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 :FLIP amide:sc= 0.0331 F(o=-8!,f=0.87) USER MOD Set 1.2: A 402 LYS NZ :NH3+ -169:sc= 0.833 (180deg=0) USER MOD Set 2.1: A 396 HIS : no HD1:sc= -1.86! K(o=-1.6!,f=-4.1) USER MOD Set 2.2: A 405 THR OG1 : rot 147:sc= 0.305 USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.895 F(o=-3.6!,f=-0.9) USER MOD Single : A 383 LYS NZ :NH3+ 164:sc= -0.0633 (180deg=-0.333) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.018) USER MOD Single : A 390 LYS NZ :NH3+ -166:sc= -0.0397 (180deg=-0.252) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.589 F(o=-4.3!,f=-0.59) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0304 (180deg=-0.243) USER MOD Single : A 408 LYS NZ :NH3+ 160:sc= 0.0122 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ -151:sc= -3.65! (180deg=-5.32!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.119 5.712 -3.132 1.00 0.00 N ATOM 340 CA GLU A 376 -3.777 5.664 -4.427 1.00 0.00 C ATOM 341 C GLU A 376 -4.856 6.737 -4.531 1.00 0.00 C ATOM 342 O GLU A 376 -4.723 7.822 -3.964 1.00 0.00 O ATOM 343 CB GLU A 376 -4.374 4.272 -4.639 1.00 0.00 C ATOM 344 CG GLU A 376 -3.370 3.147 -4.447 1.00 0.00 C ATOM 345 CD GLU A 376 -2.246 3.176 -5.468 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.488 4.168 -5.494 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.125 2.203 -6.243 1.00 0.00 O ATOM 0 HA GLU A 376 -3.042 5.862 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.203 4.131 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.787 4.212 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.946 3.213 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.888 2.190 -4.511 1.00 0.00 H new ATOM 354 N THR A 377 -5.920 6.430 -5.264 1.00 0.00 N ATOM 355 CA THR A 377 -7.020 7.360 -5.454 1.00 0.00 C ATOM 356 C THR A 377 -8.342 6.616 -5.559 1.00 0.00 C ATOM 357 O THR A 377 -8.365 5.409 -5.800 1.00 0.00 O ATOM 358 CB THR A 377 -6.817 8.221 -6.717 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.758 7.383 -7.878 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.539 9.038 -6.610 1.00 0.00 C ATOM 0 H THR A 377 -6.042 5.536 -5.739 1.00 0.00 H new ATOM 0 HA THR A 377 -7.042 8.016 -4.584 1.00 0.00 H new ATOM 0 HB THR A 377 -7.662 8.904 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.631 7.938 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.414 9.638 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.598 9.695 -5.742 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.687 8.368 -6.500 1.00 0.00 H new ATOM 368 N GLU A 378 -9.439 7.340 -5.362 1.00 0.00 N ATOM 369 CA GLU A 378 -10.772 6.750 -5.420 1.00 0.00 C ATOM 370 C GLU A 378 -10.915 5.845 -6.635 1.00 0.00 C ATOM 371 O GLU A 378 -11.482 4.756 -6.550 1.00 0.00 O ATOM 372 CB GLU A 378 -11.835 7.848 -5.463 1.00 0.00 C ATOM 373 CG GLU A 378 -13.258 7.317 -5.456 1.00 0.00 C ATOM 374 CD GLU A 378 -14.293 8.424 -5.518 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.308 9.275 -4.603 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.087 8.444 -6.482 1.00 0.00 O ATOM 0 H GLU A 378 -9.431 8.340 -5.160 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.914 6.148 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.698 8.508 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.686 8.452 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.396 6.647 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.417 6.726 -4.554 1.00 0.00 H new ATOM 383 N GLY A 379 -10.397 6.307 -7.765 1.00 0.00 N ATOM 384 CA GLY A 379 -10.475 5.536 -8.989 1.00 0.00 C ATOM 385 C GLY A 379 -9.752 4.207 -8.901 1.00 0.00 C ATOM 386 O GLY A 379 -10.238 3.198 -9.411 1.00 0.00 O ATOM 0 H GLY A 379 -9.923 7.205 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.522 5.358 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.052 6.120 -9.807 1.00 0.00 H new ATOM 390 N SER A 380 -8.589 4.204 -8.262 1.00 0.00 N ATOM 391 CA SER A 380 -7.801 2.984 -8.123 1.00 0.00 C ATOM 392 C SER A 380 -8.491 1.967 -7.217 1.00 0.00 C ATOM 393 O SER A 380 -8.603 0.788 -7.559 1.00 0.00 O ATOM 394 CB SER A 380 -6.416 3.310 -7.578 1.00 0.00 C ATOM 395 OG SER A 380 -5.712 4.175 -8.451 1.00 0.00 O ATOM 0 H SER A 380 -8.171 5.029 -7.833 1.00 0.00 H new ATOM 0 HA SER A 380 -7.705 2.539 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.509 3.776 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.850 2.388 -7.441 1.00 0.00 H new ATOM 0 HG SER A 380 -4.828 4.369 -8.076 1.00 0.00 H new ATOM 401 N CYS A 381 -8.943 2.429 -6.056 1.00 0.00 N ATOM 402 CA CYS A 381 -9.608 1.564 -5.087 1.00 0.00 C ATOM 403 C CYS A 381 -10.831 0.876 -5.687 1.00 0.00 C ATOM 404 O CYS A 381 -11.033 -0.324 -5.493 1.00 0.00 O ATOM 405 CB CYS A 381 -10.016 2.372 -3.857 1.00 0.00 C ATOM 406 SG CYS A 381 -8.615 3.139 -2.986 1.00 0.00 S ATOM 0 H CYS A 381 -8.861 3.402 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.900 0.788 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.714 3.152 -4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.549 1.720 -3.165 1.00 0.00 H new ATOM 411 N ASN A 382 -11.646 1.639 -6.407 1.00 0.00 N ATOM 412 CA ASN A 382 -12.852 1.097 -7.029 1.00 0.00 C ATOM 413 C ASN A 382 -12.524 -0.124 -7.876 1.00 0.00 C ATOM 414 O ASN A 382 -13.314 -1.065 -7.964 1.00 0.00 O ATOM 415 CB ASN A 382 -13.530 2.159 -7.900 1.00 0.00 C ATOM 416 CG ASN A 382 -13.941 3.390 -7.114 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.692 3.378 -5.809 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.480 4.344 -7.675 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.495 2.634 -6.575 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.533 0.799 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.851 2.454 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.411 1.725 -8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.653 4.313 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.753 5.165 -7.135 1.00 0.00 H new ATOM 425 N LYS A 383 -11.357 -0.097 -8.505 1.00 0.00 N ATOM 426 CA LYS A 383 -10.921 -1.194 -9.355 1.00 0.00 C ATOM 427 C LYS A 383 -10.506 -2.405 -8.526 1.00 0.00 C ATOM 428 O LYS A 383 -10.750 -3.545 -8.920 1.00 0.00 O ATOM 429 CB LYS A 383 -9.767 -0.736 -10.246 1.00 0.00 C ATOM 430 CG LYS A 383 -10.053 0.563 -10.987 1.00 0.00 C ATOM 431 CD LYS A 383 -11.330 0.473 -11.810 1.00 0.00 C ATOM 432 CE LYS A 383 -11.568 1.739 -12.616 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.466 1.998 -13.584 1.00 0.00 N ATOM 0 H LYS A 383 -10.694 0.676 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.760 -1.494 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.874 -0.607 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.546 -1.518 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.139 1.379 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.214 0.801 -11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.270 -0.382 -12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.178 0.298 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.512 1.654 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.663 2.588 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.780 2.695 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.638 2.369 -13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.210 1.111 -14.064 1.00 0.00 H new ATOM 447 N LYS A 384 -9.863 -2.154 -7.387 1.00 0.00 N ATOM 448 CA LYS A 384 -9.400 -3.214 -6.518 1.00 0.00 C ATOM 449 C LYS A 384 -10.526 -4.139 -6.083 1.00 0.00 C ATOM 450 O LYS A 384 -11.660 -4.051 -6.556 1.00 0.00 O ATOM 451 CB LYS A 384 -8.738 -2.596 -5.295 1.00 0.00 C ATOM 452 CG LYS A 384 -7.670 -1.577 -5.647 1.00 0.00 C ATOM 453 CD LYS A 384 -6.582 -2.182 -6.517 1.00 0.00 C ATOM 454 CE LYS A 384 -6.885 -2.029 -8.001 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.743 -2.463 -8.852 1.00 0.00 N ATOM 0 H LYS A 384 -9.653 -1.214 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.686 -3.820 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.500 -2.117 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.292 -3.387 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.127 -0.736 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.227 -1.183 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.629 -1.703 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.472 -3.240 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.768 -2.616 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.122 -0.987 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.992 -2.342 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.906 -1.886 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.532 -3.464 -8.666 1.00 0.00 H new ATOM 469 N ASP A 385 -10.186 -5.017 -5.160 1.00 0.00 N ATOM 470 CA ASP A 385 -11.124 -5.980 -4.605 1.00 0.00 C ATOM 471 C ASP A 385 -10.823 -6.180 -3.128 1.00 0.00 C ATOM 472 O ASP A 385 -10.031 -5.440 -2.557 1.00 0.00 O ATOM 473 CB ASP A 385 -11.023 -7.312 -5.348 1.00 0.00 C ATOM 474 CG ASP A 385 -11.389 -7.189 -6.814 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.540 -6.801 -7.107 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.526 -7.479 -7.668 1.00 0.00 O ATOM 0 H ASP A 385 -9.246 -5.085 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.139 -5.599 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.007 -7.696 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.680 -8.040 -4.873 1.00 0.00 H new ATOM 481 N GLN A 386 -11.446 -7.173 -2.509 1.00 0.00 N ATOM 482 CA GLN A 386 -11.216 -7.430 -1.091 1.00 0.00 C ATOM 483 C GLN A 386 -9.723 -7.547 -0.802 1.00 0.00 C ATOM 484 O GLN A 386 -9.181 -6.826 0.037 1.00 0.00 O ATOM 485 CB GLN A 386 -11.936 -8.711 -0.658 1.00 0.00 C ATOM 486 CG GLN A 386 -11.843 -8.986 0.834 1.00 0.00 C ATOM 487 CD GLN A 386 -12.539 -10.272 1.234 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.728 -10.457 0.970 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.801 -11.166 1.881 1.00 0.00 N ATOM 0 H GLN A 386 -12.107 -7.808 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.616 -6.591 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.986 -8.641 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.515 -9.556 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.794 -9.039 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.284 -8.153 1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.820 -10.970 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.215 -12.049 2.181 1.00 0.00 H new ATOM 498 N ASN A 387 -9.065 -8.455 -1.509 1.00 0.00 N ATOM 499 CA ASN A 387 -7.635 -8.672 -1.342 1.00 0.00 C ATOM 500 C ASN A 387 -6.822 -7.488 -1.859 1.00 0.00 C ATOM 501 O ASN A 387 -5.699 -7.255 -1.411 1.00 0.00 O ATOM 502 CB ASN A 387 -7.211 -9.950 -2.069 1.00 0.00 C ATOM 503 CG ASN A 387 -5.727 -10.217 -1.953 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.186 -10.324 -0.853 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.062 -10.334 -3.092 1.00 0.00 N ATOM 0 H ASN A 387 -9.502 -9.056 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.437 -8.775 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.762 -10.797 -1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.482 -9.872 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.059 -10.521 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.552 -10.238 -3.981 1.00 0.00 H new ATOM 512 N GLU A 388 -7.383 -6.752 -2.816 1.00 0.00 N ATOM 513 CA GLU A 388 -6.690 -5.608 -3.401 1.00 0.00 C ATOM 514 C GLU A 388 -7.077 -4.299 -2.722 1.00 0.00 C ATOM 515 O GLU A 388 -6.546 -3.241 -3.067 1.00 0.00 O ATOM 516 CB GLU A 388 -6.975 -5.522 -4.901 1.00 0.00 C ATOM 517 CG GLU A 388 -6.504 -6.736 -5.684 1.00 0.00 C ATOM 518 CD GLU A 388 -6.788 -6.614 -7.169 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.279 -5.660 -7.794 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.517 -7.474 -7.707 1.00 0.00 O ATOM 0 H GLU A 388 -8.311 -6.927 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.622 -5.761 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.047 -5.398 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.491 -4.632 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.433 -6.870 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.995 -7.628 -5.295 1.00 0.00 H new ATOM 527 N CYS A 389 -7.993 -4.360 -1.760 1.00 0.00 N ATOM 528 CA CYS A 389 -8.416 -3.156 -1.060 1.00 0.00 C ATOM 529 C CYS A 389 -7.241 -2.608 -0.260 1.00 0.00 C ATOM 530 O CYS A 389 -6.926 -3.101 0.823 1.00 0.00 O ATOM 531 CB CYS A 389 -9.610 -3.454 -0.151 1.00 0.00 C ATOM 532 SG CYS A 389 -10.592 -1.986 0.307 1.00 0.00 S ATOM 0 H CYS A 389 -8.450 -5.218 -1.452 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.735 -2.406 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.262 -4.171 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.248 -3.933 0.759 1.00 0.00 H new ATOM 537 N LYS A 390 -6.572 -1.609 -0.827 1.00 0.00 N ATOM 538 CA LYS A 390 -5.395 -1.014 -0.197 1.00 0.00 C ATOM 539 C LYS A 390 -5.748 -0.209 1.049 1.00 0.00 C ATOM 540 O LYS A 390 -6.903 0.162 1.261 1.00 0.00 O ATOM 541 CB LYS A 390 -4.654 -0.145 -1.203 1.00 0.00 C ATOM 542 CG LYS A 390 -4.191 -0.918 -2.430 1.00 0.00 C ATOM 543 CD LYS A 390 -3.437 -0.028 -3.402 1.00 0.00 C ATOM 544 CE LYS A 390 -2.982 -0.805 -4.626 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.101 -1.948 -4.260 1.00 0.00 N ATOM 0 H LYS A 390 -6.824 -1.193 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.747 -1.829 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.304 0.671 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.789 0.307 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.550 -1.743 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.054 -1.356 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.076 0.799 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.571 0.407 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.853 -1.176 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.449 -0.137 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.624 -2.305 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.389 -1.631 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.674 -2.707 -3.840 1.00 0.00 H new ATOM 559 N SER A 391 -4.737 0.036 1.884 1.00 0.00 N ATOM 560 CA SER A 391 -4.921 0.777 3.130 1.00 0.00 C ATOM 561 C SER A 391 -5.594 2.130 2.892 1.00 0.00 C ATOM 562 O SER A 391 -6.636 2.407 3.488 1.00 0.00 O ATOM 563 CB SER A 391 -3.579 0.967 3.845 1.00 0.00 C ATOM 564 OG SER A 391 -3.746 1.671 5.064 1.00 0.00 O ATOM 0 H SER A 391 -3.778 -0.270 1.717 1.00 0.00 H new ATOM 0 HA SER A 391 -5.581 0.188 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.127 -0.005 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.892 1.512 3.198 1.00 0.00 H new ATOM 0 HG SER A 391 -2.876 1.778 5.502 1.00 0.00 H new ATOM 570 N PRO A 392 -5.031 2.997 2.018 1.00 0.00 N ATOM 571 CA PRO A 392 -5.618 4.302 1.727 1.00 0.00 C ATOM 572 C PRO A 392 -7.101 4.181 1.415 1.00 0.00 C ATOM 573 O PRO A 392 -7.889 5.083 1.702 1.00 0.00 O ATOM 574 CB PRO A 392 -4.845 4.785 0.488 1.00 0.00 C ATOM 575 CG PRO A 392 -4.042 3.620 0.024 1.00 0.00 C ATOM 576 CD PRO A 392 -3.802 2.793 1.241 1.00 0.00 C ATOM 0 HA PRO A 392 -5.544 4.988 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.529 5.123 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.201 5.629 0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.577 3.052 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.102 3.944 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.649 1.743 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.918 3.123 1.787 1.00 0.00 H new ATOM 584 N CYS A 393 -7.468 3.050 0.824 1.00 0.00 N ATOM 585 CA CYS A 393 -8.850 2.781 0.463 1.00 0.00 C ATOM 586 C CYS A 393 -9.715 2.565 1.701 1.00 0.00 C ATOM 587 O CYS A 393 -9.398 3.038 2.791 1.00 0.00 O ATOM 588 CB CYS A 393 -8.917 1.544 -0.432 1.00 0.00 C ATOM 589 SG CYS A 393 -7.837 1.619 -1.897 1.00 0.00 S ATOM 0 H CYS A 393 -6.820 2.300 0.584 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.235 3.648 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.648 0.668 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.947 1.403 -0.761 1.00 0.00 H new ATOM 594 N LYS A 394 -10.808 1.838 1.510 1.00 0.00 N ATOM 595 CA LYS A 394 -11.738 1.529 2.587 1.00 0.00 C ATOM 596 C LYS A 394 -12.677 0.413 2.152 1.00 0.00 C ATOM 597 O LYS A 394 -13.446 0.564 1.202 1.00 0.00 O ATOM 598 CB LYS A 394 -12.529 2.779 2.982 1.00 0.00 C ATOM 599 CG LYS A 394 -13.546 2.541 4.086 1.00 0.00 C ATOM 600 CD LYS A 394 -14.176 3.843 4.562 1.00 0.00 C ATOM 601 CE LYS A 394 -14.882 4.576 3.432 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.517 5.840 3.899 1.00 0.00 N ATOM 0 H LYS A 394 -11.074 1.447 0.606 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.176 1.194 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.831 3.552 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.045 3.163 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.326 1.871 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.062 2.043 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.889 3.632 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.405 4.486 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.166 4.800 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.642 3.927 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.987 6.309 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.219 5.624 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.788 6.471 4.290 1.00 0.00 H new ATOM 616 N TRP A 395 -12.588 -0.719 2.841 1.00 0.00 N ATOM 617 CA TRP A 395 -13.405 -1.879 2.517 1.00 0.00 C ATOM 618 C TRP A 395 -14.857 -1.690 2.947 1.00 0.00 C ATOM 619 O TRP A 395 -15.134 -1.180 4.033 1.00 0.00 O ATOM 620 CB TRP A 395 -12.825 -3.132 3.177 1.00 0.00 C ATOM 621 CG TRP A 395 -13.483 -4.402 2.730 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.984 -5.390 3.528 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.703 -4.828 1.378 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.506 -6.400 2.758 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.345 -6.079 1.435 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.422 -4.272 0.125 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.709 -6.782 0.289 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.783 -4.970 -1.010 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.421 -6.214 -0.921 1.00 0.00 C ATOM 0 H TRP A 395 -11.956 -0.857 3.630 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.392 -1.997 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.759 -3.188 2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.924 -3.042 4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.972 -5.379 4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.943 -7.251 3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.931 -3.313 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.201 -7.741 0.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.570 -4.550 -1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.691 -6.735 -1.827 1.00 0.00 H new ATOM 640 N HIS A 396 -15.776 -2.124 2.089 1.00 0.00 N ATOM 641 CA HIS A 396 -17.202 -2.024 2.376 1.00 0.00 C ATOM 642 C HIS A 396 -17.853 -3.401 2.334 1.00 0.00 C ATOM 643 O HIS A 396 -17.929 -4.034 1.275 1.00 0.00 O ATOM 644 CB HIS A 396 -17.890 -1.093 1.378 1.00 0.00 C ATOM 645 CG HIS A 396 -17.509 0.345 1.537 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.757 1.065 2.687 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.900 1.201 0.683 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.321 2.301 2.532 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.796 2.410 1.326 1.00 0.00 N ATOM 0 H HIS A 396 -15.557 -2.549 1.188 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.317 -1.609 3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.645 -1.415 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.970 -1.188 1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.560 0.975 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.383 3.090 3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.380 3.255 0.935 1.00 0.00 H new ATOM 658 N ASN A 397 -18.317 -3.854 3.496 1.00 0.00 N ATOM 659 CA ASN A 397 -18.967 -5.154 3.621 1.00 0.00 C ATOM 660 C ASN A 397 -20.449 -5.051 3.273 1.00 0.00 C ATOM 661 O ASN A 397 -21.123 -4.099 3.668 1.00 0.00 O ATOM 662 CB ASN A 397 -18.794 -5.685 5.049 1.00 0.00 C ATOM 663 CG ASN A 397 -19.314 -7.102 5.234 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.670 -7.765 4.139 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -19.377 -7.604 6.357 1.00 0.00 N flip ATOM 0 H ASN A 397 -18.253 -3.334 4.371 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.500 -5.847 2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.737 -5.656 5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.314 -5.022 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.094 -7.063 7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.712 -8.561 6.470 1.00 0.00 H new ATOM 672 N ASP A 398 -20.947 -6.034 2.528 1.00 0.00 N ATOM 673 CA ASP A 398 -22.348 -6.061 2.119 1.00 0.00 C ATOM 674 C ASP A 398 -22.688 -4.837 1.276 1.00 0.00 C ATOM 675 O ASP A 398 -23.806 -4.325 1.325 1.00 0.00 O ATOM 676 CB ASP A 398 -23.263 -6.131 3.343 1.00 0.00 C ATOM 677 CG ASP A 398 -23.016 -7.372 4.180 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.165 -8.489 3.642 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.673 -7.226 5.373 1.00 0.00 O ATOM 0 H ASP A 398 -20.398 -6.826 2.194 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.507 -6.953 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.110 -5.245 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.303 -6.117 3.017 1.00 0.00 H new ATOM 684 N ALA A 399 -21.712 -4.383 0.495 1.00 0.00 N ATOM 685 CA ALA A 399 -21.896 -3.228 -0.374 1.00 0.00 C ATOM 686 C ALA A 399 -22.582 -3.635 -1.670 1.00 0.00 C ATOM 687 O ALA A 399 -22.139 -3.271 -2.761 1.00 0.00 O ATOM 688 CB ALA A 399 -20.559 -2.579 -0.672 1.00 0.00 C ATOM 0 H ALA A 399 -20.782 -4.800 0.447 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.532 -2.508 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.710 -1.717 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.097 -2.254 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.908 -3.299 -1.168 1.00 0.00 H new ATOM 694 N GLU A 400 -23.652 -4.412 -1.531 1.00 0.00 N ATOM 695 CA GLU A 400 -24.418 -4.913 -2.655 1.00 0.00 C ATOM 696 C GLU A 400 -23.675 -6.056 -3.336 1.00 0.00 C ATOM 697 O GLU A 400 -24.292 -6.967 -3.890 1.00 0.00 O ATOM 698 CB GLU A 400 -24.721 -3.799 -3.648 1.00 0.00 C ATOM 699 CG GLU A 400 -25.622 -4.252 -4.769 1.00 0.00 C ATOM 700 CD GLU A 400 -27.043 -4.513 -4.310 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.686 -3.570 -3.803 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.513 -5.662 -4.457 1.00 0.00 O ATOM 0 H GLU A 400 -24.011 -4.711 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.368 -5.293 -2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.190 -2.967 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.786 -3.426 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.631 -3.493 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.215 -5.161 -5.212 1.00 0.00 H new ATOM 709 N ASN A 401 -22.345 -6.005 -3.282 1.00 0.00 N ATOM 710 CA ASN A 401 -21.511 -7.035 -3.883 1.00 0.00 C ATOM 711 C ASN A 401 -20.034 -6.771 -3.601 1.00 0.00 C ATOM 712 O ASN A 401 -19.189 -6.915 -4.485 1.00 0.00 O ATOM 713 CB ASN A 401 -21.764 -7.100 -5.391 1.00 0.00 C ATOM 714 CG ASN A 401 -21.445 -5.798 -6.114 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.052 -4.769 -5.368 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.557 -5.718 -7.337 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.824 -5.257 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.773 -7.995 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.162 -7.902 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.809 -7.358 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.861 -6.529 -7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.346 -4.841 -7.812 1.00 0.00 H new ATOM 723 N LYS A 402 -19.739 -6.377 -2.360 1.00 0.00 N ATOM 724 CA LYS A 402 -18.369 -6.077 -1.943 1.00 0.00 C ATOM 725 C LYS A 402 -17.817 -4.890 -2.726 1.00 0.00 C ATOM 726 O LYS A 402 -17.796 -4.909 -3.957 1.00 0.00 O ATOM 727 CB LYS A 402 -17.468 -7.300 -2.144 1.00 0.00 C ATOM 728 CG LYS A 402 -17.908 -8.524 -1.356 1.00 0.00 C ATOM 729 CD LYS A 402 -17.825 -8.288 0.143 1.00 0.00 C ATOM 730 CE LYS A 402 -18.201 -9.536 0.924 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.076 -9.331 2.393 1.00 0.00 N ATOM 0 H LYS A 402 -20.435 -6.258 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.384 -5.821 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.444 -7.552 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.450 -7.040 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.931 -8.783 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.282 -9.375 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.813 -7.982 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.489 -7.469 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.225 -9.820 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.560 -10.363 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.158 -10.246 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.151 -8.907 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.832 -8.696 2.720 1.00 0.00 H new ATOM 745 N LYS A 403 -17.375 -3.852 -2.018 1.00 0.00 N ATOM 746 CA LYS A 403 -16.840 -2.668 -2.686 1.00 0.00 C ATOM 747 C LYS A 403 -15.729 -1.999 -1.878 1.00 0.00 C ATOM 748 O LYS A 403 -15.821 -1.866 -0.658 1.00 0.00 O ATOM 749 CB LYS A 403 -17.958 -1.655 -2.949 1.00 0.00 C ATOM 750 CG LYS A 403 -19.094 -2.206 -3.794 1.00 0.00 C ATOM 751 CD LYS A 403 -20.089 -1.121 -4.180 1.00 0.00 C ATOM 752 CE LYS A 403 -19.448 -0.059 -5.062 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.937 -0.631 -6.338 1.00 0.00 N ATOM 0 H LYS A 403 -17.376 -3.806 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.412 -3.003 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.359 -1.314 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.536 -0.782 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.687 -2.664 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.609 -2.992 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.932 -1.570 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.487 -0.654 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.178 0.720 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.628 0.414 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.727 0.139 -7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.070 -1.174 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.657 -1.259 -6.750 1.00 0.00 H new ATOM 767 N CYS A 404 -14.689 -1.563 -2.584 1.00 0.00 N ATOM 768 CA CYS A 404 -13.555 -0.881 -1.966 1.00 0.00 C ATOM 769 C CYS A 404 -13.454 0.540 -2.521 1.00 0.00 C ATOM 770 O CYS A 404 -13.554 0.742 -3.732 1.00 0.00 O ATOM 771 CB CYS A 404 -12.259 -1.653 -2.237 1.00 0.00 C ATOM 772 SG CYS A 404 -10.777 -0.950 -1.439 1.00 0.00 S ATOM 0 H CYS A 404 -14.608 -1.672 -3.595 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.706 -0.835 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.386 -2.681 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.093 -1.691 -3.314 1.00 0.00 H new ATOM 777 N THR A 405 -13.280 1.525 -1.642 1.00 0.00 N ATOM 778 CA THR A 405 -13.196 2.919 -2.075 1.00 0.00 C ATOM 779 C THR A 405 -12.144 3.701 -1.297 1.00 0.00 C ATOM 780 O THR A 405 -11.959 3.496 -0.098 1.00 0.00 O ATOM 781 CB THR A 405 -14.551 3.637 -1.925 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.965 3.621 -0.554 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.616 2.979 -2.788 1.00 0.00 C ATOM 0 H THR A 405 -13.195 1.387 -0.635 1.00 0.00 H new ATOM 0 HA THR A 405 -12.909 2.889 -3.126 1.00 0.00 H new ATOM 0 HB THR A 405 -14.426 4.668 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.462 4.441 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.562 3.506 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.313 3.020 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.737 1.939 -2.486 1.00 0.00 H new ATOM 791 N LEU A 406 -11.465 4.606 -1.998 1.00 0.00 N ATOM 792 CA LEU A 406 -10.432 5.438 -1.398 1.00 0.00 C ATOM 793 C LEU A 406 -11.037 6.389 -0.375 1.00 0.00 C ATOM 794 O LEU A 406 -12.138 6.909 -0.562 1.00 0.00 O ATOM 795 CB LEU A 406 -9.691 6.215 -2.486 1.00 0.00 C ATOM 796 CG LEU A 406 -8.379 6.885 -2.067 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.642 8.116 -1.218 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.480 5.899 -1.333 1.00 0.00 C ATOM 0 H LEU A 406 -11.616 4.781 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.720 4.795 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.479 5.533 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.360 6.984 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.862 7.208 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.693 8.572 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.233 8.832 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.189 7.829 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.554 6.396 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.990 5.536 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.252 5.058 -1.988 1.00 0.00 H new ATOM 810 N ASP A 407 -10.304 6.607 0.705 1.00 0.00 N ATOM 811 CA ASP A 407 -10.751 7.492 1.773 1.00 0.00 C ATOM 812 C ASP A 407 -9.830 8.701 1.899 1.00 0.00 C ATOM 813 O ASP A 407 -8.607 8.565 1.892 1.00 0.00 O ATOM 814 CB ASP A 407 -10.803 6.728 3.095 1.00 0.00 C ATOM 815 CG ASP A 407 -11.357 7.565 4.232 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.517 8.015 4.127 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.631 7.767 5.228 1.00 0.00 O ATOM 0 H ASP A 407 -9.391 6.181 0.867 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.751 7.851 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.419 5.837 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.800 6.389 3.354 1.00 0.00 H new ATOM 822 N LYS A 408 -10.426 9.886 2.003 1.00 0.00 N ATOM 823 CA LYS A 408 -9.661 11.123 2.120 1.00 0.00 C ATOM 824 C LYS A 408 -8.885 11.175 3.433 1.00 0.00 C ATOM 825 O LYS A 408 -7.747 11.638 3.468 1.00 0.00 O ATOM 826 CB LYS A 408 -10.592 12.337 1.989 1.00 0.00 C ATOM 827 CG LYS A 408 -11.622 12.473 3.104 1.00 0.00 C ATOM 828 CD LYS A 408 -11.056 13.209 4.311 1.00 0.00 C ATOM 829 CE LYS A 408 -12.079 13.321 5.430 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.531 14.043 6.613 1.00 0.00 N ATOM 0 H LYS A 408 -11.438 10.015 2.009 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.934 11.150 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.985 13.242 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -11.115 12.275 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.495 13.007 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.961 11.483 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.173 12.685 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.733 14.206 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.963 13.843 5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.400 12.323 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.315 14.396 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -10.945 13.394 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.950 14.844 6.292 1.00 0.00 H new ATOM 844 N GLU A 409 -9.512 10.708 4.508 1.00 0.00 N ATOM 845 CA GLU A 409 -8.887 10.712 5.825 1.00 0.00 C ATOM 846 C GLU A 409 -7.672 9.787 5.876 1.00 0.00 C ATOM 847 O GLU A 409 -6.616 10.163 6.383 1.00 0.00 O ATOM 848 CB GLU A 409 -9.908 10.293 6.883 1.00 0.00 C ATOM 849 CG GLU A 409 -9.332 10.206 8.282 1.00 0.00 C ATOM 850 CD GLU A 409 -8.795 11.535 8.779 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.583 12.501 8.860 1.00 0.00 O ATOM 852 OE2 GLU A 409 -7.587 11.609 9.087 1.00 0.00 O ATOM 0 H GLU A 409 -10.456 10.321 4.492 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.541 11.725 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.733 11.006 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.325 9.324 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.103 9.852 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.530 9.467 8.295 1.00 0.00 H new ATOM 859 N GLU A 410 -7.831 8.575 5.358 1.00 0.00 N ATOM 860 CA GLU A 410 -6.747 7.598 5.356 1.00 0.00 C ATOM 861 C GLU A 410 -5.627 8.015 4.406 1.00 0.00 C ATOM 862 O GLU A 410 -4.448 7.898 4.737 1.00 0.00 O ATOM 863 CB GLU A 410 -7.275 6.217 4.966 1.00 0.00 C ATOM 864 CG GLU A 410 -6.226 5.116 5.031 1.00 0.00 C ATOM 865 CD GLU A 410 -5.710 4.876 6.438 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.103 5.801 7.017 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.915 3.761 6.962 1.00 0.00 O ATOM 0 H GLU A 410 -8.698 8.245 4.934 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.338 7.553 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.103 5.956 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.676 6.264 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.653 4.191 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.390 5.378 4.382 1.00 0.00 H new ATOM 874 N ALA A 411 -6.001 8.492 3.223 1.00 0.00 N ATOM 875 CA ALA A 411 -5.025 8.917 2.223 1.00 0.00 C ATOM 876 C ALA A 411 -4.148 10.052 2.742 1.00 0.00 C ATOM 877 O ALA A 411 -2.924 10.001 2.620 1.00 0.00 O ATOM 878 CB ALA A 411 -5.731 9.331 0.940 1.00 0.00 C ATOM 0 H ALA A 411 -6.973 8.594 2.932 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.374 8.069 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.992 9.646 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.298 8.487 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.410 10.158 1.149 1.00 0.00 H new ATOM 884 N LYS A 412 -4.772 11.075 3.320 1.00 0.00 N ATOM 885 CA LYS A 412 -4.025 12.209 3.852 1.00 0.00 C ATOM 886 C LYS A 412 -3.122 11.762 4.996 1.00 0.00 C ATOM 887 O LYS A 412 -2.013 12.269 5.160 1.00 0.00 O ATOM 888 CB LYS A 412 -4.977 13.328 4.303 1.00 0.00 C ATOM 889 CG LYS A 412 -5.958 12.926 5.399 1.00 0.00 C ATOM 890 CD LYS A 412 -5.345 13.012 6.791 1.00 0.00 C ATOM 891 CE LYS A 412 -5.135 14.455 7.238 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.116 15.163 6.413 1.00 0.00 N ATOM 0 H LYS A 412 -5.784 11.142 3.431 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.395 12.610 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.383 14.171 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.542 13.676 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.835 13.571 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.301 11.907 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -5.993 12.503 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.389 12.488 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.082 14.992 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.825 14.467 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -3.652 15.895 6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.405 14.481 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.579 15.607 5.595 1.00 0.00 H new