USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 347 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 CYS SG : rot -178:sc= -0.707! USER MOD Set 1.2: A 398 HIS : no HE2:sc= -2.48! C(o=-9!,f=-21!) USER MOD Set 1.3: A 416 CYS SG : rot 117:sc= 0.589! USER MOD Set 1.4: A 419 CYS SG : rot 113:sc= -6.35! USER MOD Set 1.5: A 421 CYS SG : rot 109:sc= -0.067! USER MOD Set 2.1: A 381 CYS SG : rot -131:sc= -1.09! USER MOD Set 2.2: A 384 CYS SG : rot -133:sc= -5.11! USER MOD Set 2.3: A 387 ASN : amide:sc=-0.00732 K(o=-15,f=-17) USER MOD Set 2.4: A 401 CYS SG : rot -55:sc= -4.52! USER MOD Set 2.5: A 404 CYS SG : rot 75:sc= -4.69! USER MOD Single : A 382 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0279) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 LYS NZ :NH3+ -153:sc= 2.36 (180deg=1.97) USER MOD Single : A 400 MET CE :methyl -118:sc= -1.45 (180deg=-2.4) USER MOD Single : A 402 THR OG1 : rot 124:sc= -0.194! USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -0.311 K(o=-0.31,f=-2!) USER MOD Single : A 411 SER OG : rot 86:sc= 1.22 USER MOD Single : A 414 GLN : amide:sc= -0.0155 K(o=-0.016,f=-1) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 394 N LEU A 380 9.223 -9.656 -1.450 1.00 0.00 N ATOM 395 CA LEU A 380 8.428 -10.402 -0.476 1.00 0.00 C ATOM 396 C LEU A 380 8.085 -11.826 -0.895 1.00 0.00 C ATOM 397 O LEU A 380 7.951 -12.144 -2.082 1.00 0.00 O ATOM 398 CB LEU A 380 7.162 -9.645 -0.084 1.00 0.00 C ATOM 399 CG LEU A 380 7.371 -8.334 0.670 1.00 0.00 C ATOM 400 CD1 LEU A 380 6.042 -7.672 0.934 1.00 0.00 C ATOM 401 CD2 LEU A 380 8.101 -8.572 1.985 1.00 0.00 C ATOM 0 HA LEU A 380 9.078 -10.493 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 380 6.594 -9.433 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 380 6.547 -10.301 0.532 1.00 0.00 H new ATOM 0 HG LEU A 380 7.984 -7.679 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 380 6.201 -6.738 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 380 5.544 -7.465 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 380 5.418 -8.335 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 380 8.237 -7.622 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 380 7.514 -9.245 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 380 9.075 -9.019 1.785 1.00 0.00 H new ATOM 413 N CYS A 381 7.951 -12.665 0.108 1.00 0.00 N ATOM 414 CA CYS A 381 7.580 -14.052 -0.012 1.00 0.00 C ATOM 415 C CYS A 381 6.071 -14.143 -0.247 1.00 0.00 C ATOM 416 O CYS A 381 5.291 -13.645 0.547 1.00 0.00 O ATOM 417 CB CYS A 381 7.993 -14.756 1.305 1.00 0.00 C ATOM 418 SG CYS A 381 7.421 -16.497 1.577 1.00 0.00 S ATOM 0 H CYS A 381 8.106 -12.382 1.076 1.00 0.00 H new ATOM 0 HA CYS A 381 8.078 -14.536 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 381 9.082 -14.750 1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 381 7.629 -14.151 2.135 1.00 0.00 H new ATOM 0 HG CYS A 381 6.904 -16.603 2.765 1.00 0.00 H new ATOM 423 N LYS A 382 5.680 -14.804 -1.321 1.00 0.00 N ATOM 424 CA LYS A 382 4.277 -14.891 -1.742 1.00 0.00 C ATOM 425 C LYS A 382 3.400 -15.682 -0.744 1.00 0.00 C ATOM 426 O LYS A 382 2.211 -15.409 -0.608 1.00 0.00 O ATOM 427 CB LYS A 382 4.203 -15.521 -3.153 1.00 0.00 C ATOM 428 CG LYS A 382 2.812 -15.565 -3.770 1.00 0.00 C ATOM 429 CD LYS A 382 2.839 -16.186 -5.160 1.00 0.00 C ATOM 430 CE LYS A 382 1.439 -16.295 -5.765 1.00 0.00 C ATOM 431 NZ LYS A 382 0.794 -14.976 -5.983 1.00 0.00 N ATOM 0 H LYS A 382 6.324 -15.302 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 382 3.875 -13.878 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.861 -14.962 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 382 4.592 -16.538 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 382 2.145 -16.139 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 382 2.407 -14.555 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 382 3.471 -15.585 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 382 3.289 -17.177 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 382 1.501 -16.824 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 382 0.811 -16.895 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 -0.114 -15.110 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 0.629 -14.514 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 1.415 -14.378 -6.565 1.00 0.00 H new ATOM 445 N ILE A 383 4.008 -16.615 -0.027 1.00 0.00 N ATOM 446 CA ILE A 383 3.268 -17.506 0.886 1.00 0.00 C ATOM 447 C ILE A 383 2.728 -16.728 2.096 1.00 0.00 C ATOM 448 O ILE A 383 1.554 -16.853 2.478 1.00 0.00 O ATOM 449 CB ILE A 383 4.182 -18.648 1.415 1.00 0.00 C ATOM 450 CG1 ILE A 383 4.972 -19.266 0.275 1.00 0.00 C ATOM 451 CG2 ILE A 383 3.338 -19.734 2.085 1.00 0.00 C ATOM 452 CD1 ILE A 383 5.958 -20.329 0.707 1.00 0.00 C ATOM 0 H ILE A 383 5.014 -16.784 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 383 2.440 -17.928 0.316 1.00 0.00 H new ATOM 0 HB ILE A 383 4.872 -18.221 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 383 4.275 -19.702 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 383 5.512 -18.476 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 383 3.990 -20.527 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 383 2.787 -19.303 2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 383 2.635 -20.147 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 383 6.480 -20.718 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 383 6.681 -19.895 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 383 5.425 -21.140 1.202 1.00 0.00 H new ATOM 464 N CYS A 384 3.577 -15.922 2.674 1.00 0.00 N ATOM 465 CA CYS A 384 3.246 -15.202 3.871 1.00 0.00 C ATOM 466 C CYS A 384 2.883 -13.749 3.580 1.00 0.00 C ATOM 467 O CYS A 384 2.018 -13.178 4.237 1.00 0.00 O ATOM 468 CB CYS A 384 4.426 -15.332 4.849 1.00 0.00 C ATOM 469 SG CYS A 384 6.088 -15.301 4.021 1.00 0.00 S ATOM 0 H CYS A 384 4.520 -15.747 2.326 1.00 0.00 H new ATOM 0 HA CYS A 384 2.354 -15.632 4.327 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.376 -14.520 5.575 1.00 0.00 H new ATOM 0 HB3 CYS A 384 4.324 -16.264 5.405 1.00 0.00 H new ATOM 0 HG CYS A 384 6.825 -16.264 4.490 1.00 0.00 H new ATOM 474 N ALA A 385 3.558 -13.173 2.570 1.00 0.00 N ATOM 475 CA ALA A 385 3.401 -11.772 2.121 1.00 0.00 C ATOM 476 C ALA A 385 3.986 -10.770 3.119 1.00 0.00 C ATOM 477 O ALA A 385 4.028 -9.576 2.860 1.00 0.00 O ATOM 478 CB ALA A 385 1.954 -11.431 1.756 1.00 0.00 C ATOM 0 H ALA A 385 4.251 -13.684 2.024 1.00 0.00 H new ATOM 0 HA ALA A 385 3.985 -11.683 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 385 1.895 -10.391 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.620 -12.081 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 385 1.315 -11.577 2.627 1.00 0.00 H new ATOM 484 N GLU A 386 4.459 -11.277 4.229 1.00 0.00 N ATOM 485 CA GLU A 386 5.014 -10.462 5.286 1.00 0.00 C ATOM 486 C GLU A 386 6.531 -10.530 5.292 1.00 0.00 C ATOM 487 O GLU A 386 7.212 -9.528 5.513 1.00 0.00 O ATOM 488 CB GLU A 386 4.462 -10.934 6.630 1.00 0.00 C ATOM 489 CG GLU A 386 2.948 -10.802 6.756 1.00 0.00 C ATOM 490 CD GLU A 386 2.483 -9.363 6.835 1.00 0.00 C ATOM 491 OE1 GLU A 386 2.666 -8.588 5.869 1.00 0.00 O ATOM 492 OE2 GLU A 386 1.949 -8.965 7.884 1.00 0.00 O ATOM 0 H GLU A 386 4.471 -12.277 4.429 1.00 0.00 H new ATOM 0 HA GLU A 386 4.727 -9.425 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 386 4.740 -11.977 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 386 4.935 -10.361 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 386 2.475 -11.284 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 386 2.615 -11.335 7.647 1.00 0.00 H new ATOM 499 N ASN A 387 7.061 -11.695 5.027 1.00 0.00 N ATOM 500 CA ASN A 387 8.502 -11.882 5.078 1.00 0.00 C ATOM 501 C ASN A 387 9.110 -11.739 3.708 1.00 0.00 C ATOM 502 O ASN A 387 8.417 -11.884 2.691 1.00 0.00 O ATOM 503 CB ASN A 387 8.880 -13.241 5.676 1.00 0.00 C ATOM 504 CG ASN A 387 8.384 -13.439 7.096 1.00 0.00 C ATOM 505 OD1 ASN A 387 8.210 -12.485 7.861 1.00 0.00 O ATOM 506 ND2 ASN A 387 8.161 -14.672 7.456 1.00 0.00 N ATOM 0 H ASN A 387 6.529 -12.528 4.775 1.00 0.00 H new ATOM 0 HA ASN A 387 8.901 -11.104 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 387 8.474 -14.032 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 387 9.965 -13.346 5.661 1.00 0.00 H new ATOM 0 HD21 ASN A 387 7.831 -14.876 8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 387 8.317 -15.433 6.794 1.00 0.00 H new ATOM 513 N ASP A 388 10.388 -11.464 3.679 1.00 0.00 N ATOM 514 CA ASP A 388 11.140 -11.267 2.443 1.00 0.00 C ATOM 515 C ASP A 388 11.649 -12.607 1.970 1.00 0.00 C ATOM 516 O ASP A 388 11.771 -13.532 2.761 1.00 0.00 O ATOM 517 CB ASP A 388 12.372 -10.370 2.690 1.00 0.00 C ATOM 518 CG ASP A 388 12.071 -9.059 3.379 1.00 0.00 C ATOM 519 OD1 ASP A 388 11.887 -9.053 4.623 1.00 0.00 O ATOM 520 OD2 ASP A 388 12.071 -8.008 2.725 1.00 0.00 O ATOM 0 H ASP A 388 10.955 -11.367 4.521 1.00 0.00 H new ATOM 0 HA ASP A 388 10.483 -10.799 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 388 13.093 -10.924 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 388 12.850 -10.160 1.733 1.00 0.00 H new ATOM 525 N LYS A 389 11.942 -12.718 0.710 1.00 0.00 N ATOM 526 CA LYS A 389 12.506 -13.932 0.162 1.00 0.00 C ATOM 527 C LYS A 389 13.987 -13.981 0.460 1.00 0.00 C ATOM 528 O LYS A 389 14.775 -13.261 -0.153 1.00 0.00 O ATOM 529 CB LYS A 389 12.250 -14.016 -1.342 1.00 0.00 C ATOM 530 CG LYS A 389 10.780 -14.170 -1.688 1.00 0.00 C ATOM 531 CD LYS A 389 10.510 -14.122 -3.179 1.00 0.00 C ATOM 532 CE LYS A 389 10.931 -12.804 -3.781 1.00 0.00 C ATOM 533 NZ LYS A 389 10.582 -12.704 -5.214 1.00 0.00 N ATOM 0 H LYS A 389 11.800 -11.975 0.026 1.00 0.00 H new ATOM 0 HA LYS A 389 12.024 -14.791 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.638 -13.117 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.804 -14.860 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 389 10.417 -15.117 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 389 10.213 -13.379 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 389 11.044 -14.934 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 389 9.447 -14.282 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 389 10.454 -11.989 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 389 12.007 -12.680 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 10.891 -11.782 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 11.057 -13.465 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 9.552 -12.795 -5.328 1.00 0.00 H new ATOM 547 N ASP A 390 14.353 -14.791 1.422 1.00 0.00 N ATOM 548 CA ASP A 390 15.732 -14.880 1.846 1.00 0.00 C ATOM 549 C ASP A 390 16.368 -16.174 1.368 1.00 0.00 C ATOM 550 O ASP A 390 17.599 -16.306 1.376 1.00 0.00 O ATOM 551 CB ASP A 390 15.855 -14.785 3.381 1.00 0.00 C ATOM 552 CG ASP A 390 15.384 -16.033 4.110 1.00 0.00 C ATOM 553 OD1 ASP A 390 14.166 -16.263 4.216 1.00 0.00 O ATOM 554 OD2 ASP A 390 16.232 -16.814 4.589 1.00 0.00 O ATOM 0 H ASP A 390 13.713 -15.402 1.930 1.00 0.00 H new ATOM 0 HA ASP A 390 16.259 -14.037 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 390 16.896 -14.593 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 390 15.276 -13.930 3.731 1.00 0.00 H new ATOM 559 N VAL A 391 15.562 -17.123 0.935 1.00 0.00 N ATOM 560 CA VAL A 391 16.092 -18.400 0.524 1.00 0.00 C ATOM 561 C VAL A 391 15.667 -18.765 -0.897 1.00 0.00 C ATOM 562 O VAL A 391 14.503 -18.591 -1.301 1.00 0.00 O ATOM 563 CB VAL A 391 15.726 -19.549 1.517 1.00 0.00 C ATOM 564 CG1 VAL A 391 14.242 -19.881 1.505 1.00 0.00 C ATOM 565 CG2 VAL A 391 16.561 -20.788 1.259 1.00 0.00 C ATOM 0 H VAL A 391 14.549 -17.033 0.860 1.00 0.00 H new ATOM 0 HA VAL A 391 17.176 -18.290 0.536 1.00 0.00 H new ATOM 0 HB VAL A 391 15.960 -19.181 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 391 14.043 -20.686 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 391 13.669 -18.998 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 391 13.948 -20.197 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 391 16.282 -21.569 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 391 16.385 -21.140 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 391 17.617 -20.547 1.382 1.00 0.00 H new ATOM 575 N LYS A 392 16.622 -19.197 -1.641 1.00 0.00 N ATOM 576 CA LYS A 392 16.453 -19.672 -2.962 1.00 0.00 C ATOM 577 C LYS A 392 16.784 -21.141 -2.937 1.00 0.00 C ATOM 578 O LYS A 392 17.880 -21.531 -2.533 1.00 0.00 O ATOM 579 CB LYS A 392 17.374 -18.875 -3.895 1.00 0.00 C ATOM 580 CG LYS A 392 17.457 -19.325 -5.345 1.00 0.00 C ATOM 581 CD LYS A 392 18.069 -18.202 -6.174 1.00 0.00 C ATOM 582 CE LYS A 392 18.464 -18.619 -7.574 1.00 0.00 C ATOM 583 NZ LYS A 392 19.649 -19.481 -7.551 1.00 0.00 N ATOM 0 H LYS A 392 17.591 -19.229 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 392 15.436 -19.542 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 392 17.048 -17.835 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 392 18.380 -18.899 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 392 18.063 -20.227 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 392 16.464 -19.573 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 392 17.356 -17.380 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 392 18.949 -17.820 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 392 17.636 -19.146 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 392 18.665 -17.734 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 20.164 -19.387 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 20.269 -19.198 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 19.356 -20.470 -7.422 1.00 0.00 H new ATOM 597 N ILE A 393 15.832 -21.942 -3.288 1.00 0.00 N ATOM 598 CA ILE A 393 15.984 -23.372 -3.253 1.00 0.00 C ATOM 599 C ILE A 393 16.732 -23.833 -4.488 1.00 0.00 C ATOM 600 O ILE A 393 16.290 -23.602 -5.589 1.00 0.00 O ATOM 601 CB ILE A 393 14.589 -24.095 -3.180 1.00 0.00 C ATOM 602 CG1 ILE A 393 13.877 -23.870 -1.831 1.00 0.00 C ATOM 603 CG2 ILE A 393 14.700 -25.575 -3.462 1.00 0.00 C ATOM 604 CD1 ILE A 393 13.288 -22.496 -1.625 1.00 0.00 C ATOM 0 H ILE A 393 14.917 -21.627 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 393 16.548 -23.632 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 393 13.982 -23.639 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 393 13.079 -24.606 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 393 14.588 -24.065 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 393 13.712 -26.032 -3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 393 15.108 -25.725 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 393 15.360 -26.037 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 393 12.812 -22.447 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 393 14.079 -21.749 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 393 12.546 -22.298 -2.399 1.00 0.00 H new ATOM 616 N GLU A 394 17.850 -24.466 -4.287 1.00 0.00 N ATOM 617 CA GLU A 394 18.668 -24.965 -5.369 1.00 0.00 C ATOM 618 C GLU A 394 18.458 -26.468 -5.528 1.00 0.00 C ATOM 619 O GLU A 394 18.176 -27.161 -4.547 1.00 0.00 O ATOM 620 CB GLU A 394 20.143 -24.644 -5.122 1.00 0.00 C ATOM 621 CG GLU A 394 20.471 -23.165 -5.231 1.00 0.00 C ATOM 622 CD GLU A 394 20.194 -22.621 -6.612 1.00 0.00 C ATOM 623 OE1 GLU A 394 21.002 -22.850 -7.528 1.00 0.00 O ATOM 624 OE2 GLU A 394 19.161 -21.961 -6.821 1.00 0.00 O ATOM 0 H GLU A 394 18.230 -24.656 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 394 18.369 -24.472 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 394 20.421 -24.997 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 394 20.751 -25.196 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 394 19.885 -22.609 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 394 21.521 -23.008 -4.984 1.00 0.00 H new ATOM 631 N PRO A 395 18.554 -27.002 -6.765 1.00 0.00 N ATOM 632 CA PRO A 395 18.871 -26.221 -7.973 1.00 0.00 C ATOM 633 C PRO A 395 17.610 -25.636 -8.602 1.00 0.00 C ATOM 634 O PRO A 395 17.669 -24.936 -9.613 1.00 0.00 O ATOM 635 CB PRO A 395 19.482 -27.273 -8.890 1.00 0.00 C ATOM 636 CG PRO A 395 18.780 -28.542 -8.536 1.00 0.00 C ATOM 637 CD PRO A 395 18.368 -28.428 -7.084 1.00 0.00 C ATOM 0 HA PRO A 395 19.522 -25.370 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 395 19.333 -27.018 -9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 395 20.557 -27.359 -8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 395 17.909 -28.692 -9.174 1.00 0.00 H new ATOM 0 HG3 PRO A 395 19.435 -29.400 -8.685 1.00 0.00 H new ATOM 0 HD2 PRO A 395 17.333 -28.737 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 395 18.982 -29.062 -6.445 1.00 0.00 H new ATOM 645 N CYS A 396 16.495 -25.943 -7.959 1.00 0.00 N ATOM 646 CA CYS A 396 15.153 -25.533 -8.319 1.00 0.00 C ATOM 647 C CYS A 396 15.086 -24.069 -8.842 1.00 0.00 C ATOM 648 O CYS A 396 14.716 -23.826 -9.989 1.00 0.00 O ATOM 649 CB CYS A 396 14.307 -25.695 -7.063 1.00 0.00 C ATOM 650 SG CYS A 396 12.559 -25.268 -7.216 1.00 0.00 S ATOM 0 H CYS A 396 16.507 -26.522 -7.119 1.00 0.00 H new ATOM 0 HA CYS A 396 14.787 -26.148 -9.141 1.00 0.00 H new ATOM 0 HB2 CYS A 396 14.379 -26.732 -6.734 1.00 0.00 H new ATOM 0 HB3 CYS A 396 14.742 -25.080 -6.276 1.00 0.00 H new ATOM 0 HG CYS A 396 11.976 -25.404 -6.062 1.00 0.00 H new ATOM 655 N GLY A 397 15.484 -23.134 -8.017 1.00 0.00 N ATOM 656 CA GLY A 397 15.457 -21.749 -8.388 1.00 0.00 C ATOM 657 C GLY A 397 14.231 -21.043 -7.886 1.00 0.00 C ATOM 658 O GLY A 397 13.854 -20.007 -8.409 1.00 0.00 O ATOM 0 H GLY A 397 15.833 -23.313 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 397 16.344 -21.253 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 397 15.501 -21.666 -9.474 1.00 0.00 H new ATOM 662 N HIS A 398 13.595 -21.597 -6.878 1.00 0.00 N ATOM 663 CA HIS A 398 12.397 -20.977 -6.325 1.00 0.00 C ATOM 664 C HIS A 398 12.732 -20.098 -5.154 1.00 0.00 C ATOM 665 O HIS A 398 13.591 -20.440 -4.336 1.00 0.00 O ATOM 666 CB HIS A 398 11.294 -22.002 -5.996 1.00 0.00 C ATOM 667 CG HIS A 398 10.693 -22.617 -7.232 1.00 0.00 C ATOM 668 ND1 HIS A 398 9.722 -23.602 -7.237 1.00 0.00 N ATOM 669 CD2 HIS A 398 10.952 -22.356 -8.535 1.00 0.00 C ATOM 670 CE1 HIS A 398 9.443 -23.893 -8.527 1.00 0.00 C ATOM 671 NE2 HIS A 398 10.162 -23.166 -9.341 1.00 0.00 N ATOM 0 H HIS A 398 13.878 -22.466 -6.424 1.00 0.00 H new ATOM 0 HA HIS A 398 11.980 -20.337 -7.103 1.00 0.00 H new ATOM 0 HB2 HIS A 398 11.710 -22.789 -5.367 1.00 0.00 H new ATOM 0 HB3 HIS A 398 10.509 -21.514 -5.418 1.00 0.00 H new ATOM 0 HD1 HIS A 398 9.294 -24.031 -6.416 1.00 0.00 H new ATOM 0 HD2 HIS A 398 11.665 -21.628 -8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 398 8.720 -24.630 -8.844 1.00 0.00 H new ATOM 679 N LEU A 399 12.067 -18.970 -5.092 1.00 0.00 N ATOM 680 CA LEU A 399 12.358 -17.930 -4.113 1.00 0.00 C ATOM 681 C LEU A 399 11.261 -17.872 -3.061 1.00 0.00 C ATOM 682 O LEU A 399 10.069 -17.889 -3.403 1.00 0.00 O ATOM 683 CB LEU A 399 12.453 -16.535 -4.794 1.00 0.00 C ATOM 684 CG LEU A 399 13.357 -16.353 -6.038 1.00 0.00 C ATOM 685 CD1 LEU A 399 14.737 -16.919 -5.836 1.00 0.00 C ATOM 686 CD2 LEU A 399 12.707 -16.887 -7.302 1.00 0.00 C ATOM 0 H LEU A 399 11.299 -18.738 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 399 13.313 -18.176 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 399 11.443 -16.241 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 399 12.790 -15.825 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 399 13.478 -15.278 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 399 15.329 -16.765 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 399 15.217 -16.416 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 399 14.665 -17.986 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 399 13.378 -16.737 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 399 12.503 -17.951 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.772 -16.356 -7.483 1.00 0.00 H new ATOM 698 N MET A 400 11.655 -17.795 -1.797 1.00 0.00 N ATOM 699 CA MET A 400 10.721 -17.709 -0.672 1.00 0.00 C ATOM 700 C MET A 400 11.493 -17.379 0.591 1.00 0.00 C ATOM 701 O MET A 400 12.692 -17.117 0.525 1.00 0.00 O ATOM 702 CB MET A 400 9.970 -19.032 -0.511 1.00 0.00 C ATOM 703 CG MET A 400 10.863 -20.218 -0.227 1.00 0.00 C ATOM 704 SD MET A 400 10.009 -21.781 -0.437 1.00 0.00 S ATOM 705 CE MET A 400 9.643 -21.718 -2.197 1.00 0.00 C ATOM 0 H MET A 400 12.636 -17.790 -1.517 1.00 0.00 H new ATOM 0 HA MET A 400 9.990 -16.923 -0.861 1.00 0.00 H new ATOM 0 HB2 MET A 400 9.249 -18.932 0.300 1.00 0.00 H new ATOM 0 HB3 MET A 400 9.402 -19.228 -1.420 1.00 0.00 H new ATOM 0 HG2 MET A 400 11.727 -20.187 -0.891 1.00 0.00 H new ATOM 0 HG3 MET A 400 11.242 -20.148 0.792 1.00 0.00 H new ATOM 0 HE1 MET A 400 8.563 -21.728 -2.345 1.00 0.00 H new ATOM 0 HE2 MET A 400 10.059 -20.805 -2.623 1.00 0.00 H new ATOM 0 HE3 MET A 400 10.085 -22.583 -2.692 1.00 0.00 H new ATOM 715 N CYS A 401 10.828 -17.341 1.715 1.00 0.00 N ATOM 716 CA CYS A 401 11.518 -17.136 2.956 1.00 0.00 C ATOM 717 C CYS A 401 11.711 -18.457 3.657 1.00 0.00 C ATOM 718 O CYS A 401 10.846 -19.359 3.559 1.00 0.00 O ATOM 719 CB CYS A 401 10.798 -16.113 3.857 1.00 0.00 C ATOM 720 SG CYS A 401 9.009 -16.417 4.145 1.00 0.00 S ATOM 0 H CYS A 401 9.817 -17.449 1.795 1.00 0.00 H new ATOM 0 HA CYS A 401 12.497 -16.711 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 401 11.303 -16.090 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 401 10.912 -15.124 3.414 1.00 0.00 H new ATOM 0 HG CYS A 401 8.394 -16.503 3.003 1.00 0.00 H new ATOM 725 N THR A 402 12.827 -18.590 4.332 1.00 0.00 N ATOM 726 CA THR A 402 13.153 -19.790 5.059 1.00 0.00 C ATOM 727 C THR A 402 12.110 -20.039 6.161 1.00 0.00 C ATOM 728 O THR A 402 11.846 -21.168 6.511 1.00 0.00 O ATOM 729 CB THR A 402 14.590 -19.724 5.643 1.00 0.00 C ATOM 730 OG1 THR A 402 15.476 -19.292 4.613 1.00 0.00 O ATOM 731 CG2 THR A 402 15.054 -21.102 6.092 1.00 0.00 C ATOM 0 H THR A 402 13.539 -17.862 4.392 1.00 0.00 H new ATOM 0 HA THR A 402 13.128 -20.631 4.366 1.00 0.00 H new ATOM 0 HB THR A 402 14.589 -19.042 6.493 1.00 0.00 H new ATOM 0 HG1 THR A 402 15.956 -18.490 4.909 1.00 0.00 H new ATOM 0 HG21 THR A 402 16.063 -21.032 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 402 14.380 -21.481 6.860 1.00 0.00 H new ATOM 0 HG23 THR A 402 15.052 -21.782 5.240 1.00 0.00 H new ATOM 739 N SER A 403 11.482 -18.965 6.657 1.00 0.00 N ATOM 740 CA SER A 403 10.403 -19.080 7.633 1.00 0.00 C ATOM 741 C SER A 403 9.285 -20.005 7.091 1.00 0.00 C ATOM 742 O SER A 403 8.830 -20.918 7.789 1.00 0.00 O ATOM 743 CB SER A 403 9.842 -17.695 7.953 1.00 0.00 C ATOM 744 OG SER A 403 10.873 -16.813 8.385 1.00 0.00 O ATOM 0 H SER A 403 11.707 -18.006 6.394 1.00 0.00 H new ATOM 0 HA SER A 403 10.799 -19.519 8.549 1.00 0.00 H new ATOM 0 HB2 SER A 403 9.354 -17.284 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 403 9.081 -17.778 8.729 1.00 0.00 H new ATOM 0 HG SER A 403 10.489 -15.933 8.582 1.00 0.00 H new ATOM 750 N CYS A 404 8.900 -19.801 5.831 1.00 0.00 N ATOM 751 CA CYS A 404 7.892 -20.634 5.212 1.00 0.00 C ATOM 752 C CYS A 404 8.471 -22.018 4.925 1.00 0.00 C ATOM 753 O CYS A 404 7.850 -23.031 5.227 1.00 0.00 O ATOM 754 CB CYS A 404 7.404 -20.010 3.900 1.00 0.00 C ATOM 755 SG CYS A 404 6.742 -18.297 4.035 1.00 0.00 S ATOM 0 H CYS A 404 9.274 -19.068 5.229 1.00 0.00 H new ATOM 0 HA CYS A 404 7.049 -20.720 5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 404 8.231 -20.006 3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 404 6.627 -20.649 3.481 1.00 0.00 H new ATOM 0 HG CYS A 404 7.726 -17.463 4.193 1.00 0.00 H new ATOM 760 N LEU A 405 9.684 -22.034 4.379 1.00 0.00 N ATOM 761 CA LEU A 405 10.359 -23.268 3.978 1.00 0.00 C ATOM 762 C LEU A 405 10.521 -24.234 5.159 1.00 0.00 C ATOM 763 O LEU A 405 10.123 -25.398 5.077 1.00 0.00 O ATOM 764 CB LEU A 405 11.722 -22.946 3.359 1.00 0.00 C ATOM 765 CG LEU A 405 12.503 -24.131 2.786 1.00 0.00 C ATOM 766 CD1 LEU A 405 11.745 -24.775 1.635 1.00 0.00 C ATOM 767 CD2 LEU A 405 13.887 -23.690 2.341 1.00 0.00 C ATOM 0 H LEU A 405 10.229 -21.190 4.201 1.00 0.00 H new ATOM 0 HA LEU A 405 9.736 -23.763 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 405 11.572 -22.217 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.338 -22.465 4.119 1.00 0.00 H new ATOM 0 HG LEU A 405 12.617 -24.878 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 405 12.320 -25.614 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 405 10.778 -25.132 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.592 -24.041 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 405 14.429 -24.545 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 405 13.795 -22.922 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 405 14.432 -23.286 3.194 1.00 0.00 H new ATOM 779 N THR A 406 11.068 -23.738 6.259 1.00 0.00 N ATOM 780 CA THR A 406 11.268 -24.539 7.438 1.00 0.00 C ATOM 781 C THR A 406 9.927 -25.007 8.002 1.00 0.00 C ATOM 782 O THR A 406 9.790 -26.159 8.351 1.00 0.00 O ATOM 783 CB THR A 406 12.058 -23.760 8.513 1.00 0.00 C ATOM 784 OG1 THR A 406 13.249 -23.218 7.917 1.00 0.00 O ATOM 785 CG2 THR A 406 12.464 -24.671 9.667 1.00 0.00 C ATOM 0 H THR A 406 11.382 -22.772 6.351 1.00 0.00 H new ATOM 0 HA THR A 406 11.853 -25.413 7.153 1.00 0.00 H new ATOM 0 HB THR A 406 11.419 -22.966 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 406 13.755 -22.720 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.018 -24.095 10.408 1.00 0.00 H new ATOM 0 HG22 THR A 406 11.571 -25.093 10.129 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.093 -25.478 9.290 1.00 0.00 H new ATOM 793 N SER A 407 8.924 -24.119 8.025 1.00 0.00 N ATOM 794 CA SER A 407 7.604 -24.481 8.527 1.00 0.00 C ATOM 795 C SER A 407 7.050 -25.652 7.704 1.00 0.00 C ATOM 796 O SER A 407 6.615 -26.669 8.256 1.00 0.00 O ATOM 797 CB SER A 407 6.651 -23.268 8.463 1.00 0.00 C ATOM 798 OG SER A 407 5.405 -23.543 9.099 1.00 0.00 O ATOM 0 H SER A 407 9.006 -23.154 7.704 1.00 0.00 H new ATOM 0 HA SER A 407 7.686 -24.787 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 407 7.122 -22.409 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.476 -22.997 7.422 1.00 0.00 H new ATOM 0 HG SER A 407 4.827 -22.754 9.041 1.00 0.00 H new ATOM 804 N TRP A 408 7.157 -25.523 6.399 1.00 0.00 N ATOM 805 CA TRP A 408 6.713 -26.524 5.459 1.00 0.00 C ATOM 806 C TRP A 408 7.465 -27.859 5.653 1.00 0.00 C ATOM 807 O TRP A 408 6.834 -28.913 5.762 1.00 0.00 O ATOM 808 CB TRP A 408 6.864 -25.959 4.035 1.00 0.00 C ATOM 809 CG TRP A 408 6.686 -26.935 2.922 1.00 0.00 C ATOM 810 CD1 TRP A 408 7.656 -27.355 2.081 1.00 0.00 C ATOM 811 CD2 TRP A 408 5.482 -27.605 2.515 1.00 0.00 C ATOM 812 NE1 TRP A 408 7.148 -28.238 1.180 1.00 0.00 N ATOM 813 CE2 TRP A 408 5.819 -28.420 1.422 1.00 0.00 C ATOM 814 CE3 TRP A 408 4.163 -27.600 2.966 1.00 0.00 C ATOM 815 CZ2 TRP A 408 4.889 -29.225 0.770 1.00 0.00 C ATOM 816 CZ3 TRP A 408 3.238 -28.400 2.319 1.00 0.00 C ATOM 817 CH2 TRP A 408 3.605 -29.201 1.232 1.00 0.00 C ATOM 0 H TRP A 408 7.564 -24.700 5.954 1.00 0.00 H new ATOM 0 HA TRP A 408 5.662 -26.755 5.633 1.00 0.00 H new ATOM 0 HB2 TRP A 408 6.140 -25.155 3.906 1.00 0.00 H new ATOM 0 HB3 TRP A 408 7.855 -25.513 3.946 1.00 0.00 H new ATOM 0 HD1 TRP A 408 8.687 -27.035 2.119 1.00 0.00 H new ATOM 0 HE1 TRP A 408 7.679 -28.694 0.438 1.00 0.00 H new ATOM 0 HE3 TRP A 408 3.869 -26.984 3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 408 5.172 -29.844 -0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 408 2.213 -28.406 2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 408 2.857 -29.812 0.749 1.00 0.00 H new ATOM 828 N GLN A 409 8.788 -27.802 5.752 1.00 0.00 N ATOM 829 CA GLN A 409 9.602 -29.010 5.919 1.00 0.00 C ATOM 830 C GLN A 409 9.445 -29.643 7.304 1.00 0.00 C ATOM 831 O GLN A 409 9.540 -30.862 7.448 1.00 0.00 O ATOM 832 CB GLN A 409 11.078 -28.739 5.647 1.00 0.00 C ATOM 833 CG GLN A 409 11.395 -28.329 4.222 1.00 0.00 C ATOM 834 CD GLN A 409 12.877 -28.129 4.013 1.00 0.00 C ATOM 835 OE1 GLN A 409 13.403 -27.036 4.202 1.00 0.00 O ATOM 836 NE2 GLN A 409 13.566 -29.177 3.626 1.00 0.00 N ATOM 0 H GLN A 409 9.324 -26.935 5.720 1.00 0.00 H new ATOM 0 HA GLN A 409 9.228 -29.719 5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 409 11.419 -27.953 6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 409 11.648 -29.636 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 409 11.031 -29.092 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 409 10.866 -27.406 3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 409 13.096 -30.070 3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 409 14.571 -29.098 3.473 1.00 0.00 H new ATOM 845 N GLU A 410 9.185 -28.833 8.320 1.00 0.00 N ATOM 846 CA GLU A 410 9.058 -29.335 9.684 1.00 0.00 C ATOM 847 C GLU A 410 7.738 -30.006 9.860 1.00 0.00 C ATOM 848 O GLU A 410 7.554 -30.854 10.712 1.00 0.00 O ATOM 849 CB GLU A 410 9.299 -28.245 10.729 1.00 0.00 C ATOM 850 CG GLU A 410 10.747 -27.788 10.789 1.00 0.00 C ATOM 851 CD GLU A 410 11.685 -28.927 11.089 1.00 0.00 C ATOM 852 OE1 GLU A 410 11.863 -29.260 12.270 1.00 0.00 O ATOM 853 OE2 GLU A 410 12.243 -29.534 10.143 1.00 0.00 O ATOM 0 H GLU A 410 9.058 -27.825 8.228 1.00 0.00 H new ATOM 0 HA GLU A 410 9.840 -30.076 9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 410 8.663 -27.389 10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 410 9.000 -28.617 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 410 11.023 -27.332 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 410 10.853 -27.019 11.554 1.00 0.00 H new ATOM 860 N SER A 411 6.843 -29.641 9.002 1.00 0.00 N ATOM 861 CA SER A 411 5.542 -30.212 8.938 1.00 0.00 C ATOM 862 C SER A 411 5.550 -31.363 7.920 1.00 0.00 C ATOM 863 O SER A 411 4.496 -31.923 7.568 1.00 0.00 O ATOM 864 CB SER A 411 4.586 -29.118 8.518 1.00 0.00 C ATOM 865 OG SER A 411 4.622 -28.043 9.453 1.00 0.00 O ATOM 0 H SER A 411 7.004 -28.914 8.305 1.00 0.00 H new ATOM 0 HA SER A 411 5.232 -30.617 9.902 1.00 0.00 H new ATOM 0 HB2 SER A 411 4.852 -28.755 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 411 3.574 -29.517 8.451 1.00 0.00 H new ATOM 0 HG SER A 411 5.346 -27.427 9.216 1.00 0.00 H new ATOM 871 N GLU A 412 6.774 -31.710 7.487 1.00 0.00 N ATOM 872 CA GLU A 412 7.062 -32.735 6.508 1.00 0.00 C ATOM 873 C GLU A 412 6.581 -32.326 5.127 1.00 0.00 C ATOM 874 O GLU A 412 5.401 -32.460 4.778 1.00 0.00 O ATOM 875 CB GLU A 412 6.582 -34.116 6.959 1.00 0.00 C ATOM 876 CG GLU A 412 7.294 -34.579 8.226 1.00 0.00 C ATOM 877 CD GLU A 412 6.781 -35.879 8.757 1.00 0.00 C ATOM 878 OE1 GLU A 412 5.802 -35.871 9.521 1.00 0.00 O ATOM 879 OE2 GLU A 412 7.358 -36.944 8.433 1.00 0.00 O ATOM 0 H GLU A 412 7.618 -31.254 7.835 1.00 0.00 H new ATOM 0 HA GLU A 412 8.145 -32.833 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 412 5.507 -34.087 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 412 6.754 -34.839 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 412 8.360 -34.675 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 412 7.186 -33.814 8.994 1.00 0.00 H new ATOM 886 N GLY A 413 7.494 -31.776 4.376 1.00 0.00 N ATOM 887 CA GLY A 413 7.204 -31.253 3.082 1.00 0.00 C ATOM 888 C GLY A 413 8.355 -31.482 2.158 1.00 0.00 C ATOM 889 O GLY A 413 9.410 -30.858 2.289 1.00 0.00 O ATOM 0 H GLY A 413 8.471 -31.680 4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 413 6.309 -31.729 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.993 -30.186 3.153 1.00 0.00 H new ATOM 893 N GLN A 414 8.166 -32.387 1.251 1.00 0.00 N ATOM 894 CA GLN A 414 9.177 -32.776 0.319 1.00 0.00 C ATOM 895 C GLN A 414 9.100 -31.895 -0.927 1.00 0.00 C ATOM 896 O GLN A 414 8.184 -32.027 -1.743 1.00 0.00 O ATOM 897 CB GLN A 414 8.965 -34.238 -0.040 1.00 0.00 C ATOM 898 CG GLN A 414 10.012 -34.842 -0.940 1.00 0.00 C ATOM 899 CD GLN A 414 9.658 -36.260 -1.325 1.00 0.00 C ATOM 900 OE1 GLN A 414 8.477 -36.613 -1.423 1.00 0.00 O ATOM 901 NE2 GLN A 414 10.648 -37.085 -1.529 1.00 0.00 N ATOM 0 H GLN A 414 7.285 -32.887 1.135 1.00 0.00 H new ATOM 0 HA GLN A 414 10.166 -32.652 0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 414 8.924 -34.818 0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 414 7.993 -34.338 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 414 10.115 -34.234 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 414 10.978 -34.831 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 414 11.610 -36.759 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 414 10.460 -38.056 -1.778 1.00 0.00 H new ATOM 910 N GLY A 415 10.022 -30.978 -1.031 1.00 0.00 N ATOM 911 CA GLY A 415 10.071 -30.098 -2.164 1.00 0.00 C ATOM 912 C GLY A 415 9.557 -28.732 -1.795 1.00 0.00 C ATOM 913 O GLY A 415 9.054 -28.567 -0.697 1.00 0.00 O ATOM 0 H GLY A 415 10.754 -30.821 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 415 11.096 -30.021 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 415 9.474 -30.510 -2.978 1.00 0.00 H new ATOM 917 N CYS A 416 9.718 -27.748 -2.686 1.00 0.00 N ATOM 918 CA CYS A 416 9.231 -26.378 -2.441 1.00 0.00 C ATOM 919 C CYS A 416 7.717 -26.391 -2.050 1.00 0.00 C ATOM 920 O CYS A 416 6.945 -27.126 -2.632 1.00 0.00 O ATOM 921 CB CYS A 416 9.360 -25.537 -3.711 1.00 0.00 C ATOM 922 SG CYS A 416 10.895 -25.727 -4.701 1.00 0.00 S ATOM 0 H CYS A 416 10.182 -27.871 -3.586 1.00 0.00 H new ATOM 0 HA CYS A 416 9.830 -25.959 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 416 8.513 -25.770 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 416 9.268 -24.488 -3.430 1.00 0.00 H new ATOM 0 HG CYS A 416 10.597 -26.190 -5.879 1.00 0.00 H new ATOM 927 N PRO A 417 7.296 -25.551 -1.099 1.00 0.00 N ATOM 928 CA PRO A 417 5.877 -25.471 -0.618 1.00 0.00 C ATOM 929 C PRO A 417 4.817 -25.101 -1.694 1.00 0.00 C ATOM 930 O PRO A 417 3.626 -25.042 -1.400 1.00 0.00 O ATOM 931 CB PRO A 417 5.920 -24.377 0.458 1.00 0.00 C ATOM 932 CG PRO A 417 7.209 -23.666 0.244 1.00 0.00 C ATOM 933 CD PRO A 417 8.165 -24.656 -0.341 1.00 0.00 C ATOM 0 HA PRO A 417 5.557 -26.455 -0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 417 5.074 -23.696 0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 417 5.869 -24.807 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 417 7.074 -22.818 -0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.592 -23.271 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 417 8.903 -24.173 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.716 -25.190 0.433 1.00 0.00 H new ATOM 941 N PHE A 418 5.247 -24.836 -2.901 1.00 0.00 N ATOM 942 CA PHE A 418 4.331 -24.505 -3.981 1.00 0.00 C ATOM 943 C PHE A 418 4.214 -25.677 -4.956 1.00 0.00 C ATOM 944 O PHE A 418 3.143 -26.178 -5.242 1.00 0.00 O ATOM 945 CB PHE A 418 4.849 -23.310 -4.797 1.00 0.00 C ATOM 946 CG PHE A 418 4.954 -21.968 -4.118 1.00 0.00 C ATOM 947 CD1 PHE A 418 6.048 -21.643 -3.331 1.00 0.00 C ATOM 948 CD2 PHE A 418 3.990 -20.998 -4.348 1.00 0.00 C ATOM 949 CE1 PHE A 418 6.170 -20.383 -2.793 1.00 0.00 C ATOM 950 CE2 PHE A 418 4.104 -19.742 -3.797 1.00 0.00 C ATOM 951 CZ PHE A 418 5.196 -19.433 -3.025 1.00 0.00 C ATOM 0 H PHE A 418 6.231 -24.841 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 418 3.371 -24.271 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 418 5.838 -23.569 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 418 4.198 -23.193 -5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 418 6.810 -22.384 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 418 3.137 -21.232 -4.968 1.00 0.00 H new ATOM 0 HE1 PHE A 418 7.030 -20.136 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 418 3.337 -19.002 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 418 5.293 -18.445 -2.599 1.00 0.00 H new ATOM 961 N CYS A 419 5.350 -26.069 -5.449 1.00 0.00 N ATOM 962 CA CYS A 419 5.517 -27.002 -6.539 1.00 0.00 C ATOM 963 C CYS A 419 6.038 -28.389 -6.115 1.00 0.00 C ATOM 964 O CYS A 419 5.929 -29.352 -6.868 1.00 0.00 O ATOM 965 CB CYS A 419 6.541 -26.310 -7.374 1.00 0.00 C ATOM 966 SG CYS A 419 7.547 -25.189 -6.298 1.00 0.00 S ATOM 0 H CYS A 419 6.241 -25.731 -5.085 1.00 0.00 H new ATOM 0 HA CYS A 419 4.568 -27.221 -7.029 1.00 0.00 H new ATOM 0 HB2 CYS A 419 7.186 -27.042 -7.861 1.00 0.00 H new ATOM 0 HB3 CYS A 419 6.056 -25.737 -8.164 1.00 0.00 H new ATOM 0 HG CYS A 419 8.765 -25.637 -6.224 1.00 0.00 H new ATOM 971 N ARG A 420 6.614 -28.465 -4.923 1.00 0.00 N ATOM 972 CA ARG A 420 7.244 -29.682 -4.364 1.00 0.00 C ATOM 973 C ARG A 420 8.431 -30.192 -5.186 1.00 0.00 C ATOM 974 O ARG A 420 8.822 -31.370 -5.096 1.00 0.00 O ATOM 975 CB ARG A 420 6.246 -30.803 -4.075 1.00 0.00 C ATOM 976 CG ARG A 420 5.248 -30.471 -2.984 1.00 0.00 C ATOM 977 CD ARG A 420 4.502 -31.714 -2.529 1.00 0.00 C ATOM 978 NE ARG A 420 3.807 -32.381 -3.630 1.00 0.00 N ATOM 979 CZ ARG A 420 3.232 -33.586 -3.561 1.00 0.00 C ATOM 980 NH1 ARG A 420 3.296 -34.295 -2.438 1.00 0.00 N ATOM 981 NH2 ARG A 420 2.604 -34.084 -4.623 1.00 0.00 N ATOM 0 H ARG A 420 6.664 -27.666 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 420 7.646 -29.359 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 420 5.703 -31.038 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 420 6.795 -31.701 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 420 5.767 -30.024 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 420 4.537 -29.730 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 420 5.206 -32.410 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 420 3.780 -31.440 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 420 3.757 -31.887 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 420 3.785 -33.920 -1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 420 2.856 -35.214 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 420 2.562 -33.547 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 420 2.165 -35.003 -4.571 1.00 0.00 H new ATOM 995 N CYS A 421 9.048 -29.303 -5.927 1.00 0.00 N ATOM 996 CA CYS A 421 10.197 -29.647 -6.715 1.00 0.00 C ATOM 997 C CYS A 421 11.487 -29.708 -5.858 1.00 0.00 C ATOM 998 O CYS A 421 11.517 -29.218 -4.723 1.00 0.00 O ATOM 999 CB CYS A 421 10.310 -28.670 -7.868 1.00 0.00 C ATOM 1000 SG CYS A 421 10.039 -26.948 -7.354 1.00 0.00 S ATOM 0 H CYS A 421 8.766 -28.325 -5.998 1.00 0.00 H new ATOM 0 HA CYS A 421 10.071 -30.651 -7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 421 11.298 -28.759 -8.320 1.00 0.00 H new ATOM 0 HB3 CYS A 421 9.583 -28.935 -8.636 1.00 0.00 H new ATOM 0 HG CYS A 421 11.167 -26.303 -7.387 1.00 0.00 H new ATOM 1005 N GLU A 422 12.511 -30.271 -6.453 1.00 0.00 N ATOM 1006 CA GLU A 422 13.809 -30.612 -5.850 1.00 0.00 C ATOM 1007 C GLU A 422 14.470 -29.552 -4.969 1.00 0.00 C ATOM 1008 O GLU A 422 14.896 -28.491 -5.444 1.00 0.00 O ATOM 1009 CB GLU A 422 14.747 -31.010 -6.968 1.00 0.00 C ATOM 1010 CG GLU A 422 14.310 -32.289 -7.647 1.00 0.00 C ATOM 1011 CD GLU A 422 14.984 -32.522 -8.956 1.00 0.00 C ATOM 1012 OE1 GLU A 422 14.735 -31.753 -9.903 1.00 0.00 O ATOM 1013 OE2 GLU A 422 15.710 -33.515 -9.090 1.00 0.00 O ATOM 0 H GLU A 422 12.472 -30.527 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 422 13.601 -31.421 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 422 14.795 -30.207 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 422 15.753 -31.137 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.515 -33.131 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 422 13.231 -32.260 -7.802 1.00 0.00 H new ATOM 1020 N ILE A 423 14.564 -29.868 -3.685 1.00 0.00 N ATOM 1021 CA ILE A 423 15.326 -29.080 -2.740 1.00 0.00 C ATOM 1022 C ILE A 423 16.622 -29.829 -2.468 1.00 0.00 C ATOM 1023 O ILE A 423 16.625 -30.825 -1.737 1.00 0.00 O ATOM 1024 CB ILE A 423 14.611 -28.883 -1.361 1.00 0.00 C ATOM 1025 CG1 ILE A 423 13.254 -28.195 -1.516 1.00 0.00 C ATOM 1026 CG2 ILE A 423 15.504 -28.075 -0.404 1.00 0.00 C ATOM 1027 CD1 ILE A 423 12.511 -28.017 -0.208 1.00 0.00 C ATOM 0 H ILE A 423 14.110 -30.683 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 423 15.468 -28.093 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 423 14.436 -29.874 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 423 13.402 -27.218 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 423 12.636 -28.778 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 423 14.992 -27.947 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 423 16.442 -28.608 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 423 15.712 -27.097 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 423 11.558 -27.523 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 423 12.331 -28.992 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 423 13.109 -27.408 0.470 1.00 0.00 H new ATOM 1039 N LYS A 424 17.690 -29.424 -3.091 1.00 0.00 N ATOM 1040 CA LYS A 424 18.966 -30.049 -2.833 1.00 0.00 C ATOM 1041 C LYS A 424 19.791 -29.181 -1.914 1.00 0.00 C ATOM 1042 O LYS A 424 20.504 -29.684 -1.030 1.00 0.00 O ATOM 1043 CB LYS A 424 19.743 -30.341 -4.119 1.00 0.00 C ATOM 1044 CG LYS A 424 19.103 -31.393 -5.024 1.00 0.00 C ATOM 1045 CD LYS A 424 19.933 -31.636 -6.289 1.00 0.00 C ATOM 1046 CE LYS A 424 21.338 -32.145 -5.975 1.00 0.00 C ATOM 1047 NZ LYS A 424 22.152 -32.316 -7.192 1.00 0.00 N ATOM 0 H LYS A 424 17.710 -28.670 -3.777 1.00 0.00 H new ATOM 0 HA LYS A 424 18.766 -31.007 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 424 19.850 -29.414 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 424 20.747 -30.671 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 424 18.995 -32.328 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 424 18.100 -31.070 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 424 19.421 -32.360 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 424 20.004 -30.709 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 424 21.835 -31.445 -5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 424 21.269 -33.097 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 23.097 -32.663 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 21.693 -33.003 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 22.241 -31.403 -7.681 1.00 0.00 H new ATOM 1061 N GLY A 425 19.690 -27.893 -2.106 1.00 0.00 N ATOM 1062 CA GLY A 425 20.436 -26.967 -1.312 1.00 0.00 C ATOM 1063 C GLY A 425 19.708 -25.664 -1.173 1.00 0.00 C ATOM 1064 O GLY A 425 18.694 -25.439 -1.842 1.00 0.00 O ATOM 0 H GLY A 425 19.092 -27.463 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 425 20.617 -27.393 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 425 21.411 -26.795 -1.768 1.00 0.00 H new ATOM 1068 N THR A 426 20.199 -24.816 -0.322 1.00 0.00 N ATOM 1069 CA THR A 426 19.605 -23.533 -0.086 1.00 0.00 C ATOM 1070 C THR A 426 20.617 -22.425 -0.352 1.00 0.00 C ATOM 1071 O THR A 426 21.766 -22.489 0.105 1.00 0.00 O ATOM 1072 CB THR A 426 19.064 -23.442 1.360 1.00 0.00 C ATOM 1073 OG1 THR A 426 20.053 -23.934 2.279 1.00 0.00 O ATOM 1074 CG2 THR A 426 17.776 -24.241 1.512 1.00 0.00 C ATOM 0 H THR A 426 21.034 -24.996 0.236 1.00 0.00 H new ATOM 0 HA THR A 426 18.767 -23.407 -0.771 1.00 0.00 H new ATOM 0 HB THR A 426 18.847 -22.397 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 426 19.708 -23.873 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 426 17.417 -24.160 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 426 17.021 -23.847 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 426 17.967 -25.288 1.276 1.00 0.00 H new ATOM 1082 N GLU A 427 20.215 -21.453 -1.104 1.00 0.00 N ATOM 1083 CA GLU A 427 21.057 -20.340 -1.426 1.00 0.00 C ATOM 1084 C GLU A 427 20.420 -19.074 -0.862 1.00 0.00 C ATOM 1085 O GLU A 427 19.230 -18.851 -1.053 1.00 0.00 O ATOM 1086 CB GLU A 427 21.188 -20.242 -2.951 1.00 0.00 C ATOM 1087 CG GLU A 427 22.072 -19.119 -3.458 1.00 0.00 C ATOM 1088 CD GLU A 427 22.079 -19.046 -4.963 1.00 0.00 C ATOM 1089 OE1 GLU A 427 22.916 -19.707 -5.601 1.00 0.00 O ATOM 1090 OE2 GLU A 427 21.240 -18.322 -5.542 1.00 0.00 O ATOM 0 H GLU A 427 19.284 -21.406 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 427 22.050 -20.466 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 427 21.580 -21.187 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 427 20.192 -20.118 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 427 21.724 -18.170 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 427 23.090 -19.267 -3.097 1.00 0.00 H new ATOM 1097 N PRO A 428 21.172 -18.265 -0.113 1.00 0.00 N ATOM 1098 CA PRO A 428 20.669 -16.998 0.423 1.00 0.00 C ATOM 1099 C PRO A 428 20.420 -15.983 -0.700 1.00 0.00 C ATOM 1100 O PRO A 428 21.195 -15.908 -1.675 1.00 0.00 O ATOM 1101 CB PRO A 428 21.798 -16.518 1.345 1.00 0.00 C ATOM 1102 CG PRO A 428 23.021 -17.205 0.844 1.00 0.00 C ATOM 1103 CD PRO A 428 22.562 -18.530 0.307 1.00 0.00 C ATOM 0 HA PRO A 428 19.716 -17.112 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 428 21.908 -15.434 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 428 21.597 -16.778 2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 428 23.508 -16.617 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 428 23.748 -17.339 1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 428 23.178 -18.860 -0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 428 22.611 -19.310 1.067 1.00 0.00 H new