USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 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 Single : A 377 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.03 F(o=-3.6!,f=-1) USER MOD Single : A 383 LYS NZ :NH3+ 160:sc= -0.0809 (180deg=-0.458) USER MOD Single : A 384 LYS NZ :NH3+ -113:sc= -0.409 (180deg=-3.36!) USER MOD Single : A 386 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.2!) USER MOD Single : A 387 ASN : amide:sc= -0.0908 K(o=-0.091,f=-4.6!) USER MOD Single : A 390 LYS NZ :NH3+ -164:sc= -0.0358 (180deg=-0.295) 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 396 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-4.5!) USER MOD Single : A 397 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.7!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.687 F(o=-4.1!,f=-0.69) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ 133:sc= -0.041 (180deg=-0.318) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0417 (180deg=-0.26) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.192 6.134 -3.930 1.00 0.00 N ATOM 340 CA GLU A 376 -4.435 6.586 -3.328 1.00 0.00 C ATOM 341 C GLU A 376 -5.276 7.402 -4.299 1.00 0.00 C ATOM 342 O GLU A 376 -5.007 8.580 -4.539 1.00 0.00 O ATOM 343 CB GLU A 376 -4.126 7.419 -2.086 1.00 0.00 C ATOM 344 CG GLU A 376 -2.921 8.330 -2.265 1.00 0.00 C ATOM 345 CD GLU A 376 -2.813 9.383 -1.182 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.754 10.194 -1.046 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.789 9.398 -0.467 1.00 0.00 O ATOM 0 HA GLU A 376 -5.013 5.704 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.997 8.024 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.948 6.752 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.013 7.727 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.983 8.820 -3.237 1.00 0.00 H new ATOM 354 N THR A 377 -6.312 6.763 -4.825 1.00 0.00 N ATOM 355 CA THR A 377 -7.240 7.394 -5.750 1.00 0.00 C ATOM 356 C THR A 377 -8.549 6.627 -5.761 1.00 0.00 C ATOM 357 O THR A 377 -8.559 5.398 -5.685 1.00 0.00 O ATOM 358 CB THR A 377 -6.699 7.458 -7.193 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.271 6.160 -7.615 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.547 8.446 -7.321 1.00 0.00 C ATOM 0 H THR A 377 -6.532 5.788 -4.620 1.00 0.00 H new ATOM 0 HA THR A 377 -7.384 8.416 -5.401 1.00 0.00 H new ATOM 0 HB THR A 377 -7.510 7.804 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.931 6.210 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.194 8.462 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.889 9.442 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.732 8.142 -6.663 1.00 0.00 H new ATOM 368 N GLU A 378 -9.651 7.352 -5.850 1.00 0.00 N ATOM 369 CA GLU A 378 -10.964 6.727 -5.864 1.00 0.00 C ATOM 370 C GLU A 378 -11.073 5.773 -7.043 1.00 0.00 C ATOM 371 O GLU A 378 -11.678 4.706 -6.943 1.00 0.00 O ATOM 372 CB GLU A 378 -12.062 7.788 -5.940 1.00 0.00 C ATOM 373 CG GLU A 378 -13.465 7.223 -5.800 1.00 0.00 C ATOM 374 CD GLU A 378 -14.532 8.301 -5.827 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.627 9.017 -6.844 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.272 8.428 -4.827 1.00 0.00 O ATOM 0 H GLU A 378 -9.664 8.370 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.092 6.164 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.897 8.526 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.984 8.312 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.650 6.514 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.538 6.668 -4.865 1.00 0.00 H new ATOM 383 N GLY A 379 -10.480 6.173 -8.158 1.00 0.00 N ATOM 384 CA GLY A 379 -10.511 5.359 -9.354 1.00 0.00 C ATOM 385 C GLY A 379 -9.771 4.046 -9.211 1.00 0.00 C ATOM 386 O GLY A 379 -10.226 3.020 -9.717 1.00 0.00 O ATOM 0 H GLY A 379 -9.974 7.054 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.549 5.155 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.077 5.923 -10.179 1.00 0.00 H new ATOM 390 N SER A 380 -8.628 4.066 -8.532 1.00 0.00 N ATOM 391 CA SER A 380 -7.843 2.852 -8.353 1.00 0.00 C ATOM 392 C SER A 380 -8.513 1.900 -7.371 1.00 0.00 C ATOM 393 O SER A 380 -8.637 0.708 -7.634 1.00 0.00 O ATOM 394 CB SER A 380 -6.439 3.192 -7.870 1.00 0.00 C ATOM 395 OG SER A 380 -5.659 2.022 -7.694 1.00 0.00 O ATOM 0 H SER A 380 -8.229 4.900 -8.101 1.00 0.00 H new ATOM 0 HA SER A 380 -7.777 2.354 -9.321 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.954 3.851 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.498 3.738 -6.928 1.00 0.00 H new ATOM 0 HG SER A 380 -4.763 2.270 -7.385 1.00 0.00 H new ATOM 401 N CYS A 381 -8.933 2.441 -6.237 1.00 0.00 N ATOM 402 CA CYS A 381 -9.580 1.653 -5.193 1.00 0.00 C ATOM 403 C CYS A 381 -10.778 0.863 -5.716 1.00 0.00 C ATOM 404 O CYS A 381 -10.929 -0.320 -5.410 1.00 0.00 O ATOM 405 CB CYS A 381 -10.009 2.567 -4.050 1.00 0.00 C ATOM 406 SG CYS A 381 -8.615 3.283 -3.126 1.00 0.00 S ATOM 0 H CYS A 381 -8.837 3.432 -6.013 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.853 0.926 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.620 3.375 -4.452 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.639 2.003 -3.362 1.00 0.00 H new ATOM 411 N ASN A 382 -11.628 1.519 -6.498 1.00 0.00 N ATOM 412 CA ASN A 382 -12.814 0.871 -7.054 1.00 0.00 C ATOM 413 C ASN A 382 -12.445 -0.399 -7.811 1.00 0.00 C ATOM 414 O ASN A 382 -13.252 -1.320 -7.933 1.00 0.00 O ATOM 415 CB ASN A 382 -13.550 1.825 -7.996 1.00 0.00 C ATOM 416 CG ASN A 382 -14.006 3.099 -7.311 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.730 3.218 -6.018 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.606 3.970 -7.940 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.520 2.498 -6.762 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.465 0.605 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.895 2.081 -8.829 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.417 1.315 -8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.799 3.840 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.910 4.822 -7.468 1.00 0.00 H new ATOM 425 N LYS A 383 -11.227 -0.427 -8.335 1.00 0.00 N ATOM 426 CA LYS A 383 -10.747 -1.563 -9.105 1.00 0.00 C ATOM 427 C LYS A 383 -10.165 -2.646 -8.203 1.00 0.00 C ATOM 428 O LYS A 383 -10.271 -3.836 -8.497 1.00 0.00 O ATOM 429 CB LYS A 383 -9.692 -1.088 -10.101 1.00 0.00 C ATOM 430 CG LYS A 383 -10.103 0.161 -10.867 1.00 0.00 C ATOM 431 CD LYS A 383 -11.381 -0.061 -11.661 1.00 0.00 C ATOM 432 CE LYS A 383 -11.687 1.124 -12.563 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.606 1.354 -13.561 1.00 0.00 N ATOM 0 H LYS A 383 -10.550 0.330 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.592 -1.998 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.763 -0.889 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.486 -1.889 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.247 0.985 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.300 0.453 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.284 -0.964 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.213 -0.223 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.630 0.952 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.817 2.019 -11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.977 1.920 -14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.820 1.863 -13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.265 0.440 -13.921 1.00 0.00 H new ATOM 447 N LYS A 384 -9.535 -2.222 -7.114 1.00 0.00 N ATOM 448 CA LYS A 384 -8.914 -3.144 -6.176 1.00 0.00 C ATOM 449 C LYS A 384 -9.945 -4.001 -5.451 1.00 0.00 C ATOM 450 O LYS A 384 -10.874 -3.483 -4.831 1.00 0.00 O ATOM 451 CB LYS A 384 -8.082 -2.355 -5.166 1.00 0.00 C ATOM 452 CG LYS A 384 -6.712 -1.912 -5.676 1.00 0.00 C ATOM 453 CD LYS A 384 -6.750 -1.373 -7.099 1.00 0.00 C ATOM 454 CE LYS A 384 -6.447 -2.459 -8.122 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.486 -1.934 -9.515 1.00 0.00 N ATOM 0 H LYS A 384 -9.442 -1.239 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.272 -3.820 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.645 -1.472 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.943 -2.966 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.315 -1.143 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.024 -2.756 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.733 -0.948 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.026 -0.565 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.463 -2.883 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.170 -3.268 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.288 -2.358 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.597 -0.900 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.600 -2.177 -10.002 1.00 0.00 H new ATOM 469 N ASP A 385 -9.761 -5.318 -5.519 1.00 0.00 N ATOM 470 CA ASP A 385 -10.663 -6.251 -4.852 1.00 0.00 C ATOM 471 C ASP A 385 -10.370 -6.278 -3.358 1.00 0.00 C ATOM 472 O ASP A 385 -9.592 -5.466 -2.863 1.00 0.00 O ATOM 473 CB ASP A 385 -10.515 -7.654 -5.444 1.00 0.00 C ATOM 474 CG ASP A 385 -10.843 -7.697 -6.923 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.173 -6.987 -7.702 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.773 -8.442 -7.303 1.00 0.00 O ATOM 0 H ASP A 385 -8.997 -5.761 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.689 -5.917 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.494 -8.004 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.171 -8.341 -4.910 1.00 0.00 H new ATOM 481 N GLN A 386 -10.985 -7.215 -2.644 1.00 0.00 N ATOM 482 CA GLN A 386 -10.778 -7.334 -1.204 1.00 0.00 C ATOM 483 C GLN A 386 -9.287 -7.373 -0.875 1.00 0.00 C ATOM 484 O GLN A 386 -8.799 -6.590 -0.061 1.00 0.00 O ATOM 485 CB GLN A 386 -11.474 -8.595 -0.674 1.00 0.00 C ATOM 486 CG GLN A 386 -11.390 -8.766 0.838 1.00 0.00 C ATOM 487 CD GLN A 386 -10.006 -9.163 1.315 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.480 -10.207 0.929 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.408 -8.328 2.157 1.00 0.00 N ATOM 0 H GLN A 386 -11.629 -7.901 -3.037 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.213 -6.460 -0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.523 -8.568 -0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.032 -9.469 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.680 -7.832 1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.108 -9.524 1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -9.882 -7.474 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.475 -8.541 2.510 1.00 0.00 H new ATOM 498 N ASN A 387 -8.576 -8.289 -1.518 1.00 0.00 N ATOM 499 CA ASN A 387 -7.148 -8.447 -1.308 1.00 0.00 C ATOM 500 C ASN A 387 -6.367 -7.227 -1.791 1.00 0.00 C ATOM 501 O ASN A 387 -5.320 -6.892 -1.237 1.00 0.00 O ATOM 502 CB ASN A 387 -6.666 -9.697 -2.038 1.00 0.00 C ATOM 503 CG ASN A 387 -6.977 -9.660 -3.521 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.136 -9.557 -3.923 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.939 -9.745 -4.344 1.00 0.00 N ATOM 0 H ASN A 387 -8.973 -8.939 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.970 -8.548 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.590 -9.803 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.133 -10.576 -1.594 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.085 -9.726 -5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.995 -9.829 -3.967 1.00 0.00 H new ATOM 512 N GLU A 388 -6.870 -6.575 -2.836 1.00 0.00 N ATOM 513 CA GLU A 388 -6.202 -5.405 -3.401 1.00 0.00 C ATOM 514 C GLU A 388 -6.629 -4.116 -2.710 1.00 0.00 C ATOM 515 O GLU A 388 -6.055 -3.057 -2.964 1.00 0.00 O ATOM 516 CB GLU A 388 -6.481 -5.314 -4.903 1.00 0.00 C ATOM 517 CG GLU A 388 -5.941 -6.494 -5.695 1.00 0.00 C ATOM 518 CD GLU A 388 -6.207 -6.371 -7.182 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.392 -6.285 -7.568 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.232 -6.364 -7.963 1.00 0.00 O ATOM 0 H GLU A 388 -7.736 -6.836 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.131 -5.527 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.557 -5.243 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.041 -4.395 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.867 -6.578 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.394 -7.413 -5.324 1.00 0.00 H new ATOM 527 N CYS A 389 -7.632 -4.198 -1.841 1.00 0.00 N ATOM 528 CA CYS A 389 -8.110 -3.017 -1.135 1.00 0.00 C ATOM 529 C CYS A 389 -6.972 -2.404 -0.323 1.00 0.00 C ATOM 530 O CYS A 389 -6.650 -2.869 0.771 1.00 0.00 O ATOM 531 CB CYS A 389 -9.292 -3.377 -0.233 1.00 0.00 C ATOM 532 SG CYS A 389 -10.363 -1.960 0.174 1.00 0.00 S ATOM 0 H CYS A 389 -8.124 -5.061 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.454 -2.281 -1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.891 -4.144 -0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.912 -3.811 0.692 1.00 0.00 H new ATOM 537 N LYS A 390 -6.351 -1.374 -0.889 1.00 0.00 N ATOM 538 CA LYS A 390 -5.223 -0.699 -0.255 1.00 0.00 C ATOM 539 C LYS A 390 -5.645 0.122 0.958 1.00 0.00 C ATOM 540 O LYS A 390 -6.820 0.446 1.132 1.00 0.00 O ATOM 541 CB LYS A 390 -4.510 0.188 -1.270 1.00 0.00 C ATOM 542 CG LYS A 390 -3.883 -0.588 -2.418 1.00 0.00 C ATOM 543 CD LYS A 390 -3.244 0.344 -3.436 1.00 0.00 C ATOM 544 CE LYS A 390 -2.565 -0.429 -4.554 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.473 -1.302 -4.042 1.00 0.00 N ATOM 0 H LYS A 390 -6.613 -0.985 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.540 -1.470 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.221 0.908 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.733 0.758 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.131 -1.273 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.644 -1.196 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.005 1.000 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.513 0.982 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.304 -1.039 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.158 0.271 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.866 -1.598 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.905 -0.776 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.884 -2.142 -3.588 1.00 0.00 H new ATOM 559 N SER A 391 -4.662 0.446 1.796 1.00 0.00 N ATOM 560 CA SER A 391 -4.897 1.222 3.011 1.00 0.00 C ATOM 561 C SER A 391 -5.634 2.530 2.718 1.00 0.00 C ATOM 562 O SER A 391 -6.648 2.821 3.353 1.00 0.00 O ATOM 563 CB SER A 391 -3.572 1.516 3.716 1.00 0.00 C ATOM 564 OG SER A 391 -3.779 2.256 4.908 1.00 0.00 O ATOM 0 H SER A 391 -3.688 0.180 1.653 1.00 0.00 H new ATOM 0 HA SER A 391 -5.531 0.622 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.066 0.579 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.917 2.074 3.047 1.00 0.00 H new ATOM 0 HG SER A 391 -2.916 2.429 5.340 1.00 0.00 H new ATOM 570 N PRO A 392 -5.152 3.343 1.752 1.00 0.00 N ATOM 571 CA PRO A 392 -5.796 4.607 1.399 1.00 0.00 C ATOM 572 C PRO A 392 -7.280 4.423 1.133 1.00 0.00 C ATOM 573 O PRO A 392 -8.096 5.297 1.427 1.00 0.00 O ATOM 574 CB PRO A 392 -5.081 5.023 0.103 1.00 0.00 C ATOM 575 CG PRO A 392 -4.337 3.816 -0.344 1.00 0.00 C ATOM 576 CD PRO A 392 -3.964 3.117 0.916 1.00 0.00 C ATOM 0 HA PRO A 392 -5.722 5.344 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.796 5.346 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.404 5.859 0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.955 3.183 -0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.454 4.086 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.775 2.056 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.063 3.536 1.364 1.00 0.00 H new ATOM 584 N CYS A 393 -7.613 3.275 0.562 1.00 0.00 N ATOM 585 CA CYS A 393 -8.990 2.950 0.225 1.00 0.00 C ATOM 586 C CYS A 393 -9.847 2.775 1.476 1.00 0.00 C ATOM 587 O CYS A 393 -9.487 3.228 2.561 1.00 0.00 O ATOM 588 CB CYS A 393 -9.014 1.668 -0.603 1.00 0.00 C ATOM 589 SG CYS A 393 -7.919 1.710 -2.057 1.00 0.00 S ATOM 0 H CYS A 393 -6.941 2.547 0.321 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.408 3.776 -0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.726 0.831 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.035 1.480 -0.934 1.00 0.00 H new ATOM 594 N LYS A 394 -10.980 2.105 1.304 1.00 0.00 N ATOM 595 CA LYS A 394 -11.903 1.849 2.401 1.00 0.00 C ATOM 596 C LYS A 394 -12.830 0.697 2.045 1.00 0.00 C ATOM 597 O LYS A 394 -13.644 0.794 1.122 1.00 0.00 O ATOM 598 CB LYS A 394 -12.710 3.109 2.727 1.00 0.00 C ATOM 599 CG LYS A 394 -13.746 2.911 3.824 1.00 0.00 C ATOM 600 CD LYS A 394 -14.396 4.226 4.227 1.00 0.00 C ATOM 601 CE LYS A 394 -15.098 4.895 3.054 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.725 6.187 3.447 1.00 0.00 N ATOM 0 H LYS A 394 -11.283 1.726 0.407 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.329 1.574 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.024 3.901 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.214 3.450 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.512 2.217 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.272 2.457 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.115 4.046 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.637 4.898 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.380 5.069 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.862 4.226 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.193 6.611 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.428 6.018 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.992 6.835 3.801 1.00 0.00 H new ATOM 616 N TRP A 395 -12.680 -0.401 2.779 1.00 0.00 N ATOM 617 CA TRP A 395 -13.474 -1.599 2.552 1.00 0.00 C ATOM 618 C TRP A 395 -14.884 -1.453 3.119 1.00 0.00 C ATOM 619 O TRP A 395 -15.094 -0.779 4.127 1.00 0.00 O ATOM 620 CB TRP A 395 -12.787 -2.814 3.178 1.00 0.00 C ATOM 621 CG TRP A 395 -13.419 -4.118 2.801 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.983 -5.031 3.646 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.541 -4.661 1.482 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.458 -6.104 2.930 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.196 -5.901 1.600 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.163 -4.217 0.211 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.481 -6.701 0.497 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.445 -5.013 -0.883 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.098 -6.242 -0.735 1.00 0.00 C ATOM 0 H TRP A 395 -12.009 -0.484 3.543 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.556 -1.742 1.475 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.740 -2.826 2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.803 -2.712 4.263 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.046 -4.925 4.719 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.929 -6.919 3.324 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.660 -3.269 0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.986 -7.649 0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.156 -4.681 -1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.304 -6.840 -1.610 1.00 0.00 H new ATOM 640 N HIS A 396 -15.842 -2.106 2.468 1.00 0.00 N ATOM 641 CA HIS A 396 -17.231 -2.073 2.904 1.00 0.00 C ATOM 642 C HIS A 396 -17.849 -3.464 2.821 1.00 0.00 C ATOM 643 O HIS A 396 -17.996 -4.028 1.731 1.00 0.00 O ATOM 644 CB HIS A 396 -18.040 -1.089 2.058 1.00 0.00 C ATOM 645 CG HIS A 396 -17.655 0.342 2.273 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.763 0.974 3.495 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.166 1.269 1.415 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.358 2.225 3.379 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.990 2.430 2.127 1.00 0.00 N ATOM 0 H HIS A 396 -15.679 -2.667 1.632 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.253 -1.739 3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.911 -1.337 1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.099 -1.210 2.287 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.103 0.542 4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.954 1.122 0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.332 2.957 4.173 1.00 0.00 H new ATOM 658 N ASN A 397 -18.196 -4.007 3.987 1.00 0.00 N ATOM 659 CA ASN A 397 -18.792 -5.336 4.089 1.00 0.00 C ATOM 660 C ASN A 397 -20.301 -5.286 3.871 1.00 0.00 C ATOM 661 O ASN A 397 -20.948 -4.282 4.170 1.00 0.00 O ATOM 662 CB ASN A 397 -18.479 -5.946 5.460 1.00 0.00 C ATOM 663 CG ASN A 397 -19.002 -7.363 5.604 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.210 -7.598 5.581 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.091 -8.318 5.755 1.00 0.00 N ATOM 0 H ASN A 397 -18.072 -3.539 4.885 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.360 -5.961 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.400 -5.944 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.915 -5.321 6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.383 -9.290 5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.099 -8.079 5.768 1.00 0.00 H new ATOM 672 N ASP A 398 -20.851 -6.380 3.347 1.00 0.00 N ATOM 673 CA ASP A 398 -22.283 -6.479 3.083 1.00 0.00 C ATOM 674 C ASP A 398 -22.714 -5.401 2.091 1.00 0.00 C ATOM 675 O ASP A 398 -23.798 -4.829 2.199 1.00 0.00 O ATOM 676 CB ASP A 398 -23.076 -6.354 4.390 1.00 0.00 C ATOM 677 CG ASP A 398 -24.497 -6.880 4.273 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.271 -6.339 3.457 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.833 -7.837 5.001 1.00 0.00 O ATOM 0 H ASP A 398 -20.321 -7.215 3.096 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.491 -7.455 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.556 -6.899 5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.105 -5.307 4.692 1.00 0.00 H new ATOM 684 N ALA A 399 -21.848 -5.134 1.120 1.00 0.00 N ATOM 685 CA ALA A 399 -22.123 -4.135 0.095 1.00 0.00 C ATOM 686 C ALA A 399 -22.898 -4.752 -1.062 1.00 0.00 C ATOM 687 O ALA A 399 -23.089 -5.968 -1.111 1.00 0.00 O ATOM 688 CB ALA A 399 -20.822 -3.523 -0.404 1.00 0.00 C ATOM 0 H ALA A 399 -20.945 -5.598 1.021 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.735 -3.347 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.040 -2.778 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.301 -3.047 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.191 -4.305 -0.828 1.00 0.00 H new ATOM 694 N GLU A 400 -23.330 -3.914 -2.001 1.00 0.00 N ATOM 695 CA GLU A 400 -24.068 -4.389 -3.165 1.00 0.00 C ATOM 696 C GLU A 400 -23.270 -5.480 -3.865 1.00 0.00 C ATOM 697 O GLU A 400 -23.830 -6.386 -4.484 1.00 0.00 O ATOM 698 CB GLU A 400 -24.338 -3.233 -4.130 1.00 0.00 C ATOM 699 CG GLU A 400 -25.097 -2.079 -3.497 1.00 0.00 C ATOM 700 CD GLU A 400 -25.336 -0.937 -4.466 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.344 -0.359 -4.958 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.514 -0.621 -4.733 1.00 0.00 O ATOM 0 H GLU A 400 -23.182 -2.905 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.024 -4.797 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.388 -2.864 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.906 -3.607 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.055 -2.440 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.538 -1.710 -2.637 1.00 0.00 H new ATOM 709 N ASN A 401 -21.952 -5.375 -3.749 1.00 0.00 N ATOM 710 CA ASN A 401 -21.036 -6.332 -4.348 1.00 0.00 C ATOM 711 C ASN A 401 -19.616 -6.061 -3.866 1.00 0.00 C ATOM 712 O ASN A 401 -18.674 -6.027 -4.659 1.00 0.00 O ATOM 713 CB ASN A 401 -21.108 -6.252 -5.876 1.00 0.00 C ATOM 714 CG ASN A 401 -20.746 -4.880 -6.429 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.473 -3.920 -5.549 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.718 -4.684 -7.644 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.490 -4.624 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.325 -7.338 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.436 -6.996 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.117 -6.511 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.933 -5.445 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.479 -3.761 -8.006 1.00 0.00 H new ATOM 723 N LYS A 402 -19.483 -5.851 -2.554 1.00 0.00 N ATOM 724 CA LYS A 402 -18.192 -5.558 -1.937 1.00 0.00 C ATOM 725 C LYS A 402 -17.678 -4.206 -2.421 1.00 0.00 C ATOM 726 O LYS A 402 -17.601 -3.961 -3.625 1.00 0.00 O ATOM 727 CB LYS A 402 -17.177 -6.660 -2.260 1.00 0.00 C ATOM 728 CG LYS A 402 -17.667 -8.061 -1.927 1.00 0.00 C ATOM 729 CD LYS A 402 -18.015 -8.201 -0.452 1.00 0.00 C ATOM 730 CE LYS A 402 -18.534 -9.593 -0.136 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.916 -9.730 1.297 1.00 0.00 N ATOM 0 H LYS A 402 -20.262 -5.879 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.323 -5.520 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.930 -6.614 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.257 -6.466 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.544 -8.293 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.898 -8.787 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.132 -7.994 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.768 -7.460 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.398 -9.810 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.769 -10.330 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.265 -10.694 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.086 -9.548 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.664 -9.044 1.524 1.00 0.00 H new ATOM 745 N LYS A 403 -17.347 -3.316 -1.487 1.00 0.00 N ATOM 746 CA LYS A 403 -16.872 -1.988 -1.869 1.00 0.00 C ATOM 747 C LYS A 403 -15.511 -1.652 -1.263 1.00 0.00 C ATOM 748 O LYS A 403 -15.210 -2.016 -0.129 1.00 0.00 O ATOM 749 CB LYS A 403 -17.896 -0.923 -1.478 1.00 0.00 C ATOM 750 CG LYS A 403 -19.230 -1.077 -2.190 1.00 0.00 C ATOM 751 CD LYS A 403 -20.185 0.060 -1.854 1.00 0.00 C ATOM 752 CE LYS A 403 -19.687 1.391 -2.399 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.555 1.369 -3.882 1.00 0.00 N ATOM 0 H LYS A 403 -17.397 -3.484 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.749 -1.998 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.060 -0.966 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.486 0.063 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.066 -1.107 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.684 -2.028 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.170 -0.157 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.302 0.130 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.376 2.183 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.722 1.628 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.989 2.225 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.548 1.338 -4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.035 0.528 -4.261 1.00 0.00 H new ATOM 767 N CYS A 404 -14.704 -0.934 -2.041 1.00 0.00 N ATOM 768 CA CYS A 404 -13.374 -0.506 -1.617 1.00 0.00 C ATOM 769 C CYS A 404 -13.108 0.905 -2.136 1.00 0.00 C ATOM 770 O CYS A 404 -12.272 1.104 -3.013 1.00 0.00 O ATOM 771 CB CYS A 404 -12.294 -1.461 -2.142 1.00 0.00 C ATOM 772 SG CYS A 404 -10.605 -1.019 -1.615 1.00 0.00 S ATOM 0 H CYS A 404 -14.954 -0.633 -2.983 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.337 -0.516 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.519 -2.472 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.333 -1.476 -3.231 1.00 0.00 H new ATOM 777 N THR A 405 -13.852 1.874 -1.610 1.00 0.00 N ATOM 778 CA THR A 405 -13.720 3.265 -2.041 1.00 0.00 C ATOM 779 C THR A 405 -12.560 3.982 -1.357 1.00 0.00 C ATOM 780 O THR A 405 -12.280 3.757 -0.180 1.00 0.00 O ATOM 781 CB THR A 405 -15.014 4.059 -1.782 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.350 4.009 -0.391 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.163 3.506 -2.611 1.00 0.00 C ATOM 0 H THR A 405 -14.553 1.723 -0.885 1.00 0.00 H new ATOM 0 HA THR A 405 -13.520 3.225 -3.112 1.00 0.00 H new ATOM 0 HB THR A 405 -14.844 5.095 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.173 4.518 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.066 4.083 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.914 3.576 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.333 2.462 -2.347 1.00 0.00 H new ATOM 791 N LEU A 406 -11.899 4.860 -2.111 1.00 0.00 N ATOM 792 CA LEU A 406 -10.778 5.637 -1.600 1.00 0.00 C ATOM 793 C LEU A 406 -11.271 6.690 -0.617 1.00 0.00 C ATOM 794 O LEU A 406 -12.338 7.275 -0.803 1.00 0.00 O ATOM 795 CB LEU A 406 -10.026 6.296 -2.760 1.00 0.00 C ATOM 796 CG LEU A 406 -8.704 6.993 -2.408 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.948 8.357 -1.784 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.865 6.122 -1.486 1.00 0.00 C ATOM 0 H LEU A 406 -12.126 5.050 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.095 4.969 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.821 5.533 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.686 7.029 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.151 7.145 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.992 8.825 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.495 8.986 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.532 8.240 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.933 6.635 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.417 5.929 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.643 5.177 -1.981 1.00 0.00 H new ATOM 810 N ASP A 407 -10.488 6.928 0.424 1.00 0.00 N ATOM 811 CA ASP A 407 -10.845 7.915 1.435 1.00 0.00 C ATOM 812 C ASP A 407 -9.757 8.979 1.551 1.00 0.00 C ATOM 813 O ASP A 407 -8.580 8.661 1.709 1.00 0.00 O ATOM 814 CB ASP A 407 -11.067 7.233 2.787 1.00 0.00 C ATOM 815 CG ASP A 407 -11.555 8.195 3.856 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.739 9.390 3.543 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.759 7.750 5.004 1.00 0.00 O ATOM 0 H ASP A 407 -9.602 6.452 0.592 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.772 8.401 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.793 6.429 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.134 6.774 3.115 1.00 0.00 H new ATOM 822 N LYS A 408 -10.161 10.242 1.464 1.00 0.00 N ATOM 823 CA LYS A 408 -9.223 11.354 1.549 1.00 0.00 C ATOM 824 C LYS A 408 -8.608 11.456 2.940 1.00 0.00 C ATOM 825 O LYS A 408 -7.424 11.753 3.083 1.00 0.00 O ATOM 826 CB LYS A 408 -9.919 12.668 1.165 1.00 0.00 C ATOM 827 CG LYS A 408 -11.078 13.063 2.074 1.00 0.00 C ATOM 828 CD LYS A 408 -10.603 13.832 3.298 1.00 0.00 C ATOM 829 CE LYS A 408 -11.768 14.253 4.180 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.714 15.150 3.461 1.00 0.00 N ATOM 0 H LYS A 408 -11.134 10.521 1.334 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.413 11.168 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.181 13.470 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.289 12.583 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.787 13.674 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.611 12.167 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.915 13.213 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.048 14.715 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.300 13.367 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.387 14.762 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.342 15.614 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.178 15.872 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.283 14.591 2.794 1.00 0.00 H new ATOM 844 N GLU A 409 -9.423 11.218 3.961 1.00 0.00 N ATOM 845 CA GLU A 409 -8.970 11.293 5.343 1.00 0.00 C ATOM 846 C GLU A 409 -7.964 10.191 5.668 1.00 0.00 C ATOM 847 O GLU A 409 -6.925 10.446 6.278 1.00 0.00 O ATOM 848 CB GLU A 409 -10.169 11.200 6.285 1.00 0.00 C ATOM 849 CG GLU A 409 -9.800 11.290 7.755 1.00 0.00 C ATOM 850 CD GLU A 409 -9.229 12.644 8.139 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.163 13.535 7.266 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.853 12.814 9.319 1.00 0.00 O ATOM 0 H GLU A 409 -10.407 10.970 3.855 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.468 12.251 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.870 12.000 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.687 10.258 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.685 11.090 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.071 10.514 7.990 1.00 0.00 H new ATOM 859 N GLU A 410 -8.282 8.965 5.272 1.00 0.00 N ATOM 860 CA GLU A 410 -7.407 7.828 5.535 1.00 0.00 C ATOM 861 C GLU A 410 -6.119 7.914 4.721 1.00 0.00 C ATOM 862 O GLU A 410 -5.035 7.640 5.234 1.00 0.00 O ATOM 863 CB GLU A 410 -8.133 6.515 5.238 1.00 0.00 C ATOM 864 CG GLU A 410 -9.347 6.282 6.126 1.00 0.00 C ATOM 865 CD GLU A 410 -10.035 4.960 5.849 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.547 4.205 4.984 1.00 0.00 O ATOM 867 OE2 GLU A 410 -11.062 4.679 6.501 1.00 0.00 O ATOM 0 H GLU A 410 -9.138 8.732 4.768 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.139 7.854 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.449 6.511 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.436 5.686 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.038 6.313 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -10.059 7.094 5.980 1.00 0.00 H new ATOM 874 N ALA A 411 -6.243 8.286 3.450 1.00 0.00 N ATOM 875 CA ALA A 411 -5.082 8.398 2.572 1.00 0.00 C ATOM 876 C ALA A 411 -4.149 9.527 3.004 1.00 0.00 C ATOM 877 O ALA A 411 -2.931 9.363 3.014 1.00 0.00 O ATOM 878 CB ALA A 411 -5.527 8.601 1.132 1.00 0.00 C ATOM 0 H ALA A 411 -7.133 8.514 3.006 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.523 7.465 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.651 8.683 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.132 7.752 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.117 9.514 1.059 1.00 0.00 H new ATOM 884 N LYS A 412 -4.719 10.675 3.354 1.00 0.00 N ATOM 885 CA LYS A 412 -3.915 11.815 3.779 1.00 0.00 C ATOM 886 C LYS A 412 -3.141 11.480 5.050 1.00 0.00 C ATOM 887 O LYS A 412 -1.997 11.901 5.222 1.00 0.00 O ATOM 888 CB LYS A 412 -4.790 13.051 4.005 1.00 0.00 C ATOM 889 CG LYS A 412 -5.740 12.925 5.187 1.00 0.00 C ATOM 890 CD LYS A 412 -6.589 14.175 5.366 1.00 0.00 C ATOM 891 CE LYS A 412 -5.742 15.390 5.708 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.577 16.604 5.928 1.00 0.00 N ATOM 0 H LYS A 412 -5.726 10.840 3.352 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.205 12.039 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.146 13.917 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.371 13.243 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.390 12.062 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.167 12.742 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.148 14.368 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.320 14.007 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.157 15.184 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.034 15.578 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.963 17.411 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.116 16.816 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.236 16.434 6.715 1.00 0.00 H new