USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= 0.53 K(o=1.2,f=-3.9!) USER MOD Set 1.2: A 405 THR OG1 : rot 35:sc= 0.698 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.4 USER MOD Set 2.2: A 380 SER OG : rot 86:sc= 0.446 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.993 F(o=-3.7!,f=-0.99) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -116:sc= -0.804 (180deg=-4.29!) USER MOD Single : A 386 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -133:sc= 0.0821 (180deg=-0.263) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -167:sc= -0.0209 (180deg=-0.198) USER MOD Single : A 397 ASN : amide:sc= 0.428 K(o=0.43,f=-3.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.618 F(o=-4.1!,f=-0.62) USER MOD Single : A 402 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.152) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0302 (180deg=-0.24) USER MOD Single : A 408 LYS NZ :NH3+ 152:sc= -3.56! (180deg=-5.99!) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.432 5.654 -3.461 1.00 0.00 N ATOM 340 CA GLU A 376 -4.049 5.503 -4.771 1.00 0.00 C ATOM 341 C GLU A 376 -5.107 6.580 -4.990 1.00 0.00 C ATOM 342 O GLU A 376 -4.975 7.702 -4.500 1.00 0.00 O ATOM 343 CB GLU A 376 -4.668 4.107 -4.900 1.00 0.00 C ATOM 344 CG GLU A 376 -3.696 2.979 -4.602 1.00 0.00 C ATOM 345 CD GLU A 376 -4.306 1.613 -4.848 1.00 0.00 C ATOM 346 OE1 GLU A 376 -5.341 1.305 -4.223 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.750 0.853 -5.668 1.00 0.00 O ATOM 0 HA GLU A 376 -3.282 5.618 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.518 4.032 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.056 3.983 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.807 3.095 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.371 3.047 -3.564 1.00 0.00 H new ATOM 354 N THR A 377 -6.152 6.236 -5.729 1.00 0.00 N ATOM 355 CA THR A 377 -7.227 7.170 -6.020 1.00 0.00 C ATOM 356 C THR A 377 -8.561 6.441 -6.082 1.00 0.00 C ATOM 357 O THR A 377 -8.603 5.232 -6.303 1.00 0.00 O ATOM 358 CB THR A 377 -6.985 7.908 -7.348 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.979 6.974 -8.436 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.661 8.656 -7.311 1.00 0.00 C ATOM 0 H THR A 377 -6.277 5.311 -6.140 1.00 0.00 H new ATOM 0 HA THR A 377 -7.250 7.904 -5.215 1.00 0.00 H new ATOM 0 HB THR A 377 -7.791 8.627 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.826 7.453 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.508 9.172 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.677 9.384 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.848 7.949 -7.147 1.00 0.00 H new ATOM 368 N GLU A 378 -9.645 7.179 -5.866 1.00 0.00 N ATOM 369 CA GLU A 378 -10.984 6.601 -5.879 1.00 0.00 C ATOM 370 C GLU A 378 -11.151 5.643 -7.047 1.00 0.00 C ATOM 371 O GLU A 378 -11.637 4.525 -6.887 1.00 0.00 O ATOM 372 CB GLU A 378 -12.033 7.708 -5.974 1.00 0.00 C ATOM 373 CG GLU A 378 -13.461 7.210 -5.819 1.00 0.00 C ATOM 374 CD GLU A 378 -14.486 8.322 -5.926 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.081 9.487 -6.122 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.694 8.028 -5.811 1.00 0.00 O ATOM 0 H GLU A 378 -9.622 8.182 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.121 6.047 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.832 8.454 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.934 8.208 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.664 6.460 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.566 6.717 -4.853 1.00 0.00 H new ATOM 383 N GLY A 379 -10.743 6.098 -8.219 1.00 0.00 N ATOM 384 CA GLY A 379 -10.851 5.284 -9.412 1.00 0.00 C ATOM 385 C GLY A 379 -10.048 4.005 -9.328 1.00 0.00 C ATOM 386 O GLY A 379 -10.505 2.952 -9.773 1.00 0.00 O ATOM 0 H GLY A 379 -10.336 7.022 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.899 5.038 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.514 5.863 -10.272 1.00 0.00 H new ATOM 390 N SER A 380 -8.850 4.092 -8.765 1.00 0.00 N ATOM 391 CA SER A 380 -7.988 2.926 -8.636 1.00 0.00 C ATOM 392 C SER A 380 -8.574 1.905 -7.665 1.00 0.00 C ATOM 393 O SER A 380 -8.671 0.721 -7.982 1.00 0.00 O ATOM 394 CB SER A 380 -6.601 3.345 -8.173 1.00 0.00 C ATOM 395 OG SER A 380 -5.986 4.211 -9.112 1.00 0.00 O ATOM 0 H SER A 380 -8.455 4.955 -8.392 1.00 0.00 H new ATOM 0 HA SER A 380 -7.914 2.457 -9.617 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.673 3.844 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.980 2.461 -8.029 1.00 0.00 H new ATOM 0 HG SER A 380 -6.261 5.135 -8.934 1.00 0.00 H new ATOM 401 N CYS A 381 -8.952 2.371 -6.480 1.00 0.00 N ATOM 402 CA CYS A 381 -9.513 1.500 -5.450 1.00 0.00 C ATOM 403 C CYS A 381 -10.729 0.729 -5.954 1.00 0.00 C ATOM 404 O CYS A 381 -10.859 -0.470 -5.705 1.00 0.00 O ATOM 405 CB CYS A 381 -9.901 2.323 -4.225 1.00 0.00 C ATOM 406 SG CYS A 381 -8.535 3.306 -3.527 1.00 0.00 S ATOM 0 H CYS A 381 -8.880 3.351 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.745 0.775 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.717 2.994 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.282 1.652 -3.455 1.00 0.00 H new ATOM 411 N ASN A 382 -11.620 1.425 -6.652 1.00 0.00 N ATOM 412 CA ASN A 382 -12.833 0.805 -7.179 1.00 0.00 C ATOM 413 C ASN A 382 -12.509 -0.437 -8.001 1.00 0.00 C ATOM 414 O ASN A 382 -13.305 -1.374 -8.065 1.00 0.00 O ATOM 415 CB ASN A 382 -13.606 1.801 -8.047 1.00 0.00 C ATOM 416 CG ASN A 382 -14.049 3.035 -7.282 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.723 3.095 -5.995 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.679 3.930 -7.845 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.526 2.418 -6.866 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.447 0.508 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.980 2.106 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.482 1.306 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.910 3.846 -8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.970 4.756 -7.322 1.00 0.00 H new ATOM 425 N LYS A 383 -11.345 -0.433 -8.635 1.00 0.00 N ATOM 426 CA LYS A 383 -10.923 -1.551 -9.463 1.00 0.00 C ATOM 427 C LYS A 383 -10.299 -2.653 -8.615 1.00 0.00 C ATOM 428 O LYS A 383 -10.408 -3.837 -8.937 1.00 0.00 O ATOM 429 CB LYS A 383 -9.928 -1.068 -10.519 1.00 0.00 C ATOM 430 CG LYS A 383 -10.368 0.207 -11.228 1.00 0.00 C ATOM 431 CD LYS A 383 -11.742 0.061 -11.870 1.00 0.00 C ATOM 432 CE LYS A 383 -11.750 -1.009 -12.950 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.088 -1.145 -13.589 1.00 0.00 N ATOM 0 H LYS A 383 -10.675 0.335 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.801 -1.964 -9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.962 -0.896 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.785 -1.855 -11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.388 1.030 -10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.637 0.467 -11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.476 -0.190 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.045 1.015 -12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.008 -0.763 -13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.456 -1.965 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.050 -1.885 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.792 -1.405 -12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.358 -0.241 -14.026 1.00 0.00 H new ATOM 447 N LYS A 384 -9.636 -2.254 -7.535 1.00 0.00 N ATOM 448 CA LYS A 384 -8.980 -3.194 -6.645 1.00 0.00 C ATOM 449 C LYS A 384 -9.988 -4.026 -5.857 1.00 0.00 C ATOM 450 O LYS A 384 -10.867 -3.484 -5.187 1.00 0.00 O ATOM 451 CB LYS A 384 -8.062 -2.425 -5.695 1.00 0.00 C ATOM 452 CG LYS A 384 -6.724 -2.010 -6.305 1.00 0.00 C ATOM 453 CD LYS A 384 -6.855 -1.464 -7.721 1.00 0.00 C ATOM 454 CE LYS A 384 -6.664 -2.553 -8.767 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.819 -2.029 -10.152 1.00 0.00 N ATOM 0 H LYS A 384 -9.541 -1.277 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.393 -3.888 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.583 -1.531 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.871 -3.041 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.262 -1.253 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.054 -2.870 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.838 -1.009 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.117 -0.677 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.673 -2.994 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.388 -3.350 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.641 -2.478 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.962 -0.999 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.963 -2.243 -10.702 1.00 0.00 H new ATOM 469 N ASP A 385 -9.841 -5.347 -5.931 1.00 0.00 N ATOM 470 CA ASP A 385 -10.728 -6.259 -5.214 1.00 0.00 C ATOM 471 C ASP A 385 -10.470 -6.173 -3.715 1.00 0.00 C ATOM 472 O ASP A 385 -9.659 -5.366 -3.270 1.00 0.00 O ATOM 473 CB ASP A 385 -10.523 -7.694 -5.700 1.00 0.00 C ATOM 474 CG ASP A 385 -10.836 -7.856 -7.176 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.185 -7.180 -7.999 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.733 -8.660 -7.507 1.00 0.00 O ATOM 0 H ASP A 385 -9.116 -5.809 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.759 -5.967 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.491 -7.993 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.158 -8.365 -5.121 1.00 0.00 H new ATOM 481 N GLN A 386 -11.157 -7.010 -2.941 1.00 0.00 N ATOM 482 CA GLN A 386 -10.989 -7.016 -1.490 1.00 0.00 C ATOM 483 C GLN A 386 -9.513 -7.088 -1.113 1.00 0.00 C ATOM 484 O GLN A 386 -9.022 -6.280 -0.324 1.00 0.00 O ATOM 485 CB GLN A 386 -11.745 -8.194 -0.872 1.00 0.00 C ATOM 486 CG GLN A 386 -11.601 -8.290 0.640 1.00 0.00 C ATOM 487 CD GLN A 386 -12.393 -9.439 1.243 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.125 -10.171 0.407 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -12.350 -9.666 2.452 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.832 -7.690 -3.292 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.400 -6.085 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.802 -8.107 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.386 -9.120 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.547 -8.411 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.930 -7.354 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.777 -9.082 3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.888 -10.438 2.845 1.00 0.00 H new ATOM 498 N ASN A 387 -8.808 -8.056 -1.688 1.00 0.00 N ATOM 499 CA ASN A 387 -7.386 -8.230 -1.419 1.00 0.00 C ATOM 500 C ASN A 387 -6.583 -7.037 -1.932 1.00 0.00 C ATOM 501 O ASN A 387 -5.587 -6.640 -1.326 1.00 0.00 O ATOM 502 CB ASN A 387 -6.877 -9.519 -2.067 1.00 0.00 C ATOM 503 CG ASN A 387 -5.401 -9.746 -1.825 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.943 -9.773 -0.683 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.648 -9.923 -2.902 1.00 0.00 N ATOM 0 H ASN A 387 -9.199 -8.733 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.252 -8.297 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.440 -10.366 -1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.064 -9.481 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.647 -10.090 -2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.070 -9.893 -3.830 1.00 0.00 H new ATOM 512 N GLU A 388 -7.019 -6.478 -3.056 1.00 0.00 N ATOM 513 CA GLU A 388 -6.339 -5.338 -3.663 1.00 0.00 C ATOM 514 C GLU A 388 -6.732 -4.025 -2.997 1.00 0.00 C ATOM 515 O GLU A 388 -6.088 -3.000 -3.220 1.00 0.00 O ATOM 516 CB GLU A 388 -6.633 -5.287 -5.162 1.00 0.00 C ATOM 517 CG GLU A 388 -6.132 -6.506 -5.920 1.00 0.00 C ATOM 518 CD GLU A 388 -6.409 -6.423 -7.408 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.595 -6.321 -7.787 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.440 -6.460 -8.195 1.00 0.00 O ATOM 0 H GLU A 388 -7.842 -6.797 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.268 -5.471 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.709 -5.194 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.174 -4.393 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.059 -6.613 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.606 -7.400 -5.516 1.00 0.00 H new ATOM 527 N CYS A 389 -7.780 -4.053 -2.174 1.00 0.00 N ATOM 528 CA CYS A 389 -8.221 -2.848 -1.485 1.00 0.00 C ATOM 529 C CYS A 389 -7.073 -2.324 -0.632 1.00 0.00 C ATOM 530 O CYS A 389 -6.806 -2.833 0.456 1.00 0.00 O ATOM 531 CB CYS A 389 -9.454 -3.140 -0.624 1.00 0.00 C ATOM 532 SG CYS A 389 -10.354 -1.653 -0.071 1.00 0.00 S ATOM 0 H CYS A 389 -8.331 -4.887 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.504 -2.090 -2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.136 -3.773 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.144 -3.709 0.252 1.00 0.00 H new ATOM 537 N LYS A 390 -6.370 -1.333 -1.165 1.00 0.00 N ATOM 538 CA LYS A 390 -5.209 -0.759 -0.495 1.00 0.00 C ATOM 539 C LYS A 390 -5.581 0.051 0.743 1.00 0.00 C ATOM 540 O LYS A 390 -6.741 0.410 0.949 1.00 0.00 O ATOM 541 CB LYS A 390 -4.417 0.088 -1.483 1.00 0.00 C ATOM 542 CG LYS A 390 -3.785 -0.736 -2.599 1.00 0.00 C ATOM 543 CD LYS A 390 -2.681 -1.640 -2.071 1.00 0.00 C ATOM 544 CE LYS A 390 -2.048 -2.458 -3.186 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.039 -3.340 -3.861 1.00 0.00 N ATOM 0 H LYS A 390 -6.585 -0.907 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.590 -1.584 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.076 0.838 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.634 0.625 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.551 -1.341 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.378 -0.069 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.917 -1.035 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.089 -2.310 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.601 -1.787 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.241 -3.066 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.643 -4.297 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.910 -3.381 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.257 -2.959 -4.804 1.00 0.00 H new ATOM 559 N SER A 391 -4.572 0.308 1.577 1.00 0.00 N ATOM 560 CA SER A 391 -4.741 1.044 2.822 1.00 0.00 C ATOM 561 C SER A 391 -5.441 2.391 2.619 1.00 0.00 C ATOM 562 O SER A 391 -6.419 2.683 3.309 1.00 0.00 O ATOM 563 CB SER A 391 -3.380 1.253 3.480 1.00 0.00 C ATOM 564 OG SER A 391 -2.754 0.014 3.764 1.00 0.00 O ATOM 0 H SER A 391 -3.613 0.009 1.403 1.00 0.00 H new ATOM 0 HA SER A 391 -5.383 0.448 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.742 1.844 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.502 1.822 4.402 1.00 0.00 H new ATOM 0 HG SER A 391 -1.883 0.176 4.183 1.00 0.00 H new ATOM 570 N PRO A 392 -4.972 3.235 1.676 1.00 0.00 N ATOM 571 CA PRO A 392 -5.593 4.534 1.419 1.00 0.00 C ATOM 572 C PRO A 392 -7.066 4.374 1.081 1.00 0.00 C ATOM 573 O PRO A 392 -7.881 5.267 1.327 1.00 0.00 O ATOM 574 CB PRO A 392 -4.807 5.079 0.219 1.00 0.00 C ATOM 575 CG PRO A 392 -4.136 3.897 -0.375 1.00 0.00 C ATOM 576 CD PRO A 392 -3.829 3.007 0.780 1.00 0.00 C ATOM 0 HA PRO A 392 -5.559 5.199 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.470 5.559 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.080 5.829 0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.782 3.398 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.228 4.184 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.754 1.963 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.884 3.271 1.254 1.00 0.00 H new ATOM 584 N CYS A 393 -7.398 3.215 0.524 1.00 0.00 N ATOM 585 CA CYS A 393 -8.768 2.901 0.158 1.00 0.00 C ATOM 586 C CYS A 393 -9.546 2.426 1.379 1.00 0.00 C ATOM 587 O CYS A 393 -9.000 1.754 2.254 1.00 0.00 O ATOM 588 CB CYS A 393 -8.807 1.811 -0.907 1.00 0.00 C ATOM 589 SG CYS A 393 -7.608 2.025 -2.261 1.00 0.00 S ATOM 0 H CYS A 393 -6.729 2.474 0.316 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.224 3.808 -0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.626 0.848 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.810 1.773 -1.331 1.00 0.00 H new ATOM 594 N LYS A 394 -10.825 2.761 1.418 1.00 0.00 N ATOM 595 CA LYS A 394 -11.693 2.355 2.516 1.00 0.00 C ATOM 596 C LYS A 394 -12.520 1.143 2.112 1.00 0.00 C ATOM 597 O LYS A 394 -13.238 1.174 1.114 1.00 0.00 O ATOM 598 CB LYS A 394 -12.612 3.507 2.930 1.00 0.00 C ATOM 599 CG LYS A 394 -13.558 3.151 4.068 1.00 0.00 C ATOM 600 CD LYS A 394 -14.451 4.321 4.448 1.00 0.00 C ATOM 601 CE LYS A 394 -13.639 5.495 4.966 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.874 5.145 6.194 1.00 0.00 N ATOM 0 H LYS A 394 -11.289 3.316 0.699 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.069 2.088 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.001 4.359 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.198 3.822 2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.176 2.303 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.979 2.838 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.032 4.634 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.162 4.004 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.948 5.828 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.305 6.331 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.514 6.014 6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.498 4.648 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.075 4.529 5.942 1.00 0.00 H new ATOM 616 N TRP A 395 -12.408 0.073 2.890 1.00 0.00 N ATOM 617 CA TRP A 395 -13.140 -1.152 2.604 1.00 0.00 C ATOM 618 C TRP A 395 -14.581 -1.064 3.101 1.00 0.00 C ATOM 619 O TRP A 395 -14.839 -0.577 4.202 1.00 0.00 O ATOM 620 CB TRP A 395 -12.440 -2.352 3.244 1.00 0.00 C ATOM 621 CG TRP A 395 -13.059 -3.666 2.877 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.472 -4.646 3.733 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.331 -4.147 1.554 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.989 -5.705 3.024 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.913 -5.422 1.686 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.141 -3.622 0.270 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.305 -6.179 0.585 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.532 -4.375 -0.820 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.107 -5.641 -0.657 1.00 0.00 C ATOM 0 H TRP A 395 -11.819 0.030 3.721 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.159 -1.284 1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.392 -2.355 2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.460 -2.239 4.328 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.403 -4.597 4.810 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.367 -6.561 3.429 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.697 -2.647 0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.749 -7.156 0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.392 -3.980 -1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.400 -6.205 -1.530 1.00 0.00 H new ATOM 640 N HIS A 396 -15.514 -1.549 2.285 1.00 0.00 N ATOM 641 CA HIS A 396 -16.928 -1.535 2.647 1.00 0.00 C ATOM 642 C HIS A 396 -17.484 -2.954 2.704 1.00 0.00 C ATOM 643 O HIS A 396 -17.456 -3.685 1.711 1.00 0.00 O ATOM 644 CB HIS A 396 -17.730 -0.701 1.647 1.00 0.00 C ATOM 645 CG HIS A 396 -17.363 0.750 1.646 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.481 1.557 2.759 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.884 1.542 0.658 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.091 2.781 2.454 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.724 2.800 1.186 1.00 0.00 N ATOM 0 H HIS A 396 -15.316 -1.956 1.371 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.019 -1.084 3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.580 -1.106 0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.792 -0.798 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.668 1.241 -0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.075 3.625 3.128 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.378 3.616 0.681 1.00 0.00 H new ATOM 658 N ASN A 397 -17.986 -3.334 3.875 1.00 0.00 N ATOM 659 CA ASN A 397 -18.549 -4.663 4.080 1.00 0.00 C ATOM 660 C ASN A 397 -20.045 -4.688 3.778 1.00 0.00 C ATOM 661 O ASN A 397 -20.767 -3.740 4.087 1.00 0.00 O ATOM 662 CB ASN A 397 -18.302 -5.126 5.516 1.00 0.00 C ATOM 663 CG ASN A 397 -18.942 -4.206 6.537 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.619 -3.020 6.608 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.858 -4.748 7.331 1.00 0.00 N ATOM 0 H ASN A 397 -18.014 -2.736 4.701 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.052 -5.344 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.695 -6.135 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.229 -5.177 5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.325 -4.177 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.094 -5.736 7.237 1.00 0.00 H new ATOM 672 N ASP A 398 -20.497 -5.785 3.178 1.00 0.00 N ATOM 673 CA ASP A 398 -21.906 -5.957 2.831 1.00 0.00 C ATOM 674 C ASP A 398 -22.386 -4.834 1.914 1.00 0.00 C ATOM 675 O ASP A 398 -23.524 -4.375 2.016 1.00 0.00 O ATOM 676 CB ASP A 398 -22.762 -6.005 4.102 1.00 0.00 C ATOM 677 CG ASP A 398 -24.193 -6.432 3.828 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.504 -6.763 2.664 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.001 -6.441 4.781 1.00 0.00 O ATOM 0 H ASP A 398 -19.904 -6.574 2.920 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.011 -6.901 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.311 -6.697 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.764 -5.021 4.571 1.00 0.00 H new ATOM 684 N ALA A 399 -21.513 -4.403 1.011 1.00 0.00 N ATOM 685 CA ALA A 399 -21.848 -3.343 0.067 1.00 0.00 C ATOM 686 C ALA A 399 -22.533 -3.919 -1.164 1.00 0.00 C ATOM 687 O ALA A 399 -22.168 -3.600 -2.296 1.00 0.00 O ATOM 688 CB ALA A 399 -20.602 -2.581 -0.333 1.00 0.00 C ATOM 0 H ALA A 399 -20.567 -4.771 0.912 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.538 -2.654 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.868 -1.793 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.147 -2.137 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.893 -3.263 -0.802 1.00 0.00 H new ATOM 694 N GLU A 400 -23.511 -4.789 -0.922 1.00 0.00 N ATOM 695 CA GLU A 400 -24.260 -5.458 -1.985 1.00 0.00 C ATOM 696 C GLU A 400 -23.433 -6.594 -2.574 1.00 0.00 C ATOM 697 O GLU A 400 -23.975 -7.605 -3.024 1.00 0.00 O ATOM 698 CB GLU A 400 -24.673 -4.473 -3.082 1.00 0.00 C ATOM 699 CG GLU A 400 -25.556 -3.339 -2.584 1.00 0.00 C ATOM 700 CD GLU A 400 -26.867 -3.833 -2.002 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.647 -4.462 -2.748 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.113 -3.592 -0.802 1.00 0.00 O ATOM 0 H GLU A 400 -23.808 -5.051 0.018 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.170 -5.870 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.776 -4.051 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.201 -5.016 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.018 -2.770 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.763 -2.656 -3.408 1.00 0.00 H new ATOM 709 N ASN A 401 -22.115 -6.418 -2.557 1.00 0.00 N ATOM 710 CA ASN A 401 -21.193 -7.417 -3.075 1.00 0.00 C ATOM 711 C ASN A 401 -19.750 -6.975 -2.852 1.00 0.00 C ATOM 712 O ASN A 401 -18.897 -7.138 -3.724 1.00 0.00 O ATOM 713 CB ASN A 401 -21.454 -7.656 -4.564 1.00 0.00 C ATOM 714 CG ASN A 401 -21.248 -6.416 -5.422 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.979 -5.277 -4.790 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.341 -6.481 -6.649 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.661 -5.584 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.354 -8.352 -2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.793 -8.447 -4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.476 -8.012 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.549 -7.373 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.210 -5.643 -7.215 1.00 0.00 H new ATOM 723 N LYS A 402 -19.495 -6.408 -1.671 1.00 0.00 N ATOM 724 CA LYS A 402 -18.163 -5.924 -1.309 1.00 0.00 C ATOM 725 C LYS A 402 -17.750 -4.761 -2.207 1.00 0.00 C ATOM 726 O LYS A 402 -17.868 -4.839 -3.429 1.00 0.00 O ATOM 727 CB LYS A 402 -17.139 -7.059 -1.402 1.00 0.00 C ATOM 728 CG LYS A 402 -17.481 -8.261 -0.534 1.00 0.00 C ATOM 729 CD LYS A 402 -17.575 -7.884 0.937 1.00 0.00 C ATOM 730 CE LYS A 402 -17.947 -9.082 1.795 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.060 -8.721 3.235 1.00 0.00 N ATOM 0 H LYS A 402 -20.199 -6.273 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.196 -5.568 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.060 -7.382 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.160 -6.678 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.429 -8.689 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.722 -9.032 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.620 -7.478 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.319 -7.098 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.894 -9.496 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.195 -9.862 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.959 -9.577 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.311 -8.044 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.989 -8.289 3.413 1.00 0.00 H new ATOM 745 N LYS A 403 -17.275 -3.675 -1.598 1.00 0.00 N ATOM 746 CA LYS A 403 -16.861 -2.500 -2.364 1.00 0.00 C ATOM 747 C LYS A 403 -15.693 -1.773 -1.706 1.00 0.00 C ATOM 748 O LYS A 403 -15.668 -1.577 -0.492 1.00 0.00 O ATOM 749 CB LYS A 403 -18.033 -1.526 -2.527 1.00 0.00 C ATOM 750 CG LYS A 403 -19.215 -2.103 -3.292 1.00 0.00 C ATOM 751 CD LYS A 403 -20.309 -1.064 -3.503 1.00 0.00 C ATOM 752 CE LYS A 403 -19.823 0.096 -4.360 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.376 -0.356 -5.707 1.00 0.00 N ATOM 0 H LYS A 403 -17.168 -3.584 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.536 -2.856 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.371 -1.212 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.681 -0.633 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.876 -2.476 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.622 -2.954 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.170 -1.533 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.645 -0.687 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.624 0.827 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.999 0.600 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.279 0.467 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.458 -0.838 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.078 -1.013 -6.103 1.00 0.00 H new ATOM 767 N CYS A 404 -14.735 -1.360 -2.530 1.00 0.00 N ATOM 768 CA CYS A 404 -13.563 -0.632 -2.057 1.00 0.00 C ATOM 769 C CYS A 404 -13.538 0.762 -2.682 1.00 0.00 C ATOM 770 O CYS A 404 -13.631 0.900 -3.902 1.00 0.00 O ATOM 771 CB CYS A 404 -12.285 -1.397 -2.422 1.00 0.00 C ATOM 772 SG CYS A 404 -10.747 -0.644 -1.796 1.00 0.00 S ATOM 0 H CYS A 404 -14.749 -1.519 -3.537 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.615 -0.536 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.361 -2.413 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.221 -1.475 -3.507 1.00 0.00 H new ATOM 777 N THR A 405 -13.423 1.797 -1.850 1.00 0.00 N ATOM 778 CA THR A 405 -13.402 3.170 -2.352 1.00 0.00 C ATOM 779 C THR A 405 -12.389 4.030 -1.605 1.00 0.00 C ATOM 780 O THR A 405 -12.366 4.059 -0.377 1.00 0.00 O ATOM 781 CB THR A 405 -14.784 3.839 -2.244 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.190 3.908 -0.872 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.824 3.074 -3.047 1.00 0.00 C ATOM 0 H THR A 405 -13.344 1.713 -0.837 1.00 0.00 H new ATOM 0 HA THR A 405 -13.114 3.101 -3.401 1.00 0.00 H new ATOM 0 HB THR A 405 -14.705 4.847 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.404 4.056 -0.305 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.791 3.568 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.529 3.050 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.899 2.055 -2.668 1.00 0.00 H new ATOM 791 N LEU A 406 -11.562 4.731 -2.370 1.00 0.00 N ATOM 792 CA LEU A 406 -10.532 5.603 -1.823 1.00 0.00 C ATOM 793 C LEU A 406 -11.132 6.672 -0.921 1.00 0.00 C ATOM 794 O LEU A 406 -12.218 7.189 -1.182 1.00 0.00 O ATOM 795 CB LEU A 406 -9.758 6.259 -2.970 1.00 0.00 C ATOM 796 CG LEU A 406 -8.439 6.943 -2.601 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.678 8.268 -1.897 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.585 6.024 -1.745 1.00 0.00 C ATOM 0 H LEU A 406 -11.587 4.710 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.855 4.999 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.549 5.496 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.406 6.999 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.902 7.155 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.721 8.726 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.240 8.933 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.246 8.097 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.651 6.526 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.123 5.775 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.367 5.110 -2.298 1.00 0.00 H new ATOM 810 N ASP A 407 -10.399 7.010 0.131 1.00 0.00 N ATOM 811 CA ASP A 407 -10.833 8.033 1.070 1.00 0.00 C ATOM 812 C ASP A 407 -9.733 9.073 1.236 1.00 0.00 C ATOM 813 O ASP A 407 -8.577 8.728 1.480 1.00 0.00 O ATOM 814 CB ASP A 407 -11.179 7.407 2.423 1.00 0.00 C ATOM 815 CG ASP A 407 -11.711 8.422 3.419 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.870 9.603 3.042 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.976 8.034 4.575 1.00 0.00 O ATOM 0 H ASP A 407 -9.498 6.588 0.355 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.728 8.517 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.922 6.623 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.290 6.930 2.836 1.00 0.00 H new ATOM 822 N LYS A 408 -10.091 10.342 1.086 1.00 0.00 N ATOM 823 CA LYS A 408 -9.120 11.421 1.205 1.00 0.00 C ATOM 824 C LYS A 408 -8.551 11.503 2.616 1.00 0.00 C ATOM 825 O LYS A 408 -7.348 11.358 2.813 1.00 0.00 O ATOM 826 CB LYS A 408 -9.760 12.754 0.827 1.00 0.00 C ATOM 827 CG LYS A 408 -10.317 12.784 -0.588 1.00 0.00 C ATOM 828 CD LYS A 408 -11.019 14.100 -0.899 1.00 0.00 C ATOM 829 CE LYS A 408 -12.345 14.234 -0.159 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.167 14.306 1.318 1.00 0.00 N ATOM 0 H LYS A 408 -11.043 10.648 0.883 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.301 11.207 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.564 12.973 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.019 13.546 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.506 12.629 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.018 11.960 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.368 14.930 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.195 14.171 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.861 15.130 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.982 13.384 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.951 14.846 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.159 13.344 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.266 14.778 1.537 1.00 0.00 H new ATOM 844 N GLU A 409 -9.426 11.735 3.594 1.00 0.00 N ATOM 845 CA GLU A 409 -9.009 11.841 4.991 1.00 0.00 C ATOM 846 C GLU A 409 -8.154 10.646 5.399 1.00 0.00 C ATOM 847 O GLU A 409 -7.155 10.793 6.108 1.00 0.00 O ATOM 848 CB GLU A 409 -10.233 11.944 5.901 1.00 0.00 C ATOM 849 CG GLU A 409 -11.085 13.174 5.633 1.00 0.00 C ATOM 850 CD GLU A 409 -12.287 13.266 6.554 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.088 13.334 7.785 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.427 13.270 6.043 1.00 0.00 O ATOM 0 H GLU A 409 -10.428 11.853 3.444 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.408 12.744 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.846 11.052 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.903 11.959 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.473 14.068 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.426 13.156 4.598 1.00 0.00 H new ATOM 859 N GLU A 410 -8.543 9.467 4.932 1.00 0.00 N ATOM 860 CA GLU A 410 -7.803 8.250 5.233 1.00 0.00 C ATOM 861 C GLU A 410 -6.439 8.316 4.570 1.00 0.00 C ATOM 862 O GLU A 410 -5.416 8.030 5.190 1.00 0.00 O ATOM 863 CB GLU A 410 -8.573 7.018 4.754 1.00 0.00 C ATOM 864 CG GLU A 410 -7.909 5.702 5.125 1.00 0.00 C ATOM 865 CD GLU A 410 -8.741 4.497 4.727 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.041 4.354 3.524 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.089 3.696 5.619 1.00 0.00 O ATOM 0 H GLU A 410 -9.365 9.328 4.344 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.675 8.166 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.577 7.040 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.683 7.067 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.934 5.642 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.733 5.678 6.200 1.00 0.00 H new ATOM 874 N ALA A 411 -6.439 8.722 3.305 1.00 0.00 N ATOM 875 CA ALA A 411 -5.209 8.864 2.544 1.00 0.00 C ATOM 876 C ALA A 411 -4.254 9.819 3.254 1.00 0.00 C ATOM 877 O ALA A 411 -3.036 9.658 3.192 1.00 0.00 O ATOM 878 CB ALA A 411 -5.517 9.367 1.142 1.00 0.00 C ATOM 0 H ALA A 411 -7.284 8.959 2.785 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.729 7.889 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.589 9.470 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.170 8.656 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.013 10.336 1.204 1.00 0.00 H new ATOM 884 N LYS A 412 -4.819 10.820 3.928 1.00 0.00 N ATOM 885 CA LYS A 412 -4.017 11.801 4.650 1.00 0.00 C ATOM 886 C LYS A 412 -3.230 11.123 5.763 1.00 0.00 C ATOM 887 O LYS A 412 -2.026 11.329 5.904 1.00 0.00 O ATOM 888 CB LYS A 412 -4.900 12.898 5.258 1.00 0.00 C ATOM 889 CG LYS A 412 -5.999 13.418 4.342 1.00 0.00 C ATOM 890 CD LYS A 412 -5.500 13.675 2.931 1.00 0.00 C ATOM 891 CE LYS A 412 -6.534 14.421 2.103 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.043 14.705 0.727 1.00 0.00 N ATOM 0 H LYS A 412 -5.826 10.971 3.988 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.330 12.256 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.358 12.512 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.265 13.734 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.815 12.696 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.406 14.341 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -4.577 14.253 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -5.262 12.727 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.449 13.831 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.788 15.358 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.777 15.215 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -5.184 15.289 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.824 13.810 0.245 1.00 0.00 H new