00 0.00 C ATOM 486 CG GLN A 386 -11.359 -8.410 1.198 1.00 0.00 C ATOM 487 CD GLN A 386 -11.974 -9.680 1.753 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.566 -10.787 1.401 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.961 -9.524 2.627 1.00 0.00 N ATOM 0 H GLN A 386 -11.608 -7.783 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.424 -6.165 -0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.542 -8.372 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.991 -9.166 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.305 -8.371 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.840 -7.547 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.266 -8.587 2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.414 -10.341 3.036 1.00 0.00 H new ATOM 498 N ASN A 387 -8.622 -7.842 -1.029 1.00 0.00 N ATOM 499 CA ASN A 387 -7.193 -7.857 -0.758 1.00 0.00 C ATOM 500 C ASN A 387 -6.495 -6.653 -1.387 1.00 0.00 C ATOM 501 O ASN A 387 -5.417 -6.251 -0.949 1.00 0.00 O ATOM 502 CB ASN A 387 -6.583 -9.154 -1.287 1.00 0.00 C ATOM 503 CG ASN A 387 -5.078 -9.186 -1.144 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.542 -9.093 -0.039 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.387 -9.319 -2.266 1.00 0.00 N ATOM 0 H ASN A 387 -8.942 -8.600 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.049 -7.800 0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.014 -10.000 -0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.848 -9.274 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.368 -9.348 -2.237 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.874 -9.393 -3.159 1.00 0.00 H new ATOM 512 N GLU A 388 -7.109 -6.089 -2.422 1.00 0.00 N ATOM 513 CA GLU A 388 -6.540 -4.942 -3.119 1.00 0.00 C ATOM 514 C GLU A 388 -6.964 -3.626 -2.479 1.00 0.00 C ATOM 515 O GLU A 388 -6.333 -2.595 -2.707 1.00 0.00 O ATOM 516 CB GLU A 388 -6.937 -4.970 -4.593 1.00 0.00 C ATOM 517 CG GLU A 388 -6.464 -6.214 -5.327 1.00 0.00 C ATOM 518 CD GLU A 388 -6.868 -6.224 -6.790 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.514 -5.253 -7.235 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.538 -7.204 -7.489 1.00 0.00 O ATOM 0 H GLU A 388 -8.002 -6.409 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.455 -5.010 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.022 -4.904 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.528 -4.089 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.379 -6.282 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.873 -7.097 -4.836 1.00 0.00 H new ATOM 527 N CYS A 389 -8.029 -3.658 -1.679 1.00 0.00 N ATOM 528 CA CYS A 389 -8.502 -2.448 -1.018 1.00 0.00 C ATOM 529 C CYS A 389 -7.373 -1.880 -0.167 1.00 0.00 C ATOM 530 O CYS A 389 -7.100 -2.360 0.934 1.00 0.00 O ATOM 531 CB CYS A 389 -9.739 -2.749 -0.167 1.00 0.00 C ATOM 532 SG CYS A 389 -10.751 -1.282 0.230 1.00 0.00 S ATOM 0 H CYS A 389 -8.572 -4.497 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.793 -1.709 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.361 -3.473 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.420 -3.219 0.763 1.00 0.00 H new ATOM 537 N LYS A 390 -6.692 -0.884 -0.718 1.00 0.00 N ATOM 538 CA LYS A 390 -5.549 -0.263 -0.059 1.00 0.00 C ATOM 539 C LYS A 390 -5.946 0.568 1.157 1.00 0.00 C ATOM 540 O LYS A 390 -7.109 0.930 1.333 1.00 0.00 O ATOM 541 CB LYS A 390 -4.789 0.589 -1.066 1.00 0.00 C ATOM 542 CG LYS A 390 -4.221 -0.216 -2.228 1.00 0.00 C ATOM 543 CD LYS A 390 -3.074 -1.108 -1.783 1.00 0.00 C ATOM 544 CE LYS A 390 -2.511 -1.906 -2.948 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.374 -2.774 -2.532 1.00 0.00 N ATOM 0 H LYS A 390 -6.914 -0.485 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.908 -1.062 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.455 1.358 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.974 1.102 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -5.009 -0.828 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.874 0.463 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.286 -0.498 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.421 -1.790 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.299 -2.523 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.178 -1.222 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.020 -3.301 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.611 -2.184 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.697 -3.444 -1.805 1.00 0.00 H new ATOM 559 N SER A 391 -4.951 0.851 1.999 1.00 0.00 N ATOM 560 CA SER A 391 -5.145 1.622 3.218 1.00 0.00 C ATOM 561 C SER A 391 -5.853 2.955 2.959 1.00 0.00 C ATOM 562 O SER A 391 -6.799 3.296 3.670 1.00 0.00 O ATOM 563 CB SER A 391 -3.793 1.865 3.887 1.00 0.00 C ATOM 564 OG SER A 391 -3.162 0.641 4.220 1.00 0.00 O ATOM 0 H SER A 391 -3.988 0.549 1.851 1.00 0.00 H new ATOM 0 HA SER A 391 -5.790 1.042 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.151 2.439 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.932 2.463 4.788 1.00 0.00 H new ATOM 0 HG SER A 391 -2.298 0.823 4.645 1.00 0.00 H new ATOM 570 N PRO A 392 -5.430 3.730 1.936 1.00 0.00 N ATOM 571 CA PRO A 392 -6.065 5.008 1.614 1.00 0.00 C ATOM 572 C PRO A 392 -7.522 4.808 1.263 1.00 0.00 C ATOM 573 O PRO A 392 -8.372 5.652 1.547 1.00 0.00 O ATOM 574 CB PRO A 392 -5.283 5.496 0.390 1.00 0.00 C ATOM 575 CG PRO A 392 -3.991 4.785 0.463 1.00 0.00 C ATOM 576 CD PRO A 392 -4.337 3.435 0.997 1.00 0.00 C ATOM 0 HA PRO A 392 -6.045 5.713 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.811 5.264 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.142 6.577 0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.520 4.715 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.289 5.303 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.655 2.756 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.489 2.967 1.497 1.00 0.00 H new ATOM 584 N CYS A 393 -7.795 3.671 0.639 1.00 0.00 N ATOM 585 CA CYS A 393 -9.148 3.327 0.233 1.00 0.00 C ATOM 586 C CYS A 393 -10.040 3.112 1.451 1.00 0.00 C ATOM 587 O CYS A 393 -9.696 3.502 2.567 1.00 0.00 O ATOM 588 CB CYS A 393 -9.133 2.057 -0.619 1.00 0.00 C ATOM 589 SG CYS A 393 -7.978 2.100 -2.028 1.00 0.00 S ATOM 0 H CYS A 393 -7.094 2.969 0.403 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.548 4.154 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.876 1.211 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.139 1.877 -0.997 1.00 0.00 H new ATOM 594 N LYS A 394 -11.180 2.473 1.223 1.00 0.00 N ATOM 595 CA LYS A 394 -12.131 2.176 2.285 1.00 0.00 C ATOM 596 C LYS A 394 -12.936 0.937 1.934 1.00 0.00 C ATOM 597 O LYS A 394 -13.665 0.913 0.942 1.00 0.00 O ATOM 598 CB LYS A 394 -13.067 3.365 2.525 1.00 0.00 C ATOM 599 CG LYS A 394 -12.416 4.516 3.273 1.00 0.00 C ATOM 600 CD LYS A 394 -12.014 4.119 4.685 1.00 0.00 C ATOM 601 CE LYS A 394 -13.228 3.786 5.534 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.130 4.959 5.703 1.00 0.00 N ATOM 0 H LYS A 394 -11.470 2.147 0.301 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.574 1.989 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.432 3.728 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.936 3.024 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.535 4.853 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.106 5.358 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -11.348 3.257 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.456 4.933 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.780 2.968 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.901 3.436 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.798 4.775 6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.564 5.803 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.659 5.120 4.822 1.00 0.00 H new ATOM 616 N TRP A 395 -12.786 -0.096 2.751 1.00 0.00 N ATOM 617 CA TRP A 395 -13.483 -1.352 2.527 1.00 0.00 C ATOM 618 C TRP A 395 -14.952 -1.243 2.916 1.00 0.00 C ATOM 619 O TRP A 395 -15.292 -0.658 3.945 1.00 0.00 O ATOM 620 CB TRP A 395 -12.811 -2.479 3.313 1.00 0.00 C ATOM 621 CG TRP A 395 -13.375 -3.836 3.013 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.801 -4.764 3.919 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.564 -4.421 1.717 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.250 -5.888 3.267 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.114 -5.702 1.916 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.325 -3.986 0.407 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.428 -6.549 0.856 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.637 -4.829 -0.641 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.184 -6.098 -0.412 1.00 0.00 C ATOM 0 H TRP A 395 -12.186 -0.088 3.576 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.431 -1.581 1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.744 -2.480 3.091 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.914 -2.279 4.380 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.787 -4.634 4.991 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.624 -6.724 3.716 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.904 -3.009 0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.850 -7.528 1.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.456 -4.504 -1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.418 -6.733 -1.254 1.00 0.00 H new ATOM 640 N HIS A 396 -15.817 -1.818 2.089 1.00 0.00 N ATOM 641 CA HIS A 396 -17.251 -1.796 2.344 1.00 0.00 C ATOM 642 C HIS A 396 -17.807 -3.212 2.407 1.00 0.00 C ATOM 643 O HIS A 396 -17.917 -3.898 1.384 1.00 0.00 O ATOM 644 CB HIS A 396 -17.976 -0.996 1.259 1.00 0.00 C ATOM 645 CG HIS A 396 -17.622 0.459 1.251 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.819 1.288 2.335 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.082 1.235 0.280 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.418 2.510 2.033 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.966 2.504 0.793 1.00 0.00 N ATOM 0 H HIS A 396 -15.549 -2.306 1.234 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.417 -1.313 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.740 -1.424 0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.052 -1.099 1.401 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.213 1.002 3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.796 0.916 -0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.454 3.367 2.689 1.00 0.00 H new ATOM 658 N ASN A 397 -18.150 -3.637 3.621 1.00 0.00 N ATOM 659 CA ASN A 397 -18.696 -4.968 3.855 1.00 0.00 C ATOM 660 C ASN A 397 -20.203 -4.990 3.621 1.00 0.00 C ATOM 661 O ASN A 397 -20.847 -3.943 3.557 1.00 0.00 O ATOM 662 CB ASN A 397 -18.381 -5.428 5.281 1.00 0.00 C ATOM 663 CG ASN A 397 -18.934 -4.487 6.335 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.145 -4.286 6.431 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.045 -3.904 7.130 1.00 0.00 N ATOM 0 H ASN A 397 -18.057 -3.071 4.464 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.229 -5.653 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.794 -6.425 5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.301 -5.508 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.356 -3.260 7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.051 -4.100 7.014 1.00 0.00 H new ATOM 672 N ASP A 398 -20.755 -6.194 3.492 1.00 0.00 N ATOM 673 CA ASP A 398 -22.186 -6.366 3.262 1.00 0.00 C ATOM 674 C ASP A 398 -22.619 -5.646 1.991 1.00 0.00 C ATOM 675 O ASP A 398 -23.782 -5.272 1.837 1.00 0.00 O ATOM 676 CB ASP A 398 -22.984 -5.842 4.459 1.00 0.00 C ATOM 677 CG ASP A 398 -22.637 -6.563 5.749 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.788 -7.479 5.709 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.215 -6.212 6.798 1.00 0.00 O ATOM 0 H ASP A 398 -20.230 -7.067 3.543 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.386 -7.431 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.793 -4.776 4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.050 -5.955 4.259 1.00 0.00 H new ATOM 684 N ALA A 399 -21.671 -5.465 1.078 1.00 0.00 N ATOM 685 CA ALA A 399 -21.939 -4.801 -0.190 1.00 0.00 C ATOM 686 C ALA A 399 -22.591 -5.766 -1.174 1.00 0.00 C ATOM 687 O ALA A 399 -22.391 -6.978 -1.086 1.00 0.00 O ATOM 688 CB ALA A 399 -20.653 -4.233 -0.771 1.00 0.00 C ATOM 0 H ALA A 399 -20.705 -5.771 1.195 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.631 -3.978 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.869 -3.740 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.227 -3.511 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.941 -5.041 -0.937 1.00 0.00 H new ATOM 694 N GLU A 400 -23.368 -5.225 -2.110 1.00 0.00 N ATOM 695 CA GLU A 400 -24.041 -6.043 -3.114 1.00 0.00 C ATOM 696 C GLU A 400 -23.051 -6.996 -3.772 1.00 0.00 C ATOM 697 O GLU A 400 -23.427 -8.060 -4.265 1.00 0.00 O ATOM 698 CB GLU A 400 -24.696 -5.157 -4.175 1.00 0.00 C ATOM 699 CG GLU A 400 -25.725 -4.189 -3.614 1.00 0.00 C ATOM 700 CD GLU A 400 -26.353 -3.320 -4.686 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.963 -3.878 -5.622 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.234 -2.079 -4.590 1.00 0.00 O ATOM 0 H GLU A 400 -23.546 -4.224 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.816 -6.627 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.921 -4.590 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.176 -5.792 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.507 -4.751 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.250 -3.552 -2.867 1.00 0.00 H new ATOM 709 N ASN A 401 -21.781 -6.603 -3.769 1.00 0.00 N ATOM 710 CA ASN A 401 -20.722 -7.411 -4.357 1.00 0.00 C ATOM 711 C ASN A 401 -19.350 -6.887 -3.941 1.00 0.00 C ATOM 712 O ASN A 401 -18.438 -6.788 -4.762 1.00 0.00 O ATOM 713 CB ASN A 401 -20.847 -7.417 -5.883 1.00 0.00 C ATOM 714 CG ASN A 401 -20.738 -6.031 -6.504 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.624 -4.998 -5.674 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.762 -5.891 -7.727 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.461 -5.724 -3.363 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.825 -8.433 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.070 -8.057 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.805 -7.857 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.851 -6.707 -8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.693 -4.959 -8.135 1.00 0.00 H new ATOM 723 N LYS A 402 -19.221 -6.548 -2.657 1.00 0.00 N ATOM 724 CA LYS A 402 -17.970 -6.022 -2.111 1.00 0.00 C ATOM 725 C LYS A 402 -17.635 -4.672 -2.738 1.00 0.00 C ATOM 726 O LYS A 402 -17.652 -4.526 -3.960 1.00 0.00 O ATOM 727 CB LYS A 402 -16.814 -7.006 -2.336 1.00 0.00 C ATOM 728 CG LYS A 402 -16.915 -8.285 -1.514 1.00 0.00 C ATOM 729 CD LYS A 402 -18.045 -9.185 -1.990 1.00 0.00 C ATOM 730 CE LYS A 402 -17.777 -9.730 -3.383 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.872 -10.624 -3.849 1.00 0.00 N ATOM 0 H LYS A 402 -19.973 -6.629 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.106 -5.888 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.776 -7.269 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.875 -6.507 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -15.971 -8.828 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.072 -8.030 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.170 -10.013 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.981 -8.626 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.663 -8.901 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -16.835 -10.279 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.892 -10.636 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.708 -11.588 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.783 -10.274 -3.489 1.00 0.00 H new ATOM 745 N LYS A 403 -17.340 -3.679 -1.900 1.00 0.00 N ATOM 746 CA LYS A 403 -17.021 -2.346 -2.403 1.00 0.00 C ATOM 747 C LYS A 403 -15.786 -1.756 -1.725 1.00 0.00 C ATOM 748 O LYS A 403 -15.495 -2.052 -0.569 1.00 0.00 O ATOM 749 CB LYS A 403 -18.213 -1.410 -2.210 1.00 0.00 C ATOM 750 CG LYS A 403 -19.468 -1.862 -2.941 1.00 0.00 C ATOM 751 CD LYS A 403 -19.261 -1.912 -4.449 1.00 0.00 C ATOM 752 CE LYS A 403 -18.934 -0.542 -5.020 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.031 0.436 -4.781 1.00 0.00 N ATOM 0 H LYS A 403 -17.315 -3.770 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.800 -2.446 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.432 -1.329 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.941 -0.413 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.762 -2.848 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.288 -1.182 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.453 -2.605 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.161 -2.299 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.013 -0.172 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.752 -0.629 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.866 1.289 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.941 0.010 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.053 0.693 -3.774 1.00 0.00 H new ATOM 767 N CYS A 404 -15.075 -0.909 -2.462 1.00 0.00 N ATOM 768 CA CYS A 404 -13.875 -0.248 -1.957 1.00 0.00 C ATOM 769 C CYS A 404 -13.691 1.094 -2.662 1.00 0.00 C ATOM 770 O CYS A 404 -13.714 1.163 -3.891 1.00 0.00 O ATOM 771 CB CYS A 404 -12.639 -1.134 -2.172 1.00 0.00 C ATOM 772 SG CYS A 404 -11.076 -0.402 -1.579 1.00 0.00 S ATOM 0 H CYS A 404 -15.312 -0.662 -3.423 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.992 -0.078 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.796 -2.086 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.544 -1.352 -3.236 1.00 0.00 H new ATOM 777 N THR A 405 -13.531 2.162 -1.882 1.00 0.00 N ATOM 778 CA THR A 405 -13.369 3.500 -2.444 1.00 0.00 C ATOM 779 C THR A 405 -12.313 4.304 -1.691 1.00 0.00 C ATOM 780 O THR A 405 -12.192 4.203 -0.471 1.00 0.00 O ATOM 781 CB THR A 405 -14.696 4.281 -2.425 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.167 4.417 -1.078 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.753 3.580 -3.267 1.00 0.00 C ATOM 0 H THR A 405 -13.510 2.126 -0.863 1.00 0.00 H new ATOM 0 HA THR A 405 -13.044 3.364 -3.475 1.00 0.00 H new ATOM 0 HB THR A 405 -14.514 5.269 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.683 3.622 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.680 4.152 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.406 3.505 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.930 2.580 -2.870 1.00 0.00 H new ATOM 791 N LEU A 406 -11.552 5.099 -2.436 1.00 0.00 N ATOM 792 CA LEU A 406 -10.500 5.925 -1.862 1.00 0.00 C ATOM 793 C LEU A 406 -11.075 6.969 -0.917 1.00 0.00 C ATOM 794 O LEU A 406 -12.146 7.527 -1.157 1.00 0.00 O ATOM 795 CB LEU A 406 -9.694 6.594 -2.975 1.00 0.00 C ATOM 796 CG LEU A 406 -8.379 7.252 -2.551 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.639 8.565 -1.837 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.569 6.307 -1.674 1.00 0.00 C ATOM 0 H LEU A 406 -11.647 5.188 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.837 5.282 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.473 5.846 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.321 7.352 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.798 7.468 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.690 9.015 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.171 9.243 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.243 8.382 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.637 6.791 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.143 6.056 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.346 5.396 -2.230 1.00 0.00 H new ATOM 810 N ASP A 407 -10.344 7.223 0.158 1.00 0.00 N ATOM 811 CA ASP A 407 -10.755 8.199 1.160 1.00 0.00 C ATOM 812 C ASP A 407 -9.643 9.211 1.423 1.00 0.00 C ATOM 813 O ASP A 407 -8.470 8.853 1.514 1.00 0.00 O ATOM 814 CB ASP A 407 -11.132 7.486 2.455 1.00 0.00 C ATOM 815 CG ASP A 407 -11.634 8.443 3.519 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.643 9.135 3.267 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.019 8.499 4.605 1.00 0.00 O ATOM 0 H ASP A 407 -9.456 6.764 0.361 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.623 8.738 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.902 6.743 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.264 6.947 2.835 1.00 0.00 H new ATOM 822 N LYS A 408 -10.025 10.480 1.536 1.00 0.00 N ATOM 823 CA LYS A 408 -9.070 11.557 1.778 1.00 0.00 C ATOM 824 C LYS A 408 -8.394 11.416 3.142 1.00 0.00 C ATOM 825 O LYS A 408 -7.181 11.587 3.263 1.00 0.00 O ATOM 826 CB LYS A 408 -9.775 12.912 1.693 1.00 0.00 C ATOM 827 CG LYS A 408 -10.433 13.180 0.348 1.00 0.00 C ATOM 828 CD LYS A 408 -9.409 13.293 -0.773 1.00 0.00 C ATOM 829 CE LYS A 408 -8.494 14.491 -0.576 1.00 0.00 C ATOM 830 NZ LYS A 408 -7.503 14.623 -1.680 1.00 0.00 N ATOM 0 H LYS A 408 -10.994 10.789 1.463 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.299 11.493 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.533 12.966 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.051 13.701 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.133 12.377 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.012 14.102 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.812 12.382 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.924 13.381 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.094 15.399 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -7.968 14.393 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -6.899 15.452 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -6.913 13.767 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.004 14.742 -2.584 1.00 0.00 H new ATOM 844 N GLU A 409 -9.189 11.125 4.167 1.00 0.00 N ATOM 845 CA GLU A 409 -8.678 10.981 5.525 1.00 0.00 C ATOM 846 C GLU A 409 -7.655 9.852 5.631 1.00 0.00 C ATOM 847 O GLU A 409 -6.583 10.026 6.212 1.00 0.00 O ATOM 848 CB GLU A 409 -9.838 10.728 6.490 1.00 0.00 C ATOM 849 CG GLU A 409 -9.402 10.494 7.925 1.00 0.00 C ATOM 850 CD GLU A 409 -8.752 11.712 8.557 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.671 12.763 7.887 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.329 11.615 9.729 1.00 0.00 O ATOM 0 H GLU A 409 -10.196 10.984 4.081 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.173 11.909 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.515 11.581 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.402 9.861 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.269 10.203 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.701 9.660 7.954 1.00 0.00 H new ATOM 859 N GLU A 410 -7.994 8.692 5.082 1.00 0.00 N ATOM 860 CA GLU A 410 -7.107 7.536 5.134 1.00 0.00 C ATOM 861 C GLU A 410 -5.837 7.763 4.317 1.00 0.00 C ATOM 862 O GLU A 410 -4.736 7.475 4.781 1.00 0.00 O ATOM 863 CB GLU A 410 -7.835 6.288 4.630 1.00 0.00 C ATOM 864 CG GLU A 410 -9.041 5.903 5.474 1.00 0.00 C ATOM 865 CD GLU A 410 -8.670 5.567 6.905 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.873 4.626 7.106 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.178 6.243 7.824 1.00 0.00 O ATOM 0 H GLU A 410 -8.876 8.527 4.596 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.815 7.390 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.160 6.457 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.135 5.453 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.758 6.724 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.538 5.045 5.021 1.00 0.00 H new ATOM 874 N ALA A 411 -5.997 8.265 3.098 1.00 0.00 N ATOM 875 CA ALA A 411 -4.861 8.514 2.214 1.00 0.00 C ATOM 876 C ALA A 411 -3.864 9.494 2.822 1.00 0.00 C ATOM 877 O ALA A 411 -2.659 9.238 2.829 1.00 0.00 O ATOM 878 CB ALA A 411 -5.348 9.024 0.866 1.00 0.00 C ATOM 0 H ALA A 411 -6.903 8.508 2.697 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.340 7.566 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.493 9.206 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.000 8.279 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.901 9.953 1.007 1.00 0.00 H new ATOM 884 N LYS A 412 -4.363 10.618 3.323 1.00 0.00 N ATOM 885 CA LYS A 412 -3.499 11.628 3.922 1.00 0.00 C ATOM 886 C LYS A 412 -2.756 11.062 5.128 1.00 0.00 C ATOM 887 O LYS A 412 -1.603 11.414 5.377 1.00 0.00 O ATOM 888 CB LYS A 412 -4.310 12.866 4.322 1.00 0.00 C ATOM 889 CG LYS A 412 -5.281 12.627 5.466 1.00 0.00 C ATOM 890 CD LYS A 412 -6.146 13.852 5.734 1.00 0.00 C ATOM 891 CE LYS A 412 -5.305 15.078 6.062 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.450 14.864 7.261 1.00 0.00 N ATOM 0 H LYS A 412 -5.356 10.852 3.327 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.761 11.926 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.622 13.663 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.867 13.218 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.919 11.775 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -4.725 12.369 6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.764 14.059 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.824 13.644 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.675 15.325 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.960 15.932 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.011 15.765 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -5.033 14.506 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -3.707 14.171 7.038 1.00 0.00 H new