USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD NoAdj-H: A 444 HIS HE2 : A 444 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD Set 1.1: A 390 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 415 MET CE :methyl 152:sc= -0.19 (180deg=-0.733) USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 395 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0363) USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 CYS SG : rot 180:sc= 0 USER MOD Single : A 400 CYS SG : rot 180:sc= -0.677 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 CYS SG : rot 180:sc= 0 USER MOD Single : A 408 HIS : no HD1:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 409 THR OG1 : rot 180:sc=-0.00966 USER MOD Single : A 412 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.13) USER MOD Single : A 413 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.16) USER MOD Single : A 414 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.24) USER MOD Single : A 416 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 CYS SG : rot 180:sc=3.71e-05 USER MOD Single : A 421 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 THR OG1 : rot 92:sc= 0.0408 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.014) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 180:sc=-0.00371 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 20.425 -6.798 -9.850 1.00 0.00 N ATOM 2 CA SER A 390 18.972 -6.544 -9.673 1.00 0.00 C ATOM 3 C SER A 390 18.394 -7.408 -8.554 1.00 0.00 C ATOM 4 O SER A 390 17.828 -8.472 -8.810 1.00 0.00 O ATOM 5 CB SER A 390 18.259 -6.842 -10.993 1.00 0.00 C ATOM 6 OG SER A 390 18.080 -5.661 -11.755 1.00 0.00 O ATOM 0 HA SER A 390 18.823 -5.501 -9.394 1.00 0.00 H new ATOM 0 HB2 SER A 390 18.838 -7.565 -11.568 1.00 0.00 H new ATOM 0 HB3 SER A 390 17.290 -7.299 -10.791 1.00 0.00 H new ATOM 0 HG SER A 390 17.624 -5.879 -12.594 1.00 0.00 H new ATOM 14 N PRO A 391 18.527 -6.961 -7.294 1.00 0.00 N ATOM 15 CA PRO A 391 18.016 -7.699 -6.135 1.00 0.00 C ATOM 16 C PRO A 391 16.542 -8.061 -6.287 1.00 0.00 C ATOM 17 O PRO A 391 15.660 -7.293 -5.898 1.00 0.00 O ATOM 18 CB PRO A 391 18.209 -6.722 -4.975 1.00 0.00 C ATOM 19 CG PRO A 391 19.321 -5.832 -5.409 1.00 0.00 C ATOM 20 CD PRO A 391 19.188 -5.702 -6.901 1.00 0.00 C ATOM 0 HA PRO A 391 18.532 -8.649 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 391 17.300 -6.153 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 391 18.459 -7.247 -4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 391 19.253 -4.858 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 391 20.288 -6.256 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 391 18.593 -4.832 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 391 20.159 -5.590 -7.383 1.00 0.00 H new ATOM 28 N LEU A 392 16.280 -9.234 -6.853 1.00 0.00 N ATOM 29 CA LEU A 392 14.913 -9.698 -7.055 1.00 0.00 C ATOM 30 C LEU A 392 14.676 -11.024 -6.337 1.00 0.00 C ATOM 31 O LEU A 392 15.620 -11.673 -5.885 1.00 0.00 O ATOM 32 CB LEU A 392 14.622 -9.854 -8.550 1.00 0.00 C ATOM 33 CG LEU A 392 14.006 -8.625 -9.220 1.00 0.00 C ATOM 34 CD1 LEU A 392 14.261 -8.649 -10.718 1.00 0.00 C ATOM 35 CD2 LEU A 392 12.513 -8.555 -8.932 1.00 0.00 C ATOM 0 H LEU A 392 16.997 -9.881 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 392 14.237 -8.953 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 392 15.552 -10.100 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 392 13.949 -10.700 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 392 14.479 -7.734 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 392 13.815 -7.767 -11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 392 15.335 -8.652 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 392 13.816 -9.546 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 392 12.090 -7.675 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 392 12.026 -9.450 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 392 12.353 -8.490 -7.856 1.00 0.00 H new ATOM 47 N SER A 393 13.411 -11.419 -6.238 1.00 0.00 N ATOM 48 CA SER A 393 13.050 -12.667 -5.575 1.00 0.00 C ATOM 49 C SER A 393 13.703 -13.859 -6.268 1.00 0.00 C ATOM 50 O SER A 393 14.505 -13.693 -7.187 1.00 0.00 O ATOM 51 CB SER A 393 11.530 -12.840 -5.562 1.00 0.00 C ATOM 52 OG SER A 393 11.016 -12.945 -6.879 1.00 0.00 O ATOM 0 H SER A 393 12.619 -10.893 -6.608 1.00 0.00 H new ATOM 0 HA SER A 393 13.413 -12.623 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 393 11.268 -13.732 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 393 11.069 -11.992 -5.055 1.00 0.00 H new ATOM 0 HG SER A 393 10.043 -13.057 -6.843 1.00 0.00 H new ATOM 58 N ILE A 394 13.353 -15.061 -5.820 1.00 0.00 N ATOM 59 CA ILE A 394 13.905 -16.280 -6.397 1.00 0.00 C ATOM 60 C ILE A 394 12.935 -16.903 -7.396 1.00 0.00 C ATOM 61 O ILE A 394 12.883 -18.123 -7.548 1.00 0.00 O ATOM 62 CB ILE A 394 14.237 -17.317 -5.306 1.00 0.00 C ATOM 63 CG1 ILE A 394 12.998 -17.615 -4.459 1.00 0.00 C ATOM 64 CG2 ILE A 394 15.377 -16.819 -4.432 1.00 0.00 C ATOM 65 CD1 ILE A 394 12.839 -19.080 -4.116 1.00 0.00 C ATOM 0 H ILE A 394 12.690 -15.216 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 394 14.823 -15.999 -6.913 1.00 0.00 H new ATOM 0 HB ILE A 394 14.553 -18.242 -5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 394 13.051 -17.038 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 394 12.111 -17.277 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 394 15.600 -17.562 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 394 16.262 -16.655 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 394 15.088 -15.882 -3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 394 11.940 -19.217 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 394 12.754 -19.661 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 394 13.708 -19.418 -3.552 1.00 0.00 H new ATOM 77 N LYS A 395 12.169 -16.055 -8.075 1.00 0.00 N ATOM 78 CA LYS A 395 11.201 -16.522 -9.060 1.00 0.00 C ATOM 79 C LYS A 395 10.947 -15.456 -10.122 1.00 0.00 C ATOM 80 O LYS A 395 10.372 -14.406 -9.836 1.00 0.00 O ATOM 81 CB LYS A 395 9.886 -16.900 -8.375 1.00 0.00 C ATOM 82 CG LYS A 395 9.037 -17.869 -9.181 1.00 0.00 C ATOM 83 CD LYS A 395 9.233 -19.303 -8.714 1.00 0.00 C ATOM 84 CE LYS A 395 8.385 -20.272 -9.520 1.00 0.00 C ATOM 85 NZ LYS A 395 6.935 -20.135 -9.207 1.00 0.00 N ATOM 0 H LYS A 395 12.200 -15.042 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 395 11.615 -17.404 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.106 -17.344 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 395 9.310 -15.994 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 395 7.986 -17.596 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.296 -17.790 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 395 10.284 -19.576 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 395 8.973 -19.382 -7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 395 8.545 -20.096 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 395 8.706 -21.293 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 6.400 -20.869 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 6.789 -20.244 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 6.603 -19.196 -9.506 1.00 0.00 H new ATOM 99 N LYS A 396 11.378 -15.735 -11.348 1.00 0.00 N ATOM 100 CA LYS A 396 11.196 -14.802 -12.453 1.00 0.00 C ATOM 101 C LYS A 396 10.050 -15.248 -13.356 1.00 0.00 C ATOM 102 O LYS A 396 9.961 -16.418 -13.728 1.00 0.00 O ATOM 103 CB LYS A 396 12.486 -14.683 -13.266 1.00 0.00 C ATOM 104 CG LYS A 396 13.420 -13.591 -12.768 1.00 0.00 C ATOM 105 CD LYS A 396 13.357 -12.356 -13.652 1.00 0.00 C ATOM 106 CE LYS A 396 14.484 -12.343 -14.672 1.00 0.00 C ATOM 107 NZ LYS A 396 14.888 -10.958 -15.037 1.00 0.00 N ATOM 0 H LYS A 396 11.856 -16.600 -11.601 1.00 0.00 H new ATOM 0 HA LYS A 396 10.948 -13.826 -12.036 1.00 0.00 H new ATOM 0 HB2 LYS A 396 13.011 -15.638 -13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 396 12.232 -14.486 -14.308 1.00 0.00 H new ATOM 0 HG2 LYS A 396 13.154 -13.322 -11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 396 14.442 -13.969 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 396 12.397 -12.325 -14.168 1.00 0.00 H new ATOM 0 HD3 LYS A 396 13.415 -11.461 -13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 396 15.344 -12.877 -14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 396 14.168 -12.877 -15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 15.659 -10.994 -15.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 14.074 -10.455 -15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 15.214 -10.456 -14.187 1.00 0.00 H new ATOM 121 N CYS A 397 9.176 -14.310 -13.704 1.00 0.00 N ATOM 122 CA CYS A 397 8.036 -14.610 -14.562 1.00 0.00 C ATOM 123 C CYS A 397 8.282 -14.130 -15.987 1.00 0.00 C ATOM 124 O CYS A 397 8.711 -12.996 -16.203 1.00 0.00 O ATOM 125 CB CYS A 397 6.767 -13.962 -14.005 1.00 0.00 C ATOM 126 SG CYS A 397 5.836 -15.019 -12.870 1.00 0.00 S ATOM 0 H CYS A 397 9.235 -13.336 -13.405 1.00 0.00 H new ATOM 0 HA CYS A 397 7.906 -15.692 -14.582 1.00 0.00 H new ATOM 0 HB2 CYS A 397 7.039 -13.042 -13.488 1.00 0.00 H new ATOM 0 HB3 CYS A 397 6.120 -13.681 -14.836 1.00 0.00 H new ATOM 0 HG CYS A 397 4.782 -14.383 -12.451 1.00 0.00 H new ATOM 132 N PRO A 398 8.009 -14.989 -16.987 1.00 0.00 N ATOM 133 CA PRO A 398 8.203 -14.636 -18.391 1.00 0.00 C ATOM 134 C PRO A 398 7.207 -13.582 -18.856 1.00 0.00 C ATOM 135 O PRO A 398 6.008 -13.683 -18.593 1.00 0.00 O ATOM 136 CB PRO A 398 7.972 -15.956 -19.130 1.00 0.00 C ATOM 137 CG PRO A 398 7.097 -16.749 -18.225 1.00 0.00 C ATOM 138 CD PRO A 398 7.489 -16.360 -16.826 1.00 0.00 C ATOM 0 HA PRO A 398 9.187 -14.204 -18.572 1.00 0.00 H new ATOM 0 HB2 PRO A 398 7.495 -15.790 -20.096 1.00 0.00 H new ATOM 0 HB3 PRO A 398 8.913 -16.472 -19.323 1.00 0.00 H new ATOM 0 HG2 PRO A 398 6.045 -16.532 -18.410 1.00 0.00 H new ATOM 0 HG3 PRO A 398 7.235 -17.818 -18.386 1.00 0.00 H new ATOM 0 HD2 PRO A 398 6.637 -16.390 -16.147 1.00 0.00 H new ATOM 0 HD3 PRO A 398 8.245 -17.032 -16.419 1.00 0.00 H new ATOM 146 N ILE A 399 7.713 -12.574 -19.549 1.00 0.00 N ATOM 147 CA ILE A 399 6.876 -11.493 -20.057 1.00 0.00 C ATOM 148 C ILE A 399 6.209 -11.887 -21.372 1.00 0.00 C ATOM 149 O ILE A 399 6.363 -11.209 -22.389 1.00 0.00 O ATOM 150 CB ILE A 399 7.691 -10.201 -20.268 1.00 0.00 C ATOM 151 CG1 ILE A 399 8.836 -10.447 -21.255 1.00 0.00 C ATOM 152 CG2 ILE A 399 8.226 -9.690 -18.939 1.00 0.00 C ATOM 153 CD1 ILE A 399 8.674 -9.705 -22.564 1.00 0.00 C ATOM 0 H ILE A 399 8.703 -12.480 -19.774 1.00 0.00 H new ATOM 0 HA ILE A 399 6.108 -11.307 -19.306 1.00 0.00 H new ATOM 0 HB ILE A 399 7.035 -9.439 -20.689 1.00 0.00 H new ATOM 0 HG12 ILE A 399 9.776 -10.148 -20.791 1.00 0.00 H new ATOM 0 HG13 ILE A 399 8.907 -11.516 -21.458 1.00 0.00 H new ATOM 0 HG21 ILE A 399 8.799 -8.778 -19.104 1.00 0.00 H new ATOM 0 HG22 ILE A 399 7.393 -9.479 -18.268 1.00 0.00 H new ATOM 0 HG23 ILE A 399 8.870 -10.447 -18.491 1.00 0.00 H new ATOM 0 HD11 ILE A 399 9.520 -9.926 -23.214 1.00 0.00 H new ATOM 0 HD12 ILE A 399 7.751 -10.021 -23.050 1.00 0.00 H new ATOM 0 HD13 ILE A 399 8.634 -8.633 -22.372 1.00 0.00 H new ATOM 165 N CYS A 400 5.466 -12.988 -21.345 1.00 0.00 N ATOM 166 CA CYS A 400 4.775 -13.474 -22.533 1.00 0.00 C ATOM 167 C CYS A 400 3.413 -12.804 -22.682 1.00 0.00 C ATOM 168 O CYS A 400 2.539 -12.954 -21.827 1.00 0.00 O ATOM 169 CB CYS A 400 4.604 -14.992 -22.464 1.00 0.00 C ATOM 170 SG CYS A 400 3.971 -15.734 -23.986 1.00 0.00 S ATOM 0 H CYS A 400 5.327 -13.561 -20.513 1.00 0.00 H new ATOM 0 HA CYS A 400 5.381 -13.223 -23.403 1.00 0.00 H new ATOM 0 HB2 CYS A 400 5.566 -15.445 -22.225 1.00 0.00 H new ATOM 0 HB3 CYS A 400 3.926 -15.234 -21.645 1.00 0.00 H new ATOM 0 HG CYS A 400 3.863 -17.020 -23.830 1.00 0.00 H new ATOM 176 N LYS A 401 3.239 -12.064 -23.772 1.00 0.00 N ATOM 177 CA LYS A 401 1.982 -11.371 -24.033 1.00 0.00 C ATOM 178 C LYS A 401 0.833 -12.364 -24.179 1.00 0.00 C ATOM 179 O LYS A 401 -0.309 -12.060 -23.836 1.00 0.00 O ATOM 180 CB LYS A 401 2.099 -10.521 -25.300 1.00 0.00 C ATOM 181 CG LYS A 401 1.223 -9.279 -25.283 1.00 0.00 C ATOM 182 CD LYS A 401 1.832 -8.157 -26.110 1.00 0.00 C ATOM 183 CE LYS A 401 1.198 -8.072 -27.490 1.00 0.00 C ATOM 184 NZ LYS A 401 2.221 -7.957 -28.565 1.00 0.00 N ATOM 0 H LYS A 401 3.952 -11.929 -24.489 1.00 0.00 H new ATOM 0 HA LYS A 401 1.771 -10.721 -23.184 1.00 0.00 H new ATOM 0 HB2 LYS A 401 3.139 -10.220 -25.431 1.00 0.00 H new ATOM 0 HB3 LYS A 401 1.833 -11.131 -26.163 1.00 0.00 H new ATOM 0 HG2 LYS A 401 0.235 -9.524 -25.672 1.00 0.00 H new ATOM 0 HG3 LYS A 401 1.087 -8.942 -24.255 1.00 0.00 H new ATOM 0 HD2 LYS A 401 1.701 -7.208 -25.590 1.00 0.00 H new ATOM 0 HD3 LYS A 401 2.905 -8.320 -26.211 1.00 0.00 H new ATOM 0 HE2 LYS A 401 0.587 -8.958 -27.664 1.00 0.00 H new ATOM 0 HE3 LYS A 401 0.531 -7.211 -27.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 1.748 -7.902 -29.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 2.788 -7.098 -28.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 2.842 -8.791 -28.543 1.00 0.00 H new ATOM 198 N ALA A 402 1.144 -13.552 -24.688 1.00 0.00 N ATOM 199 CA ALA A 402 0.139 -14.590 -24.877 1.00 0.00 C ATOM 200 C ALA A 402 -0.386 -15.101 -23.538 1.00 0.00 C ATOM 201 O ALA A 402 -1.523 -15.562 -23.443 1.00 0.00 O ATOM 202 CB ALA A 402 0.715 -15.738 -25.692 1.00 0.00 C ATOM 0 H ALA A 402 2.085 -13.819 -24.977 1.00 0.00 H new ATOM 0 HA ALA A 402 -0.698 -14.154 -25.422 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -0.046 -16.507 -25.826 1.00 0.00 H new ATOM 0 HB2 ALA A 402 1.033 -15.368 -26.667 1.00 0.00 H new ATOM 0 HB3 ALA A 402 1.571 -16.163 -25.168 1.00 0.00 H new ATOM 208 N ASP A 403 0.450 -15.015 -22.508 1.00 0.00 N ATOM 209 CA ASP A 403 0.068 -15.471 -21.175 1.00 0.00 C ATOM 210 C ASP A 403 -0.687 -14.384 -20.408 1.00 0.00 C ATOM 211 O ASP A 403 -1.016 -14.561 -19.235 1.00 0.00 O ATOM 212 CB ASP A 403 1.309 -15.896 -20.388 1.00 0.00 C ATOM 213 CG ASP A 403 1.003 -16.973 -19.366 1.00 0.00 C ATOM 214 OD1 ASP A 403 -0.148 -17.025 -18.883 1.00 0.00 O ATOM 215 OD2 ASP A 403 1.915 -17.766 -19.049 1.00 0.00 O ATOM 0 H ASP A 403 1.394 -14.635 -22.570 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.597 -16.326 -21.293 1.00 0.00 H new ATOM 0 HB2 ASP A 403 2.068 -16.261 -21.080 1.00 0.00 H new ATOM 0 HB3 ASP A 403 1.730 -15.027 -19.882 1.00 0.00 H new ATOM 220 N ASP A 404 -0.958 -13.262 -21.070 1.00 0.00 N ATOM 221 CA ASP A 404 -1.673 -12.158 -20.441 1.00 0.00 C ATOM 222 C ASP A 404 -2.993 -11.887 -21.158 1.00 0.00 C ATOM 223 O ASP A 404 -3.353 -12.590 -22.102 1.00 0.00 O ATOM 224 CB ASP A 404 -0.806 -10.896 -20.439 1.00 0.00 C ATOM 225 CG ASP A 404 -0.642 -10.310 -19.051 1.00 0.00 C ATOM 226 OD1 ASP A 404 -1.662 -9.914 -18.449 1.00 0.00 O ATOM 227 OD2 ASP A 404 0.508 -10.247 -18.566 1.00 0.00 O ATOM 0 H ASP A 404 -0.693 -13.095 -22.041 1.00 0.00 H new ATOM 0 HA ASP A 404 -1.893 -12.438 -19.411 1.00 0.00 H new ATOM 0 HB2 ASP A 404 0.176 -11.132 -20.849 1.00 0.00 H new ATOM 0 HB3 ASP A 404 -1.254 -10.150 -21.095 1.00 0.00 H new ATOM 232 N ILE A 405 -3.709 -10.863 -20.705 1.00 0.00 N ATOM 233 CA ILE A 405 -4.987 -10.501 -21.305 1.00 0.00 C ATOM 234 C ILE A 405 -4.785 -9.766 -22.625 1.00 0.00 C ATOM 235 O ILE A 405 -5.187 -10.250 -23.684 1.00 0.00 O ATOM 236 CB ILE A 405 -5.821 -9.614 -20.359 1.00 0.00 C ATOM 237 CG1 ILE A 405 -5.866 -10.226 -18.957 1.00 0.00 C ATOM 238 CG2 ILE A 405 -7.228 -9.431 -20.910 1.00 0.00 C ATOM 239 CD1 ILE A 405 -4.908 -9.575 -17.984 1.00 0.00 C ATOM 0 H ILE A 405 -3.426 -10.270 -19.925 1.00 0.00 H new ATOM 0 HA ILE A 405 -5.525 -11.431 -21.488 1.00 0.00 H new ATOM 0 HB ILE A 405 -5.348 -8.634 -20.291 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -6.880 -10.144 -18.566 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -5.635 -11.289 -19.026 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -7.805 -8.803 -20.232 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -7.176 -8.956 -21.890 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -7.711 -10.403 -21.004 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -4.993 -10.059 -17.011 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -3.888 -9.680 -18.353 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -5.152 -8.517 -17.886 1.00 0.00 H new ATOM 251 N CYS A 406 -4.161 -8.595 -22.556 1.00 0.00 N ATOM 252 CA CYS A 406 -3.905 -7.793 -23.747 1.00 0.00 C ATOM 253 C CYS A 406 -3.082 -6.556 -23.403 1.00 0.00 C ATOM 254 O CYS A 406 -2.175 -6.176 -24.144 1.00 0.00 O ATOM 255 CB CYS A 406 -5.225 -7.377 -24.400 1.00 0.00 C ATOM 256 SG CYS A 406 -5.047 -6.749 -26.086 1.00 0.00 S ATOM 0 H CYS A 406 -3.823 -8.180 -21.688 1.00 0.00 H new ATOM 0 HA CYS A 406 -3.336 -8.402 -24.450 1.00 0.00 H new ATOM 0 HB2 CYS A 406 -5.898 -8.234 -24.412 1.00 0.00 H new ATOM 0 HB3 CYS A 406 -5.696 -6.610 -23.786 1.00 0.00 H new ATOM 0 HG CYS A 406 -6.216 -6.425 -26.554 1.00 0.00 H new ATOM 262 N ASP A 407 -3.405 -5.931 -22.275 1.00 0.00 N ATOM 263 CA ASP A 407 -2.695 -4.736 -21.834 1.00 0.00 C ATOM 264 C ASP A 407 -1.550 -5.101 -20.895 1.00 0.00 C ATOM 265 O ASP A 407 -1.758 -5.324 -19.702 1.00 0.00 O ATOM 266 CB ASP A 407 -3.658 -3.775 -21.134 1.00 0.00 C ATOM 267 CG ASP A 407 -4.374 -4.423 -19.965 1.00 0.00 C ATOM 268 OD1 ASP A 407 -5.376 -5.130 -20.201 1.00 0.00 O ATOM 269 OD2 ASP A 407 -3.932 -4.224 -18.814 1.00 0.00 O ATOM 0 H ASP A 407 -4.153 -6.232 -21.650 1.00 0.00 H new ATOM 0 HA ASP A 407 -2.278 -4.245 -22.713 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -3.105 -2.905 -20.781 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -4.394 -3.415 -21.853 1.00 0.00 H new ATOM 274 N HIS A 408 -0.340 -5.159 -21.441 1.00 0.00 N ATOM 275 CA HIS A 408 0.840 -5.498 -20.653 1.00 0.00 C ATOM 276 C HIS A 408 1.350 -4.280 -19.887 1.00 0.00 C ATOM 277 O HIS A 408 1.826 -4.399 -18.758 1.00 0.00 O ATOM 278 CB HIS A 408 1.944 -6.048 -21.558 1.00 0.00 C ATOM 279 CG HIS A 408 2.566 -7.309 -21.044 1.00 0.00 C ATOM 280 ND1 HIS A 408 2.636 -8.470 -21.785 1.00 0.00 N ATOM 281 CD2 HIS A 408 3.147 -7.589 -19.853 1.00 0.00 C ATOM 282 CE1 HIS A 408 3.234 -9.409 -21.072 1.00 0.00 C ATOM 283 NE2 HIS A 408 3.555 -8.901 -19.898 1.00 0.00 N ATOM 0 H HIS A 408 -0.150 -4.976 -22.426 1.00 0.00 H new ATOM 0 HA HIS A 408 0.558 -6.265 -19.932 1.00 0.00 H new ATOM 0 HB2 HIS A 408 1.531 -6.234 -22.549 1.00 0.00 H new ATOM 0 HB3 HIS A 408 2.719 -5.291 -21.673 1.00 0.00 H new ATOM 0 HD2 HIS A 408 3.267 -6.909 -19.023 1.00 0.00 H new ATOM 0 HE1 HIS A 408 3.427 -10.421 -21.396 1.00 0.00 H new ATOM 0 HE2 HIS A 408 4.029 -9.401 -19.146 1.00 0.00 H new ATOM 292 N THR A 409 1.245 -3.110 -20.509 1.00 0.00 N ATOM 293 CA THR A 409 1.695 -1.869 -19.888 1.00 0.00 C ATOM 294 C THR A 409 3.200 -1.899 -19.637 1.00 0.00 C ATOM 295 O THR A 409 3.705 -2.780 -18.940 1.00 0.00 O ATOM 296 CB THR A 409 0.952 -1.633 -18.571 1.00 0.00 C ATOM 297 OG1 THR A 409 -0.387 -2.084 -18.665 1.00 0.00 O ATOM 298 CG2 THR A 409 0.920 -0.178 -18.156 1.00 0.00 C ATOM 0 H THR A 409 0.852 -2.995 -21.443 1.00 0.00 H new ATOM 0 HA THR A 409 1.475 -1.050 -20.573 1.00 0.00 H new ATOM 0 HB THR A 409 1.506 -2.196 -17.820 1.00 0.00 H new ATOM 0 HG1 THR A 409 -0.846 -1.927 -17.813 1.00 0.00 H new ATOM 0 HG21 THR A 409 0.379 -0.080 -17.215 1.00 0.00 H new ATOM 0 HG22 THR A 409 1.939 0.186 -18.028 1.00 0.00 H new ATOM 0 HG23 THR A 409 0.419 0.409 -18.926 1.00 0.00 H new ATOM 306 N LEU A 410 3.909 -0.933 -20.210 1.00 0.00 N ATOM 307 CA LEU A 410 5.356 -0.848 -20.048 1.00 0.00 C ATOM 308 C LEU A 410 5.729 -0.659 -18.580 1.00 0.00 C ATOM 309 O LEU A 410 6.783 -1.108 -18.133 1.00 0.00 O ATOM 310 CB LEU A 410 5.918 0.303 -20.887 1.00 0.00 C ATOM 311 CG LEU A 410 6.772 -0.124 -22.082 1.00 0.00 C ATOM 312 CD1 LEU A 410 5.900 -0.343 -23.309 1.00 0.00 C ATOM 313 CD2 LEU A 410 7.845 0.915 -22.367 1.00 0.00 C ATOM 0 H LEU A 410 3.506 -0.198 -20.791 1.00 0.00 H new ATOM 0 HA LEU A 410 5.792 -1.785 -20.395 1.00 0.00 H new ATOM 0 HB2 LEU A 410 5.087 0.907 -21.251 1.00 0.00 H new ATOM 0 HB3 LEU A 410 6.518 0.944 -20.241 1.00 0.00 H new ATOM 0 HG LEU A 410 7.262 -1.066 -21.837 1.00 0.00 H new ATOM 0 HD11 LEU A 410 6.524 -0.646 -24.150 1.00 0.00 H new ATOM 0 HD12 LEU A 410 5.168 -1.123 -23.101 1.00 0.00 H new ATOM 0 HD13 LEU A 410 5.382 0.583 -23.557 1.00 0.00 H new ATOM 0 HD21 LEU A 410 8.443 0.595 -23.220 1.00 0.00 H new ATOM 0 HD22 LEU A 410 7.374 1.872 -22.592 1.00 0.00 H new ATOM 0 HD23 LEU A 410 8.488 1.023 -21.493 1.00 0.00 H new ATOM 325 N GLU A 411 4.854 0.011 -17.835 1.00 0.00 N ATOM 326 CA GLU A 411 5.091 0.260 -16.417 1.00 0.00 C ATOM 327 C GLU A 411 5.246 -1.050 -15.651 1.00 0.00 C ATOM 328 O GLU A 411 6.057 -1.151 -14.733 1.00 0.00 O ATOM 329 CB GLU A 411 3.942 1.078 -15.824 1.00 0.00 C ATOM 330 CG GLU A 411 4.144 2.581 -15.937 1.00 0.00 C ATOM 331 CD GLU A 411 3.966 3.295 -14.611 1.00 0.00 C ATOM 332 OE1 GLU A 411 4.638 2.908 -13.632 1.00 0.00 O ATOM 333 OE2 GLU A 411 3.153 4.242 -14.551 1.00 0.00 O ATOM 0 H GLU A 411 3.976 0.390 -18.189 1.00 0.00 H new ATOM 0 HA GLU A 411 6.018 0.825 -16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 411 3.015 0.805 -16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 411 3.823 0.814 -14.773 1.00 0.00 H new ATOM 0 HG2 GLU A 411 5.144 2.781 -16.322 1.00 0.00 H new ATOM 0 HG3 GLU A 411 3.437 2.985 -16.661 1.00 0.00 H new ATOM 340 N GLN A 412 4.460 -2.051 -16.037 1.00 0.00 N ATOM 341 CA GLN A 412 4.509 -3.355 -15.387 1.00 0.00 C ATOM 342 C GLN A 412 5.822 -4.068 -15.696 1.00 0.00 C ATOM 343 O GLN A 412 6.338 -4.824 -14.873 1.00 0.00 O ATOM 344 CB GLN A 412 3.329 -4.217 -15.837 1.00 0.00 C ATOM 345 CG GLN A 412 2.009 -3.826 -15.192 1.00 0.00 C ATOM 346 CD GLN A 412 1.990 -4.085 -13.699 1.00 0.00 C ATOM 347 OE1 GLN A 412 1.691 -3.193 -12.905 1.00 0.00 O ATOM 348 NE2 GLN A 412 2.313 -5.312 -13.307 1.00 0.00 N ATOM 0 H GLN A 412 3.782 -1.983 -16.796 1.00 0.00 H new ATOM 0 HA GLN A 412 4.446 -3.199 -14.310 1.00 0.00 H new ATOM 0 HB2 GLN A 412 3.230 -4.146 -16.920 1.00 0.00 H new ATOM 0 HB3 GLN A 412 3.542 -5.260 -15.605 1.00 0.00 H new ATOM 0 HG2 GLN A 412 1.818 -2.769 -15.376 1.00 0.00 H new ATOM 0 HG3 GLN A 412 1.199 -4.383 -15.664 1.00 0.00 H new ATOM 0 HE21 GLN A 412 2.554 -6.021 -13.999 1.00 0.00 H new ATOM 0 HE22 GLN A 412 2.320 -5.545 -12.314 1.00 0.00 H new ATOM 357 N GLN A 413 6.357 -3.822 -16.887 1.00 0.00 N ATOM 358 CA GLN A 413 7.609 -4.441 -17.305 1.00 0.00 C ATOM 359 C GLN A 413 8.790 -3.847 -16.544 1.00 0.00 C ATOM 360 O GLN A 413 9.758 -4.543 -16.238 1.00 0.00 O ATOM 361 CB GLN A 413 7.815 -4.259 -18.810 1.00 0.00 C ATOM 362 CG GLN A 413 6.582 -4.591 -19.637 1.00 0.00 C ATOM 363 CD GLN A 413 6.877 -4.652 -21.123 1.00 0.00 C ATOM 364 OE1 GLN A 413 7.819 -5.316 -21.554 1.00 0.00 O ATOM 365 NE2 GLN A 413 6.068 -3.956 -21.914 1.00 0.00 N ATOM 0 H GLN A 413 5.943 -3.198 -17.580 1.00 0.00 H new ATOM 0 HA GLN A 413 7.552 -5.506 -17.079 1.00 0.00 H new ATOM 0 HB2 GLN A 413 8.107 -3.227 -19.006 1.00 0.00 H new ATOM 0 HB3 GLN A 413 8.641 -4.892 -19.134 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.177 -5.549 -19.311 1.00 0.00 H new ATOM 0 HG3 GLN A 413 5.813 -3.841 -19.453 1.00 0.00 H new ATOM 0 HE21 GLN A 413 5.299 -3.420 -21.512 1.00 0.00 H new ATOM 0 HE22 GLN A 413 6.216 -3.958 -22.923 1.00 0.00 H new ATOM 374 N GLN A 414 8.704 -2.556 -16.241 1.00 0.00 N ATOM 375 CA GLN A 414 9.765 -1.869 -15.515 1.00 0.00 C ATOM 376 C GLN A 414 9.888 -2.408 -14.093 1.00 0.00 C ATOM 377 O GLN A 414 9.098 -3.250 -13.667 1.00 0.00 O ATOM 378 CB GLN A 414 9.496 -0.363 -15.479 1.00 0.00 C ATOM 379 CG GLN A 414 9.395 0.270 -16.857 1.00 0.00 C ATOM 380 CD GLN A 414 8.693 1.613 -16.831 1.00 0.00 C ATOM 381 OE1 GLN A 414 8.759 2.342 -15.842 1.00 0.00 O ATOM 382 NE2 GLN A 414 8.014 1.948 -17.923 1.00 0.00 N ATOM 0 H GLN A 414 7.910 -1.965 -16.487 1.00 0.00 H new ATOM 0 HA GLN A 414 10.704 -2.051 -16.037 1.00 0.00 H new ATOM 0 HB2 GLN A 414 8.569 -0.181 -14.936 1.00 0.00 H new ATOM 0 HB3 GLN A 414 10.294 0.127 -14.921 1.00 0.00 H new ATOM 0 HG2 GLN A 414 10.396 0.395 -17.270 1.00 0.00 H new ATOM 0 HG3 GLN A 414 8.857 -0.404 -17.524 1.00 0.00 H new ATOM 0 HE21 GLN A 414 7.986 1.313 -18.721 1.00 0.00 H new ATOM 0 HE22 GLN A 414 7.521 2.840 -17.963 1.00 0.00 H new ATOM 391 N MET A 415 10.885 -1.917 -13.364 1.00 0.00 N ATOM 392 CA MET A 415 11.112 -2.349 -11.989 1.00 0.00 C ATOM 393 C MET A 415 10.122 -1.682 -11.040 1.00 0.00 C ATOM 394 O MET A 415 9.935 -0.467 -11.077 1.00 0.00 O ATOM 395 CB MET A 415 12.544 -2.026 -11.561 1.00 0.00 C ATOM 396 CG MET A 415 12.894 -2.537 -10.172 1.00 0.00 C ATOM 397 SD MET A 415 13.930 -4.012 -10.213 1.00 0.00 S ATOM 398 CE MET A 415 15.421 -3.358 -10.958 1.00 0.00 C ATOM 0 H MET A 415 11.549 -1.220 -13.702 1.00 0.00 H new ATOM 0 HA MET A 415 10.962 -3.428 -11.943 1.00 0.00 H new ATOM 0 HB2 MET A 415 13.236 -2.458 -12.283 1.00 0.00 H new ATOM 0 HB3 MET A 415 12.688 -0.946 -11.589 1.00 0.00 H new ATOM 0 HG2 MET A 415 13.410 -1.751 -9.620 1.00 0.00 H new ATOM 0 HG3 MET A 415 11.975 -2.758 -9.629 1.00 0.00 H new ATOM 0 HE1 MET A 415 16.281 -3.937 -10.620 1.00 0.00 H new ATOM 0 HE2 MET A 415 15.344 -3.423 -12.043 1.00 0.00 H new ATOM 0 HE3 MET A 415 15.547 -2.316 -10.665 1.00 0.00 H new ATOM 408 N GLN A 416 9.492 -2.486 -10.189 1.00 0.00 N ATOM 409 CA GLN A 416 8.523 -1.971 -9.229 1.00 0.00 C ATOM 410 C GLN A 416 9.208 -1.097 -8.179 1.00 0.00 C ATOM 411 O GLN A 416 10.284 -1.437 -7.688 1.00 0.00 O ATOM 412 CB GLN A 416 7.788 -3.126 -8.546 1.00 0.00 C ATOM 413 CG GLN A 416 7.175 -4.118 -9.519 1.00 0.00 C ATOM 414 CD GLN A 416 7.024 -5.503 -8.922 1.00 0.00 C ATOM 415 OE1 GLN A 416 5.918 -5.933 -8.593 1.00 0.00 O ATOM 416 NE2 GLN A 416 8.139 -6.210 -8.777 1.00 0.00 N ATOM 0 H GLN A 416 9.635 -3.495 -10.145 1.00 0.00 H new ATOM 0 HA GLN A 416 7.802 -1.359 -9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 416 8.484 -3.653 -7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 416 7.001 -2.720 -7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 416 6.197 -3.754 -9.835 1.00 0.00 H new ATOM 0 HG3 GLN A 416 7.797 -4.177 -10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 416 9.035 -5.814 -9.063 1.00 0.00 H new ATOM 0 HE22 GLN A 416 8.100 -7.149 -8.379 1.00 0.00 H new ATOM 425 N PRO A 417 8.595 0.046 -7.818 1.00 0.00 N ATOM 426 CA PRO A 417 9.162 0.961 -6.820 1.00 0.00 C ATOM 427 C PRO A 417 9.327 0.299 -5.457 1.00 0.00 C ATOM 428 O PRO A 417 8.492 -0.505 -5.042 1.00 0.00 O ATOM 429 CB PRO A 417 8.136 2.098 -6.737 1.00 0.00 C ATOM 430 CG PRO A 417 7.336 1.996 -7.990 1.00 0.00 C ATOM 431 CD PRO A 417 7.313 0.538 -8.348 1.00 0.00 C ATOM 0 HA PRO A 417 10.160 1.295 -7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 417 7.503 1.993 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 417 8.628 3.068 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.326 2.377 -7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.784 2.587 -8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 417 6.465 0.025 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 417 7.237 0.388 -9.425 1.00 0.00 H new ATOM 439 N LEU A 418 10.409 0.640 -4.766 1.00 0.00 N ATOM 440 CA LEU A 418 10.686 0.078 -3.451 1.00 0.00 C ATOM 441 C LEU A 418 9.835 0.732 -2.368 1.00 0.00 C ATOM 442 O LEU A 418 9.849 0.308 -1.219 1.00 0.00 O ATOM 443 CB LEU A 418 12.165 0.215 -3.118 1.00 0.00 C ATOM 444 CG LEU A 418 13.042 -0.861 -3.748 1.00 0.00 C ATOM 445 CD1 LEU A 418 13.576 -0.392 -5.089 1.00 0.00 C ATOM 446 CD2 LEU A 418 14.175 -1.245 -2.810 1.00 0.00 C ATOM 0 H LEU A 418 11.109 1.304 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 418 10.425 -0.980 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.513 1.193 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 418 12.288 0.183 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 418 12.434 -1.749 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 418 14.200 -1.172 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 418 12.742 -0.178 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 418 14.170 0.511 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 418 14.790 -2.014 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 418 14.788 -0.368 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 418 13.761 -1.629 -1.877 1.00 0.00 H new ATOM 458 N CYS A 419 9.080 1.753 -2.740 1.00 0.00 N ATOM 459 CA CYS A 419 8.209 2.430 -1.794 1.00 0.00 C ATOM 460 C CYS A 419 6.813 2.523 -2.382 1.00 0.00 C ATOM 461 O CYS A 419 6.639 2.426 -3.596 1.00 0.00 O ATOM 462 CB CYS A 419 8.743 3.822 -1.445 1.00 0.00 C ATOM 463 SG CYS A 419 9.550 4.681 -2.817 1.00 0.00 S ATOM 0 H CYS A 419 9.053 2.130 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 419 8.177 1.854 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 419 7.916 4.435 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.453 3.730 -0.623 1.00 0.00 H new ATOM 0 HG CYS A 419 9.962 5.847 -2.417 1.00 0.00 H new ATOM 469 N PHE A 420 5.817 2.676 -1.526 1.00 0.00 N ATOM 470 CA PHE A 420 4.443 2.740 -1.993 1.00 0.00 C ATOM 471 C PHE A 420 3.654 3.825 -1.281 1.00 0.00 C ATOM 472 O PHE A 420 3.959 4.195 -0.149 1.00 0.00 O ATOM 473 CB PHE A 420 3.779 1.379 -1.799 1.00 0.00 C ATOM 474 CG PHE A 420 4.564 0.258 -2.419 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.382 -0.068 -3.750 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.493 -0.459 -1.677 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.105 -1.087 -4.333 1.00 0.00 C ATOM 478 CE2 PHE A 420 6.223 -1.480 -2.255 1.00 0.00 C ATOM 479 CZ PHE A 420 6.028 -1.795 -3.586 1.00 0.00 C ATOM 0 H PHE A 420 5.931 2.757 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 420 4.453 2.995 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.659 1.187 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.780 1.401 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 420 3.665 0.482 -4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.647 -0.216 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 420 4.950 -1.332 -5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.944 -2.030 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.596 -2.593 -4.042 1.00 0.00 H new ATOM 489 N ASN A 421 2.636 4.330 -1.964 1.00 0.00 N ATOM 490 CA ASN A 421 1.787 5.379 -1.414 1.00 0.00 C ATOM 491 C ASN A 421 0.325 5.136 -1.773 1.00 0.00 C ATOM 492 O ASN A 421 -0.021 4.995 -2.946 1.00 0.00 O ATOM 493 CB ASN A 421 2.231 6.748 -1.933 1.00 0.00 C ATOM 494 CG ASN A 421 1.416 7.884 -1.346 1.00 0.00 C ATOM 495 OD1 ASN A 421 0.923 8.748 -2.071 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.271 7.889 -0.025 1.00 0.00 N ATOM 0 H ASN A 421 2.377 4.029 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 421 1.885 5.361 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.284 6.899 -1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 421 2.144 6.767 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.734 8.629 0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.697 7.153 0.538 1.00 0.00 H new ATOM 503 N CYS A 422 -0.528 5.088 -0.757 1.00 0.00 N ATOM 504 CA CYS A 422 -1.952 4.861 -0.969 1.00 0.00 C ATOM 505 C CYS A 422 -2.688 6.184 -1.181 1.00 0.00 C ATOM 506 O CYS A 422 -2.793 6.992 -0.262 1.00 0.00 O ATOM 507 CB CYS A 422 -2.553 4.123 0.229 1.00 0.00 C ATOM 508 SG CYS A 422 -4.303 3.707 0.042 1.00 0.00 S ATOM 0 H CYS A 422 -0.259 5.203 0.220 1.00 0.00 H new ATOM 0 HA CYS A 422 -2.069 4.250 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.989 3.205 0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.431 4.739 1.120 1.00 0.00 H new ATOM 513 N PRO A 423 -3.214 6.426 -2.397 1.00 0.00 N ATOM 514 CA PRO A 423 -3.943 7.658 -2.710 1.00 0.00 C ATOM 515 C PRO A 423 -5.335 7.683 -2.084 1.00 0.00 C ATOM 516 O PRO A 423 -6.061 8.670 -2.202 1.00 0.00 O ATOM 517 CB PRO A 423 -4.049 7.650 -4.244 1.00 0.00 C ATOM 518 CG PRO A 423 -3.219 6.497 -4.710 1.00 0.00 C ATOM 519 CD PRO A 423 -3.146 5.535 -3.561 1.00 0.00 C ATOM 0 HA PRO A 423 -3.432 8.536 -2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -5.085 7.538 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.685 8.587 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.667 6.024 -5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -2.223 6.829 -5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.971 4.822 -3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.223 4.955 -3.575 1.00 0.00 H new ATOM 527 N ILE A 424 -5.705 6.591 -1.425 1.00 0.00 N ATOM 528 CA ILE A 424 -7.009 6.487 -0.789 1.00 0.00 C ATOM 529 C ILE A 424 -6.920 6.759 0.711 1.00 0.00 C ATOM 530 O ILE A 424 -7.892 7.192 1.331 1.00 0.00 O ATOM 531 CB ILE A 424 -7.619 5.088 -1.018 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.912 4.874 -2.505 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.883 4.910 -0.192 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.695 3.449 -2.964 1.00 0.00 C ATOM 0 H ILE A 424 -5.117 5.764 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.651 7.241 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.896 4.339 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.944 5.160 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.276 5.537 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.296 3.917 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.645 5.021 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.615 5.664 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.921 3.371 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -6.657 3.166 -2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -8.350 2.782 -2.403 1.00 0.00 H new ATOM 546 N CYS A 425 -5.755 6.494 1.295 1.00 0.00 N ATOM 547 CA CYS A 425 -5.554 6.701 2.725 1.00 0.00 C ATOM 548 C CYS A 425 -4.332 7.575 3.010 1.00 0.00 C ATOM 549 O CYS A 425 -4.092 7.961 4.154 1.00 0.00 O ATOM 550 CB CYS A 425 -5.411 5.353 3.428 1.00 0.00 C ATOM 551 SG CYS A 425 -6.798 4.232 3.135 1.00 0.00 S ATOM 0 H CYS A 425 -4.938 6.136 0.801 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.428 7.226 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.491 4.874 3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.311 5.521 4.500 1.00 0.00 H new ATOM 556 N ASP A 426 -3.561 7.886 1.971 1.00 0.00 N ATOM 557 CA ASP A 426 -2.369 8.715 2.125 1.00 0.00 C ATOM 558 C ASP A 426 -1.356 8.053 3.055 1.00 0.00 C ATOM 559 O ASP A 426 -0.765 8.710 3.912 1.00 0.00 O ATOM 560 CB ASP A 426 -2.750 10.096 2.663 1.00 0.00 C ATOM 561 CG ASP A 426 -3.159 11.054 1.562 1.00 0.00 C ATOM 562 OD1 ASP A 426 -4.145 10.758 0.854 1.00 0.00 O ATOM 563 OD2 ASP A 426 -2.494 12.100 1.408 1.00 0.00 O ATOM 0 H ASP A 426 -3.740 7.577 1.015 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.908 8.829 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.570 9.992 3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -1.906 10.515 3.210 1.00 0.00 H new ATOM 568 N LYS A 427 -1.163 6.751 2.881 1.00 0.00 N ATOM 569 CA LYS A 427 -0.222 6.001 3.706 1.00 0.00 C ATOM 570 C LYS A 427 0.936 5.468 2.868 1.00 0.00 C ATOM 571 O LYS A 427 0.737 4.969 1.760 1.00 0.00 O ATOM 572 CB LYS A 427 -0.938 4.841 4.403 1.00 0.00 C ATOM 573 CG LYS A 427 -0.477 4.614 5.835 1.00 0.00 C ATOM 574 CD LYS A 427 -0.197 3.144 6.105 1.00 0.00 C ATOM 575 CE LYS A 427 0.204 2.911 7.553 1.00 0.00 C ATOM 576 NZ LYS A 427 1.683 2.870 7.720 1.00 0.00 N ATOM 0 H LYS A 427 -1.645 6.192 2.177 1.00 0.00 H new ATOM 0 HA LYS A 427 0.182 6.678 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -2.011 5.034 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.777 3.928 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 427 0.424 5.198 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -1.241 4.973 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -1.084 2.555 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 427 0.598 2.797 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -0.210 3.704 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -0.227 1.973 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 1.915 2.709 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 2.076 2.097 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 2.093 3.775 7.411 1.00 0.00 H new ATOM 590 N ILE A 428 2.148 5.572 3.406 1.00 0.00 N ATOM 591 CA ILE A 428 3.337 5.094 2.710 1.00 0.00 C ATOM 592 C ILE A 428 3.732 3.707 3.204 1.00 0.00 C ATOM 593 O ILE A 428 3.585 3.397 4.386 1.00 0.00 O ATOM 594 CB ILE A 428 4.526 6.057 2.898 1.00 0.00 C ATOM 595 CG1 ILE A 428 4.103 7.491 2.570 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.704 5.631 2.030 1.00 0.00 C ATOM 597 CD1 ILE A 428 5.221 8.501 2.713 1.00 0.00 C ATOM 0 H ILE A 428 2.332 5.983 4.321 1.00 0.00 H new ATOM 0 HA ILE A 428 3.090 5.045 1.649 1.00 0.00 H new ATOM 0 HB ILE A 428 4.842 6.019 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 428 3.723 7.524 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.280 7.777 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.533 6.323 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 428 6.017 4.625 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.405 5.640 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.848 9.495 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 428 5.586 8.497 3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 428 6.036 8.240 2.037 1.00 0.00 H new ATOM 609 N PHE A 429 4.224 2.870 2.295 1.00 0.00 N ATOM 610 CA PHE A 429 4.625 1.514 2.652 1.00 0.00 C ATOM 611 C PHE A 429 6.013 1.171 2.105 1.00 0.00 C ATOM 612 O PHE A 429 6.224 1.164 0.894 1.00 0.00 O ATOM 613 CB PHE A 429 3.605 0.504 2.118 1.00 0.00 C ATOM 614 CG PHE A 429 2.266 0.578 2.794 1.00 0.00 C ATOM 615 CD1 PHE A 429 2.103 0.109 4.088 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.169 1.110 2.134 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.872 0.172 4.712 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.064 1.176 2.753 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.213 0.707 4.044 1.00 0.00 C ATOM 0 H PHE A 429 4.354 3.106 1.311 1.00 0.00 H new ATOM 0 HA PHE A 429 4.664 1.461 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.471 0.668 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 429 4.007 -0.502 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.948 -0.310 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.280 1.477 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.758 -0.196 5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.911 1.594 2.228 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.176 0.758 4.530 1.00 0.00 H new ATOM 629 N PRO A 430 6.977 0.860 2.993 1.00 0.00 N ATOM 630 CA PRO A 430 8.339 0.489 2.590 1.00 0.00 C ATOM 631 C PRO A 430 8.338 -0.741 1.685 1.00 0.00 C ATOM 632 O PRO A 430 7.372 -1.504 1.671 1.00 0.00 O ATOM 633 CB PRO A 430 9.047 0.179 3.914 1.00 0.00 C ATOM 634 CG PRO A 430 8.228 0.853 4.960 1.00 0.00 C ATOM 635 CD PRO A 430 6.812 0.825 4.458 1.00 0.00 C ATOM 0 HA PRO A 430 8.827 1.279 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 430 9.103 -0.895 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 430 10.070 0.555 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 430 8.314 0.336 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.565 1.877 5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 430 6.286 -0.073 4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.239 1.679 4.820 1.00 0.00 H new ATOM 643 N ALA A 431 9.407 -0.923 0.915 1.00 0.00 N ATOM 644 CA ALA A 431 9.499 -2.058 -0.003 1.00 0.00 C ATOM 645 C ALA A 431 9.241 -3.377 0.719 1.00 0.00 C ATOM 646 O ALA A 431 8.668 -4.304 0.148 1.00 0.00 O ATOM 647 CB ALA A 431 10.864 -2.088 -0.676 1.00 0.00 C ATOM 0 H ALA A 431 10.218 -0.304 0.907 1.00 0.00 H new ATOM 0 HA ALA A 431 8.730 -1.933 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.916 -2.938 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 431 11.013 -1.165 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.642 -2.182 0.082 1.00 0.00 H new ATOM 653 N THR A 432 9.647 -3.450 1.981 1.00 0.00 N ATOM 654 CA THR A 432 9.432 -4.654 2.775 1.00 0.00 C ATOM 655 C THR A 432 7.949 -4.823 3.082 1.00 0.00 C ATOM 656 O THR A 432 7.504 -5.899 3.482 1.00 0.00 O ATOM 657 CB THR A 432 10.235 -4.588 4.075 1.00 0.00 C ATOM 658 OG1 THR A 432 11.413 -3.821 3.899 1.00 0.00 O ATOM 659 CG2 THR A 432 10.647 -5.949 4.593 1.00 0.00 C ATOM 0 H THR A 432 10.124 -2.695 2.474 1.00 0.00 H new ATOM 0 HA THR A 432 9.773 -5.514 2.200 1.00 0.00 H new ATOM 0 HB THR A 432 9.568 -4.126 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 432 11.233 -2.886 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 432 11.213 -5.831 5.517 1.00 0.00 H new ATOM 0 HG22 THR A 432 9.758 -6.549 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 432 11.267 -6.449 3.849 1.00 0.00 H new ATOM 667 N GLU A 433 7.188 -3.752 2.880 1.00 0.00 N ATOM 668 CA GLU A 433 5.756 -3.774 3.121 1.00 0.00 C ATOM 669 C GLU A 433 4.982 -3.810 1.807 1.00 0.00 C ATOM 670 O GLU A 433 3.788 -3.517 1.776 1.00 0.00 O ATOM 671 CB GLU A 433 5.338 -2.556 3.947 1.00 0.00 C ATOM 672 CG GLU A 433 4.851 -2.907 5.344 1.00 0.00 C ATOM 673 CD GLU A 433 5.160 -1.823 6.358 1.00 0.00 C ATOM 674 OE1 GLU A 433 6.352 -1.489 6.525 1.00 0.00 O ATOM 675 OE2 GLU A 433 4.210 -1.309 6.985 1.00 0.00 O ATOM 0 H GLU A 433 7.545 -2.856 2.548 1.00 0.00 H new ATOM 0 HA GLU A 433 5.520 -4.679 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 433 6.184 -1.874 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.547 -2.023 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 433 3.775 -3.078 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 433 5.315 -3.841 5.663 1.00 0.00 H new ATOM 682 N LYS A 434 5.661 -4.182 0.722 1.00 0.00 N ATOM 683 CA LYS A 434 5.016 -4.266 -0.583 1.00 0.00 C ATOM 684 C LYS A 434 3.799 -5.177 -0.497 1.00 0.00 C ATOM 685 O LYS A 434 2.727 -4.858 -1.012 1.00 0.00 O ATOM 686 CB LYS A 434 5.997 -4.794 -1.634 1.00 0.00 C ATOM 687 CG LYS A 434 5.380 -4.968 -3.012 1.00 0.00 C ATOM 688 CD LYS A 434 6.414 -5.414 -4.033 1.00 0.00 C ATOM 689 CE LYS A 434 6.635 -6.918 -3.986 1.00 0.00 C ATOM 690 NZ LYS A 434 6.174 -7.586 -5.234 1.00 0.00 N ATOM 0 H LYS A 434 6.651 -4.428 0.723 1.00 0.00 H new ATOM 0 HA LYS A 434 4.696 -3.268 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.841 -4.108 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 434 6.393 -5.753 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 434 4.576 -5.703 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.932 -4.027 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.088 -5.125 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 434 7.357 -4.901 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 434 7.694 -7.125 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 434 6.102 -7.337 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 6.342 -8.610 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 5.158 -7.410 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 6.700 -7.205 -6.046 1.00 0.00 H new ATOM 704 N GLN A 435 3.976 -6.305 0.180 1.00 0.00 N ATOM 705 CA GLN A 435 2.895 -7.265 0.366 1.00 0.00 C ATOM 706 C GLN A 435 1.779 -6.637 1.196 1.00 0.00 C ATOM 707 O GLN A 435 0.595 -6.766 0.873 1.00 0.00 O ATOM 708 CB GLN A 435 3.412 -8.539 1.048 1.00 0.00 C ATOM 709 CG GLN A 435 4.487 -8.291 2.101 1.00 0.00 C ATOM 710 CD GLN A 435 4.708 -9.493 2.999 1.00 0.00 C ATOM 711 OE1 GLN A 435 5.831 -9.976 3.142 1.00 0.00 O ATOM 712 NE2 GLN A 435 3.634 -9.981 3.609 1.00 0.00 N ATOM 0 H GLN A 435 4.860 -6.578 0.610 1.00 0.00 H new ATOM 0 HA GLN A 435 2.500 -7.538 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 435 2.573 -9.054 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 435 3.812 -9.209 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 435 5.424 -8.034 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 435 4.203 -7.433 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 435 2.722 -9.548 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 435 3.721 -10.789 4.226 1.00 0.00 H new ATOM 721 N ILE A 436 2.169 -5.941 2.259 1.00 0.00 N ATOM 722 CA ILE A 436 1.211 -5.273 3.131 1.00 0.00 C ATOM 723 C ILE A 436 0.504 -4.158 2.378 1.00 0.00 C ATOM 724 O ILE A 436 -0.692 -3.927 2.559 1.00 0.00 O ATOM 725 CB ILE A 436 1.888 -4.675 4.385 1.00 0.00 C ATOM 726 CG1 ILE A 436 3.000 -5.593 4.904 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.853 -4.428 5.473 1.00 0.00 C ATOM 728 CD1 ILE A 436 2.580 -7.038 5.047 1.00 0.00 C ATOM 0 H ILE A 436 3.143 -5.825 2.537 1.00 0.00 H new ATOM 0 HA ILE A 436 0.493 -6.027 3.453 1.00 0.00 H new ATOM 0 HB ILE A 436 2.341 -3.724 4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.851 -5.537 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.340 -5.225 5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.342 -4.007 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.100 -3.730 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 436 0.375 -5.370 5.741 1.00 0.00 H new ATOM 0 HD11 ILE A 436 3.419 -7.626 5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 436 1.749 -7.108 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 436 2.268 -7.424 4.076 1.00 0.00 H new ATOM 740 N PHE A 437 1.255 -3.471 1.524 1.00 0.00 N ATOM 741 CA PHE A 437 0.709 -2.381 0.731 1.00 0.00 C ATOM 742 C PHE A 437 -0.364 -2.904 -0.215 1.00 0.00 C ATOM 743 O PHE A 437 -1.452 -2.339 -0.303 1.00 0.00 O ATOM 744 CB PHE A 437 1.824 -1.690 -0.062 1.00 0.00 C ATOM 745 CG PHE A 437 1.321 -0.801 -1.164 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.380 0.180 -0.903 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.785 -0.953 -2.461 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.090 0.995 -1.914 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.318 -0.142 -3.477 1.00 0.00 C ATOM 750 CZ PHE A 437 0.378 0.833 -3.203 1.00 0.00 C ATOM 0 H PHE A 437 2.246 -3.652 1.365 1.00 0.00 H new ATOM 0 HA PHE A 437 0.257 -1.652 1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.431 -1.097 0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.478 -2.450 -0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 437 0.009 0.310 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.520 -1.714 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.823 1.758 -1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.687 -0.270 -4.484 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.010 1.467 -3.996 1.00 0.00 H new ATOM 760 N GLU A 438 -0.057 -3.996 -0.910 1.00 0.00 N ATOM 761 CA GLU A 438 -1.004 -4.596 -1.842 1.00 0.00 C ATOM 762 C GLU A 438 -2.286 -4.976 -1.115 1.00 0.00 C ATOM 763 O GLU A 438 -3.387 -4.716 -1.600 1.00 0.00 O ATOM 764 CB GLU A 438 -0.392 -5.828 -2.508 1.00 0.00 C ATOM 765 CG GLU A 438 0.703 -5.498 -3.511 1.00 0.00 C ATOM 766 CD GLU A 438 0.237 -5.634 -4.947 1.00 0.00 C ATOM 767 OE1 GLU A 438 -0.950 -5.358 -5.215 1.00 0.00 O ATOM 768 OE2 GLU A 438 1.062 -6.015 -5.804 1.00 0.00 O ATOM 0 H GLU A 438 0.838 -4.481 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.240 -3.865 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.018 -6.481 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.180 -6.386 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 438 1.052 -4.479 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 438 1.554 -6.158 -3.345 1.00 0.00 H new ATOM 775 N ASP A 439 -2.136 -5.576 0.061 1.00 0.00 N ATOM 776 CA ASP A 439 -3.287 -5.968 0.860 1.00 0.00 C ATOM 777 C ASP A 439 -4.048 -4.728 1.320 1.00 0.00 C ATOM 778 O ASP A 439 -5.278 -4.726 1.384 1.00 0.00 O ATOM 779 CB ASP A 439 -2.843 -6.791 2.071 1.00 0.00 C ATOM 780 CG ASP A 439 -2.887 -8.283 1.805 1.00 0.00 C ATOM 781 OD1 ASP A 439 -3.935 -8.770 1.330 1.00 0.00 O ATOM 782 OD2 ASP A 439 -1.875 -8.964 2.071 1.00 0.00 O ATOM 0 H ASP A 439 -1.233 -5.800 0.479 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.945 -6.583 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -1.829 -6.504 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -3.485 -6.557 2.920 1.00 0.00 H new ATOM 787 N HIS A 440 -3.300 -3.674 1.631 1.00 0.00 N ATOM 788 CA HIS A 440 -3.890 -2.419 2.082 1.00 0.00 C ATOM 789 C HIS A 440 -4.716 -1.775 0.973 1.00 0.00 C ATOM 790 O HIS A 440 -5.851 -1.358 1.198 1.00 0.00 O ATOM 791 CB HIS A 440 -2.793 -1.457 2.543 1.00 0.00 C ATOM 792 CG HIS A 440 -3.314 -0.138 3.023 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.936 0.048 4.237 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.288 1.081 2.426 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.262 1.343 4.337 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.888 2.013 3.266 1.00 0.00 N ATOM 0 H HIS A 440 -2.281 -3.665 1.579 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.552 -2.636 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.223 -1.927 3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.101 -1.286 1.718 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -4.116 -0.673 4.936 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.868 1.293 1.454 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.766 1.781 5.186 1.00 0.00 H new ATOM 804 N VAL A 441 -4.146 -1.706 -0.229 1.00 0.00 N ATOM 805 CA VAL A 441 -4.852 -1.118 -1.365 1.00 0.00 C ATOM 806 C VAL A 441 -6.055 -1.976 -1.737 1.00 0.00 C ATOM 807 O VAL A 441 -7.083 -1.465 -2.182 1.00 0.00 O ATOM 808 CB VAL A 441 -3.950 -0.958 -2.612 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.401 0.237 -3.437 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.486 -0.807 -2.230 1.00 0.00 C ATOM 0 H VAL A 441 -3.208 -2.046 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.171 -0.124 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 441 -4.047 -1.865 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.758 0.339 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.432 0.088 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.337 1.142 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.884 -0.697 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.363 0.075 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.160 -1.691 -1.682 1.00 0.00 H new ATOM 820 N PHE A 442 -5.918 -3.284 -1.545 1.00 0.00 N ATOM 821 CA PHE A 442 -6.991 -4.221 -1.853 1.00 0.00 C ATOM 822 C PHE A 442 -8.193 -3.979 -0.946 1.00 0.00 C ATOM 823 O PHE A 442 -9.338 -4.006 -1.397 1.00 0.00 O ATOM 824 CB PHE A 442 -6.500 -5.662 -1.699 1.00 0.00 C ATOM 825 CG PHE A 442 -6.117 -6.304 -3.001 1.00 0.00 C ATOM 826 CD1 PHE A 442 -5.266 -5.659 -3.884 1.00 0.00 C ATOM 827 CD2 PHE A 442 -6.607 -7.554 -3.341 1.00 0.00 C ATOM 828 CE1 PHE A 442 -4.913 -6.247 -5.083 1.00 0.00 C ATOM 829 CE2 PHE A 442 -6.258 -8.149 -4.540 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.409 -7.494 -5.412 1.00 0.00 C ATOM 0 H PHE A 442 -5.072 -3.719 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.298 -4.061 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.640 -5.675 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.282 -6.256 -1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -4.874 -4.685 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -7.269 -8.070 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -4.250 -5.733 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -6.648 -9.123 -4.794 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.134 -7.956 -6.349 1.00 0.00 H new ATOM 840 N CYS A 443 -7.924 -3.735 0.335 1.00 0.00 N ATOM 841 CA CYS A 443 -8.988 -3.482 1.303 1.00 0.00 C ATOM 842 C CYS A 443 -9.879 -2.337 0.835 1.00 0.00 C ATOM 843 O CYS A 443 -11.069 -2.292 1.145 1.00 0.00 O ATOM 844 CB CYS A 443 -8.388 -3.144 2.672 1.00 0.00 C ATOM 845 SG CYS A 443 -9.495 -3.473 4.063 1.00 0.00 S ATOM 0 H CYS A 443 -6.982 -3.707 0.725 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.593 -4.384 1.389 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.471 -3.718 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.109 -2.090 2.685 1.00 0.00 H new ATOM 0 HG CYS A 443 -8.900 -3.158 5.175 1.00 0.00 H new ATOM 851 N HIS A 444 -9.289 -1.415 0.085 1.00 0.00 N ATOM 852 CA HIS A 444 -10.014 -0.264 -0.436 1.00 0.00 C ATOM 853 C HIS A 444 -10.839 -0.640 -1.664 1.00 0.00 C ATOM 854 O HIS A 444 -11.803 0.044 -2.008 1.00 0.00 O ATOM 855 CB HIS A 444 -9.028 0.854 -0.776 1.00 0.00 C ATOM 856 CG HIS A 444 -8.018 1.084 0.304 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.300 0.974 1.647 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.702 1.405 0.222 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.174 1.225 2.324 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.174 1.492 1.506 1.00 0.00 N ATOM 0 H HIS A 444 -8.304 -1.443 -0.177 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.704 0.086 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.512 0.607 -1.704 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.580 1.777 -0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.206 0.742 2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.153 1.567 -0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.094 1.211 3.401 1.00 0.00 H new ATOM 868 N SER A 445 -10.460 -1.734 -2.319 1.00 0.00 N ATOM 869 CA SER A 445 -11.170 -2.200 -3.504 1.00 0.00 C ATOM 870 C SER A 445 -12.161 -3.308 -3.153 1.00 0.00 C ATOM 871 O SER A 445 -13.044 -3.636 -3.946 1.00 0.00 O ATOM 872 CB SER A 445 -10.177 -2.703 -4.554 1.00 0.00 C ATOM 873 OG SER A 445 -10.835 -3.450 -5.563 1.00 0.00 O ATOM 0 H SER A 445 -9.665 -2.313 -2.048 1.00 0.00 H new ATOM 0 HA SER A 445 -11.728 -1.358 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 445 -9.659 -1.856 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 445 -9.419 -3.322 -4.075 1.00 0.00 H new ATOM 0 HG SER A 445 -10.179 -3.759 -6.222 1.00 0.00 H new ATOM 879 N LEU A 446 -12.014 -3.882 -1.961 1.00 0.00 N ATOM 880 CA LEU A 446 -12.901 -4.950 -1.511 1.00 0.00 C ATOM 881 C LEU A 446 -13.031 -4.944 0.008 1.00 0.00 C ATOM 882 O LEU A 446 -12.067 -5.357 0.686 1.00 0.00 O ATOM 883 CB LEU A 446 -12.383 -6.309 -1.984 1.00 0.00 C ATOM 884 CG LEU A 446 -10.868 -6.499 -1.887 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.532 -7.945 -1.560 1.00 0.00 C ATOM 886 CD2 LEU A 446 -10.194 -6.071 -3.182 1.00 0.00 C ATOM 887 OXT LEU A 446 -14.096 -4.526 0.509 1.00 0.00 O ATOM 0 H LEU A 446 -11.290 -3.625 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.886 -4.775 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -12.869 -7.089 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -12.686 -6.454 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.492 -5.870 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.450 -8.061 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.984 -8.217 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -10.920 -8.595 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -9.117 -6.213 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -10.574 -6.674 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -10.407 -5.019 -3.373 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.136 3.117 2.154 1.00 0.00 ZN