USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=10 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= 0.0193 X(o=0.052,f=-0.36) USER MOD Set 1.2: A 405 THR OG1 : rot 180:sc= 0.0332 USER MOD Set 2.1: A 377 THR OG1 : rot -17:sc= 0.0715 USER MOD Set 2.2: A 380 SER OG : rot -26:sc= 0.53 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.75 F(o=-6!,f=-1.7) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) 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+ -167:sc=-0.00425 (180deg=-0.217) USER MOD Single : A 397 ASN :FLIP amide:sc= -0.378 F(o=-4.3!,f=-0.38) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.33 F(o=-0.47,f=0.33) USER MOD Single : A 402 LYS NZ :NH3+ -136:sc= -0.0437 (180deg=-0.3) USER MOD Single : A 403 LYS NZ :NH3+ 143:sc= -3.57! (180deg=-6.21!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.238 5.493 -3.334 1.00 0.00 N ATOM 340 CA GLU A 376 -3.926 5.153 -4.573 1.00 0.00 C ATOM 341 C GLU A 376 -4.840 6.296 -5.008 1.00 0.00 C ATOM 342 O GLU A 376 -4.565 7.462 -4.728 1.00 0.00 O ATOM 343 CB GLU A 376 -4.729 3.862 -4.378 1.00 0.00 C ATOM 344 CG GLU A 376 -3.905 2.708 -3.827 1.00 0.00 C ATOM 345 CD GLU A 376 -2.839 2.227 -4.794 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.763 2.769 -5.917 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.081 1.304 -4.429 1.00 0.00 O ATOM 0 HA GLU A 376 -3.188 4.994 -5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.560 4.060 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.161 3.565 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.430 3.019 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.569 1.878 -3.584 1.00 0.00 H new ATOM 354 N THR A 377 -5.926 5.953 -5.693 1.00 0.00 N ATOM 355 CA THR A 377 -6.886 6.938 -6.171 1.00 0.00 C ATOM 356 C THR A 377 -8.282 6.336 -6.208 1.00 0.00 C ATOM 357 O THR A 377 -8.434 5.123 -6.340 1.00 0.00 O ATOM 358 CB THR A 377 -6.520 7.450 -7.578 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.511 6.360 -8.509 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.157 8.125 -7.572 1.00 0.00 C ATOM 0 H THR A 377 -6.163 4.990 -5.931 1.00 0.00 H new ATOM 0 HA THR A 377 -6.862 7.780 -5.479 1.00 0.00 H new ATOM 0 HB THR A 377 -7.270 8.182 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.469 5.512 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.921 8.478 -8.576 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.173 8.971 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.399 7.411 -7.251 1.00 0.00 H new ATOM 368 N GLU A 378 -9.298 7.181 -6.071 1.00 0.00 N ATOM 369 CA GLU A 378 -10.678 6.711 -6.073 1.00 0.00 C ATOM 370 C GLU A 378 -10.934 5.784 -7.251 1.00 0.00 C ATOM 371 O GLU A 378 -11.626 4.775 -7.123 1.00 0.00 O ATOM 372 CB GLU A 378 -11.645 7.893 -6.116 1.00 0.00 C ATOM 373 CG GLU A 378 -13.098 7.487 -5.943 1.00 0.00 C ATOM 374 CD GLU A 378 -14.048 8.666 -6.021 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.919 9.588 -5.189 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.922 8.667 -6.914 1.00 0.00 O ATOM 0 H GLU A 378 -9.193 8.189 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.845 6.152 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.377 8.601 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.531 8.412 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.362 6.761 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.220 6.990 -4.980 1.00 0.00 H new ATOM 383 N GLY A 379 -10.371 6.138 -8.397 1.00 0.00 N ATOM 384 CA GLY A 379 -10.545 5.334 -9.589 1.00 0.00 C ATOM 385 C GLY A 379 -9.923 3.957 -9.475 1.00 0.00 C ATOM 386 O GLY A 379 -10.502 2.972 -9.933 1.00 0.00 O ATOM 0 H GLY A 379 -9.795 6.970 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.610 5.229 -9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.105 5.855 -10.439 1.00 0.00 H new ATOM 390 N SER A 380 -8.741 3.883 -8.875 1.00 0.00 N ATOM 391 CA SER A 380 -8.051 2.607 -8.723 1.00 0.00 C ATOM 392 C SER A 380 -8.733 1.724 -7.680 1.00 0.00 C ATOM 393 O SER A 380 -8.948 0.535 -7.910 1.00 0.00 O ATOM 394 CB SER A 380 -6.587 2.835 -8.340 1.00 0.00 C ATOM 395 OG SER A 380 -6.483 3.515 -7.103 1.00 0.00 O ATOM 0 H SER A 380 -8.243 4.685 -8.488 1.00 0.00 H new ATOM 0 HA SER A 380 -8.094 2.091 -9.682 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.071 1.877 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.090 3.413 -9.119 1.00 0.00 H new ATOM 0 HG SER A 380 -7.294 4.044 -6.951 1.00 0.00 H new ATOM 401 N CYS A 381 -9.060 2.314 -6.534 1.00 0.00 N ATOM 402 CA CYS A 381 -9.705 1.587 -5.444 1.00 0.00 C ATOM 403 C CYS A 381 -10.982 0.889 -5.902 1.00 0.00 C ATOM 404 O CYS A 381 -11.175 -0.297 -5.634 1.00 0.00 O ATOM 405 CB CYS A 381 -10.024 2.539 -4.292 1.00 0.00 C ATOM 406 SG CYS A 381 -8.557 3.308 -3.537 1.00 0.00 S ATOM 0 H CYS A 381 -8.888 3.299 -6.335 1.00 0.00 H new ATOM 0 HA CYS A 381 -9.007 0.821 -5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.686 3.325 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.571 1.992 -3.524 1.00 0.00 H new ATOM 411 N ASN A 382 -11.848 1.627 -6.590 1.00 0.00 N ATOM 412 CA ASN A 382 -13.106 1.069 -7.077 1.00 0.00 C ATOM 413 C ASN A 382 -12.849 -0.202 -7.873 1.00 0.00 C ATOM 414 O ASN A 382 -13.636 -1.149 -7.833 1.00 0.00 O ATOM 415 CB ASN A 382 -13.847 2.083 -7.955 1.00 0.00 C ATOM 416 CG ASN A 382 -14.136 3.394 -7.243 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.719 3.503 -5.986 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.730 4.304 -7.822 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.703 2.610 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.726 0.832 -6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.253 2.285 -8.846 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.787 1.645 -8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.034 4.181 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.918 5.181 -7.336 1.00 0.00 H new ATOM 425 N LYS A 383 -11.740 -0.208 -8.601 1.00 0.00 N ATOM 426 CA LYS A 383 -11.363 -1.348 -9.419 1.00 0.00 C ATOM 427 C LYS A 383 -10.780 -2.476 -8.570 1.00 0.00 C ATOM 428 O LYS A 383 -10.997 -3.652 -8.861 1.00 0.00 O ATOM 429 CB LYS A 383 -10.350 -0.914 -10.479 1.00 0.00 C ATOM 430 CG LYS A 383 -10.822 0.261 -11.324 1.00 0.00 C ATOM 431 CD LYS A 383 -12.087 -0.070 -12.104 1.00 0.00 C ATOM 432 CE LYS A 383 -11.847 -1.181 -13.115 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.079 -1.510 -13.882 1.00 0.00 N ATOM 0 H LYS A 383 -11.083 0.571 -8.640 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.262 -1.726 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.415 -0.646 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.136 -1.759 -11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.008 1.120 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.033 0.549 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.874 -0.371 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.441 0.822 -12.620 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.059 -0.879 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.493 -2.072 -12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.873 -2.271 -14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.823 -1.822 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.403 -0.666 -14.397 1.00 0.00 H new ATOM 447 N LYS A 384 -10.018 -2.116 -7.535 1.00 0.00 N ATOM 448 CA LYS A 384 -9.390 -3.092 -6.677 1.00 0.00 C ATOM 449 C LYS A 384 -10.368 -4.083 -6.093 1.00 0.00 C ATOM 450 O LYS A 384 -11.530 -3.776 -5.826 1.00 0.00 O ATOM 451 CB LYS A 384 -8.645 -2.399 -5.552 1.00 0.00 C ATOM 452 CG LYS A 384 -7.603 -1.432 -6.056 1.00 0.00 C ATOM 453 CD LYS A 384 -6.610 -2.113 -6.976 1.00 0.00 C ATOM 454 CE LYS A 384 -6.999 -1.961 -8.439 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.940 -2.474 -9.353 1.00 0.00 N ATOM 0 H LYS A 384 -9.827 -1.147 -7.279 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.696 -3.652 -7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.358 -1.865 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.165 -3.149 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.091 -0.615 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.074 -0.992 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.618 -1.689 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.548 -3.172 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.929 -2.498 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.188 -0.910 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.244 -2.352 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.059 -1.945 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.777 -3.483 -9.163 1.00 0.00 H new ATOM 469 N ASP A 385 -9.847 -5.267 -5.880 1.00 0.00 N ATOM 470 CA ASP A 385 -10.602 -6.362 -5.292 1.00 0.00 C ATOM 471 C ASP A 385 -10.418 -6.344 -3.781 1.00 0.00 C ATOM 472 O ASP A 385 -9.715 -5.486 -3.257 1.00 0.00 O ATOM 473 CB ASP A 385 -10.141 -7.702 -5.870 1.00 0.00 C ATOM 474 CG ASP A 385 -10.327 -7.774 -7.372 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.480 -7.643 -7.834 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.321 -7.962 -8.088 1.00 0.00 O ATOM 0 H ASP A 385 -8.882 -5.506 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.659 -6.238 -5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.089 -7.857 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.699 -8.510 -5.398 1.00 0.00 H new ATOM 481 N GLN A 386 -11.042 -7.285 -3.083 1.00 0.00 N ATOM 482 CA GLN A 386 -10.929 -7.348 -1.628 1.00 0.00 C ATOM 483 C GLN A 386 -9.471 -7.250 -1.190 1.00 0.00 C ATOM 484 O GLN A 386 -9.099 -6.356 -0.430 1.00 0.00 O ATOM 485 CB GLN A 386 -11.548 -8.647 -1.104 1.00 0.00 C ATOM 486 CG GLN A 386 -11.435 -8.818 0.403 1.00 0.00 C ATOM 487 CD GLN A 386 -12.010 -10.137 0.885 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.579 -11.208 0.456 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.985 -10.066 1.783 1.00 0.00 N ATOM 0 H GLN A 386 -11.628 -8.011 -3.496 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.471 -6.501 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.601 -8.676 -1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.064 -9.492 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.387 -8.755 0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.954 -7.997 0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.311 -9.157 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.408 -10.921 2.145 1.00 0.00 H new ATOM 498 N ASN A 387 -8.649 -8.167 -1.683 1.00 0.00 N ATOM 499 CA ASN A 387 -7.235 -8.185 -1.350 1.00 0.00 C ATOM 500 C ASN A 387 -6.511 -6.970 -1.927 1.00 0.00 C ATOM 501 O ASN A 387 -5.523 -6.500 -1.364 1.00 0.00 O ATOM 502 CB ASN A 387 -6.599 -9.473 -1.870 1.00 0.00 C ATOM 503 CG ASN A 387 -5.107 -9.518 -1.637 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.640 -9.442 -0.499 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.348 -9.644 -2.715 1.00 0.00 N ATOM 0 H ASN A 387 -8.941 -8.910 -2.318 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.140 -8.145 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.066 -10.328 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.800 -9.568 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.333 -9.682 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.779 -9.703 -3.638 1.00 0.00 H new ATOM 512 N GLU A 388 -7.004 -6.472 -3.057 1.00 0.00 N ATOM 513 CA GLU A 388 -6.397 -5.320 -3.715 1.00 0.00 C ATOM 514 C GLU A 388 -6.793 -4.012 -3.044 1.00 0.00 C ATOM 515 O GLU A 388 -6.137 -2.989 -3.244 1.00 0.00 O ATOM 516 CB GLU A 388 -6.785 -5.283 -5.192 1.00 0.00 C ATOM 517 CG GLU A 388 -6.328 -6.505 -5.973 1.00 0.00 C ATOM 518 CD GLU A 388 -6.707 -6.437 -7.440 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.346 -5.441 -7.844 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.367 -7.379 -8.186 1.00 0.00 O ATOM 0 H GLU A 388 -7.822 -6.848 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.316 -5.429 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.869 -5.195 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.358 -4.390 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.246 -6.603 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.766 -7.399 -5.530 1.00 0.00 H new ATOM 527 N CYS A 389 -7.864 -4.038 -2.251 1.00 0.00 N ATOM 528 CA CYS A 389 -8.316 -2.836 -1.569 1.00 0.00 C ATOM 529 C CYS A 389 -7.184 -2.303 -0.699 1.00 0.00 C ATOM 530 O CYS A 389 -6.940 -2.797 0.402 1.00 0.00 O ATOM 531 CB CYS A 389 -9.564 -3.129 -0.736 1.00 0.00 C ATOM 532 SG CYS A 389 -10.465 -1.641 -0.192 1.00 0.00 S ATOM 0 H CYS A 389 -8.426 -4.870 -2.069 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.585 -2.077 -2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.238 -3.755 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.274 -3.706 0.142 1.00 0.00 H new ATOM 537 N LYS A 390 -6.469 -1.317 -1.230 1.00 0.00 N ATOM 538 CA LYS A 390 -5.322 -0.736 -0.537 1.00 0.00 C ATOM 539 C LYS A 390 -5.717 0.097 0.674 1.00 0.00 C ATOM 540 O LYS A 390 -6.873 0.485 0.836 1.00 0.00 O ATOM 541 CB LYS A 390 -4.491 0.097 -1.505 1.00 0.00 C ATOM 542 CG LYS A 390 -3.732 -0.746 -2.521 1.00 0.00 C ATOM 543 CD LYS A 390 -2.655 -1.582 -1.845 1.00 0.00 C ATOM 544 CE LYS A 390 -1.891 -2.433 -2.845 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.843 -3.258 -2.183 1.00 0.00 N ATOM 0 H LYS A 390 -6.663 -0.901 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.726 -1.568 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.146 0.789 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.781 0.699 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.427 -1.400 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.277 -0.097 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.961 -0.925 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.113 -2.226 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.586 -3.085 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.428 -1.788 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.344 -3.824 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.165 -2.635 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.287 -3.891 -1.488 1.00 0.00 H new ATOM 559 N SER A 391 -4.728 0.353 1.528 1.00 0.00 N ATOM 560 CA SER A 391 -4.929 1.126 2.750 1.00 0.00 C ATOM 561 C SER A 391 -5.580 2.479 2.459 1.00 0.00 C ATOM 562 O SER A 391 -6.604 2.809 3.056 1.00 0.00 O ATOM 563 CB SER A 391 -3.599 1.327 3.479 1.00 0.00 C ATOM 564 OG SER A 391 -3.783 2.044 4.688 1.00 0.00 O ATOM 0 H SER A 391 -3.769 0.032 1.393 1.00 0.00 H new ATOM 0 HA SER A 391 -5.605 0.560 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.148 0.358 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.905 1.867 2.834 1.00 0.00 H new ATOM 0 HG SER A 391 -2.919 2.158 5.136 1.00 0.00 H new ATOM 570 N PRO A 392 -5.013 3.284 1.531 1.00 0.00 N ATOM 571 CA PRO A 392 -5.571 4.587 1.177 1.00 0.00 C ATOM 572 C PRO A 392 -7.058 4.485 0.889 1.00 0.00 C ATOM 573 O PRO A 392 -7.834 5.391 1.199 1.00 0.00 O ATOM 574 CB PRO A 392 -4.804 4.976 -0.099 1.00 0.00 C ATOM 575 CG PRO A 392 -4.078 3.747 -0.519 1.00 0.00 C ATOM 576 CD PRO A 392 -3.806 3.008 0.744 1.00 0.00 C ATOM 0 HA PRO A 392 -5.469 5.317 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.486 5.314 -0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.110 5.794 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.679 3.149 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.152 3.994 -1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.669 1.941 0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.905 3.368 1.241 1.00 0.00 H new ATOM 584 N CYS A 393 -7.443 3.361 0.297 1.00 0.00 N ATOM 585 CA CYS A 393 -8.832 3.104 -0.038 1.00 0.00 C ATOM 586 C CYS A 393 -9.656 2.910 1.229 1.00 0.00 C ATOM 587 O CYS A 393 -9.265 3.340 2.314 1.00 0.00 O ATOM 588 CB CYS A 393 -8.925 1.847 -0.908 1.00 0.00 C ATOM 589 SG CYS A 393 -7.812 1.845 -2.350 1.00 0.00 S ATOM 0 H CYS A 393 -6.804 2.609 0.039 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.226 3.960 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.702 0.976 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.952 1.737 -1.257 1.00 0.00 H new ATOM 594 N LYS A 394 -10.788 2.239 1.083 1.00 0.00 N ATOM 595 CA LYS A 394 -11.670 1.956 2.209 1.00 0.00 C ATOM 596 C LYS A 394 -12.567 0.773 1.886 1.00 0.00 C ATOM 597 O LYS A 394 -13.411 0.840 0.992 1.00 0.00 O ATOM 598 CB LYS A 394 -12.514 3.184 2.560 1.00 0.00 C ATOM 599 CG LYS A 394 -13.458 2.955 3.733 1.00 0.00 C ATOM 600 CD LYS A 394 -14.234 4.213 4.088 1.00 0.00 C ATOM 601 CE LYS A 394 -13.311 5.322 4.559 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.589 4.956 5.808 1.00 0.00 N ATOM 0 H LYS A 394 -11.121 1.877 0.189 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.055 1.707 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.851 4.016 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.096 3.477 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.156 2.155 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.886 2.624 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.797 4.552 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.960 3.986 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.588 5.548 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.892 6.229 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.146 5.805 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.261 4.555 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.855 4.252 5.591 1.00 0.00 H new ATOM 616 N TRP A 395 -12.366 -0.318 2.614 1.00 0.00 N ATOM 617 CA TRP A 395 -13.142 -1.528 2.402 1.00 0.00 C ATOM 618 C TRP A 395 -14.545 -1.392 2.985 1.00 0.00 C ATOM 619 O TRP A 395 -14.722 -0.872 4.086 1.00 0.00 O ATOM 620 CB TRP A 395 -12.429 -2.730 3.024 1.00 0.00 C ATOM 621 CG TRP A 395 -13.040 -4.045 2.648 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.461 -5.025 3.501 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.286 -4.531 1.324 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.959 -6.087 2.788 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.862 -5.808 1.450 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.078 -4.008 0.043 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.231 -6.570 0.345 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.444 -4.766 -1.052 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.017 -6.035 -0.895 1.00 0.00 C ATOM 0 H TRP A 395 -11.671 -0.387 3.357 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.234 -1.685 1.327 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.384 -2.722 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.442 -2.629 4.109 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.410 -4.972 4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.339 -6.944 3.189 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.639 -3.030 -0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.671 -7.549 0.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.286 -4.374 -2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.295 -6.602 -1.771 1.00 0.00 H new ATOM 640 N HIS A 396 -15.537 -1.871 2.240 1.00 0.00 N ATOM 641 CA HIS A 396 -16.923 -1.809 2.686 1.00 0.00 C ATOM 642 C HIS A 396 -17.531 -3.205 2.745 1.00 0.00 C ATOM 643 O HIS A 396 -17.716 -3.857 1.713 1.00 0.00 O ATOM 644 CB HIS A 396 -17.746 -0.921 1.752 1.00 0.00 C ATOM 645 CG HIS A 396 -17.271 0.497 1.701 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.236 1.319 2.808 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.811 1.241 0.667 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.776 2.506 2.456 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.509 2.485 1.164 1.00 0.00 N ATOM 0 H HIS A 396 -15.406 -2.305 1.326 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.939 -1.378 3.687 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.718 -1.341 0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.787 -0.935 2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.702 0.916 -0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.641 3.351 3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.138 3.266 0.622 1.00 0.00 H new ATOM 658 N ASN A 397 -17.837 -3.652 3.958 1.00 0.00 N ATOM 659 CA ASN A 397 -18.425 -4.970 4.172 1.00 0.00 C ATOM 660 C ASN A 397 -19.936 -4.950 3.952 1.00 0.00 C ATOM 661 O ASN A 397 -20.614 -3.984 4.303 1.00 0.00 O ATOM 662 CB ASN A 397 -18.099 -5.482 5.580 1.00 0.00 C ATOM 663 CG ASN A 397 -18.545 -4.542 6.692 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.080 -3.380 6.331 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.401 -4.859 7.872 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.686 -3.117 4.813 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.989 -5.650 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.575 -6.452 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.023 -5.640 5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.986 -5.760 8.111 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -18.696 -4.221 8.611 1.00 0.00 H new ATOM 672 N ASP A 398 -20.452 -6.024 3.366 1.00 0.00 N ATOM 673 CA ASP A 398 -21.881 -6.146 3.092 1.00 0.00 C ATOM 674 C ASP A 398 -22.375 -4.989 2.231 1.00 0.00 C ATOM 675 O ASP A 398 -23.510 -4.534 2.375 1.00 0.00 O ATOM 676 CB ASP A 398 -22.672 -6.199 4.401 1.00 0.00 C ATOM 677 CG ASP A 398 -22.265 -7.369 5.274 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.398 -8.525 4.818 1.00 0.00 O ATOM 679 OD2 ASP A 398 -21.813 -7.131 6.414 1.00 0.00 O ATOM 0 H ASP A 398 -19.899 -6.828 3.069 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.039 -7.074 2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.523 -5.270 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.736 -6.269 4.177 1.00 0.00 H new ATOM 684 N ALA A 399 -21.518 -4.524 1.329 1.00 0.00 N ATOM 685 CA ALA A 399 -21.867 -3.428 0.433 1.00 0.00 C ATOM 686 C ALA A 399 -22.641 -3.942 -0.772 1.00 0.00 C ATOM 687 O ALA A 399 -22.389 -3.533 -1.906 1.00 0.00 O ATOM 688 CB ALA A 399 -20.613 -2.703 -0.017 1.00 0.00 C ATOM 0 H ALA A 399 -20.575 -4.890 1.199 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.504 -2.729 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.885 -1.886 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.093 -2.302 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.959 -3.399 -0.542 1.00 0.00 H new ATOM 694 N GLU A 400 -23.568 -4.859 -0.507 1.00 0.00 N ATOM 695 CA GLU A 400 -24.392 -5.476 -1.545 1.00 0.00 C ATOM 696 C GLU A 400 -23.586 -6.513 -2.318 1.00 0.00 C ATOM 697 O GLU A 400 -24.142 -7.474 -2.852 1.00 0.00 O ATOM 698 CB GLU A 400 -24.960 -4.422 -2.501 1.00 0.00 C ATOM 699 CG GLU A 400 -25.844 -3.393 -1.815 1.00 0.00 C ATOM 700 CD GLU A 400 -26.386 -2.352 -2.777 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.058 -2.425 -3.979 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.138 -1.462 -2.325 1.00 0.00 O ATOM 0 H GLU A 400 -23.770 -5.196 0.434 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.229 -5.974 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.135 -3.909 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.536 -4.922 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.677 -3.902 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.274 -2.895 -1.031 1.00 0.00 H new ATOM 709 N ASN A 401 -22.272 -6.310 -2.367 1.00 0.00 N ATOM 710 CA ASN A 401 -21.377 -7.218 -3.066 1.00 0.00 C ATOM 711 C ASN A 401 -19.926 -6.801 -2.844 1.00 0.00 C ATOM 712 O ASN A 401 -19.070 -7.000 -3.706 1.00 0.00 O ATOM 713 CB ASN A 401 -21.709 -7.219 -4.557 1.00 0.00 C ATOM 714 CG ASN A 401 -21.470 -5.870 -5.204 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.551 -5.167 -5.514 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.328 -5.453 -5.403 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.804 -5.518 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.510 -8.226 -2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.103 -7.973 -5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.752 -7.505 -4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.524 -6.027 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.186 -4.534 -5.822 1.00 0.00 H new ATOM 723 N LYS A 402 -19.672 -6.217 -1.672 1.00 0.00 N ATOM 724 CA LYS A 402 -18.336 -5.754 -1.301 1.00 0.00 C ATOM 725 C LYS A 402 -17.899 -4.594 -2.192 1.00 0.00 C ATOM 726 O LYS A 402 -17.986 -4.675 -3.417 1.00 0.00 O ATOM 727 CB LYS A 402 -17.325 -6.901 -1.390 1.00 0.00 C ATOM 728 CG LYS A 402 -17.677 -8.097 -0.516 1.00 0.00 C ATOM 729 CD LYS A 402 -17.708 -7.726 0.958 1.00 0.00 C ATOM 730 CE LYS A 402 -18.077 -8.919 1.824 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.412 -9.473 1.466 1.00 0.00 N ATOM 0 H LYS A 402 -20.382 -6.053 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.373 -5.402 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.252 -7.229 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.341 -6.529 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.649 -8.491 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.948 -8.892 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.732 -7.344 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.427 -6.923 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.320 -9.696 1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.077 -8.621 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.948 -9.675 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.933 -8.780 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.289 -10.351 0.922 1.00 0.00 H new ATOM 745 N LYS A 403 -17.441 -3.508 -1.572 1.00 0.00 N ATOM 746 CA LYS A 403 -17.013 -2.330 -2.323 1.00 0.00 C ATOM 747 C LYS A 403 -15.773 -1.680 -1.711 1.00 0.00 C ATOM 748 O LYS A 403 -15.626 -1.617 -0.492 1.00 0.00 O ATOM 749 CB LYS A 403 -18.145 -1.306 -2.378 1.00 0.00 C ATOM 750 CG LYS A 403 -19.391 -1.812 -3.084 1.00 0.00 C ATOM 751 CD LYS A 403 -19.156 -2.042 -4.574 1.00 0.00 C ATOM 752 CE LYS A 403 -18.908 -0.740 -5.326 1.00 0.00 C ATOM 753 NZ LYS A 403 -17.604 -0.115 -4.965 1.00 0.00 N ATOM 0 H LYS A 403 -17.357 -3.419 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.758 -2.662 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.408 -1.013 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.788 -0.410 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.716 -2.744 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.199 -1.092 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.301 -2.705 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.021 -2.548 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.931 -0.933 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.715 -0.040 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -17.181 0.318 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.758 0.616 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -16.962 -0.843 -4.591 1.00 0.00 H new ATOM 767 N CYS A 404 -14.896 -1.181 -2.580 1.00 0.00 N ATOM 768 CA CYS A 404 -13.673 -0.510 -2.151 1.00 0.00 C ATOM 769 C CYS A 404 -13.567 0.854 -2.832 1.00 0.00 C ATOM 770 O CYS A 404 -13.746 0.963 -4.044 1.00 0.00 O ATOM 771 CB CYS A 404 -12.445 -1.359 -2.496 1.00 0.00 C ATOM 772 SG CYS A 404 -10.862 -0.654 -1.928 1.00 0.00 S ATOM 0 H CYS A 404 -15.012 -1.230 -3.592 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.710 -0.374 -1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.567 -2.349 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.403 -1.493 -3.577 1.00 0.00 H new ATOM 777 N THR A 405 -13.288 1.893 -2.048 1.00 0.00 N ATOM 778 CA THR A 405 -13.176 3.246 -2.589 1.00 0.00 C ATOM 779 C THR A 405 -12.112 4.056 -1.856 1.00 0.00 C ATOM 780 O THR A 405 -11.921 3.903 -0.650 1.00 0.00 O ATOM 781 CB THR A 405 -14.518 4.001 -2.507 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.931 4.119 -1.141 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.595 3.284 -3.306 1.00 0.00 C ATOM 0 H THR A 405 -13.136 1.825 -1.042 1.00 0.00 H new ATOM 0 HA THR A 405 -12.888 3.136 -3.634 1.00 0.00 H new ATOM 0 HB THR A 405 -14.375 4.995 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.783 4.601 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.532 3.837 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.292 3.222 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.734 2.279 -2.908 1.00 0.00 H new ATOM 791 N LEU A 406 -11.422 4.916 -2.600 1.00 0.00 N ATOM 792 CA LEU A 406 -10.374 5.755 -2.037 1.00 0.00 C ATOM 793 C LEU A 406 -10.964 6.819 -1.127 1.00 0.00 C ATOM 794 O LEU A 406 -12.027 7.376 -1.404 1.00 0.00 O ATOM 795 CB LEU A 406 -9.562 6.401 -3.160 1.00 0.00 C ATOM 796 CG LEU A 406 -8.253 7.080 -2.747 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.510 8.443 -2.129 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.469 6.192 -1.793 1.00 0.00 C ATOM 0 H LEU A 406 -11.573 5.049 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.713 5.129 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.331 5.634 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.191 7.142 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.655 7.232 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.561 8.899 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.018 9.081 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.136 8.329 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.542 6.691 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.065 6.001 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.237 5.247 -2.283 1.00 0.00 H new ATOM 810 N ASP A 407 -10.260 7.097 -0.042 1.00 0.00 N ATOM 811 CA ASP A 407 -10.701 8.100 0.919 1.00 0.00 C ATOM 812 C ASP A 407 -9.618 9.151 1.133 1.00 0.00 C ATOM 813 O ASP A 407 -8.468 8.821 1.421 1.00 0.00 O ATOM 814 CB ASP A 407 -11.056 7.438 2.253 1.00 0.00 C ATOM 815 CG ASP A 407 -11.584 8.427 3.278 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.729 9.620 2.939 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.856 8.005 4.421 1.00 0.00 O ATOM 0 H ASP A 407 -9.379 6.642 0.197 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.589 8.590 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.805 6.664 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.172 6.943 2.654 1.00 0.00 H new ATOM 822 N LYS A 408 -9.996 10.416 0.996 1.00 0.00 N ATOM 823 CA LYS A 408 -9.059 11.516 1.180 1.00 0.00 C ATOM 824 C LYS A 408 -8.557 11.555 2.620 1.00 0.00 C ATOM 825 O LYS A 408 -7.373 11.774 2.869 1.00 0.00 O ATOM 826 CB LYS A 408 -9.719 12.845 0.810 1.00 0.00 C ATOM 827 CG LYS A 408 -10.980 13.144 1.604 1.00 0.00 C ATOM 828 CD LYS A 408 -11.624 14.447 1.157 1.00 0.00 C ATOM 829 CE LYS A 408 -12.901 14.733 1.934 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.544 16.002 1.496 1.00 0.00 N ATOM 0 H LYS A 408 -10.945 10.705 0.758 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.205 11.356 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.003 13.652 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.963 12.836 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.690 12.326 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.738 13.202 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.921 15.268 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.849 14.396 0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.600 13.907 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.673 14.790 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.410 16.161 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.887 16.794 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.785 15.939 0.486 1.00 0.00 H new ATOM 844 N GLU A 409 -9.471 11.335 3.559 1.00 0.00 N ATOM 845 CA GLU A 409 -9.134 11.337 4.976 1.00 0.00 C ATOM 846 C GLU A 409 -8.182 10.192 5.311 1.00 0.00 C ATOM 847 O GLU A 409 -7.248 10.357 6.096 1.00 0.00 O ATOM 848 CB GLU A 409 -10.407 11.221 5.817 1.00 0.00 C ATOM 849 CG GLU A 409 -10.148 11.225 7.312 1.00 0.00 C ATOM 850 CD GLU A 409 -11.423 11.111 8.125 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.137 10.098 7.970 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.706 12.034 8.916 1.00 0.00 O ATOM 0 H GLU A 409 -10.455 11.152 3.362 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.634 12.278 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.073 12.048 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.927 10.301 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.485 10.397 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.629 12.144 7.585 1.00 0.00 H new ATOM 859 N GLU A 410 -8.429 9.028 4.719 1.00 0.00 N ATOM 860 CA GLU A 410 -7.596 7.856 4.961 1.00 0.00 C ATOM 861 C GLU A 410 -6.188 8.055 4.407 1.00 0.00 C ATOM 862 O GLU A 410 -5.202 7.768 5.083 1.00 0.00 O ATOM 863 CB GLU A 410 -8.231 6.612 4.335 1.00 0.00 C ATOM 864 CG GLU A 410 -7.430 5.338 4.552 1.00 0.00 C ATOM 865 CD GLU A 410 -7.326 4.948 6.014 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.767 5.737 6.806 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.804 3.849 6.369 1.00 0.00 O ATOM 0 H GLU A 410 -9.199 8.871 4.069 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.523 7.716 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.230 6.477 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.351 6.777 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.895 4.524 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.428 5.471 4.144 1.00 0.00 H new ATOM 874 N ALA A 411 -6.103 8.535 3.170 1.00 0.00 N ATOM 875 CA ALA A 411 -4.814 8.761 2.522 1.00 0.00 C ATOM 876 C ALA A 411 -3.969 9.784 3.275 1.00 0.00 C ATOM 877 O ALA A 411 -2.786 9.554 3.522 1.00 0.00 O ATOM 878 CB ALA A 411 -5.022 9.204 1.082 1.00 0.00 C ATOM 0 H ALA A 411 -6.911 8.775 2.596 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.269 7.817 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.054 9.370 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.564 8.431 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.597 10.130 1.066 1.00 0.00 H new ATOM 884 N LYS A 412 -4.568 10.912 3.638 1.00 0.00 N ATOM 885 CA LYS A 412 -3.837 11.945 4.362 1.00 0.00 C ATOM 886 C LYS A 412 -3.321 11.393 5.688 1.00 0.00 C ATOM 887 O LYS A 412 -2.219 11.726 6.125 1.00 0.00 O ATOM 888 CB LYS A 412 -4.716 13.187 4.576 1.00 0.00 C ATOM 889 CG LYS A 412 -5.996 12.935 5.364 1.00 0.00 C ATOM 890 CD LYS A 412 -5.761 12.957 6.869 1.00 0.00 C ATOM 891 CE LYS A 412 -5.290 14.323 7.345 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.052 14.344 8.814 1.00 0.00 N ATOM 0 H LYS A 412 -5.545 11.133 3.446 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.978 12.251 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.129 13.945 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.980 13.600 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.736 13.692 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.413 11.969 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.683 12.690 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -5.018 12.204 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.371 14.593 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.036 15.075 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.732 15.291 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -5.935 14.111 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.322 13.644 9.058 1.00 0.00 H new