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 -174:sc= -1.31! USER MOD Set 1.2: A 398 HIS : no HE2:sc= -2.88! C(o=-11!,f=-23!) USER MOD Set 1.3: A 416 CYS SG : rot 112:sc= 0.726 USER MOD Set 1.4: A 419 CYS SG : rot 109:sc= -7.15! USER MOD Set 1.5: A 421 CYS SG : rot 108:sc= -0.196! USER MOD Set 2.1: A 381 CYS SG : rot -119:sc= -1.09! USER MOD Set 2.2: A 384 CYS SG : rot -131:sc= -3.38! USER MOD Set 2.3: A 387 ASN : amide:sc= 0 K(o=-14,f=-15) USER MOD Set 2.4: A 401 CYS SG : rot -53:sc= -5.88! USER MOD Set 2.5: A 403 SER OG : rot -179:sc= 0.0326 USER MOD Set 2.6: A 404 CYS SG : rot 80:sc= -3.75! USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 LYS NZ :NH3+ -148:sc= 2.32 (180deg=2.15) USER MOD Single : A 400 MET CE :methyl -125:sc= -1.56 (180deg=-3.87!) USER MOD Single : A 402 THR OG1 : rot 114:sc= -0.0978! USER MOD Single : A 406 THR OG1 : rot 73:sc= 0.998 USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -0.0882 K(o=-0.088,f=-1.3) USER MOD Single : A 411 SER OG : rot -40:sc= 0.366 USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 LYS NZ :NH3+ -140:sc= 0.378 (180deg=-0.36) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 394 N LEU A 380 8.995 -9.782 -1.790 1.00 0.00 N ATOM 395 CA LEU A 380 8.163 -10.533 -0.823 1.00 0.00 C ATOM 396 C LEU A 380 8.034 -12.029 -1.099 1.00 0.00 C ATOM 397 O LEU A 380 8.022 -12.482 -2.248 1.00 0.00 O ATOM 398 CB LEU A 380 6.762 -9.932 -0.630 1.00 0.00 C ATOM 399 CG LEU A 380 6.658 -8.664 0.218 1.00 0.00 C ATOM 400 CD1 LEU A 380 5.209 -8.219 0.310 1.00 0.00 C ATOM 401 CD2 LEU A 380 7.202 -8.906 1.614 1.00 0.00 C ATOM 0 HA LEU A 380 8.730 -10.427 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 380 6.349 -9.715 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 380 6.127 -10.694 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 380 7.250 -7.883 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 380 5.144 -7.315 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 380 4.827 -8.014 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 380 4.615 -9.008 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 380 7.119 -7.991 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 380 6.630 -9.699 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 380 8.249 -9.202 1.550 1.00 0.00 H new ATOM 413 N CYS A 381 7.949 -12.777 -0.011 1.00 0.00 N ATOM 414 CA CYS A 381 7.689 -14.197 -0.014 1.00 0.00 C ATOM 415 C CYS A 381 6.195 -14.388 -0.213 1.00 0.00 C ATOM 416 O CYS A 381 5.419 -14.060 0.668 1.00 0.00 O ATOM 417 CB CYS A 381 8.126 -14.770 1.361 1.00 0.00 C ATOM 418 SG CYS A 381 7.621 -16.516 1.767 1.00 0.00 S ATOM 0 H CYS A 381 8.064 -12.394 0.927 1.00 0.00 H new ATOM 0 HA CYS A 381 8.235 -14.709 -0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 381 9.213 -14.713 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 381 7.730 -14.116 2.138 1.00 0.00 H new ATOM 0 HG CYS A 381 6.864 -16.514 2.824 1.00 0.00 H new ATOM 423 N LYS A 382 5.796 -14.932 -1.344 1.00 0.00 N ATOM 424 CA LYS A 382 4.370 -15.056 -1.691 1.00 0.00 C ATOM 425 C LYS A 382 3.612 -16.120 -0.884 1.00 0.00 C ATOM 426 O LYS A 382 2.425 -16.333 -1.097 1.00 0.00 O ATOM 427 CB LYS A 382 4.187 -15.264 -3.198 1.00 0.00 C ATOM 428 CG LYS A 382 4.699 -14.097 -4.020 1.00 0.00 C ATOM 429 CD LYS A 382 4.464 -14.291 -5.505 1.00 0.00 C ATOM 430 CE LYS A 382 4.960 -13.084 -6.283 1.00 0.00 C ATOM 431 NZ LYS A 382 4.765 -13.230 -7.736 1.00 0.00 N ATOM 0 H LYS A 382 6.432 -15.301 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 382 3.917 -14.106 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.709 -16.172 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 382 3.129 -15.417 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 382 4.206 -13.181 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 382 5.766 -13.967 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 382 4.979 -15.189 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 382 3.401 -14.442 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 382 4.436 -12.193 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 382 6.019 -12.932 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 5.119 -12.381 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 5.286 -14.064 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 3.752 -13.348 -7.940 1.00 0.00 H new ATOM 445 N ILE A 383 4.285 -16.778 0.031 1.00 0.00 N ATOM 446 CA ILE A 383 3.624 -17.743 0.899 1.00 0.00 C ATOM 447 C ILE A 383 2.938 -16.991 2.022 1.00 0.00 C ATOM 448 O ILE A 383 1.770 -17.225 2.338 1.00 0.00 O ATOM 449 CB ILE A 383 4.636 -18.723 1.538 1.00 0.00 C ATOM 450 CG1 ILE A 383 5.445 -19.400 0.459 1.00 0.00 C ATOM 451 CG2 ILE A 383 3.911 -19.769 2.394 1.00 0.00 C ATOM 452 CD1 ILE A 383 6.568 -20.256 0.967 1.00 0.00 C ATOM 0 H ILE A 383 5.285 -16.668 0.199 1.00 0.00 H new ATOM 0 HA ILE A 383 2.916 -18.311 0.296 1.00 0.00 H new ATOM 0 HB ILE A 383 5.307 -18.158 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 383 4.779 -20.017 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 383 5.857 -18.637 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 383 4.641 -20.448 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 383 3.356 -19.269 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 383 3.220 -20.335 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 383 7.095 -20.703 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 383 7.260 -19.643 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 383 6.165 -21.045 1.603 1.00 0.00 H new ATOM 464 N CYS A 384 3.670 -16.066 2.585 1.00 0.00 N ATOM 465 CA CYS A 384 3.231 -15.328 3.730 1.00 0.00 C ATOM 466 C CYS A 384 2.846 -13.888 3.376 1.00 0.00 C ATOM 467 O CYS A 384 1.924 -13.325 3.959 1.00 0.00 O ATOM 468 CB CYS A 384 4.355 -15.385 4.780 1.00 0.00 C ATOM 469 SG CYS A 384 6.067 -15.250 4.060 1.00 0.00 S ATOM 0 H CYS A 384 4.599 -15.804 2.254 1.00 0.00 H new ATOM 0 HA CYS A 384 2.323 -15.776 4.133 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.209 -14.578 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 384 4.276 -16.322 5.332 1.00 0.00 H new ATOM 0 HG CYS A 384 6.816 -16.197 4.541 1.00 0.00 H new ATOM 474 N ALA A 385 3.568 -13.309 2.404 1.00 0.00 N ATOM 475 CA ALA A 385 3.413 -11.912 1.958 1.00 0.00 C ATOM 476 C ALA A 385 3.742 -10.951 3.101 1.00 0.00 C ATOM 477 O ALA A 385 3.374 -9.776 3.089 1.00 0.00 O ATOM 478 CB ALA A 385 2.019 -11.658 1.375 1.00 0.00 C ATOM 0 H ALA A 385 4.294 -13.810 1.893 1.00 0.00 H new ATOM 0 HA ALA A 385 4.123 -11.728 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 385 1.942 -10.618 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.858 -12.312 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 385 1.264 -11.862 2.134 1.00 0.00 H new ATOM 484 N GLU A 386 4.465 -11.473 4.069 1.00 0.00 N ATOM 485 CA GLU A 386 4.862 -10.725 5.235 1.00 0.00 C ATOM 486 C GLU A 386 6.368 -10.557 5.218 1.00 0.00 C ATOM 487 O GLU A 386 6.884 -9.438 5.268 1.00 0.00 O ATOM 488 CB GLU A 386 4.429 -11.464 6.509 1.00 0.00 C ATOM 489 CG GLU A 386 2.939 -11.767 6.571 1.00 0.00 C ATOM 490 CD GLU A 386 2.540 -12.537 7.805 1.00 0.00 C ATOM 491 OE1 GLU A 386 2.845 -13.738 7.900 1.00 0.00 O ATOM 492 OE2 GLU A 386 1.913 -11.956 8.707 1.00 0.00 O ATOM 0 H GLU A 386 4.795 -12.438 4.065 1.00 0.00 H new ATOM 0 HA GLU A 386 4.382 -9.746 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 386 4.983 -12.400 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 386 4.704 -10.864 7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 386 2.383 -10.830 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 386 2.654 -12.337 5.687 1.00 0.00 H new ATOM 499 N ASN A 387 7.068 -11.670 5.109 1.00 0.00 N ATOM 500 CA ASN A 387 8.523 -11.655 5.077 1.00 0.00 C ATOM 501 C ASN A 387 8.999 -11.572 3.656 1.00 0.00 C ATOM 502 O ASN A 387 8.267 -11.931 2.711 1.00 0.00 O ATOM 503 CB ASN A 387 9.133 -12.912 5.714 1.00 0.00 C ATOM 504 CG ASN A 387 8.864 -13.073 7.191 1.00 0.00 C ATOM 505 OD1 ASN A 387 8.709 -12.103 7.925 1.00 0.00 O ATOM 506 ND2 ASN A 387 8.831 -14.302 7.639 1.00 0.00 N ATOM 0 H ASN A 387 6.654 -12.600 5.041 1.00 0.00 H new ATOM 0 HA ASN A 387 8.844 -10.785 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 387 8.749 -13.789 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 387 10.211 -12.894 5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 387 8.672 -14.479 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 387 8.964 -15.083 6.996 1.00 0.00 H new ATOM 513 N ASP A 388 10.203 -11.116 3.495 1.00 0.00 N ATOM 514 CA ASP A 388 10.825 -11.016 2.199 1.00 0.00 C ATOM 515 C ASP A 388 11.584 -12.293 1.893 1.00 0.00 C ATOM 516 O ASP A 388 11.888 -13.074 2.801 1.00 0.00 O ATOM 517 CB ASP A 388 11.751 -9.794 2.122 1.00 0.00 C ATOM 518 CG ASP A 388 11.000 -8.469 2.135 1.00 0.00 C ATOM 519 OD1 ASP A 388 10.701 -7.936 3.237 1.00 0.00 O ATOM 520 OD2 ASP A 388 10.705 -7.921 1.047 1.00 0.00 O ATOM 0 H ASP A 388 10.793 -10.798 4.264 1.00 0.00 H new ATOM 0 HA ASP A 388 10.046 -10.882 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 388 12.445 -9.819 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 388 12.349 -9.856 1.213 1.00 0.00 H new ATOM 525 N LYS A 389 11.852 -12.519 0.629 1.00 0.00 N ATOM 526 CA LYS A 389 12.538 -13.705 0.166 1.00 0.00 C ATOM 527 C LYS A 389 13.973 -13.748 0.672 1.00 0.00 C ATOM 528 O LYS A 389 14.808 -12.893 0.339 1.00 0.00 O ATOM 529 CB LYS A 389 12.441 -13.824 -1.358 1.00 0.00 C ATOM 530 CG LYS A 389 11.005 -14.034 -1.832 1.00 0.00 C ATOM 531 CD LYS A 389 10.855 -14.054 -3.345 1.00 0.00 C ATOM 532 CE LYS A 389 11.164 -12.714 -3.964 1.00 0.00 C ATOM 533 NZ LYS A 389 10.970 -12.714 -5.427 1.00 0.00 N ATOM 0 H LYS A 389 11.596 -11.875 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 389 12.042 -14.580 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.845 -12.922 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 389 13.058 -14.657 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 389 10.632 -14.975 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 389 10.378 -13.241 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 389 11.520 -14.809 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 389 9.837 -14.346 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 389 10.525 -11.953 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 389 12.194 -12.440 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 11.194 -11.772 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 11.598 -13.421 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 9.981 -12.949 -5.646 1.00 0.00 H new ATOM 547 N ASP A 390 14.233 -14.749 1.472 1.00 0.00 N ATOM 548 CA ASP A 390 15.498 -14.900 2.170 1.00 0.00 C ATOM 549 C ASP A 390 16.243 -16.150 1.702 1.00 0.00 C ATOM 550 O ASP A 390 17.472 -16.218 1.776 1.00 0.00 O ATOM 551 CB ASP A 390 15.225 -14.968 3.692 1.00 0.00 C ATOM 552 CG ASP A 390 16.476 -15.119 4.546 1.00 0.00 C ATOM 553 OD1 ASP A 390 17.261 -14.148 4.653 1.00 0.00 O ATOM 554 OD2 ASP A 390 16.691 -16.211 5.130 1.00 0.00 O ATOM 0 H ASP A 390 13.567 -15.497 1.665 1.00 0.00 H new ATOM 0 HA ASP A 390 16.132 -14.042 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 390 14.699 -14.063 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 390 14.559 -15.807 3.893 1.00 0.00 H new ATOM 559 N VAL A 391 15.521 -17.111 1.165 1.00 0.00 N ATOM 560 CA VAL A 391 16.130 -18.362 0.778 1.00 0.00 C ATOM 561 C VAL A 391 15.737 -18.758 -0.654 1.00 0.00 C ATOM 562 O VAL A 391 14.582 -18.593 -1.085 1.00 0.00 O ATOM 563 CB VAL A 391 15.769 -19.494 1.782 1.00 0.00 C ATOM 564 CG1 VAL A 391 14.293 -19.860 1.737 1.00 0.00 C ATOM 565 CG2 VAL A 391 16.647 -20.708 1.586 1.00 0.00 C ATOM 0 H VAL A 391 14.518 -17.049 0.988 1.00 0.00 H new ATOM 0 HA VAL A 391 17.211 -18.220 0.800 1.00 0.00 H new ATOM 0 HB VAL A 391 15.964 -19.102 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 391 14.093 -20.654 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 391 13.693 -18.985 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 391 14.034 -20.203 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 391 16.367 -21.479 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 391 16.518 -21.091 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 391 17.690 -20.431 1.739 1.00 0.00 H new ATOM 575 N LYS A 392 16.717 -19.192 -1.381 1.00 0.00 N ATOM 576 CA LYS A 392 16.594 -19.669 -2.724 1.00 0.00 C ATOM 577 C LYS A 392 16.826 -21.171 -2.698 1.00 0.00 C ATOM 578 O LYS A 392 17.888 -21.635 -2.290 1.00 0.00 O ATOM 579 CB LYS A 392 17.633 -18.923 -3.587 1.00 0.00 C ATOM 580 CG LYS A 392 17.806 -19.369 -5.029 1.00 0.00 C ATOM 581 CD LYS A 392 18.616 -18.312 -5.782 1.00 0.00 C ATOM 582 CE LYS A 392 19.030 -18.753 -7.173 1.00 0.00 C ATOM 583 NZ LYS A 392 20.051 -19.810 -7.120 1.00 0.00 N ATOM 0 H LYS A 392 17.676 -19.225 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 392 15.609 -19.484 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 392 17.367 -17.866 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 392 18.601 -19.005 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 392 18.316 -20.332 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 392 16.833 -19.505 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 392 18.026 -17.398 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 392 19.508 -18.068 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 392 18.157 -19.115 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 392 19.418 -17.898 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 20.683 -19.724 -7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 20.605 -19.714 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 19.588 -20.741 -7.136 1.00 0.00 H new ATOM 597 N ILE A 393 15.829 -21.912 -3.057 1.00 0.00 N ATOM 598 CA ILE A 393 15.883 -23.359 -3.019 1.00 0.00 C ATOM 599 C ILE A 393 16.603 -23.893 -4.245 1.00 0.00 C ATOM 600 O ILE A 393 16.187 -23.649 -5.357 1.00 0.00 O ATOM 601 CB ILE A 393 14.447 -23.989 -2.926 1.00 0.00 C ATOM 602 CG1 ILE A 393 13.781 -23.719 -1.563 1.00 0.00 C ATOM 603 CG2 ILE A 393 14.449 -25.478 -3.217 1.00 0.00 C ATOM 604 CD1 ILE A 393 13.309 -22.305 -1.335 1.00 0.00 C ATOM 0 H ILE A 393 14.940 -21.538 -3.390 1.00 0.00 H new ATOM 0 HA ILE A 393 16.435 -23.644 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 393 13.858 -23.495 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 393 12.928 -24.389 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 393 14.489 -23.978 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 393 13.433 -25.865 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 393 14.828 -25.651 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 393 15.088 -25.989 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 393 12.857 -22.227 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 393 14.157 -21.623 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 393 12.571 -22.041 -2.093 1.00 0.00 H new ATOM 616 N GLU A 394 17.656 -24.619 -4.023 1.00 0.00 N ATOM 617 CA GLU A 394 18.448 -25.194 -5.081 1.00 0.00 C ATOM 618 C GLU A 394 18.135 -26.675 -5.226 1.00 0.00 C ATOM 619 O GLU A 394 17.813 -27.342 -4.231 1.00 0.00 O ATOM 620 CB GLU A 394 19.935 -24.988 -4.808 1.00 0.00 C ATOM 621 CG GLU A 394 20.368 -23.542 -4.906 1.00 0.00 C ATOM 622 CD GLU A 394 20.089 -22.984 -6.275 1.00 0.00 C ATOM 623 OE1 GLU A 394 20.788 -23.339 -7.225 1.00 0.00 O ATOM 624 OE2 GLU A 394 19.155 -22.190 -6.437 1.00 0.00 O ATOM 0 H GLU A 394 18.000 -24.836 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 394 18.198 -24.691 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 394 20.170 -25.363 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 394 20.513 -25.582 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 394 19.844 -22.951 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 394 21.433 -23.463 -4.688 1.00 0.00 H new ATOM 631 N PRO A 395 18.209 -27.231 -6.458 1.00 0.00 N ATOM 632 CA PRO A 395 18.592 -26.485 -7.683 1.00 0.00 C ATOM 633 C PRO A 395 17.390 -25.808 -8.348 1.00 0.00 C ATOM 634 O PRO A 395 17.514 -25.193 -9.409 1.00 0.00 O ATOM 635 CB PRO A 395 19.125 -27.595 -8.585 1.00 0.00 C ATOM 636 CG PRO A 395 18.318 -28.797 -8.216 1.00 0.00 C ATOM 637 CD PRO A 395 17.965 -28.659 -6.752 1.00 0.00 C ATOM 0 HA PRO A 395 19.300 -25.681 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 395 19.003 -27.343 -9.638 1.00 0.00 H new ATOM 0 HB3 PRO A 395 20.189 -27.765 -8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 395 17.417 -28.859 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 395 18.885 -29.711 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 395 16.927 -28.933 -6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 395 18.583 -29.306 -6.130 1.00 0.00 H new ATOM 645 N CYS A 396 16.257 -25.933 -7.695 1.00 0.00 N ATOM 646 CA CYS A 396 14.968 -25.432 -8.134 1.00 0.00 C ATOM 647 C CYS A 396 15.029 -23.965 -8.641 1.00 0.00 C ATOM 648 O CYS A 396 14.718 -23.678 -9.805 1.00 0.00 O ATOM 649 CB CYS A 396 14.024 -25.553 -6.944 1.00 0.00 C ATOM 650 SG CYS A 396 12.310 -25.053 -7.235 1.00 0.00 S ATOM 0 H CYS A 396 16.204 -26.412 -6.796 1.00 0.00 H new ATOM 0 HA CYS A 396 14.621 -26.017 -8.986 1.00 0.00 H new ATOM 0 HB2 CYS A 396 14.027 -26.590 -6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 396 14.423 -24.952 -6.127 1.00 0.00 H new ATOM 0 HG CYS A 396 11.652 -25.085 -6.114 1.00 0.00 H new ATOM 655 N GLY A 397 15.460 -23.075 -7.791 1.00 0.00 N ATOM 656 CA GLY A 397 15.530 -21.683 -8.126 1.00 0.00 C ATOM 657 C GLY A 397 14.334 -20.918 -7.628 1.00 0.00 C ATOM 658 O GLY A 397 14.105 -19.783 -8.036 1.00 0.00 O ATOM 0 H GLY A 397 15.773 -23.296 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 397 16.437 -21.254 -7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 397 15.604 -21.575 -9.208 1.00 0.00 H new ATOM 662 N HIS A 398 13.560 -21.535 -6.754 1.00 0.00 N ATOM 663 CA HIS A 398 12.397 -20.869 -6.187 1.00 0.00 C ATOM 664 C HIS A 398 12.785 -20.031 -5.012 1.00 0.00 C ATOM 665 O HIS A 398 13.694 -20.392 -4.247 1.00 0.00 O ATOM 666 CB HIS A 398 11.243 -21.830 -5.868 1.00 0.00 C ATOM 667 CG HIS A 398 10.563 -22.339 -7.106 1.00 0.00 C ATOM 668 ND1 HIS A 398 9.546 -23.278 -7.121 1.00 0.00 N ATOM 669 CD2 HIS A 398 10.778 -22.009 -8.406 1.00 0.00 C ATOM 670 CE1 HIS A 398 9.197 -23.480 -8.412 1.00 0.00 C ATOM 671 NE2 HIS A 398 9.915 -22.737 -9.217 1.00 0.00 N ATOM 0 H HIS A 398 13.712 -22.488 -6.422 1.00 0.00 H new ATOM 0 HA HIS A 398 12.006 -20.203 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 398 11.625 -22.674 -5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 398 10.513 -21.321 -5.239 1.00 0.00 H new ATOM 0 HD1 HIS A 398 9.135 -23.734 -6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 398 11.506 -21.292 -8.755 1.00 0.00 H new ATOM 0 HE1 HIS A 398 8.427 -24.164 -8.737 1.00 0.00 H new ATOM 679 N LEU A 399 12.111 -18.926 -4.870 1.00 0.00 N ATOM 680 CA LEU A 399 12.488 -17.913 -3.924 1.00 0.00 C ATOM 681 C LEU A 399 11.380 -17.704 -2.897 1.00 0.00 C ATOM 682 O LEU A 399 10.209 -17.570 -3.258 1.00 0.00 O ATOM 683 CB LEU A 399 12.727 -16.627 -4.713 1.00 0.00 C ATOM 684 CG LEU A 399 13.635 -16.752 -5.950 1.00 0.00 C ATOM 685 CD1 LEU A 399 13.648 -15.468 -6.726 1.00 0.00 C ATOM 686 CD2 LEU A 399 15.045 -17.136 -5.564 1.00 0.00 C ATOM 0 H LEU A 399 11.277 -18.700 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 399 13.387 -18.208 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 399 11.761 -16.237 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 399 13.162 -15.888 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 399 13.227 -17.544 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 399 14.295 -15.576 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 399 12.636 -15.230 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 399 14.023 -14.664 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 399 15.659 -17.216 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 399 15.462 -16.374 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 399 15.032 -18.095 -5.047 1.00 0.00 H new ATOM 698 N MET A 400 11.748 -17.673 -1.623 1.00 0.00 N ATOM 699 CA MET A 400 10.787 -17.518 -0.526 1.00 0.00 C ATOM 700 C MET A 400 11.536 -17.187 0.754 1.00 0.00 C ATOM 701 O MET A 400 12.753 -17.004 0.719 1.00 0.00 O ATOM 702 CB MET A 400 9.985 -18.814 -0.361 1.00 0.00 C ATOM 703 CG MET A 400 10.828 -20.023 -0.009 1.00 0.00 C ATOM 704 SD MET A 400 9.947 -21.570 -0.239 1.00 0.00 S ATOM 705 CE MET A 400 9.760 -21.573 -2.028 1.00 0.00 C ATOM 0 H MET A 400 12.717 -17.754 -1.316 1.00 0.00 H new ATOM 0 HA MET A 400 10.095 -16.706 -0.750 1.00 0.00 H new ATOM 0 HB2 MET A 400 9.236 -18.668 0.417 1.00 0.00 H new ATOM 0 HB3 MET A 400 9.448 -19.016 -1.287 1.00 0.00 H new ATOM 0 HG2 MET A 400 11.727 -20.026 -0.625 1.00 0.00 H new ATOM 0 HG3 MET A 400 11.153 -19.945 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 400 8.706 -21.683 -2.283 1.00 0.00 H new ATOM 0 HE2 MET A 400 10.136 -20.634 -2.435 1.00 0.00 H new ATOM 0 HE3 MET A 400 10.325 -22.403 -2.451 1.00 0.00 H new ATOM 715 N CYS A 401 10.849 -17.065 1.863 1.00 0.00 N ATOM 716 CA CYS A 401 11.534 -16.827 3.108 1.00 0.00 C ATOM 717 C CYS A 401 11.740 -18.127 3.844 1.00 0.00 C ATOM 718 O CYS A 401 10.868 -19.017 3.819 1.00 0.00 O ATOM 719 CB CYS A 401 10.833 -15.764 3.981 1.00 0.00 C ATOM 720 SG CYS A 401 9.062 -16.073 4.357 1.00 0.00 S ATOM 0 H CYS A 401 9.833 -17.125 1.930 1.00 0.00 H new ATOM 0 HA CYS A 401 12.513 -16.409 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 401 11.375 -15.681 4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 401 10.915 -14.799 3.480 1.00 0.00 H new ATOM 0 HG CYS A 401 8.411 -16.269 3.249 1.00 0.00 H new ATOM 725 N THR A 402 12.892 -18.246 4.463 1.00 0.00 N ATOM 726 CA THR A 402 13.299 -19.422 5.182 1.00 0.00 C ATOM 727 C THR A 402 12.280 -19.819 6.262 1.00 0.00 C ATOM 728 O THR A 402 12.089 -20.985 6.506 1.00 0.00 O ATOM 729 CB THR A 402 14.678 -19.159 5.787 1.00 0.00 C ATOM 730 OG1 THR A 402 15.452 -18.487 4.779 1.00 0.00 O ATOM 731 CG2 THR A 402 15.376 -20.467 6.149 1.00 0.00 C ATOM 0 H THR A 402 13.590 -17.502 4.478 1.00 0.00 H new ATOM 0 HA THR A 402 13.350 -20.265 4.493 1.00 0.00 H new ATOM 0 HB THR A 402 14.579 -18.565 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 402 15.654 -17.575 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 402 16.355 -20.251 6.577 1.00 0.00 H new ATOM 0 HG22 THR A 402 14.774 -21.011 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 402 15.499 -21.074 5.252 1.00 0.00 H new ATOM 739 N SER A 403 11.596 -18.837 6.847 1.00 0.00 N ATOM 740 CA SER A 403 10.570 -19.076 7.852 1.00 0.00 C ATOM 741 C SER A 403 9.495 -20.045 7.317 1.00 0.00 C ATOM 742 O SER A 403 9.167 -21.050 7.960 1.00 0.00 O ATOM 743 CB SER A 403 9.944 -17.741 8.204 1.00 0.00 C ATOM 744 OG SER A 403 10.964 -16.767 8.371 1.00 0.00 O ATOM 0 H SER A 403 11.741 -17.850 6.634 1.00 0.00 H new ATOM 0 HA SER A 403 11.015 -19.534 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 403 9.256 -17.431 7.417 1.00 0.00 H new ATOM 0 HB3 SER A 403 9.360 -17.832 9.120 1.00 0.00 H new ATOM 0 HG SER A 403 10.559 -15.908 8.613 1.00 0.00 H new ATOM 750 N CYS A 404 9.012 -19.769 6.108 1.00 0.00 N ATOM 751 CA CYS A 404 8.005 -20.598 5.484 1.00 0.00 C ATOM 752 C CYS A 404 8.614 -21.954 5.132 1.00 0.00 C ATOM 753 O CYS A 404 7.999 -22.997 5.328 1.00 0.00 O ATOM 754 CB CYS A 404 7.514 -19.927 4.204 1.00 0.00 C ATOM 755 SG CYS A 404 6.976 -18.174 4.375 1.00 0.00 S ATOM 0 H CYS A 404 9.309 -18.972 5.545 1.00 0.00 H new ATOM 0 HA CYS A 404 7.170 -20.733 6.172 1.00 0.00 H new ATOM 0 HB2 CYS A 404 8.312 -19.972 3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 404 6.680 -20.507 3.809 1.00 0.00 H new ATOM 0 HG CYS A 404 8.020 -17.399 4.391 1.00 0.00 H new ATOM 760 N LEU A 405 9.850 -21.914 4.650 1.00 0.00 N ATOM 761 CA LEU A 405 10.559 -23.103 4.221 1.00 0.00 C ATOM 762 C LEU A 405 10.793 -24.068 5.388 1.00 0.00 C ATOM 763 O LEU A 405 10.511 -25.248 5.270 1.00 0.00 O ATOM 764 CB LEU A 405 11.890 -22.732 3.564 1.00 0.00 C ATOM 765 CG LEU A 405 12.710 -23.894 2.998 1.00 0.00 C ATOM 766 CD1 LEU A 405 11.971 -24.583 1.859 1.00 0.00 C ATOM 767 CD2 LEU A 405 14.069 -23.408 2.540 1.00 0.00 C ATOM 0 H LEU A 405 10.386 -21.052 4.547 1.00 0.00 H new ATOM 0 HA LEU A 405 9.934 -23.610 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 405 11.689 -22.029 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.501 -22.207 4.299 1.00 0.00 H new ATOM 0 HG LEU A 405 12.854 -24.626 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 405 12.577 -25.404 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.021 -24.973 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.785 -23.866 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 405 14.640 -24.246 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 405 13.943 -22.652 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 405 14.604 -22.975 3.385 1.00 0.00 H new ATOM 779 N THR A 406 11.288 -23.556 6.513 1.00 0.00 N ATOM 780 CA THR A 406 11.546 -24.374 7.688 1.00 0.00 C ATOM 781 C THR A 406 10.242 -24.989 8.192 1.00 0.00 C ATOM 782 O THR A 406 10.184 -26.189 8.466 1.00 0.00 O ATOM 783 CB THR A 406 12.166 -23.534 8.818 1.00 0.00 C ATOM 784 OG1 THR A 406 13.260 -22.754 8.299 1.00 0.00 O ATOM 785 CG2 THR A 406 12.698 -24.429 9.922 1.00 0.00 C ATOM 0 H THR A 406 11.519 -22.570 6.632 1.00 0.00 H new ATOM 0 HA THR A 406 12.245 -25.160 7.402 1.00 0.00 H new ATOM 0 HB THR A 406 11.391 -22.882 9.221 1.00 0.00 H new ATOM 0 HG1 THR A 406 12.908 -22.021 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.132 -23.815 10.711 1.00 0.00 H new ATOM 0 HG22 THR A 406 11.882 -25.024 10.333 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.462 -25.092 9.516 1.00 0.00 H new ATOM 793 N SER A 407 9.199 -24.159 8.253 1.00 0.00 N ATOM 794 CA SER A 407 7.886 -24.573 8.698 1.00 0.00 C ATOM 795 C SER A 407 7.388 -25.720 7.796 1.00 0.00 C ATOM 796 O SER A 407 6.923 -26.755 8.276 1.00 0.00 O ATOM 797 CB SER A 407 6.939 -23.350 8.638 1.00 0.00 C ATOM 798 OG SER A 407 5.693 -23.589 9.272 1.00 0.00 O ATOM 0 H SER A 407 9.252 -23.175 7.991 1.00 0.00 H new ATOM 0 HA SER A 407 7.916 -24.939 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 407 7.425 -22.497 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.766 -23.081 7.596 1.00 0.00 H new ATOM 0 HG SER A 407 5.134 -22.787 9.208 1.00 0.00 H new ATOM 804 N TRP A 408 7.566 -25.544 6.500 1.00 0.00 N ATOM 805 CA TRP A 408 7.180 -26.521 5.517 1.00 0.00 C ATOM 806 C TRP A 408 8.026 -27.801 5.621 1.00 0.00 C ATOM 807 O TRP A 408 7.477 -28.891 5.659 1.00 0.00 O ATOM 808 CB TRP A 408 7.251 -25.903 4.118 1.00 0.00 C ATOM 809 CG TRP A 408 6.946 -26.846 3.003 1.00 0.00 C ATOM 810 CD1 TRP A 408 7.811 -27.269 2.055 1.00 0.00 C ATOM 811 CD2 TRP A 408 5.697 -27.494 2.729 1.00 0.00 C ATOM 812 NE1 TRP A 408 7.181 -28.113 1.190 1.00 0.00 N ATOM 813 CE2 TRP A 408 5.888 -28.283 1.586 1.00 0.00 C ATOM 814 CE3 TRP A 408 4.438 -27.477 3.333 1.00 0.00 C ATOM 815 CZ2 TRP A 408 4.877 -29.055 1.033 1.00 0.00 C ATOM 816 CZ3 TRP A 408 3.432 -28.243 2.786 1.00 0.00 C ATOM 817 CH2 TRP A 408 3.656 -29.023 1.645 1.00 0.00 C ATOM 0 H TRP A 408 7.989 -24.705 6.102 1.00 0.00 H new ATOM 0 HA TRP A 408 6.150 -26.819 5.711 1.00 0.00 H new ATOM 0 HB2 TRP A 408 6.554 -25.067 4.069 1.00 0.00 H new ATOM 0 HB3 TRP A 408 8.250 -25.494 3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 408 8.850 -26.980 1.992 1.00 0.00 H new ATOM 0 HE1 TRP A 408 7.610 -28.549 0.374 1.00 0.00 H new ATOM 0 HE3 TRP A 408 4.257 -26.875 4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 408 5.048 -29.658 0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 408 2.454 -28.242 3.245 1.00 0.00 H new ATOM 0 HH2 TRP A 408 2.846 -29.612 1.240 1.00 0.00 H new ATOM 828 N GLN A 409 9.349 -27.662 5.701 1.00 0.00 N ATOM 829 CA GLN A 409 10.240 -28.826 5.796 1.00 0.00 C ATOM 830 C GLN A 409 9.980 -29.626 7.062 1.00 0.00 C ATOM 831 O GLN A 409 9.987 -30.857 7.038 1.00 0.00 O ATOM 832 CB GLN A 409 11.721 -28.443 5.712 1.00 0.00 C ATOM 833 CG GLN A 409 12.153 -27.875 4.371 1.00 0.00 C ATOM 834 CD GLN A 409 13.647 -27.634 4.314 1.00 0.00 C ATOM 835 OE1 GLN A 409 14.133 -26.555 4.658 1.00 0.00 O ATOM 836 NE2 GLN A 409 14.384 -28.630 3.890 1.00 0.00 N ATOM 0 H GLN A 409 9.829 -26.762 5.702 1.00 0.00 H new ATOM 0 HA GLN A 409 10.011 -29.451 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 409 11.938 -27.710 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 409 12.324 -29.325 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 409 11.866 -28.563 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 409 11.627 -26.938 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 409 13.945 -29.508 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 409 15.397 -28.528 3.836 1.00 0.00 H new ATOM 845 N GLU A 410 9.710 -28.936 8.157 1.00 0.00 N ATOM 846 CA GLU A 410 9.410 -29.601 9.416 1.00 0.00 C ATOM 847 C GLU A 410 8.003 -30.202 9.425 1.00 0.00 C ATOM 848 O GLU A 410 7.662 -30.998 10.291 1.00 0.00 O ATOM 849 CB GLU A 410 9.649 -28.690 10.617 1.00 0.00 C ATOM 850 CG GLU A 410 11.114 -28.408 10.879 1.00 0.00 C ATOM 851 CD GLU A 410 11.333 -27.681 12.173 1.00 0.00 C ATOM 852 OE1 GLU A 410 11.497 -28.348 13.217 1.00 0.00 O ATOM 853 OE2 GLU A 410 11.344 -26.444 12.179 1.00 0.00 O ATOM 0 H GLU A 410 9.692 -27.917 8.201 1.00 0.00 H new ATOM 0 HA GLU A 410 10.110 -30.432 9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 410 9.128 -27.746 10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 410 9.211 -29.148 11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 410 11.665 -29.348 10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 410 11.520 -27.815 10.059 1.00 0.00 H new ATOM 860 N SER A 411 7.214 -29.837 8.447 1.00 0.00 N ATOM 861 CA SER A 411 5.899 -30.394 8.267 1.00 0.00 C ATOM 862 C SER A 411 5.958 -31.392 7.094 1.00 0.00 C ATOM 863 O SER A 411 4.918 -31.874 6.605 1.00 0.00 O ATOM 864 CB SER A 411 4.901 -29.259 7.981 1.00 0.00 C ATOM 865 OG SER A 411 3.561 -29.731 7.924 1.00 0.00 O ATOM 0 H SER A 411 7.469 -29.139 7.748 1.00 0.00 H new ATOM 0 HA SER A 411 5.568 -30.916 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 411 4.985 -28.498 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.157 -28.780 7.036 1.00 0.00 H new ATOM 0 HG SER A 411 3.537 -30.591 7.455 1.00 0.00 H new ATOM 871 N GLU A 412 7.202 -31.706 6.698 1.00 0.00 N ATOM 872 CA GLU A 412 7.559 -32.595 5.596 1.00 0.00 C ATOM 873 C GLU A 412 7.386 -31.949 4.229 1.00 0.00 C ATOM 874 O GLU A 412 6.279 -31.900 3.662 1.00 0.00 O ATOM 875 CB GLU A 412 6.921 -33.985 5.671 1.00 0.00 C ATOM 876 CG GLU A 412 7.397 -34.814 6.849 1.00 0.00 C ATOM 877 CD GLU A 412 6.854 -36.216 6.821 1.00 0.00 C ATOM 878 OE1 GLU A 412 7.375 -37.048 6.047 1.00 0.00 O ATOM 879 OE2 GLU A 412 5.924 -36.530 7.583 1.00 0.00 O ATOM 0 H GLU A 412 8.024 -31.324 7.166 1.00 0.00 H new ATOM 0 HA GLU A 412 8.627 -32.768 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 412 5.838 -33.875 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 412 7.137 -34.524 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 412 8.486 -34.849 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 412 7.095 -34.329 7.777 1.00 0.00 H new ATOM 886 N GLY A 413 8.482 -31.465 3.709 1.00 0.00 N ATOM 887 CA GLY A 413 8.501 -30.824 2.434 1.00 0.00 C ATOM 888 C GLY A 413 9.428 -31.540 1.484 1.00 0.00 C ATOM 889 O GLY A 413 10.645 -31.405 1.580 1.00 0.00 O ATOM 0 H GLY A 413 9.392 -31.508 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 413 7.494 -30.803 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 413 8.820 -29.788 2.548 1.00 0.00 H new ATOM 893 N GLN A 414 8.857 -32.291 0.557 1.00 0.00 N ATOM 894 CA GLN A 414 9.638 -33.081 -0.409 1.00 0.00 C ATOM 895 C GLN A 414 9.900 -32.225 -1.663 1.00 0.00 C ATOM 896 O GLN A 414 10.475 -32.672 -2.671 1.00 0.00 O ATOM 897 CB GLN A 414 8.863 -34.370 -0.752 1.00 0.00 C ATOM 898 CG GLN A 414 9.644 -35.415 -1.543 1.00 0.00 C ATOM 899 CD GLN A 414 8.814 -36.647 -1.861 1.00 0.00 C ATOM 900 OE1 GLN A 414 8.160 -36.721 -2.899 1.00 0.00 O ATOM 901 NE2 GLN A 414 8.824 -37.609 -0.978 1.00 0.00 N ATOM 0 H GLN A 414 7.847 -32.377 0.444 1.00 0.00 H new ATOM 0 HA GLN A 414 10.601 -33.367 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 414 8.520 -34.825 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 414 7.974 -34.098 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 414 9.999 -34.971 -2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 414 10.525 -35.712 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 414 9.378 -37.514 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 414 8.278 -38.455 -1.139 1.00 0.00 H new ATOM 910 N GLY A 415 9.490 -31.003 -1.560 1.00 0.00 N ATOM 911 CA GLY A 415 9.636 -30.045 -2.592 1.00 0.00 C ATOM 912 C GLY A 415 9.207 -28.709 -2.068 1.00 0.00 C ATOM 913 O GLY A 415 8.709 -28.663 -0.944 1.00 0.00 O ATOM 0 H GLY A 415 9.030 -30.638 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 415 10.672 -30.005 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 415 9.032 -30.324 -3.456 1.00 0.00 H new ATOM 917 N CYS A 416 9.424 -27.630 -2.841 1.00 0.00 N ATOM 918 CA CYS A 416 9.028 -26.267 -2.454 1.00 0.00 C ATOM 919 C CYS A 416 7.552 -26.248 -1.991 1.00 0.00 C ATOM 920 O CYS A 416 6.734 -26.938 -2.557 1.00 0.00 O ATOM 921 CB CYS A 416 9.140 -25.320 -3.655 1.00 0.00 C ATOM 922 SG CYS A 416 10.678 -25.410 -4.655 1.00 0.00 S ATOM 0 H CYS A 416 9.879 -27.680 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 416 9.688 -25.947 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 416 8.295 -25.512 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 416 9.033 -24.298 -3.291 1.00 0.00 H new ATOM 0 HG CYS A 416 10.402 -25.886 -5.833 1.00 0.00 H new ATOM 927 N PRO A 417 7.207 -25.437 -0.997 1.00 0.00 N ATOM 928 CA PRO A 417 5.832 -25.369 -0.446 1.00 0.00 C ATOM 929 C PRO A 417 4.730 -25.087 -1.494 1.00 0.00 C ATOM 930 O PRO A 417 3.588 -25.514 -1.330 1.00 0.00 O ATOM 931 CB PRO A 417 5.896 -24.232 0.580 1.00 0.00 C ATOM 932 CG PRO A 417 7.215 -23.565 0.366 1.00 0.00 C ATOM 933 CD PRO A 417 8.124 -24.552 -0.284 1.00 0.00 C ATOM 0 HA PRO A 417 5.550 -26.335 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 417 5.075 -23.530 0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 417 5.813 -24.617 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 417 7.099 -22.681 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.632 -23.229 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 417 8.824 -24.067 -0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.718 -25.096 0.450 1.00 0.00 H new ATOM 941 N PHE A 418 5.083 -24.384 -2.552 1.00 0.00 N ATOM 942 CA PHE A 418 4.126 -24.039 -3.602 1.00 0.00 C ATOM 943 C PHE A 418 3.930 -25.221 -4.571 1.00 0.00 C ATOM 944 O PHE A 418 2.889 -25.870 -4.628 1.00 0.00 O ATOM 945 CB PHE A 418 4.662 -22.875 -4.474 1.00 0.00 C ATOM 946 CG PHE A 418 5.002 -21.558 -3.831 1.00 0.00 C ATOM 947 CD1 PHE A 418 6.186 -21.381 -3.133 1.00 0.00 C ATOM 948 CD2 PHE A 418 4.173 -20.467 -4.008 1.00 0.00 C ATOM 949 CE1 PHE A 418 6.520 -20.140 -2.630 1.00 0.00 C ATOM 950 CE2 PHE A 418 4.500 -19.232 -3.491 1.00 0.00 C ATOM 951 CZ PHE A 418 5.674 -19.067 -2.808 1.00 0.00 C ATOM 0 H PHE A 418 6.028 -24.036 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 418 3.197 -23.771 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 418 5.560 -23.233 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 418 3.919 -22.678 -5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 418 6.851 -22.219 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 418 3.253 -20.584 -4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 418 7.449 -20.009 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 418 3.830 -18.395 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 418 5.937 -18.098 -2.409 1.00 0.00 H new ATOM 961 N CYS A 419 4.993 -25.476 -5.277 1.00 0.00 N ATOM 962 CA CYS A 419 5.081 -26.335 -6.427 1.00 0.00 C ATOM 963 C CYS A 419 5.478 -27.771 -6.100 1.00 0.00 C ATOM 964 O CYS A 419 5.246 -28.687 -6.903 1.00 0.00 O ATOM 965 CB CYS A 419 6.153 -25.676 -7.241 1.00 0.00 C ATOM 966 SG CYS A 419 7.226 -24.633 -6.145 1.00 0.00 S ATOM 0 H CYS A 419 5.894 -25.056 -5.047 1.00 0.00 H new ATOM 0 HA CYS A 419 4.116 -26.436 -6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 419 6.757 -26.432 -7.743 1.00 0.00 H new ATOM 0 HB3 CYS A 419 5.704 -25.059 -8.019 1.00 0.00 H new ATOM 0 HG CYS A 419 8.394 -25.190 -6.024 1.00 0.00 H new ATOM 971 N ARG A 420 6.077 -27.955 -4.941 1.00 0.00 N ATOM 972 CA ARG A 420 6.587 -29.243 -4.480 1.00 0.00 C ATOM 973 C ARG A 420 7.700 -29.801 -5.367 1.00 0.00 C ATOM 974 O ARG A 420 7.898 -31.007 -5.460 1.00 0.00 O ATOM 975 CB ARG A 420 5.461 -30.243 -4.209 1.00 0.00 C ATOM 976 CG ARG A 420 4.751 -29.968 -2.891 1.00 0.00 C ATOM 977 CD ARG A 420 3.541 -30.859 -2.694 1.00 0.00 C ATOM 978 NE ARG A 420 2.439 -30.486 -3.585 1.00 0.00 N ATOM 979 CZ ARG A 420 1.179 -30.902 -3.463 1.00 0.00 C ATOM 980 NH1 ARG A 420 0.858 -31.804 -2.542 1.00 0.00 N ATOM 981 NH2 ARG A 420 0.247 -30.407 -4.264 1.00 0.00 N ATOM 0 H ARG A 420 6.229 -27.199 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 420 7.065 -29.060 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 420 4.738 -30.203 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 420 5.870 -31.253 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 420 5.448 -30.118 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 420 4.440 -28.924 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 420 3.820 -31.897 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 420 3.208 -30.796 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 420 2.653 -29.858 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 420 1.577 -32.181 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 420 -0.108 -32.120 -2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 420 0.496 -29.712 -4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 420 -0.720 -30.721 -4.177 1.00 0.00 H new ATOM 995 N CYS A 421 8.463 -28.906 -5.956 1.00 0.00 N ATOM 996 CA CYS A 421 9.588 -29.272 -6.782 1.00 0.00 C ATOM 997 C CYS A 421 10.890 -29.335 -5.953 1.00 0.00 C ATOM 998 O CYS A 421 10.972 -28.730 -4.886 1.00 0.00 O ATOM 999 CB CYS A 421 9.706 -28.265 -7.901 1.00 0.00 C ATOM 1000 SG CYS A 421 9.657 -26.544 -7.300 1.00 0.00 S ATOM 0 H CYS A 421 8.318 -27.900 -5.874 1.00 0.00 H new ATOM 0 HA CYS A 421 9.428 -30.267 -7.198 1.00 0.00 H new ATOM 0 HB2 CYS A 421 10.639 -28.432 -8.439 1.00 0.00 H new ATOM 0 HB3 CYS A 421 8.895 -28.421 -8.613 1.00 0.00 H new ATOM 0 HG CYS A 421 10.843 -26.020 -7.388 1.00 0.00 H new ATOM 1005 N GLU A 422 11.873 -29.995 -6.518 1.00 0.00 N ATOM 1006 CA GLU A 422 13.192 -30.353 -5.944 1.00 0.00 C ATOM 1007 C GLU A 422 13.806 -29.367 -4.935 1.00 0.00 C ATOM 1008 O GLU A 422 14.103 -28.213 -5.256 1.00 0.00 O ATOM 1009 CB GLU A 422 14.242 -30.577 -7.059 1.00 0.00 C ATOM 1010 CG GLU A 422 13.855 -31.559 -8.161 1.00 0.00 C ATOM 1011 CD GLU A 422 12.853 -30.978 -9.132 1.00 0.00 C ATOM 1012 OE1 GLU A 422 13.260 -30.301 -10.088 1.00 0.00 O ATOM 1013 OE2 GLU A 422 11.637 -31.142 -8.919 1.00 0.00 O ATOM 0 H GLU A 422 11.784 -30.335 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 422 12.961 -31.261 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 422 14.463 -29.614 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 422 15.164 -30.928 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.750 -31.860 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 422 13.438 -32.460 -7.710 1.00 0.00 H new ATOM 1020 N ILE A 423 14.027 -29.873 -3.741 1.00 0.00 N ATOM 1021 CA ILE A 423 14.786 -29.199 -2.704 1.00 0.00 C ATOM 1022 C ILE A 423 16.004 -30.061 -2.446 1.00 0.00 C ATOM 1023 O ILE A 423 15.862 -31.256 -2.201 1.00 0.00 O ATOM 1024 CB ILE A 423 14.017 -29.059 -1.342 1.00 0.00 C ATOM 1025 CG1 ILE A 423 12.757 -28.203 -1.481 1.00 0.00 C ATOM 1026 CG2 ILE A 423 14.938 -28.471 -0.258 1.00 0.00 C ATOM 1027 CD1 ILE A 423 11.985 -28.037 -0.181 1.00 0.00 C ATOM 0 H ILE A 423 13.676 -30.787 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 423 15.009 -28.189 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 423 13.707 -30.060 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 423 13.037 -27.218 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 423 12.103 -28.654 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 423 14.387 -28.382 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 423 15.795 -29.128 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 423 15.285 -27.486 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 423 11.105 -27.419 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 423 11.674 -29.015 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 423 12.622 -27.558 0.562 1.00 0.00 H new ATOM 1039 N LYS A 424 17.179 -29.507 -2.590 1.00 0.00 N ATOM 1040 CA LYS A 424 18.404 -30.229 -2.277 1.00 0.00 C ATOM 1041 C LYS A 424 19.338 -29.352 -1.483 1.00 0.00 C ATOM 1042 O LYS A 424 19.932 -29.792 -0.498 1.00 0.00 O ATOM 1043 CB LYS A 424 19.086 -30.791 -3.544 1.00 0.00 C ATOM 1044 CG LYS A 424 18.300 -31.915 -4.227 1.00 0.00 C ATOM 1045 CD LYS A 424 18.203 -33.152 -3.325 1.00 0.00 C ATOM 1046 CE LYS A 424 17.272 -34.212 -3.895 1.00 0.00 C ATOM 1047 NZ LYS A 424 15.884 -33.707 -4.047 1.00 0.00 N ATOM 0 H LYS A 424 17.324 -28.554 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 424 18.139 -31.090 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 424 19.232 -29.979 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 424 20.075 -31.163 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 424 17.299 -31.563 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 424 18.785 -32.183 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 424 19.197 -33.579 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 424 17.848 -32.853 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 424 17.647 -34.541 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 424 17.271 -35.084 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 15.212 -34.451 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 15.749 -32.875 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 15.718 -33.441 -5.039 1.00 0.00 H new ATOM 1061 N GLY A 425 19.433 -28.112 -1.875 1.00 0.00 N ATOM 1062 CA GLY A 425 20.266 -27.178 -1.179 1.00 0.00 C ATOM 1063 C GLY A 425 19.568 -25.861 -1.059 1.00 0.00 C ATOM 1064 O GLY A 425 18.502 -25.672 -1.656 1.00 0.00 O ATOM 0 H GLY A 425 18.939 -27.725 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 425 20.508 -27.562 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 425 21.209 -27.052 -1.711 1.00 0.00 H new ATOM 1068 N THR A 426 20.123 -24.960 -0.311 1.00 0.00 N ATOM 1069 CA THR A 426 19.549 -23.656 -0.153 1.00 0.00 C ATOM 1070 C THR A 426 20.621 -22.601 -0.346 1.00 0.00 C ATOM 1071 O THR A 426 21.778 -22.791 0.052 1.00 0.00 O ATOM 1072 CB THR A 426 18.841 -23.474 1.231 1.00 0.00 C ATOM 1073 OG1 THR A 426 19.727 -23.797 2.312 1.00 0.00 O ATOM 1074 CG2 THR A 426 17.586 -24.335 1.331 1.00 0.00 C ATOM 0 H THR A 426 20.988 -25.106 0.209 1.00 0.00 H new ATOM 0 HA THR A 426 18.778 -23.541 -0.915 1.00 0.00 H new ATOM 0 HB THR A 426 18.555 -22.425 1.306 1.00 0.00 H new ATOM 0 HG1 THR A 426 19.261 -23.673 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 426 17.118 -24.185 2.304 1.00 0.00 H new ATOM 0 HG22 THR A 426 16.886 -24.051 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 426 17.855 -25.385 1.216 1.00 0.00 H new ATOM 1082 N GLU A 427 20.268 -21.541 -0.999 1.00 0.00 N ATOM 1083 CA GLU A 427 21.156 -20.451 -1.225 1.00 0.00 C ATOM 1084 C GLU A 427 20.501 -19.205 -0.639 1.00 0.00 C ATOM 1085 O GLU A 427 19.334 -18.951 -0.888 1.00 0.00 O ATOM 1086 CB GLU A 427 21.412 -20.327 -2.740 1.00 0.00 C ATOM 1087 CG GLU A 427 22.355 -19.213 -3.164 1.00 0.00 C ATOM 1088 CD GLU A 427 22.682 -19.281 -4.641 1.00 0.00 C ATOM 1089 OE1 GLU A 427 21.890 -18.795 -5.473 1.00 0.00 O ATOM 1090 OE2 GLU A 427 23.740 -19.833 -4.999 1.00 0.00 O ATOM 0 H GLU A 427 19.338 -21.408 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 427 22.124 -20.595 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 427 21.814 -21.274 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 427 20.455 -20.177 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 427 21.902 -18.248 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 427 23.276 -19.277 -2.585 1.00 0.00 H new ATOM 1097 N PRO A 428 21.206 -18.463 0.198 1.00 0.00 N ATOM 1098 CA PRO A 428 20.666 -17.255 0.820 1.00 0.00 C ATOM 1099 C PRO A 428 20.473 -16.126 -0.184 1.00 0.00 C ATOM 1100 O PRO A 428 21.396 -15.761 -0.909 1.00 0.00 O ATOM 1101 CB PRO A 428 21.731 -16.869 1.854 1.00 0.00 C ATOM 1102 CG PRO A 428 22.988 -17.509 1.368 1.00 0.00 C ATOM 1103 CD PRO A 428 22.570 -18.760 0.659 1.00 0.00 C ATOM 0 HA PRO A 428 19.681 -17.430 1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 428 21.840 -15.787 1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 428 21.464 -17.227 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 428 23.530 -16.843 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 428 23.656 -17.737 2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 428 23.234 -18.988 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 428 22.588 -19.622 1.325 1.00 0.00 H new