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 Set 1.1: A 396 HIS : no HD1:sc= -0.343 K(o=-1.3,f=-2.5) USER MOD Set 1.2: A 405 THR OG1 : rot 150:sc= -0.937 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.77 F(o=-5.3!,f=-1.8) USER MOD Single : A 383 LYS NZ :NH3+ 168:sc= -0.0337 (180deg=-0.222) USER MOD Single : A 384 LYS NZ :NH3+ -113:sc= -2.22! (180deg=-6.34!) USER MOD Single : A 386 GLN : amide:sc= -2.01! C(o=-2!,f=-2!) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.367 F(o=-1.4,f=-0.37) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -129:sc= 0.0408 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -0.559 K(o=-0.56,f=-1.5) USER MOD Single : A 401 ASN : amide:sc= -1.98 X(o=-2,f=-2) USER MOD Single : A 402 LYS NZ :NH3+ -163:sc= -0.0697 (180deg=-0.325) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 166:sc= -0.0505 (180deg=-0.264) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc= -0.0284 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.697 6.043 -3.596 1.00 0.00 N ATOM 340 CA GLU A 376 -4.732 6.469 -2.663 1.00 0.00 C ATOM 341 C GLU A 376 -5.789 7.326 -3.344 1.00 0.00 C ATOM 342 O GLU A 376 -5.865 8.538 -3.140 1.00 0.00 O ATOM 343 CB GLU A 376 -4.110 7.230 -1.500 1.00 0.00 C ATOM 344 CG GLU A 376 -3.233 8.390 -1.937 1.00 0.00 C ATOM 345 CD GLU A 376 -2.499 9.042 -0.781 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.678 8.589 0.370 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.744 10.006 -1.026 1.00 0.00 O ATOM 0 HA GLU A 376 -5.225 5.573 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.905 7.608 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.515 6.540 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.507 8.035 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.849 9.137 -2.437 1.00 0.00 H new ATOM 354 N THR A 377 -6.609 6.674 -4.140 1.00 0.00 N ATOM 355 CA THR A 377 -7.686 7.340 -4.854 1.00 0.00 C ATOM 356 C THR A 377 -8.884 6.420 -4.992 1.00 0.00 C ATOM 357 O THR A 377 -8.733 5.211 -5.171 1.00 0.00 O ATOM 358 CB THR A 377 -7.252 7.803 -6.257 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.769 6.687 -7.015 1.00 0.00 O ATOM 360 CG2 THR A 377 -6.173 8.872 -6.175 1.00 0.00 C ATOM 0 H THR A 377 -6.551 5.670 -4.313 1.00 0.00 H new ATOM 0 HA THR A 377 -7.954 8.218 -4.267 1.00 0.00 H new ATOM 0 HB THR A 377 -8.122 8.232 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.497 6.990 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.887 9.179 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.555 9.734 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.302 8.471 -5.657 1.00 0.00 H new ATOM 368 N GLU A 378 -10.073 6.999 -4.902 1.00 0.00 N ATOM 369 CA GLU A 378 -11.302 6.231 -5.014 1.00 0.00 C ATOM 370 C GLU A 378 -11.297 5.416 -6.296 1.00 0.00 C ATOM 371 O GLU A 378 -11.736 4.270 -6.322 1.00 0.00 O ATOM 372 CB GLU A 378 -12.514 7.161 -4.990 1.00 0.00 C ATOM 373 CG GLU A 378 -13.845 6.428 -5.020 1.00 0.00 C ATOM 374 CD GLU A 378 -15.031 7.371 -4.982 1.00 0.00 C ATOM 375 OE1 GLU A 378 -15.146 8.139 -4.004 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.845 7.341 -5.929 1.00 0.00 O ATOM 0 H GLU A 378 -10.211 7.998 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.365 5.551 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.469 7.779 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.461 7.835 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.899 5.818 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.900 5.747 -4.171 1.00 0.00 H new ATOM 383 N GLY A 379 -10.794 6.028 -7.357 1.00 0.00 N ATOM 384 CA GLY A 379 -10.737 5.362 -8.640 1.00 0.00 C ATOM 385 C GLY A 379 -9.898 4.101 -8.629 1.00 0.00 C ATOM 386 O GLY A 379 -10.242 3.128 -9.294 1.00 0.00 O ATOM 0 H GLY A 379 -10.423 6.978 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.750 5.112 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.333 6.052 -9.381 1.00 0.00 H new ATOM 390 N SER A 380 -8.793 4.116 -7.890 1.00 0.00 N ATOM 391 CA SER A 380 -7.906 2.959 -7.824 1.00 0.00 C ATOM 392 C SER A 380 -8.478 1.851 -6.944 1.00 0.00 C ATOM 393 O SER A 380 -8.438 0.677 -7.308 1.00 0.00 O ATOM 394 CB SER A 380 -6.537 3.377 -7.306 1.00 0.00 C ATOM 395 OG SER A 380 -5.661 2.266 -7.220 1.00 0.00 O ATOM 0 H SER A 380 -8.491 4.913 -7.330 1.00 0.00 H new ATOM 0 HA SER A 380 -7.809 2.563 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.109 4.130 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.642 3.838 -6.324 1.00 0.00 H new ATOM 0 HG SER A 380 -4.789 2.562 -6.886 1.00 0.00 H new ATOM 401 N CYS A 381 -8.991 2.228 -5.781 1.00 0.00 N ATOM 402 CA CYS A 381 -9.549 1.264 -4.834 1.00 0.00 C ATOM 403 C CYS A 381 -10.668 0.431 -5.454 1.00 0.00 C ATOM 404 O CYS A 381 -10.714 -0.786 -5.274 1.00 0.00 O ATOM 405 CB CYS A 381 -10.061 1.990 -3.595 1.00 0.00 C ATOM 406 SG CYS A 381 -8.778 2.944 -2.728 1.00 0.00 S ATOM 0 H CYS A 381 -9.034 3.198 -5.467 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.750 0.578 -4.553 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.868 2.663 -3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.487 1.260 -2.906 1.00 0.00 H new ATOM 411 N ASN A 382 -11.569 1.088 -6.178 1.00 0.00 N ATOM 412 CA ASN A 382 -12.687 0.401 -6.818 1.00 0.00 C ATOM 413 C ASN A 382 -12.183 -0.730 -7.702 1.00 0.00 C ATOM 414 O ASN A 382 -12.887 -1.710 -7.948 1.00 0.00 O ATOM 415 CB ASN A 382 -13.505 1.383 -7.662 1.00 0.00 C ATOM 416 CG ASN A 382 -13.959 2.601 -6.879 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.622 2.650 -5.596 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.607 3.493 -7.426 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.547 2.095 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.322 -0.014 -6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.907 1.707 -8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.379 0.869 -8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.846 3.417 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.905 4.308 -6.891 1.00 0.00 H new ATOM 425 N LYS A 383 -10.956 -0.575 -8.180 1.00 0.00 N ATOM 426 CA LYS A 383 -10.331 -1.561 -9.044 1.00 0.00 C ATOM 427 C LYS A 383 -9.765 -2.706 -8.217 1.00 0.00 C ATOM 428 O LYS A 383 -9.835 -3.872 -8.605 1.00 0.00 O ATOM 429 CB LYS A 383 -9.208 -0.896 -9.838 1.00 0.00 C ATOM 430 CG LYS A 383 -9.498 0.556 -10.196 1.00 0.00 C ATOM 431 CD LYS A 383 -8.307 1.221 -10.861 1.00 0.00 C ATOM 432 CE LYS A 383 -7.929 0.529 -12.163 1.00 0.00 C ATOM 433 NZ LYS A 383 -9.055 0.525 -13.137 1.00 0.00 N ATOM 0 H LYS A 383 -10.370 0.235 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.079 -1.961 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.286 -0.942 -9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.037 -1.461 -10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.359 0.601 -10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.765 1.107 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -8.539 2.268 -11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -7.455 1.206 -10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -7.069 1.032 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -7.626 -0.497 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -8.705 0.233 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.787 -0.141 -12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.461 1.480 -13.202 1.00 0.00 H new ATOM 447 N LYS A 384 -9.184 -2.346 -7.079 1.00 0.00 N ATOM 448 CA LYS A 384 -8.570 -3.304 -6.176 1.00 0.00 C ATOM 449 C LYS A 384 -9.605 -4.143 -5.432 1.00 0.00 C ATOM 450 O LYS A 384 -10.532 -3.608 -4.823 1.00 0.00 O ATOM 451 CB LYS A 384 -7.695 -2.550 -5.177 1.00 0.00 C ATOM 452 CG LYS A 384 -6.351 -2.090 -5.733 1.00 0.00 C ATOM 453 CD LYS A 384 -6.466 -1.447 -7.108 1.00 0.00 C ATOM 454 CE LYS A 384 -6.161 -2.439 -8.219 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.255 -1.811 -9.566 1.00 0.00 N ATOM 0 H LYS A 384 -9.127 -1.379 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 384 -7.968 -3.992 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.243 -1.678 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.516 -3.191 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -5.902 -1.377 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.677 -2.944 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.472 -1.049 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.779 -0.604 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.160 -2.846 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.857 -3.276 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.058 -2.220 -10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.396 -0.786 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.376 -1.988 -10.093 1.00 0.00 H new ATOM 469 N ASP A 385 -9.422 -5.461 -5.464 1.00 0.00 N ATOM 470 CA ASP A 385 -10.322 -6.375 -4.770 1.00 0.00 C ATOM 471 C ASP A 385 -10.026 -6.353 -3.276 1.00 0.00 C ATOM 472 O ASP A 385 -9.163 -5.602 -2.828 1.00 0.00 O ATOM 473 CB ASP A 385 -10.171 -7.797 -5.316 1.00 0.00 C ATOM 474 CG ASP A 385 -10.511 -7.892 -6.791 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.862 -6.853 -7.389 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.427 -9.006 -7.347 1.00 0.00 O ATOM 0 H ASP A 385 -8.659 -5.918 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.349 -6.050 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.147 -8.136 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.818 -8.469 -4.753 1.00 0.00 H new ATOM 481 N GLN A 386 -10.736 -7.176 -2.510 1.00 0.00 N ATOM 482 CA GLN A 386 -10.535 -7.233 -1.064 1.00 0.00 C ATOM 483 C GLN A 386 -9.047 -7.330 -0.733 1.00 0.00 C ATOM 484 O GLN A 386 -8.531 -6.574 0.090 1.00 0.00 O ATOM 485 CB GLN A 386 -11.288 -8.433 -0.473 1.00 0.00 C ATOM 486 CG GLN A 386 -11.428 -8.397 1.044 1.00 0.00 C ATOM 487 CD GLN A 386 -10.096 -8.448 1.768 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.335 -9.406 1.628 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.807 -7.413 2.550 1.00 0.00 N ATOM 0 H GLN A 386 -11.453 -7.810 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 386 -10.928 -6.317 -0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.282 -8.478 -0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.770 -9.349 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.956 -7.488 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.042 -9.238 1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.467 -6.640 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.926 -7.392 3.063 1.00 0.00 H new ATOM 498 N ASN A 387 -8.364 -8.262 -1.387 1.00 0.00 N ATOM 499 CA ASN A 387 -6.936 -8.463 -1.173 1.00 0.00 C ATOM 500 C ASN A 387 -6.136 -7.259 -1.670 1.00 0.00 C ATOM 501 O ASN A 387 -5.163 -6.844 -1.041 1.00 0.00 O ATOM 502 CB ASN A 387 -6.479 -9.737 -1.894 1.00 0.00 C ATOM 503 CG ASN A 387 -5.029 -10.106 -1.624 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.365 -9.365 -0.745 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -4.511 -11.063 -2.200 1.00 0.00 N flip ATOM 0 H ASN A 387 -8.778 -8.893 -2.073 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.756 -8.571 -0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.118 -10.566 -1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.617 -9.606 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.053 -11.609 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -3.540 -11.309 -2.008 1.00 0.00 H new ATOM 512 N GLU A 388 -6.554 -6.708 -2.804 1.00 0.00 N ATOM 513 CA GLU A 388 -5.879 -5.559 -3.396 1.00 0.00 C ATOM 514 C GLU A 388 -6.266 -4.266 -2.692 1.00 0.00 C ATOM 515 O GLU A 388 -5.686 -3.212 -2.959 1.00 0.00 O ATOM 516 CB GLU A 388 -6.199 -5.469 -4.888 1.00 0.00 C ATOM 517 CG GLU A 388 -5.754 -6.688 -5.681 1.00 0.00 C ATOM 518 CD GLU A 388 -6.093 -6.581 -7.154 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.292 -6.458 -7.481 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.159 -6.622 -7.983 1.00 0.00 O ATOM 0 H GLU A 388 -7.360 -7.040 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.805 -5.698 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.274 -5.337 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.719 -4.582 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.678 -6.817 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.227 -7.579 -5.267 1.00 0.00 H new ATOM 527 N CYS A 389 -7.239 -4.346 -1.788 1.00 0.00 N ATOM 528 CA CYS A 389 -7.677 -3.169 -1.052 1.00 0.00 C ATOM 529 C CYS A 389 -6.485 -2.592 -0.294 1.00 0.00 C ATOM 530 O CYS A 389 -6.084 -3.110 0.749 1.00 0.00 O ATOM 531 CB CYS A 389 -8.816 -3.537 -0.099 1.00 0.00 C ATOM 532 SG CYS A 389 -9.898 -2.143 0.361 1.00 0.00 S ATOM 0 H CYS A 389 -7.734 -5.206 -1.551 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.056 -2.415 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.424 -4.314 -0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.390 -3.964 0.809 1.00 0.00 H new ATOM 537 N LYS A 390 -5.900 -1.544 -0.861 1.00 0.00 N ATOM 538 CA LYS A 390 -4.718 -0.906 -0.293 1.00 0.00 C ATOM 539 C LYS A 390 -5.021 -0.153 0.999 1.00 0.00 C ATOM 540 O LYS A 390 -6.177 0.127 1.315 1.00 0.00 O ATOM 541 CB LYS A 390 -4.100 0.026 -1.327 1.00 0.00 C ATOM 542 CG LYS A 390 -3.657 -0.696 -2.591 1.00 0.00 C ATOM 543 CD LYS A 390 -3.107 0.275 -3.624 1.00 0.00 C ATOM 544 CE LYS A 390 -2.661 -0.447 -4.885 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.105 0.494 -5.895 1.00 0.00 N ATOM 0 H LYS A 390 -6.230 -1.113 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.009 -1.691 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.824 0.797 -1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.242 0.532 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -2.894 -1.434 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.501 -1.240 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.870 1.011 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.265 0.821 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.908 -1.192 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.507 -0.983 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.812 -0.037 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.832 1.190 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.282 0.987 -5.494 1.00 0.00 H new ATOM 559 N SER A 391 -3.959 0.149 1.749 1.00 0.00 N ATOM 560 CA SER A 391 -4.078 0.851 3.027 1.00 0.00 C ATOM 561 C SER A 391 -4.991 2.071 2.921 1.00 0.00 C ATOM 562 O SER A 391 -5.956 2.181 3.675 1.00 0.00 O ATOM 563 CB SER A 391 -2.698 1.269 3.538 1.00 0.00 C ATOM 564 OG SER A 391 -2.792 1.905 4.802 1.00 0.00 O ATOM 0 H SER A 391 -3.000 -0.084 1.490 1.00 0.00 H new ATOM 0 HA SER A 391 -4.529 0.159 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.055 0.392 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.231 1.945 2.821 1.00 0.00 H new ATOM 0 HG SER A 391 -1.896 2.161 5.107 1.00 0.00 H new ATOM 570 N PRO A 392 -4.722 3.004 1.982 1.00 0.00 N ATOM 571 CA PRO A 392 -5.554 4.192 1.804 1.00 0.00 C ATOM 572 C PRO A 392 -7.014 3.819 1.641 1.00 0.00 C ATOM 573 O PRO A 392 -7.911 4.512 2.122 1.00 0.00 O ATOM 574 CB PRO A 392 -5.027 4.807 0.500 1.00 0.00 C ATOM 575 CG PRO A 392 -4.202 3.745 -0.132 1.00 0.00 C ATOM 576 CD PRO A 392 -3.618 2.992 1.010 1.00 0.00 C ATOM 0 HA PRO A 392 -5.502 4.866 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.847 5.108 -0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.434 5.700 0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.808 3.097 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.424 4.172 -0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.334 1.978 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.724 3.476 1.403 1.00 0.00 H new ATOM 584 N CYS A 393 -7.234 2.714 0.943 1.00 0.00 N ATOM 585 CA CYS A 393 -8.575 2.220 0.682 1.00 0.00 C ATOM 586 C CYS A 393 -9.235 1.704 1.957 1.00 0.00 C ATOM 587 O CYS A 393 -8.800 2.008 3.069 1.00 0.00 O ATOM 588 CB CYS A 393 -8.514 1.094 -0.351 1.00 0.00 C ATOM 589 SG CYS A 393 -7.616 1.524 -1.876 1.00 0.00 S ATOM 0 H CYS A 393 -6.492 2.139 0.545 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.172 3.047 0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.039 0.225 0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.531 0.801 -0.612 1.00 0.00 H new ATOM 594 N LYS A 394 -10.285 0.911 1.773 1.00 0.00 N ATOM 595 CA LYS A 394 -11.028 0.324 2.880 1.00 0.00 C ATOM 596 C LYS A 394 -12.118 -0.589 2.341 1.00 0.00 C ATOM 597 O LYS A 394 -12.902 -0.190 1.482 1.00 0.00 O ATOM 598 CB LYS A 394 -11.638 1.418 3.762 1.00 0.00 C ATOM 599 CG LYS A 394 -12.467 0.881 4.920 1.00 0.00 C ATOM 600 CD LYS A 394 -12.932 1.997 5.844 1.00 0.00 C ATOM 601 CE LYS A 394 -13.804 3.009 5.116 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.247 4.107 6.017 1.00 0.00 N ATOM 0 H LYS A 394 -10.644 0.658 0.853 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.342 -0.262 3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -10.836 2.041 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.266 2.061 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.333 0.346 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -11.877 0.161 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.490 1.570 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.064 2.503 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.250 3.429 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.677 2.505 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.278 4.221 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.993 3.875 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -13.780 4.994 5.739 1.00 0.00 H new ATOM 616 N TRP A 395 -12.157 -1.820 2.834 1.00 0.00 N ATOM 617 CA TRP A 395 -13.148 -2.782 2.377 1.00 0.00 C ATOM 618 C TRP A 395 -14.552 -2.312 2.723 1.00 0.00 C ATOM 619 O TRP A 395 -15.009 -2.469 3.857 1.00 0.00 O ATOM 620 CB TRP A 395 -12.885 -4.155 3.001 1.00 0.00 C ATOM 621 CG TRP A 395 -13.835 -5.214 2.531 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.615 -6.018 3.311 1.00 0.00 C ATOM 623 CD2 TRP A 395 -14.100 -5.590 1.174 1.00 0.00 C ATOM 624 NE1 TRP A 395 -15.355 -6.866 2.523 1.00 0.00 N ATOM 625 CE2 TRP A 395 -15.055 -6.624 1.207 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.624 -5.151 -0.065 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -15.542 -7.225 0.049 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -14.108 -5.748 -1.214 1.00 0.00 C ATOM 629 CH2 TRP A 395 -15.058 -6.775 -1.150 1.00 0.00 C ATOM 0 H TRP A 395 -11.518 -2.173 3.546 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.068 -2.866 1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.866 -4.463 2.768 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.953 -4.072 4.086 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.646 -5.991 4.390 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -16.019 -7.562 2.862 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.891 -4.360 -0.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -16.275 -8.017 0.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.748 -5.417 -2.177 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -15.416 -7.221 -2.066 1.00 0.00 H new ATOM 640 N HIS A 396 -15.237 -1.735 1.740 1.00 0.00 N ATOM 641 CA HIS A 396 -16.591 -1.245 1.949 1.00 0.00 C ATOM 642 C HIS A 396 -17.562 -2.414 2.029 1.00 0.00 C ATOM 643 O HIS A 396 -17.992 -2.954 1.003 1.00 0.00 O ATOM 644 CB HIS A 396 -16.999 -0.295 0.822 1.00 0.00 C ATOM 645 CG HIS A 396 -18.214 0.519 1.129 1.00 0.00 C ATOM 646 ND1 HIS A 396 -19.444 -0.034 1.413 1.00 0.00 N ATOM 647 CD2 HIS A 396 -18.381 1.860 1.194 1.00 0.00 C ATOM 648 CE1 HIS A 396 -20.317 0.931 1.641 1.00 0.00 C ATOM 649 NE2 HIS A 396 -19.696 2.091 1.514 1.00 0.00 N ATOM 0 H HIS A 396 -14.877 -1.597 0.796 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.620 -0.695 2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -16.168 0.377 0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -17.181 -0.876 -0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.621 2.609 1.026 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -21.359 0.795 1.889 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -20.124 3.009 1.634 1.00 0.00 H new ATOM 658 N ASN A 397 -17.899 -2.800 3.257 1.00 0.00 N ATOM 659 CA ASN A 397 -18.817 -3.903 3.489 1.00 0.00 C ATOM 660 C ASN A 397 -20.240 -3.504 3.128 1.00 0.00 C ATOM 661 O ASN A 397 -20.667 -2.378 3.389 1.00 0.00 O ATOM 662 CB ASN A 397 -18.744 -4.363 4.948 1.00 0.00 C ATOM 663 CG ASN A 397 -19.013 -3.237 5.927 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.100 -2.660 5.946 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.020 -2.919 6.748 1.00 0.00 N ATOM 0 H ASN A 397 -17.546 -2.361 4.107 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.522 -4.734 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.468 -5.162 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.757 -4.782 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.142 -2.170 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.135 -3.424 6.698 1.00 0.00 H new ATOM 672 N ASP A 398 -20.965 -4.432 2.517 1.00 0.00 N ATOM 673 CA ASP A 398 -22.341 -4.187 2.105 1.00 0.00 C ATOM 674 C ASP A 398 -22.416 -3.015 1.132 1.00 0.00 C ATOM 675 O ASP A 398 -23.379 -2.246 1.144 1.00 0.00 O ATOM 676 CB ASP A 398 -23.225 -3.918 3.324 1.00 0.00 C ATOM 677 CG ASP A 398 -23.256 -5.089 4.286 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.677 -6.189 3.870 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.858 -4.906 5.456 1.00 0.00 O ATOM 0 H ASP A 398 -20.621 -5.366 2.295 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.706 -5.080 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.861 -3.033 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.239 -3.697 2.992 1.00 0.00 H new ATOM 684 N ALA A 399 -21.402 -2.894 0.276 1.00 0.00 N ATOM 685 CA ALA A 399 -21.363 -1.827 -0.718 1.00 0.00 C ATOM 686 C ALA A 399 -22.478 -2.035 -1.742 1.00 0.00 C ATOM 687 O ALA A 399 -23.465 -2.712 -1.454 1.00 0.00 O ATOM 688 CB ALA A 399 -19.994 -1.798 -1.397 1.00 0.00 C ATOM 0 H ALA A 399 -20.598 -3.522 0.252 1.00 0.00 H new ATOM 0 HA ALA A 399 -21.521 -0.866 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -19.972 -0.999 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.221 -1.621 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.811 -2.754 -1.889 1.00 0.00 H new ATOM 694 N GLU A 400 -22.317 -1.484 -2.943 1.00 0.00 N ATOM 695 CA GLU A 400 -23.322 -1.666 -3.985 1.00 0.00 C ATOM 696 C GLU A 400 -23.518 -3.157 -4.211 1.00 0.00 C ATOM 697 O GLU A 400 -24.628 -3.635 -4.443 1.00 0.00 O ATOM 698 CB GLU A 400 -22.882 -0.987 -5.286 1.00 0.00 C ATOM 699 CG GLU A 400 -22.678 0.515 -5.151 1.00 0.00 C ATOM 700 CD GLU A 400 -22.238 1.160 -6.451 1.00 0.00 C ATOM 701 OE1 GLU A 400 -23.000 1.087 -7.439 1.00 0.00 O ATOM 702 OE2 GLU A 400 -21.132 1.740 -6.481 1.00 0.00 O ATOM 0 H GLU A 400 -21.514 -0.917 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.260 -1.209 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -21.952 -1.442 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.630 -1.176 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -23.607 0.976 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -21.931 0.709 -4.382 1.00 0.00 H new ATOM 709 N ASN A 401 -22.406 -3.874 -4.105 1.00 0.00 N ATOM 710 CA ASN A 401 -22.359 -5.323 -4.256 1.00 0.00 C ATOM 711 C ASN A 401 -21.072 -5.821 -3.616 1.00 0.00 C ATOM 712 O ASN A 401 -20.419 -6.735 -4.122 1.00 0.00 O ATOM 713 CB ASN A 401 -22.388 -5.715 -5.735 1.00 0.00 C ATOM 714 CG ASN A 401 -23.639 -5.237 -6.440 1.00 0.00 C ATOM 715 OD1 ASN A 401 -24.720 -5.799 -6.268 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.497 -4.170 -7.213 1.00 0.00 N ATOM 0 H ASN A 401 -21.496 -3.458 -3.908 1.00 0.00 H new ATOM 0 HA ASN A 401 -23.227 -5.771 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.513 -5.299 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.319 -6.799 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.306 -3.780 -7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.579 -3.739 -7.324 1.00 0.00 H new ATOM 723 N LYS A 402 -20.707 -5.168 -2.512 1.00 0.00 N ATOM 724 CA LYS A 402 -19.479 -5.477 -1.781 1.00 0.00 C ATOM 725 C LYS A 402 -18.279 -5.039 -2.613 1.00 0.00 C ATOM 726 O LYS A 402 -18.059 -5.565 -3.704 1.00 0.00 O ATOM 727 CB LYS A 402 -19.389 -6.978 -1.476 1.00 0.00 C ATOM 728 CG LYS A 402 -20.616 -7.538 -0.770 1.00 0.00 C ATOM 729 CD LYS A 402 -20.764 -6.980 0.638 1.00 0.00 C ATOM 730 CE LYS A 402 -19.648 -7.462 1.552 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.644 -8.945 1.692 1.00 0.00 N ATOM 0 H LYS A 402 -21.254 -4.411 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 402 -19.486 -4.940 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -19.240 -7.520 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -18.511 -7.161 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -21.508 -7.302 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -20.544 -8.625 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.759 -5.891 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -21.727 -7.281 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.687 -7.132 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.761 -7.005 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.078 -9.214 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.619 -9.285 1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.232 -9.373 0.839 1.00 0.00 H new ATOM 745 N LYS A 403 -17.509 -4.065 -2.118 1.00 0.00 N ATOM 746 CA LYS A 403 -16.356 -3.586 -2.877 1.00 0.00 C ATOM 747 C LYS A 403 -15.450 -2.655 -2.072 1.00 0.00 C ATOM 748 O LYS A 403 -15.905 -1.928 -1.195 1.00 0.00 O ATOM 749 CB LYS A 403 -16.825 -2.872 -4.148 1.00 0.00 C ATOM 750 CG LYS A 403 -17.740 -1.687 -3.879 1.00 0.00 C ATOM 751 CD LYS A 403 -18.152 -0.987 -5.165 1.00 0.00 C ATOM 752 CE LYS A 403 -16.961 -0.355 -5.868 1.00 0.00 C ATOM 753 NZ LYS A 403 -17.368 0.366 -7.105 1.00 0.00 N ATOM 0 H LYS A 403 -17.659 -3.605 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 403 -15.765 -4.466 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -15.953 -2.528 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.347 -3.586 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.630 -2.028 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.233 -0.977 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.630 -1.704 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.892 -0.219 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -16.465 0.339 -5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -16.235 -1.128 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -16.529 0.783 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.819 -0.301 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -18.041 1.121 -6.862 1.00 0.00 H new ATOM 767 N CYS A 404 -14.158 -2.681 -2.402 1.00 0.00 N ATOM 768 CA CYS A 404 -13.163 -1.836 -1.742 1.00 0.00 C ATOM 769 C CYS A 404 -13.311 -0.380 -2.191 1.00 0.00 C ATOM 770 O CYS A 404 -13.490 -0.106 -3.378 1.00 0.00 O ATOM 771 CB CYS A 404 -11.752 -2.342 -2.067 1.00 0.00 C ATOM 772 SG CYS A 404 -10.403 -1.297 -1.422 1.00 0.00 S ATOM 0 H CYS A 404 -13.774 -3.284 -3.129 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.324 -1.885 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -11.639 -3.348 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.648 -2.419 -3.149 1.00 0.00 H new ATOM 777 N THR A 405 -13.245 0.549 -1.239 1.00 0.00 N ATOM 778 CA THR A 405 -13.380 1.971 -1.545 1.00 0.00 C ATOM 779 C THR A 405 -12.338 2.810 -0.805 1.00 0.00 C ATOM 780 O THR A 405 -11.969 2.503 0.329 1.00 0.00 O ATOM 781 CB THR A 405 -14.787 2.488 -1.189 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.048 2.279 0.204 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.852 1.785 -2.020 1.00 0.00 C ATOM 0 H THR A 405 -13.099 0.343 -0.251 1.00 0.00 H new ATOM 0 HA THR A 405 -13.218 2.074 -2.618 1.00 0.00 H new ATOM 0 HB THR A 405 -14.823 3.555 -1.410 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.654 2.976 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.836 2.168 -1.750 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.669 1.970 -3.078 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.815 0.713 -1.828 1.00 0.00 H new ATOM 791 N LEU A 406 -11.867 3.870 -1.464 1.00 0.00 N ATOM 792 CA LEU A 406 -10.868 4.764 -0.889 1.00 0.00 C ATOM 793 C LEU A 406 -11.466 5.590 0.239 1.00 0.00 C ATOM 794 O LEU A 406 -12.619 6.015 0.172 1.00 0.00 O ATOM 795 CB LEU A 406 -10.295 5.680 -1.975 1.00 0.00 C ATOM 796 CG LEU A 406 -9.029 6.466 -1.604 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.368 7.718 -0.815 1.00 0.00 C ATOM 798 CD2 LEU A 406 -8.057 5.594 -0.825 1.00 0.00 C ATOM 0 H LEU A 406 -12.166 4.129 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.061 4.159 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -10.076 5.073 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -11.068 6.392 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.549 6.772 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.450 8.252 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -10.012 8.362 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.885 7.440 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.169 6.174 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.534 5.246 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.770 4.736 -1.433 1.00 0.00 H new ATOM 810 N ASP A 407 -10.668 5.813 1.270 1.00 0.00 N ATOM 811 CA ASP A 407 -11.105 6.590 2.424 1.00 0.00 C ATOM 812 C ASP A 407 -10.352 7.914 2.496 1.00 0.00 C ATOM 813 O ASP A 407 -9.134 7.955 2.335 1.00 0.00 O ATOM 814 CB ASP A 407 -10.899 5.792 3.712 1.00 0.00 C ATOM 815 CG ASP A 407 -11.436 6.514 4.932 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.646 6.823 4.953 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.649 6.768 5.866 1.00 0.00 O ATOM 0 H ASP A 407 -9.711 5.467 1.334 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.168 6.803 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.392 4.824 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.836 5.596 3.848 1.00 0.00 H new ATOM 822 N LYS A 408 -11.089 8.994 2.731 1.00 0.00 N ATOM 823 CA LYS A 408 -10.496 10.326 2.816 1.00 0.00 C ATOM 824 C LYS A 408 -9.587 10.453 4.035 1.00 0.00 C ATOM 825 O LYS A 408 -8.485 10.993 3.945 1.00 0.00 O ATOM 826 CB LYS A 408 -11.596 11.388 2.878 1.00 0.00 C ATOM 827 CG LYS A 408 -12.529 11.369 1.678 1.00 0.00 C ATOM 828 CD LYS A 408 -13.640 12.398 1.821 1.00 0.00 C ATOM 829 CE LYS A 408 -14.573 12.382 0.621 1.00 0.00 C ATOM 830 NZ LYS A 408 -15.219 11.052 0.436 1.00 0.00 N ATOM 0 H LYS A 408 -12.100 8.974 2.866 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.891 10.480 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -12.182 11.240 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -11.135 12.373 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.960 11.570 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -12.963 10.375 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -14.209 12.196 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.205 13.391 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -15.342 13.144 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -14.013 12.642 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -16.013 11.141 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.523 10.378 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -15.572 10.707 1.351 1.00 0.00 H new ATOM 844 N GLU A 409 -10.061 9.961 5.175 1.00 0.00 N ATOM 845 CA GLU A 409 -9.299 10.026 6.419 1.00 0.00 C ATOM 846 C GLU A 409 -8.006 9.220 6.324 1.00 0.00 C ATOM 847 O GLU A 409 -6.943 9.680 6.738 1.00 0.00 O ATOM 848 CB GLU A 409 -10.145 9.507 7.583 1.00 0.00 C ATOM 849 CG GLU A 409 -11.430 10.291 7.800 1.00 0.00 C ATOM 850 CD GLU A 409 -12.247 9.761 8.963 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.817 8.768 9.589 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.318 10.337 9.248 1.00 0.00 O ATOM 0 H GLU A 409 -10.972 9.511 5.264 1.00 0.00 H new ATOM 0 HA GLU A 409 -9.038 11.070 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.394 8.461 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.551 9.540 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.187 11.338 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.031 10.254 6.892 1.00 0.00 H new ATOM 859 N GLU A 410 -8.106 8.013 5.787 1.00 0.00 N ATOM 860 CA GLU A 410 -6.945 7.143 5.649 1.00 0.00 C ATOM 861 C GLU A 410 -5.967 7.688 4.611 1.00 0.00 C ATOM 862 O GLU A 410 -4.755 7.683 4.823 1.00 0.00 O ATOM 863 CB GLU A 410 -7.389 5.731 5.260 1.00 0.00 C ATOM 864 CG GLU A 410 -6.256 4.720 5.242 1.00 0.00 C ATOM 865 CD GLU A 410 -5.634 4.516 6.610 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.366 4.119 7.540 1.00 0.00 O ATOM 867 OE2 GLU A 410 -4.416 4.751 6.749 1.00 0.00 O ATOM 0 H GLU A 410 -8.978 7.613 5.440 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.434 7.107 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.154 5.394 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.851 5.764 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.631 3.766 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.488 5.053 4.544 1.00 0.00 H new ATOM 874 N ALA A 411 -6.504 8.150 3.486 1.00 0.00 N ATOM 875 CA ALA A 411 -5.681 8.689 2.406 1.00 0.00 C ATOM 876 C ALA A 411 -4.906 9.928 2.845 1.00 0.00 C ATOM 877 O ALA A 411 -3.724 10.064 2.536 1.00 0.00 O ATOM 878 CB ALA A 411 -6.544 9.013 1.197 1.00 0.00 C ATOM 0 H ALA A 411 -7.506 8.162 3.297 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.954 7.923 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.918 9.414 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.038 8.106 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -7.296 9.752 1.474 1.00 0.00 H new ATOM 884 N LYS A 412 -5.574 10.832 3.552 1.00 0.00 N ATOM 885 CA LYS A 412 -4.932 12.057 4.013 1.00 0.00 C ATOM 886 C LYS A 412 -3.793 11.750 4.981 1.00 0.00 C ATOM 887 O LYS A 412 -2.734 12.375 4.920 1.00 0.00 O ATOM 888 CB LYS A 412 -5.953 12.993 4.666 1.00 0.00 C ATOM 889 CG LYS A 412 -6.610 12.420 5.910 1.00 0.00 C ATOM 890 CD LYS A 412 -7.640 13.377 6.490 1.00 0.00 C ATOM 891 CE LYS A 412 -7.002 14.681 6.940 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.978 14.461 7.997 1.00 0.00 N ATOM 0 H LYS A 412 -6.555 10.741 3.817 1.00 0.00 H new ATOM 0 HA LYS A 412 -4.510 12.560 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.458 13.928 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -6.727 13.235 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -7.090 11.473 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.848 12.207 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -8.406 13.585 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -8.140 12.905 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.541 15.174 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.774 15.352 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.714 15.374 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.367 13.838 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.136 14.017 7.578 1.00 0.00 H new