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 Single : A 390 SER OG : rot 180:sc= 0 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 LYS NZ :NH3+ -165:sc=-0.00401 (180deg=-0.0648) USER MOD Single : A 397 CYS SG : rot 180:sc= 0 USER MOD Single : A 400 CYS SG : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 CYS SG : rot 180:sc= 0.00449 USER MOD Single : A 408 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.0098) USER MOD Single : A 409 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 412 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 413 GLN : amide:sc= -0.952 K(o=-0.95,f=-4.7!) USER MOD Single : A 414 GLN : amide:sc= -2.44 K(o=-2.4,f=-0.67) USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 416 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.0021) USER MOD Single : A 419 CYS SG : rot 180:sc= -1.65 USER MOD Single : A 421 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.044) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ -149:sc= -0.276 (180deg=-1.57!) USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 -2.663 -4.451 -21.111 1.00 0.00 N ATOM 2 CA SER A 390 -3.230 -5.210 -19.961 1.00 0.00 C ATOM 3 C SER A 390 -4.434 -6.053 -20.382 1.00 0.00 C ATOM 4 O SER A 390 -4.462 -7.263 -20.156 1.00 0.00 O ATOM 5 CB SER A 390 -3.628 -4.219 -18.860 1.00 0.00 C ATOM 6 OG SER A 390 -4.693 -4.722 -18.072 1.00 0.00 O ATOM 0 HA SER A 390 -2.472 -5.897 -19.586 1.00 0.00 H new ATOM 0 HB2 SER A 390 -2.767 -4.015 -18.223 1.00 0.00 H new ATOM 0 HB3 SER A 390 -3.923 -3.271 -19.311 1.00 0.00 H new ATOM 0 HG SER A 390 -4.923 -4.069 -17.378 1.00 0.00 H new ATOM 14 N PRO A 391 -5.450 -5.426 -21.002 1.00 0.00 N ATOM 15 CA PRO A 391 -6.653 -6.131 -21.449 1.00 0.00 C ATOM 16 C PRO A 391 -6.421 -6.917 -22.736 1.00 0.00 C ATOM 17 O PRO A 391 -7.083 -6.683 -23.747 1.00 0.00 O ATOM 18 CB PRO A 391 -7.649 -4.996 -21.685 1.00 0.00 C ATOM 19 CG PRO A 391 -6.803 -3.831 -22.066 1.00 0.00 C ATOM 20 CD PRO A 391 -5.507 -3.984 -21.314 1.00 0.00 C ATOM 0 HA PRO A 391 -6.990 -6.873 -20.725 1.00 0.00 H new ATOM 0 HB2 PRO A 391 -8.357 -5.247 -22.474 1.00 0.00 H new ATOM 0 HB3 PRO A 391 -8.232 -4.787 -20.788 1.00 0.00 H new ATOM 0 HG2 PRO A 391 -6.628 -3.813 -23.142 1.00 0.00 H new ATOM 0 HG3 PRO A 391 -7.294 -2.893 -21.807 1.00 0.00 H new ATOM 0 HD2 PRO A 391 -4.655 -3.671 -21.917 1.00 0.00 H new ATOM 0 HD3 PRO A 391 -5.496 -3.378 -20.408 1.00 0.00 H new ATOM 28 N LEU A 392 -5.477 -7.851 -22.690 1.00 0.00 N ATOM 29 CA LEU A 392 -5.159 -8.673 -23.851 1.00 0.00 C ATOM 30 C LEU A 392 -4.754 -10.081 -23.425 1.00 0.00 C ATOM 31 O LEU A 392 -4.600 -10.361 -22.237 1.00 0.00 O ATOM 32 CB LEU A 392 -4.035 -8.026 -24.667 1.00 0.00 C ATOM 33 CG LEU A 392 -4.446 -7.530 -26.054 1.00 0.00 C ATOM 34 CD1 LEU A 392 -4.844 -6.063 -26.000 1.00 0.00 C ATOM 35 CD2 LEU A 392 -3.318 -7.742 -27.053 1.00 0.00 C ATOM 0 H LEU A 392 -4.919 -8.057 -21.861 1.00 0.00 H new ATOM 0 HA LEU A 392 -6.052 -8.745 -24.472 1.00 0.00 H new ATOM 0 HB2 LEU A 392 -3.634 -7.185 -24.101 1.00 0.00 H new ATOM 0 HB3 LEU A 392 -3.227 -8.749 -24.781 1.00 0.00 H new ATOM 0 HG LEU A 392 -5.309 -8.108 -26.384 1.00 0.00 H new ATOM 0 HD11 LEU A 392 -5.133 -5.728 -26.996 1.00 0.00 H new ATOM 0 HD12 LEU A 392 -5.684 -5.939 -25.317 1.00 0.00 H new ATOM 0 HD13 LEU A 392 -4.000 -5.470 -25.648 1.00 0.00 H new ATOM 0 HD21 LEU A 392 -3.629 -7.383 -28.034 1.00 0.00 H new ATOM 0 HD22 LEU A 392 -2.436 -7.191 -26.728 1.00 0.00 H new ATOM 0 HD23 LEU A 392 -3.080 -8.804 -27.114 1.00 0.00 H new ATOM 47 N SER A 393 -4.581 -10.964 -24.405 1.00 0.00 N ATOM 48 CA SER A 393 -4.194 -12.343 -24.131 1.00 0.00 C ATOM 49 C SER A 393 -2.680 -12.509 -24.213 1.00 0.00 C ATOM 50 O SER A 393 -2.097 -13.335 -23.511 1.00 0.00 O ATOM 51 CB SER A 393 -4.877 -13.291 -25.118 1.00 0.00 C ATOM 52 OG SER A 393 -6.101 -13.778 -24.594 1.00 0.00 O ATOM 0 H SER A 393 -4.703 -10.749 -25.395 1.00 0.00 H new ATOM 0 HA SER A 393 -4.514 -12.591 -23.119 1.00 0.00 H new ATOM 0 HB2 SER A 393 -5.062 -12.771 -26.058 1.00 0.00 H new ATOM 0 HB3 SER A 393 -4.215 -14.128 -25.341 1.00 0.00 H new ATOM 0 HG SER A 393 -6.519 -14.380 -25.244 1.00 0.00 H new ATOM 58 N ILE A 394 -2.048 -11.718 -25.076 1.00 0.00 N ATOM 59 CA ILE A 394 -0.602 -11.778 -25.250 1.00 0.00 C ATOM 60 C ILE A 394 0.105 -10.813 -24.305 1.00 0.00 C ATOM 61 O ILE A 394 -0.417 -9.744 -23.989 1.00 0.00 O ATOM 62 CB ILE A 394 -0.197 -11.450 -26.699 1.00 0.00 C ATOM 63 CG1 ILE A 394 -0.788 -10.105 -27.125 1.00 0.00 C ATOM 64 CG2 ILE A 394 -0.648 -12.557 -27.640 1.00 0.00 C ATOM 65 CD1 ILE A 394 -0.027 -9.440 -28.252 1.00 0.00 C ATOM 0 H ILE A 394 -2.515 -11.029 -25.665 1.00 0.00 H new ATOM 0 HA ILE A 394 -0.297 -12.798 -25.018 1.00 0.00 H new ATOM 0 HB ILE A 394 0.890 -11.379 -26.749 1.00 0.00 H new ATOM 0 HG12 ILE A 394 -1.823 -10.253 -27.434 1.00 0.00 H new ATOM 0 HG13 ILE A 394 -0.805 -9.436 -26.265 1.00 0.00 H new ATOM 0 HG21 ILE A 394 -0.354 -12.310 -28.660 1.00 0.00 H new ATOM 0 HG22 ILE A 394 -0.182 -13.497 -27.346 1.00 0.00 H new ATOM 0 HG23 ILE A 394 -1.732 -12.658 -27.589 1.00 0.00 H new ATOM 0 HD11 ILE A 394 -0.502 -8.491 -28.502 1.00 0.00 H new ATOM 0 HD12 ILE A 394 1.002 -9.260 -27.940 1.00 0.00 H new ATOM 0 HD13 ILE A 394 -0.032 -10.090 -29.127 1.00 0.00 H new ATOM 77 N LYS A 395 1.295 -11.198 -23.857 1.00 0.00 N ATOM 78 CA LYS A 395 2.076 -10.366 -22.949 1.00 0.00 C ATOM 79 C LYS A 395 3.513 -10.224 -23.440 1.00 0.00 C ATOM 80 O LYS A 395 4.443 -10.096 -22.643 1.00 0.00 O ATOM 81 CB LYS A 395 2.059 -10.962 -21.538 1.00 0.00 C ATOM 82 CG LYS A 395 1.597 -9.982 -20.470 1.00 0.00 C ATOM 83 CD LYS A 395 0.152 -10.233 -20.071 1.00 0.00 C ATOM 84 CE LYS A 395 -0.422 -9.063 -19.286 1.00 0.00 C ATOM 85 NZ LYS A 395 -0.550 -9.376 -17.837 1.00 0.00 N ATOM 0 H LYS A 395 1.740 -12.081 -24.108 1.00 0.00 H new ATOM 0 HA LYS A 395 1.624 -9.375 -22.922 1.00 0.00 H new ATOM 0 HB2 LYS A 395 1.404 -11.833 -21.528 1.00 0.00 H new ATOM 0 HB3 LYS A 395 3.060 -11.313 -21.289 1.00 0.00 H new ATOM 0 HG2 LYS A 395 2.238 -10.069 -19.593 1.00 0.00 H new ATOM 0 HG3 LYS A 395 1.701 -8.962 -20.841 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -0.449 -10.403 -20.964 1.00 0.00 H new ATOM 0 HD3 LYS A 395 0.092 -11.140 -19.470 1.00 0.00 H new ATOM 0 HE2 LYS A 395 0.219 -8.191 -19.414 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -1.400 -8.801 -19.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -0.945 -8.553 -17.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -1.182 -10.192 -17.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 0.387 -9.601 -17.446 1.00 0.00 H new ATOM 99 N LYS A 396 3.687 -10.247 -24.758 1.00 0.00 N ATOM 100 CA LYS A 396 5.012 -10.121 -25.357 1.00 0.00 C ATOM 101 C LYS A 396 5.105 -8.863 -26.213 1.00 0.00 C ATOM 102 O LYS A 396 4.258 -8.622 -27.073 1.00 0.00 O ATOM 103 CB LYS A 396 5.330 -11.353 -26.205 1.00 0.00 C ATOM 104 CG LYS A 396 5.629 -12.597 -25.385 1.00 0.00 C ATOM 105 CD LYS A 396 5.450 -13.864 -26.207 1.00 0.00 C ATOM 106 CE LYS A 396 6.601 -14.834 -25.996 1.00 0.00 C ATOM 107 NZ LYS A 396 7.865 -14.337 -26.607 1.00 0.00 N ATOM 0 H LYS A 396 2.928 -10.352 -25.431 1.00 0.00 H new ATOM 0 HA LYS A 396 5.742 -10.045 -24.551 1.00 0.00 H new ATOM 0 HB2 LYS A 396 4.486 -11.557 -26.864 1.00 0.00 H new ATOM 0 HB3 LYS A 396 6.187 -11.134 -26.842 1.00 0.00 H new ATOM 0 HG2 LYS A 396 6.650 -12.548 -25.008 1.00 0.00 H new ATOM 0 HG3 LYS A 396 4.970 -12.629 -24.517 1.00 0.00 H new ATOM 0 HD2 LYS A 396 4.512 -14.347 -25.933 1.00 0.00 H new ATOM 0 HD3 LYS A 396 5.380 -13.606 -27.264 1.00 0.00 H new ATOM 0 HE2 LYS A 396 6.752 -14.992 -24.928 1.00 0.00 H new ATOM 0 HE3 LYS A 396 6.345 -15.801 -26.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 8.551 -15.117 -26.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 7.669 -13.971 -27.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 8.259 -13.575 -26.018 1.00 0.00 H new ATOM 121 N CYS A 397 6.139 -8.063 -25.972 1.00 0.00 N ATOM 122 CA CYS A 397 6.343 -6.830 -26.723 1.00 0.00 C ATOM 123 C CYS A 397 7.746 -6.779 -27.317 1.00 0.00 C ATOM 124 O CYS A 397 8.734 -6.968 -26.607 1.00 0.00 O ATOM 125 CB CYS A 397 6.112 -5.615 -25.823 1.00 0.00 C ATOM 126 SG CYS A 397 6.036 -4.042 -26.710 1.00 0.00 S ATOM 0 H CYS A 397 6.848 -8.247 -25.262 1.00 0.00 H new ATOM 0 HA CYS A 397 5.622 -6.810 -27.540 1.00 0.00 H new ATOM 0 HB2 CYS A 397 5.181 -5.755 -25.274 1.00 0.00 H new ATOM 0 HB3 CYS A 397 6.913 -5.565 -25.085 1.00 0.00 H new ATOM 0 HG CYS A 397 5.836 -3.076 -25.864 1.00 0.00 H new ATOM 132 N PRO A 398 7.856 -6.524 -28.634 1.00 0.00 N ATOM 133 CA PRO A 398 9.153 -6.453 -29.307 1.00 0.00 C ATOM 134 C PRO A 398 10.102 -5.478 -28.623 1.00 0.00 C ATOM 135 O PRO A 398 9.725 -4.355 -28.290 1.00 0.00 O ATOM 136 CB PRO A 398 8.804 -5.960 -30.713 1.00 0.00 C ATOM 137 CG PRO A 398 7.386 -6.365 -30.916 1.00 0.00 C ATOM 138 CD PRO A 398 6.736 -6.286 -29.564 1.00 0.00 C ATOM 0 HA PRO A 398 9.669 -7.413 -29.297 1.00 0.00 H new ATOM 0 HB2 PRO A 398 8.922 -4.879 -30.794 1.00 0.00 H new ATOM 0 HB3 PRO A 398 9.455 -6.409 -31.463 1.00 0.00 H new ATOM 0 HG2 PRO A 398 6.889 -5.705 -31.627 1.00 0.00 H new ATOM 0 HG3 PRO A 398 7.323 -7.375 -31.321 1.00 0.00 H new ATOM 0 HD2 PRO A 398 6.274 -5.313 -29.396 1.00 0.00 H new ATOM 0 HD3 PRO A 398 5.952 -7.035 -29.450 1.00 0.00 H new ATOM 146 N ILE A 399 11.335 -5.919 -28.418 1.00 0.00 N ATOM 147 CA ILE A 399 12.348 -5.091 -27.774 1.00 0.00 C ATOM 148 C ILE A 399 13.717 -5.306 -28.409 1.00 0.00 C ATOM 149 O ILE A 399 14.561 -6.020 -27.866 1.00 0.00 O ATOM 150 CB ILE A 399 12.441 -5.387 -26.264 1.00 0.00 C ATOM 151 CG1 ILE A 399 12.509 -6.896 -26.020 1.00 0.00 C ATOM 152 CG2 ILE A 399 11.256 -4.779 -25.531 1.00 0.00 C ATOM 153 CD1 ILE A 399 13.104 -7.264 -24.678 1.00 0.00 C ATOM 0 H ILE A 399 11.660 -6.847 -28.689 1.00 0.00 H new ATOM 0 HA ILE A 399 12.044 -4.054 -27.914 1.00 0.00 H new ATOM 0 HB ILE A 399 13.354 -4.935 -25.876 1.00 0.00 H new ATOM 0 HG12 ILE A 399 11.504 -7.313 -26.090 1.00 0.00 H new ATOM 0 HG13 ILE A 399 13.101 -7.358 -26.810 1.00 0.00 H new ATOM 0 HG21 ILE A 399 11.336 -4.997 -24.466 1.00 0.00 H new ATOM 0 HG22 ILE A 399 11.250 -3.699 -25.681 1.00 0.00 H new ATOM 0 HG23 ILE A 399 10.331 -5.204 -25.920 1.00 0.00 H new ATOM 0 HD11 ILE A 399 13.121 -8.349 -24.573 1.00 0.00 H new ATOM 0 HD12 ILE A 399 14.121 -6.877 -24.612 1.00 0.00 H new ATOM 0 HD13 ILE A 399 12.499 -6.832 -23.881 1.00 0.00 H new ATOM 165 N CYS A 400 13.933 -4.683 -29.564 1.00 0.00 N ATOM 166 CA CYS A 400 15.200 -4.805 -30.275 1.00 0.00 C ATOM 167 C CYS A 400 15.847 -3.438 -30.472 1.00 0.00 C ATOM 168 O CYS A 400 15.206 -2.499 -30.944 1.00 0.00 O ATOM 169 CB CYS A 400 14.985 -5.482 -31.629 1.00 0.00 C ATOM 170 SG CYS A 400 16.326 -6.590 -32.121 1.00 0.00 S ATOM 0 H CYS A 400 13.246 -4.088 -30.027 1.00 0.00 H new ATOM 0 HA CYS A 400 15.869 -5.419 -29.672 1.00 0.00 H new ATOM 0 HB2 CYS A 400 14.054 -6.048 -31.597 1.00 0.00 H new ATOM 0 HB3 CYS A 400 14.864 -4.713 -32.392 1.00 0.00 H new ATOM 0 HG CYS A 400 16.052 -7.116 -33.278 1.00 0.00 H new ATOM 176 N LYS A 401 17.120 -3.333 -30.108 1.00 0.00 N ATOM 177 CA LYS A 401 17.854 -2.081 -30.244 1.00 0.00 C ATOM 178 C LYS A 401 17.973 -1.678 -31.711 1.00 0.00 C ATOM 179 O LYS A 401 18.002 -0.491 -32.038 1.00 0.00 O ATOM 180 CB LYS A 401 19.246 -2.211 -29.625 1.00 0.00 C ATOM 181 CG LYS A 401 20.087 -3.317 -30.244 1.00 0.00 C ATOM 182 CD LYS A 401 20.756 -4.174 -29.181 1.00 0.00 C ATOM 183 CE LYS A 401 21.425 -5.395 -29.791 1.00 0.00 C ATOM 184 NZ LYS A 401 21.650 -6.467 -28.782 1.00 0.00 N ATOM 0 H LYS A 401 17.665 -4.101 -29.716 1.00 0.00 H new ATOM 0 HA LYS A 401 17.301 -1.305 -29.715 1.00 0.00 H new ATOM 0 HB2 LYS A 401 19.772 -1.263 -29.732 1.00 0.00 H new ATOM 0 HB3 LYS A 401 19.143 -2.399 -28.556 1.00 0.00 H new ATOM 0 HG2 LYS A 401 19.457 -3.944 -30.874 1.00 0.00 H new ATOM 0 HG3 LYS A 401 20.847 -2.878 -30.890 1.00 0.00 H new ATOM 0 HD2 LYS A 401 21.498 -3.580 -28.647 1.00 0.00 H new ATOM 0 HD3 LYS A 401 20.014 -4.492 -28.448 1.00 0.00 H new ATOM 0 HE2 LYS A 401 20.806 -5.782 -30.600 1.00 0.00 H new ATOM 0 HE3 LYS A 401 22.379 -5.104 -30.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 22.108 -7.282 -29.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 22.262 -6.106 -28.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 20.737 -6.763 -28.380 1.00 0.00 H new ATOM 198 N ALA A 402 18.044 -2.672 -32.589 1.00 0.00 N ATOM 199 CA ALA A 402 18.160 -2.421 -34.021 1.00 0.00 C ATOM 200 C ALA A 402 16.857 -1.869 -34.588 1.00 0.00 C ATOM 201 O ALA A 402 16.866 -1.088 -35.540 1.00 0.00 O ATOM 202 CB ALA A 402 18.556 -3.697 -34.749 1.00 0.00 C ATOM 0 H ALA A 402 18.023 -3.659 -32.334 1.00 0.00 H new ATOM 0 HA ALA A 402 18.938 -1.673 -34.173 1.00 0.00 H new ATOM 0 HB1 ALA A 402 18.639 -3.496 -35.817 1.00 0.00 H new ATOM 0 HB2 ALA A 402 19.516 -4.049 -34.370 1.00 0.00 H new ATOM 0 HB3 ALA A 402 17.797 -4.462 -34.582 1.00 0.00 H new ATOM 208 N ASP A 403 15.740 -2.278 -33.999 1.00 0.00 N ATOM 209 CA ASP A 403 14.428 -1.824 -34.446 1.00 0.00 C ATOM 210 C ASP A 403 14.000 -0.562 -33.700 1.00 0.00 C ATOM 211 O ASP A 403 13.171 0.206 -34.189 1.00 0.00 O ATOM 212 CB ASP A 403 13.388 -2.927 -34.243 1.00 0.00 C ATOM 213 CG ASP A 403 13.314 -3.876 -35.422 1.00 0.00 C ATOM 214 OD1 ASP A 403 12.836 -3.451 -36.496 1.00 0.00 O ATOM 215 OD2 ASP A 403 13.732 -5.043 -35.272 1.00 0.00 O ATOM 0 H ASP A 403 15.716 -2.924 -33.210 1.00 0.00 H new ATOM 0 HA ASP A 403 14.497 -1.588 -35.508 1.00 0.00 H new ATOM 0 HB2 ASP A 403 13.631 -3.490 -33.342 1.00 0.00 H new ATOM 0 HB3 ASP A 403 12.409 -2.475 -34.082 1.00 0.00 H new ATOM 220 N ASP A 404 14.569 -0.353 -32.517 1.00 0.00 N ATOM 221 CA ASP A 404 14.243 0.816 -31.710 1.00 0.00 C ATOM 222 C ASP A 404 15.164 1.986 -32.047 1.00 0.00 C ATOM 223 O ASP A 404 16.330 1.790 -32.388 1.00 0.00 O ATOM 224 CB ASP A 404 14.349 0.479 -30.221 1.00 0.00 C ATOM 225 CG ASP A 404 13.197 1.048 -29.416 1.00 0.00 C ATOM 226 OD1 ASP A 404 13.301 2.209 -28.970 1.00 0.00 O ATOM 227 OD2 ASP A 404 12.190 0.331 -29.232 1.00 0.00 O ATOM 0 H ASP A 404 15.257 -0.978 -32.097 1.00 0.00 H new ATOM 0 HA ASP A 404 13.218 1.109 -31.937 1.00 0.00 H new ATOM 0 HB2 ASP A 404 14.375 -0.604 -30.097 1.00 0.00 H new ATOM 0 HB3 ASP A 404 15.289 0.867 -29.829 1.00 0.00 H new ATOM 232 N ILE A 405 14.630 3.199 -31.951 1.00 0.00 N ATOM 233 CA ILE A 405 15.404 4.399 -32.246 1.00 0.00 C ATOM 234 C ILE A 405 15.708 5.187 -30.974 1.00 0.00 C ATOM 235 O ILE A 405 16.691 5.926 -30.912 1.00 0.00 O ATOM 236 CB ILE A 405 14.665 5.311 -33.247 1.00 0.00 C ATOM 237 CG1 ILE A 405 15.527 6.525 -33.603 1.00 0.00 C ATOM 238 CG2 ILE A 405 13.325 5.754 -32.678 1.00 0.00 C ATOM 239 CD1 ILE A 405 15.451 6.913 -35.065 1.00 0.00 C ATOM 0 H ILE A 405 13.665 3.377 -31.671 1.00 0.00 H new ATOM 0 HA ILE A 405 16.342 4.070 -32.693 1.00 0.00 H new ATOM 0 HB ILE A 405 14.479 4.743 -34.158 1.00 0.00 H new ATOM 0 HG12 ILE A 405 15.215 7.373 -32.994 1.00 0.00 H new ATOM 0 HG13 ILE A 405 16.564 6.312 -33.345 1.00 0.00 H new ATOM 0 HG21 ILE A 405 12.818 6.396 -33.398 1.00 0.00 H new ATOM 0 HG22 ILE A 405 12.708 4.878 -32.476 1.00 0.00 H new ATOM 0 HG23 ILE A 405 13.487 6.305 -31.752 1.00 0.00 H new ATOM 0 HD11 ILE A 405 16.086 7.780 -35.245 1.00 0.00 H new ATOM 0 HD12 ILE A 405 15.791 6.080 -35.681 1.00 0.00 H new ATOM 0 HD13 ILE A 405 14.421 7.158 -35.323 1.00 0.00 H new ATOM 251 N CYS A 406 14.862 5.023 -29.962 1.00 0.00 N ATOM 252 CA CYS A 406 15.044 5.720 -28.694 1.00 0.00 C ATOM 253 C CYS A 406 15.808 4.852 -27.700 1.00 0.00 C ATOM 254 O CYS A 406 16.088 3.684 -27.968 1.00 0.00 O ATOM 255 CB CYS A 406 13.688 6.116 -28.106 1.00 0.00 C ATOM 256 SG CYS A 406 13.687 7.717 -27.266 1.00 0.00 S ATOM 0 H CYS A 406 14.044 4.414 -29.995 1.00 0.00 H new ATOM 0 HA CYS A 406 15.627 6.621 -28.885 1.00 0.00 H new ATOM 0 HB2 CYS A 406 12.949 6.138 -28.907 1.00 0.00 H new ATOM 0 HB3 CYS A 406 13.371 5.348 -27.401 1.00 0.00 H new ATOM 0 HG CYS A 406 12.497 7.964 -26.805 1.00 0.00 H new ATOM 262 N ASP A 407 16.144 5.430 -26.552 1.00 0.00 N ATOM 263 CA ASP A 407 16.876 4.709 -25.517 1.00 0.00 C ATOM 264 C ASP A 407 15.941 3.806 -24.719 1.00 0.00 C ATOM 265 O ASP A 407 14.981 4.276 -24.107 1.00 0.00 O ATOM 266 CB ASP A 407 17.580 5.694 -24.580 1.00 0.00 C ATOM 267 CG ASP A 407 19.036 5.901 -24.950 1.00 0.00 C ATOM 268 OD1 ASP A 407 19.300 6.611 -25.942 1.00 0.00 O ATOM 269 OD2 ASP A 407 19.910 5.354 -24.246 1.00 0.00 O ATOM 0 H ASP A 407 15.921 6.397 -26.314 1.00 0.00 H new ATOM 0 HA ASP A 407 17.625 4.085 -26.004 1.00 0.00 H new ATOM 0 HB2 ASP A 407 17.061 6.652 -24.607 1.00 0.00 H new ATOM 0 HB3 ASP A 407 17.517 5.326 -23.556 1.00 0.00 H new ATOM 274 N HIS A 408 16.229 2.509 -24.728 1.00 0.00 N ATOM 275 CA HIS A 408 15.415 1.540 -24.005 1.00 0.00 C ATOM 276 C HIS A 408 15.587 1.702 -22.497 1.00 0.00 C ATOM 277 O HIS A 408 14.639 1.531 -21.731 1.00 0.00 O ATOM 278 CB HIS A 408 15.786 0.116 -24.426 1.00 0.00 C ATOM 279 CG HIS A 408 14.774 -0.525 -25.323 1.00 0.00 C ATOM 280 ND1 HIS A 408 15.115 -1.245 -26.449 1.00 0.00 N ATOM 281 CD2 HIS A 408 13.421 -0.552 -25.257 1.00 0.00 C ATOM 282 CE1 HIS A 408 14.017 -1.686 -27.037 1.00 0.00 C ATOM 283 NE2 HIS A 408 12.976 -1.279 -26.334 1.00 0.00 N ATOM 0 H HIS A 408 17.021 2.105 -25.228 1.00 0.00 H new ATOM 0 HA HIS A 408 14.369 1.722 -24.253 1.00 0.00 H new ATOM 0 HB2 HIS A 408 16.750 0.136 -24.935 1.00 0.00 H new ATOM 0 HB3 HIS A 408 15.909 -0.498 -23.534 1.00 0.00 H new ATOM 0 HD2 HIS A 408 12.807 -0.088 -24.499 1.00 0.00 H new ATOM 0 HE1 HIS A 408 13.978 -2.279 -27.939 1.00 0.00 H new ATOM 0 HE2 HIS A 408 11.999 -1.473 -26.555 1.00 0.00 H new ATOM 292 N THR A 409 16.805 2.033 -22.078 1.00 0.00 N ATOM 293 CA THR A 409 17.102 2.218 -20.662 1.00 0.00 C ATOM 294 C THR A 409 16.871 0.927 -19.883 1.00 0.00 C ATOM 295 O THR A 409 15.743 0.444 -19.783 1.00 0.00 O ATOM 296 CB THR A 409 16.241 3.340 -20.080 1.00 0.00 C ATOM 297 OG1 THR A 409 15.848 4.247 -21.094 1.00 0.00 O ATOM 298 CG2 THR A 409 16.943 4.134 -19.000 1.00 0.00 C ATOM 0 H THR A 409 17.601 2.178 -22.699 1.00 0.00 H new ATOM 0 HA THR A 409 18.153 2.492 -20.571 1.00 0.00 H new ATOM 0 HB THR A 409 15.377 2.843 -19.639 1.00 0.00 H new ATOM 0 HG1 THR A 409 15.297 4.956 -20.703 1.00 0.00 H new ATOM 0 HG21 THR A 409 16.277 4.914 -18.630 1.00 0.00 H new ATOM 0 HG22 THR A 409 17.215 3.470 -18.179 1.00 0.00 H new ATOM 0 HG23 THR A 409 17.843 4.591 -19.411 1.00 0.00 H new ATOM 306 N LEU A 410 17.946 0.372 -19.334 1.00 0.00 N ATOM 307 CA LEU A 410 17.861 -0.863 -18.564 1.00 0.00 C ATOM 308 C LEU A 410 16.985 -0.676 -17.329 1.00 0.00 C ATOM 309 O LEU A 410 16.325 -1.611 -16.877 1.00 0.00 O ATOM 310 CB LEU A 410 19.258 -1.328 -18.148 1.00 0.00 C ATOM 311 CG LEU A 410 19.299 -2.655 -17.387 1.00 0.00 C ATOM 312 CD1 LEU A 410 20.490 -3.491 -17.831 1.00 0.00 C ATOM 313 CD2 LEU A 410 19.351 -2.407 -15.886 1.00 0.00 C ATOM 0 H LEU A 410 18.887 0.758 -19.408 1.00 0.00 H new ATOM 0 HA LEU A 410 17.406 -1.625 -19.197 1.00 0.00 H new ATOM 0 HB2 LEU A 410 19.875 -1.420 -19.042 1.00 0.00 H new ATOM 0 HB3 LEU A 410 19.711 -0.556 -17.526 1.00 0.00 H new ATOM 0 HG LEU A 410 18.388 -3.209 -17.614 1.00 0.00 H new ATOM 0 HD11 LEU A 410 20.501 -4.430 -17.278 1.00 0.00 H new ATOM 0 HD12 LEU A 410 20.411 -3.699 -18.898 1.00 0.00 H new ATOM 0 HD13 LEU A 410 21.412 -2.944 -17.635 1.00 0.00 H new ATOM 0 HD21 LEU A 410 19.380 -3.361 -15.360 1.00 0.00 H new ATOM 0 HD22 LEU A 410 20.244 -1.832 -15.643 1.00 0.00 H new ATOM 0 HD23 LEU A 410 18.466 -1.850 -15.578 1.00 0.00 H new ATOM 325 N GLU A 411 16.985 0.538 -16.788 1.00 0.00 N ATOM 326 CA GLU A 411 16.191 0.848 -15.606 1.00 0.00 C ATOM 327 C GLU A 411 14.699 0.775 -15.918 1.00 0.00 C ATOM 328 O GLU A 411 13.917 0.237 -15.135 1.00 0.00 O ATOM 329 CB GLU A 411 16.545 2.239 -15.077 1.00 0.00 C ATOM 330 CG GLU A 411 17.672 2.235 -14.057 1.00 0.00 C ATOM 331 CD GLU A 411 18.336 3.590 -13.916 1.00 0.00 C ATOM 332 OE1 GLU A 411 18.753 4.158 -14.948 1.00 0.00 O ATOM 333 OE2 GLU A 411 18.440 4.085 -12.774 1.00 0.00 O ATOM 0 H GLU A 411 17.526 1.323 -17.150 1.00 0.00 H new ATOM 0 HA GLU A 411 16.421 0.107 -14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 411 16.827 2.876 -15.915 1.00 0.00 H new ATOM 0 HB3 GLU A 411 15.658 2.683 -14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 411 17.279 1.924 -13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 411 18.419 1.497 -14.350 1.00 0.00 H new ATOM 340 N GLN A 412 14.314 1.320 -17.066 1.00 0.00 N ATOM 341 CA GLN A 412 12.917 1.317 -17.483 1.00 0.00 C ATOM 342 C GLN A 412 12.452 -0.096 -17.821 1.00 0.00 C ATOM 343 O GLN A 412 11.281 -0.435 -17.643 1.00 0.00 O ATOM 344 CB GLN A 412 12.721 2.234 -18.692 1.00 0.00 C ATOM 345 CG GLN A 412 11.429 3.033 -18.648 1.00 0.00 C ATOM 346 CD GLN A 412 11.446 4.222 -19.588 1.00 0.00 C ATOM 347 OE1 GLN A 412 11.274 4.073 -20.799 1.00 0.00 O ATOM 348 NE2 GLN A 412 11.655 5.411 -19.036 1.00 0.00 N ATOM 0 H GLN A 412 14.950 1.770 -17.725 1.00 0.00 H new ATOM 0 HA GLN A 412 12.316 1.689 -16.653 1.00 0.00 H new ATOM 0 HB2 GLN A 412 13.563 2.924 -18.754 1.00 0.00 H new ATOM 0 HB3 GLN A 412 12.735 1.631 -19.600 1.00 0.00 H new ATOM 0 HG2 GLN A 412 10.594 2.382 -18.907 1.00 0.00 H new ATOM 0 HG3 GLN A 412 11.257 3.382 -17.630 1.00 0.00 H new ATOM 0 HE21 GLN A 412 11.793 5.488 -18.028 1.00 0.00 H new ATOM 0 HE22 GLN A 412 11.678 6.247 -19.620 1.00 0.00 H new ATOM 357 N GLN A 413 13.376 -0.917 -18.311 1.00 0.00 N ATOM 358 CA GLN A 413 13.061 -2.293 -18.674 1.00 0.00 C ATOM 359 C GLN A 413 12.670 -3.106 -17.445 1.00 0.00 C ATOM 360 O GLN A 413 11.691 -3.854 -17.468 1.00 0.00 O ATOM 361 CB GLN A 413 14.258 -2.944 -19.371 1.00 0.00 C ATOM 362 CG GLN A 413 14.259 -2.759 -20.880 1.00 0.00 C ATOM 363 CD GLN A 413 15.598 -3.092 -21.507 1.00 0.00 C ATOM 364 OE1 GLN A 413 16.644 -2.637 -21.043 1.00 0.00 O ATOM 365 NE2 GLN A 413 15.573 -3.891 -22.567 1.00 0.00 N ATOM 0 H GLN A 413 14.349 -0.652 -18.466 1.00 0.00 H new ATOM 0 HA GLN A 413 12.214 -2.276 -19.359 1.00 0.00 H new ATOM 0 HB2 GLN A 413 15.178 -2.526 -18.962 1.00 0.00 H new ATOM 0 HB3 GLN A 413 14.264 -4.010 -19.144 1.00 0.00 H new ATOM 0 HG2 GLN A 413 13.488 -3.392 -21.320 1.00 0.00 H new ATOM 0 HG3 GLN A 413 13.998 -1.727 -21.116 1.00 0.00 H new ATOM 0 HE21 GLN A 413 14.683 -4.245 -22.918 1.00 0.00 H new ATOM 0 HE22 GLN A 413 16.444 -4.151 -23.030 1.00 0.00 H new ATOM 374 N GLN A 414 13.439 -2.954 -16.372 1.00 0.00 N ATOM 375 CA GLN A 414 13.173 -3.675 -15.132 1.00 0.00 C ATOM 376 C GLN A 414 12.148 -2.934 -14.279 1.00 0.00 C ATOM 377 O GLN A 414 11.885 -1.751 -14.495 1.00 0.00 O ATOM 378 CB GLN A 414 14.469 -3.866 -14.342 1.00 0.00 C ATOM 379 CG GLN A 414 15.097 -2.563 -13.879 1.00 0.00 C ATOM 380 CD GLN A 414 16.479 -2.761 -13.287 1.00 0.00 C ATOM 381 OE1 GLN A 414 16.753 -2.333 -12.164 1.00 0.00 O ATOM 382 NE2 GLN A 414 17.358 -3.410 -14.039 1.00 0.00 N ATOM 0 H GLN A 414 14.251 -2.338 -16.336 1.00 0.00 H new ATOM 0 HA GLN A 414 12.764 -4.652 -15.390 1.00 0.00 H new ATOM 0 HB2 GLN A 414 14.266 -4.491 -13.472 1.00 0.00 H new ATOM 0 HB3 GLN A 414 15.186 -4.405 -14.961 1.00 0.00 H new ATOM 0 HG2 GLN A 414 15.162 -1.875 -14.722 1.00 0.00 H new ATOM 0 HG3 GLN A 414 14.451 -2.096 -13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 414 17.088 -3.747 -14.963 1.00 0.00 H new ATOM 0 HE22 GLN A 414 18.304 -3.572 -13.693 1.00 0.00 H new ATOM 391 N MET A 415 11.573 -3.639 -13.310 1.00 0.00 N ATOM 392 CA MET A 415 10.577 -3.048 -12.423 1.00 0.00 C ATOM 393 C MET A 415 10.827 -3.460 -10.976 1.00 0.00 C ATOM 394 O MET A 415 10.809 -4.645 -10.645 1.00 0.00 O ATOM 395 CB MET A 415 9.170 -3.468 -12.851 1.00 0.00 C ATOM 396 CG MET A 415 8.106 -2.424 -12.555 1.00 0.00 C ATOM 397 SD MET A 415 6.433 -3.091 -12.642 1.00 0.00 S ATOM 398 CE MET A 415 5.514 -1.638 -13.144 1.00 0.00 C ATOM 0 H MET A 415 11.779 -4.619 -13.119 1.00 0.00 H new ATOM 0 HA MET A 415 10.661 -1.963 -12.493 1.00 0.00 H new ATOM 0 HB2 MET A 415 9.173 -3.679 -13.920 1.00 0.00 H new ATOM 0 HB3 MET A 415 8.907 -4.396 -12.344 1.00 0.00 H new ATOM 0 HG2 MET A 415 8.276 -2.009 -11.561 1.00 0.00 H new ATOM 0 HG3 MET A 415 8.202 -1.602 -13.264 1.00 0.00 H new ATOM 0 HE1 MET A 415 4.458 -1.891 -13.241 1.00 0.00 H new ATOM 0 HE2 MET A 415 5.633 -0.856 -12.394 1.00 0.00 H new ATOM 0 HE3 MET A 415 5.891 -1.282 -14.103 1.00 0.00 H new ATOM 408 N GLN A 416 11.060 -2.473 -10.116 1.00 0.00 N ATOM 409 CA GLN A 416 11.314 -2.733 -8.704 1.00 0.00 C ATOM 410 C GLN A 416 11.047 -1.486 -7.863 1.00 0.00 C ATOM 411 O GLN A 416 11.919 -0.629 -7.718 1.00 0.00 O ATOM 412 CB GLN A 416 12.759 -3.196 -8.504 1.00 0.00 C ATOM 413 CG GLN A 416 12.928 -4.185 -7.361 1.00 0.00 C ATOM 414 CD GLN A 416 13.040 -3.502 -6.011 1.00 0.00 C ATOM 415 OE1 GLN A 416 14.058 -2.888 -5.696 1.00 0.00 O ATOM 416 NE2 GLN A 416 11.988 -3.607 -5.207 1.00 0.00 N ATOM 0 H GLN A 416 11.078 -1.486 -10.373 1.00 0.00 H new ATOM 0 HA GLN A 416 10.636 -3.521 -8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 416 13.116 -3.655 -9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 416 13.388 -2.326 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 416 12.079 -4.869 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 416 13.820 -4.787 -7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 416 11.164 -4.126 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 416 12.004 -3.168 -4.286 1.00 0.00 H new ATOM 425 N PRO A 417 9.833 -1.367 -7.295 1.00 0.00 N ATOM 426 CA PRO A 417 9.461 -0.214 -6.467 1.00 0.00 C ATOM 427 C PRO A 417 10.218 -0.184 -5.143 1.00 0.00 C ATOM 428 O PRO A 417 10.498 -1.228 -4.552 1.00 0.00 O ATOM 429 CB PRO A 417 7.964 -0.416 -6.223 1.00 0.00 C ATOM 430 CG PRO A 417 7.749 -1.882 -6.372 1.00 0.00 C ATOM 431 CD PRO A 417 8.732 -2.340 -7.414 1.00 0.00 C ATOM 0 HA PRO A 417 9.701 0.731 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 417 7.675 -0.073 -5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 417 7.367 0.146 -6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 417 7.913 -2.399 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 417 6.726 -2.097 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 417 9.073 -3.358 -7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.294 -2.331 -8.412 1.00 0.00 H new ATOM 439 N LEU A 418 10.546 1.018 -4.682 1.00 0.00 N ATOM 440 CA LEU A 418 11.269 1.187 -3.429 1.00 0.00 C ATOM 441 C LEU A 418 10.345 1.699 -2.326 1.00 0.00 C ATOM 442 O LEU A 418 10.631 1.534 -1.139 1.00 0.00 O ATOM 443 CB LEU A 418 12.451 2.145 -3.614 1.00 0.00 C ATOM 444 CG LEU A 418 12.236 3.286 -4.617 1.00 0.00 C ATOM 445 CD1 LEU A 418 12.238 2.765 -6.049 1.00 0.00 C ATOM 446 CD2 LEU A 418 10.949 4.040 -4.311 1.00 0.00 C ATOM 0 H LEU A 418 10.322 1.891 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 418 11.651 0.211 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.697 2.580 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 418 13.318 1.565 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 418 13.068 3.984 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 418 12.084 3.595 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 418 13.196 2.290 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 418 11.436 2.037 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 418 10.818 4.844 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 418 10.103 3.355 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 418 11.004 4.461 -3.307 1.00 0.00 H new ATOM 458 N CYS A 419 9.237 2.316 -2.722 1.00 0.00 N ATOM 459 CA CYS A 419 8.271 2.846 -1.767 1.00 0.00 C ATOM 460 C CYS A 419 6.874 2.881 -2.379 1.00 0.00 C ATOM 461 O CYS A 419 6.716 2.770 -3.594 1.00 0.00 O ATOM 462 CB CYS A 419 8.682 4.249 -1.313 1.00 0.00 C ATOM 463 SG CYS A 419 8.639 5.494 -2.624 1.00 0.00 S ATOM 0 H CYS A 419 8.985 2.462 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 419 8.254 2.187 -0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 419 8.022 4.565 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.691 4.205 -0.902 1.00 0.00 H new ATOM 0 HG CYS A 419 9.000 6.646 -2.141 1.00 0.00 H new ATOM 469 N PHE A 420 5.863 3.034 -1.531 1.00 0.00 N ATOM 470 CA PHE A 420 4.483 3.081 -1.994 1.00 0.00 C ATOM 471 C PHE A 420 3.697 4.165 -1.266 1.00 0.00 C ATOM 472 O PHE A 420 4.000 4.504 -0.123 1.00 0.00 O ATOM 473 CB PHE A 420 3.809 1.724 -1.786 1.00 0.00 C ATOM 474 CG PHE A 420 4.509 0.592 -2.482 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.510 0.509 -3.865 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.165 -0.388 -1.755 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.153 -0.530 -4.509 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.809 -1.429 -2.393 1.00 0.00 C ATOM 479 CZ PHE A 420 5.803 -1.501 -3.772 1.00 0.00 C ATOM 0 H PHE A 420 5.974 3.127 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 420 4.493 3.319 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.763 1.510 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.781 1.780 -2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 420 4.002 1.265 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.173 -0.337 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.148 -0.583 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.317 -2.186 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.306 -2.315 -4.273 1.00 0.00 H new ATOM 489 N ASN A 421 2.685 4.704 -1.937 1.00 0.00 N ATOM 490 CA ASN A 421 1.849 5.749 -1.356 1.00 0.00 C ATOM 491 C ASN A 421 0.385 5.536 -1.723 1.00 0.00 C ATOM 492 O ASN A 421 0.004 5.650 -2.888 1.00 0.00 O ATOM 493 CB ASN A 421 2.315 7.128 -1.831 1.00 0.00 C ATOM 494 CG ASN A 421 2.465 8.113 -0.688 1.00 0.00 C ATOM 495 OD1 ASN A 421 3.496 8.770 -0.551 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.434 8.219 0.141 1.00 0.00 N ATOM 0 H ASN A 421 2.423 4.434 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 421 1.944 5.698 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.269 7.028 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 421 1.600 7.521 -2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.478 8.865 0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.598 7.655 -0.010 1.00 0.00 H new ATOM 503 N CYS A 422 -0.434 5.222 -0.723 1.00 0.00 N ATOM 504 CA CYS A 422 -1.857 4.992 -0.949 1.00 0.00 C ATOM 505 C CYS A 422 -2.606 6.313 -1.114 1.00 0.00 C ATOM 506 O CYS A 422 -2.724 7.086 -0.164 1.00 0.00 O ATOM 507 CB CYS A 422 -2.459 4.204 0.218 1.00 0.00 C ATOM 508 SG CYS A 422 -4.196 3.753 -0.016 1.00 0.00 S ATOM 0 H CYS A 422 -0.138 5.121 0.248 1.00 0.00 H new ATOM 0 HA CYS A 422 -1.961 4.415 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.876 3.296 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.368 4.796 1.128 1.00 0.00 H new ATOM 513 N PRO A 423 -3.131 6.595 -2.321 1.00 0.00 N ATOM 514 CA PRO A 423 -3.876 7.828 -2.588 1.00 0.00 C ATOM 515 C PRO A 423 -5.275 7.798 -1.981 1.00 0.00 C ATOM 516 O PRO A 423 -6.015 8.780 -2.056 1.00 0.00 O ATOM 517 CB PRO A 423 -3.961 7.889 -4.123 1.00 0.00 C ATOM 518 CG PRO A 423 -3.122 6.756 -4.629 1.00 0.00 C ATOM 519 CD PRO A 423 -3.053 5.751 -3.517 1.00 0.00 C ATOM 0 HA PRO A 423 -3.386 8.696 -2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.993 7.791 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.592 8.844 -4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.562 6.316 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -2.125 7.102 -4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.875 5.037 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.128 5.175 -3.548 1.00 0.00 H new ATOM 527 N ILE A 424 -5.634 6.666 -1.386 1.00 0.00 N ATOM 528 CA ILE A 424 -6.944 6.505 -0.772 1.00 0.00 C ATOM 529 C ILE A 424 -6.889 6.766 0.732 1.00 0.00 C ATOM 530 O ILE A 424 -7.873 7.200 1.331 1.00 0.00 O ATOM 531 CB ILE A 424 -7.495 5.087 -1.024 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.723 4.864 -2.521 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.784 4.865 -0.247 1.00 0.00 C ATOM 534 CD1 ILE A 424 -6.638 4.040 -3.180 1.00 0.00 C ATOM 0 H ILE A 424 -5.033 5.845 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.608 7.238 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.759 4.363 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.683 4.368 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.787 5.831 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.156 3.859 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.591 4.983 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.530 5.594 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -6.864 3.922 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -5.679 4.545 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -6.589 3.059 -2.708 1.00 0.00 H new ATOM 546 N CYS A 425 -5.740 6.488 1.339 1.00 0.00 N ATOM 547 CA CYS A 425 -5.570 6.682 2.776 1.00 0.00 C ATOM 548 C CYS A 425 -4.371 7.575 3.094 1.00 0.00 C ATOM 549 O CYS A 425 -4.162 7.953 4.247 1.00 0.00 O ATOM 550 CB CYS A 425 -5.411 5.328 3.466 1.00 0.00 C ATOM 551 SG CYS A 425 -6.724 4.154 3.066 1.00 0.00 S ATOM 0 H CYS A 425 -4.914 6.128 0.860 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.462 7.184 3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.451 4.896 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.387 5.480 4.545 1.00 0.00 H new ATOM 556 N ASP A 426 -3.585 7.910 2.074 1.00 0.00 N ATOM 557 CA ASP A 426 -2.411 8.756 2.260 1.00 0.00 C ATOM 558 C ASP A 426 -1.384 8.073 3.157 1.00 0.00 C ATOM 559 O ASP A 426 -0.708 8.725 3.953 1.00 0.00 O ATOM 560 CB ASP A 426 -2.816 10.106 2.857 1.00 0.00 C ATOM 561 CG ASP A 426 -3.057 11.160 1.794 1.00 0.00 C ATOM 562 OD1 ASP A 426 -2.072 11.625 1.186 1.00 0.00 O ATOM 563 OD2 ASP A 426 -4.232 11.521 1.572 1.00 0.00 O ATOM 0 H ASP A 426 -3.740 7.609 1.112 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.957 8.923 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.721 9.980 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.034 10.450 3.535 1.00 0.00 H new ATOM 568 N LYS A 427 -1.273 6.756 3.021 1.00 0.00 N ATOM 569 CA LYS A 427 -0.328 5.982 3.817 1.00 0.00 C ATOM 570 C LYS A 427 0.832 5.491 2.958 1.00 0.00 C ATOM 571 O LYS A 427 0.633 5.039 1.830 1.00 0.00 O ATOM 572 CB LYS A 427 -1.033 4.792 4.470 1.00 0.00 C ATOM 573 CG LYS A 427 -1.897 5.174 5.661 1.00 0.00 C ATOM 574 CD LYS A 427 -2.642 3.970 6.220 1.00 0.00 C ATOM 575 CE LYS A 427 -2.460 3.848 7.725 1.00 0.00 C ATOM 576 NZ LYS A 427 -3.645 4.355 8.471 1.00 0.00 N ATOM 0 H LYS A 427 -1.826 6.202 2.367 1.00 0.00 H new ATOM 0 HA LYS A 427 0.070 6.632 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -1.655 4.296 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.284 4.069 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -1.272 5.610 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -2.613 5.939 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -3.703 4.058 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -2.283 3.062 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -2.286 2.804 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -1.574 4.405 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -3.481 4.254 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -3.796 5.358 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -4.486 3.807 8.200 1.00 0.00 H new ATOM 590 N ILE A 428 2.043 5.582 3.496 1.00 0.00 N ATOM 591 CA ILE A 428 3.232 5.147 2.776 1.00 0.00 C ATOM 592 C ILE A 428 3.646 3.742 3.202 1.00 0.00 C ATOM 593 O ILE A 428 3.604 3.405 4.385 1.00 0.00 O ATOM 594 CB ILE A 428 4.415 6.109 3.002 1.00 0.00 C ATOM 595 CG1 ILE A 428 3.980 7.557 2.759 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.581 5.740 2.096 1.00 0.00 C ATOM 597 CD1 ILE A 428 4.448 8.515 3.832 1.00 0.00 C ATOM 0 H ILE A 428 2.226 5.953 4.428 1.00 0.00 H new ATOM 0 HA ILE A 428 2.976 5.145 1.717 1.00 0.00 H new ATOM 0 HB ILE A 428 4.743 6.018 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.366 7.887 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.892 7.596 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.408 6.429 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 428 5.905 4.723 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.267 5.804 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.104 9.522 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 428 4.041 8.209 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 428 5.537 8.505 3.879 1.00 0.00 H new ATOM 609 N PHE A 429 4.044 2.926 2.231 1.00 0.00 N ATOM 610 CA PHE A 429 4.465 1.557 2.509 1.00 0.00 C ATOM 611 C PHE A 429 5.797 1.244 1.826 1.00 0.00 C ATOM 612 O PHE A 429 5.924 1.378 0.608 1.00 0.00 O ATOM 613 CB PHE A 429 3.397 0.569 2.036 1.00 0.00 C ATOM 614 CG PHE A 429 2.041 0.808 2.640 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.777 0.435 3.948 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.031 1.403 1.899 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.530 0.650 4.506 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.216 1.620 2.452 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.467 1.243 3.756 1.00 0.00 C ATOM 0 H PHE A 429 4.084 3.188 1.246 1.00 0.00 H new ATOM 0 HA PHE A 429 4.597 1.457 3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.317 0.627 0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.719 -0.444 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.554 -0.029 4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.222 1.700 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.336 0.355 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.994 2.084 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.442 1.411 4.189 1.00 0.00 H new ATOM 629 N PRO A 430 6.812 0.814 2.600 1.00 0.00 N ATOM 630 CA PRO A 430 8.133 0.477 2.056 1.00 0.00 C ATOM 631 C PRO A 430 8.074 -0.717 1.109 1.00 0.00 C ATOM 632 O PRO A 430 7.144 -1.521 1.167 1.00 0.00 O ATOM 633 CB PRO A 430 8.968 0.142 3.295 1.00 0.00 C ATOM 634 CG PRO A 430 7.974 -0.211 4.347 1.00 0.00 C ATOM 635 CD PRO A 430 6.754 0.616 4.060 1.00 0.00 C ATOM 0 HA PRO A 430 8.549 1.293 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 430 9.648 -0.688 3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.580 0.991 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 430 7.739 -1.275 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.366 0.004 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 430 5.841 0.102 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.777 1.565 4.596 1.00 0.00 H new ATOM 643 N ALA A 431 9.067 -0.824 0.230 1.00 0.00 N ATOM 644 CA ALA A 431 9.121 -1.918 -0.735 1.00 0.00 C ATOM 645 C ALA A 431 9.008 -3.272 -0.041 1.00 0.00 C ATOM 646 O ALA A 431 8.438 -4.214 -0.591 1.00 0.00 O ATOM 647 CB ALA A 431 10.406 -1.844 -1.545 1.00 0.00 C ATOM 0 H ALA A 431 9.845 -0.167 0.166 1.00 0.00 H new ATOM 0 HA ALA A 431 8.272 -1.815 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.433 -2.666 -2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.445 -0.895 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.263 -1.918 -0.875 1.00 0.00 H new ATOM 653 N THR A 432 9.540 -3.362 1.173 1.00 0.00 N ATOM 654 CA THR A 432 9.482 -4.601 1.940 1.00 0.00 C ATOM 655 C THR A 432 8.064 -4.855 2.435 1.00 0.00 C ATOM 656 O THR A 432 7.672 -5.999 2.664 1.00 0.00 O ATOM 657 CB THR A 432 10.451 -4.545 3.123 1.00 0.00 C ATOM 658 OG1 THR A 432 10.353 -5.721 3.906 1.00 0.00 O ATOM 659 CG2 THR A 432 10.211 -3.363 4.038 1.00 0.00 C ATOM 0 H THR A 432 10.015 -2.594 1.646 1.00 0.00 H new ATOM 0 HA THR A 432 9.776 -5.422 1.287 1.00 0.00 H new ATOM 0 HB THR A 432 11.442 -4.446 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 432 10.981 -5.668 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 432 10.932 -3.383 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 432 10.327 -2.437 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 432 9.201 -3.416 4.444 1.00 0.00 H new ATOM 667 N GLU A 433 7.294 -3.780 2.587 1.00 0.00 N ATOM 668 CA GLU A 433 5.915 -3.891 3.040 1.00 0.00 C ATOM 669 C GLU A 433 4.960 -3.985 1.853 1.00 0.00 C ATOM 670 O GLU A 433 3.756 -3.780 1.999 1.00 0.00 O ATOM 671 CB GLU A 433 5.542 -2.693 3.914 1.00 0.00 C ATOM 672 CG GLU A 433 5.942 -2.855 5.372 1.00 0.00 C ATOM 673 CD GLU A 433 5.216 -1.889 6.286 1.00 0.00 C ATOM 674 OE1 GLU A 433 5.684 -0.739 6.428 1.00 0.00 O ATOM 675 OE2 GLU A 433 4.177 -2.280 6.860 1.00 0.00 O ATOM 0 H GLU A 433 7.603 -2.826 2.403 1.00 0.00 H new ATOM 0 HA GLU A 433 5.826 -4.803 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 433 6.018 -1.799 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.465 -2.533 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 433 5.734 -3.877 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 433 7.017 -2.703 5.469 1.00 0.00 H new ATOM 682 N LYS A 434 5.501 -4.303 0.677 1.00 0.00 N ATOM 683 CA LYS A 434 4.689 -4.429 -0.527 1.00 0.00 C ATOM 684 C LYS A 434 3.557 -5.420 -0.299 1.00 0.00 C ATOM 685 O LYS A 434 2.458 -5.259 -0.829 1.00 0.00 O ATOM 686 CB LYS A 434 5.551 -4.878 -1.708 1.00 0.00 C ATOM 687 CG LYS A 434 4.880 -4.688 -3.058 1.00 0.00 C ATOM 688 CD LYS A 434 5.876 -4.813 -4.199 1.00 0.00 C ATOM 689 CE LYS A 434 6.008 -6.254 -4.667 1.00 0.00 C ATOM 690 NZ LYS A 434 6.714 -7.102 -3.668 1.00 0.00 N ATOM 0 H LYS A 434 6.496 -4.477 0.535 1.00 0.00 H new ATOM 0 HA LYS A 434 4.261 -3.454 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.488 -4.321 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 434 5.804 -5.931 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 434 4.090 -5.429 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.405 -3.708 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 434 5.557 -4.186 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 434 6.849 -4.443 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 434 5.017 -6.666 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 434 6.550 -6.280 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 7.238 -7.854 -4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 7.378 -6.516 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 6.019 -7.529 -3.023 1.00 0.00 H new ATOM 704 N GLN A 435 3.832 -6.441 0.505 1.00 0.00 N ATOM 705 CA GLN A 435 2.833 -7.453 0.820 1.00 0.00 C ATOM 706 C GLN A 435 1.681 -6.819 1.594 1.00 0.00 C ATOM 707 O GLN A 435 0.508 -6.982 1.241 1.00 0.00 O ATOM 708 CB GLN A 435 3.460 -8.585 1.642 1.00 0.00 C ATOM 709 CG GLN A 435 4.900 -8.902 1.259 1.00 0.00 C ATOM 710 CD GLN A 435 5.353 -10.257 1.767 1.00 0.00 C ATOM 711 OE1 GLN A 435 5.841 -11.089 1.002 1.00 0.00 O ATOM 712 NE2 GLN A 435 5.192 -10.486 3.066 1.00 0.00 N ATOM 0 H GLN A 435 4.738 -6.589 0.950 1.00 0.00 H new ATOM 0 HA GLN A 435 2.450 -7.872 -0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.426 -8.316 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.856 -9.485 1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 435 4.998 -8.873 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.557 -8.130 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 435 4.783 -9.768 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 435 5.477 -11.380 3.465 1.00 0.00 H new ATOM 721 N ILE A 436 2.029 -6.070 2.636 1.00 0.00 N ATOM 722 CA ILE A 436 1.035 -5.386 3.449 1.00 0.00 C ATOM 723 C ILE A 436 0.379 -4.278 2.642 1.00 0.00 C ATOM 724 O ILE A 436 -0.811 -4.002 2.792 1.00 0.00 O ATOM 725 CB ILE A 436 1.660 -4.785 4.723 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.485 -5.841 5.460 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.574 -4.223 5.630 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.970 -5.747 5.185 1.00 0.00 C ATOM 0 H ILE A 436 2.993 -5.923 2.936 1.00 0.00 H new ATOM 0 HA ILE A 436 0.289 -6.123 3.748 1.00 0.00 H new ATOM 0 HB ILE A 436 2.324 -3.970 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 436 2.315 -5.740 6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 436 2.132 -6.832 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.030 -3.802 6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.026 -3.443 5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.112 -5.021 5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.493 -6.526 5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 436 4.151 -5.878 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.337 -4.770 5.498 1.00 0.00 H new ATOM 740 N PHE A 437 1.166 -3.654 1.769 1.00 0.00 N ATOM 741 CA PHE A 437 0.663 -2.588 0.919 1.00 0.00 C ATOM 742 C PHE A 437 -0.382 -3.139 -0.042 1.00 0.00 C ATOM 743 O PHE A 437 -1.450 -2.555 -0.215 1.00 0.00 O ATOM 744 CB PHE A 437 1.809 -1.938 0.137 1.00 0.00 C ATOM 745 CG PHE A 437 1.345 -0.970 -0.914 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.331 -0.068 -0.639 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.915 -0.967 -2.176 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.106 0.821 -1.600 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.481 -0.081 -3.145 1.00 0.00 C ATOM 750 CZ PHE A 437 0.469 0.813 -2.855 1.00 0.00 C ATOM 0 H PHE A 437 2.154 -3.871 1.635 1.00 0.00 H new ATOM 0 HA PHE A 437 0.201 -1.828 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.465 -1.417 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.404 -2.719 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.124 -0.060 0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.707 -1.664 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.896 1.521 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.932 -0.088 -4.126 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.128 1.506 -3.610 1.00 0.00 H new ATOM 760 N GLU A 438 -0.069 -4.279 -0.655 1.00 0.00 N ATOM 761 CA GLU A 438 -0.988 -4.917 -1.586 1.00 0.00 C ATOM 762 C GLU A 438 -2.300 -5.229 -0.883 1.00 0.00 C ATOM 763 O GLU A 438 -3.380 -4.976 -1.416 1.00 0.00 O ATOM 764 CB GLU A 438 -0.375 -6.201 -2.148 1.00 0.00 C ATOM 765 CG GLU A 438 0.678 -5.955 -3.216 1.00 0.00 C ATOM 766 CD GLU A 438 0.081 -5.476 -4.524 1.00 0.00 C ATOM 767 OE1 GLU A 438 -0.972 -6.011 -4.928 1.00 0.00 O ATOM 768 OE2 GLU A 438 0.666 -4.562 -5.144 1.00 0.00 O ATOM 0 H GLU A 438 0.812 -4.776 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.179 -4.234 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.073 -6.768 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.169 -6.819 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 438 1.391 -5.215 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 438 1.235 -6.876 -3.391 1.00 0.00 H new ATOM 775 N ASP A 439 -2.196 -5.759 0.332 1.00 0.00 N ATOM 776 CA ASP A 439 -3.377 -6.078 1.121 1.00 0.00 C ATOM 777 C ASP A 439 -4.102 -4.796 1.517 1.00 0.00 C ATOM 778 O ASP A 439 -5.333 -4.750 1.557 1.00 0.00 O ATOM 779 CB ASP A 439 -2.986 -6.870 2.371 1.00 0.00 C ATOM 780 CG ASP A 439 -4.178 -7.543 3.023 1.00 0.00 C ATOM 781 OD1 ASP A 439 -4.961 -6.841 3.698 1.00 0.00 O ATOM 782 OD2 ASP A 439 -4.328 -8.772 2.861 1.00 0.00 O ATOM 0 H ASP A 439 -1.310 -5.975 0.788 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.046 -6.691 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.247 -7.625 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -2.512 -6.201 3.089 1.00 0.00 H new ATOM 787 N HIS A 440 -3.324 -3.755 1.805 1.00 0.00 N ATOM 788 CA HIS A 440 -3.881 -2.465 2.198 1.00 0.00 C ATOM 789 C HIS A 440 -4.695 -1.854 1.062 1.00 0.00 C ATOM 790 O HIS A 440 -5.822 -1.401 1.269 1.00 0.00 O ATOM 791 CB HIS A 440 -2.757 -1.510 2.605 1.00 0.00 C ATOM 792 CG HIS A 440 -3.238 -0.160 3.032 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.827 0.096 4.249 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.203 1.029 2.376 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.125 1.402 4.295 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.763 2.012 3.184 1.00 0.00 N ATOM 0 H HIS A 440 -2.305 -3.781 1.773 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.544 -2.625 3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.190 -1.958 3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.071 -1.393 1.766 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -4.005 -0.587 4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.804 1.186 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.600 1.891 5.133 1.00 0.00 H new ATOM 804 N VAL A 441 -4.127 -1.850 -0.142 1.00 0.00 N ATOM 805 CA VAL A 441 -4.819 -1.301 -1.302 1.00 0.00 C ATOM 806 C VAL A 441 -6.021 -2.164 -1.662 1.00 0.00 C ATOM 807 O VAL A 441 -7.041 -1.663 -2.135 1.00 0.00 O ATOM 808 CB VAL A 441 -3.897 -1.192 -2.538 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.413 -0.126 -3.490 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.463 -0.889 -2.129 1.00 0.00 C ATOM 0 H VAL A 441 -3.196 -2.218 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.143 -0.298 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.904 -2.154 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.753 -0.061 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.419 -0.388 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.438 0.837 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.838 -0.818 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.431 0.056 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.091 -1.688 -1.487 1.00 0.00 H new ATOM 820 N PHE A 442 -5.894 -3.467 -1.427 1.00 0.00 N ATOM 821 CA PHE A 442 -6.969 -4.407 -1.719 1.00 0.00 C ATOM 822 C PHE A 442 -8.199 -4.098 -0.873 1.00 0.00 C ATOM 823 O PHE A 442 -9.324 -4.106 -1.371 1.00 0.00 O ATOM 824 CB PHE A 442 -6.503 -5.843 -1.463 1.00 0.00 C ATOM 825 CG PHE A 442 -6.224 -6.616 -2.719 1.00 0.00 C ATOM 826 CD1 PHE A 442 -5.178 -6.255 -3.553 1.00 0.00 C ATOM 827 CD2 PHE A 442 -7.007 -7.704 -3.066 1.00 0.00 C ATOM 828 CE1 PHE A 442 -4.919 -6.966 -4.710 1.00 0.00 C ATOM 829 CE2 PHE A 442 -6.754 -8.419 -4.221 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.708 -8.049 -5.044 1.00 0.00 C ATOM 0 H PHE A 442 -5.056 -3.895 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.237 -4.304 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.601 -5.820 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.265 -6.366 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -4.558 -5.409 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -7.826 -7.997 -2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -4.101 -6.675 -5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -7.373 -9.265 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.508 -8.606 -5.947 1.00 0.00 H new ATOM 840 N CYS A 443 -7.976 -3.822 0.409 1.00 0.00 N ATOM 841 CA CYS A 443 -9.070 -3.508 1.324 1.00 0.00 C ATOM 842 C CYS A 443 -9.911 -2.356 0.787 1.00 0.00 C ATOM 843 O CYS A 443 -11.117 -2.286 1.028 1.00 0.00 O ATOM 844 CB CYS A 443 -8.519 -3.149 2.707 1.00 0.00 C ATOM 845 SG CYS A 443 -9.701 -3.383 4.054 1.00 0.00 S ATOM 0 H CYS A 443 -7.050 -3.809 0.837 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.704 -4.390 1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.635 -3.756 2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.195 -2.108 2.699 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.144 -3.056 5.182 1.00 0.00 H new ATOM 851 N HIS A 444 -9.265 -1.456 0.058 1.00 0.00 N ATOM 852 CA HIS A 444 -9.945 -0.303 -0.521 1.00 0.00 C ATOM 853 C HIS A 444 -10.707 -0.692 -1.786 1.00 0.00 C ATOM 854 O HIS A 444 -11.618 0.016 -2.213 1.00 0.00 O ATOM 855 CB HIS A 444 -8.933 0.800 -0.830 1.00 0.00 C ATOM 856 CG HIS A 444 -7.934 1.009 0.266 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.239 0.917 1.605 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.610 1.301 0.202 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.117 1.150 2.298 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.100 1.387 1.493 1.00 0.00 N ATOM 0 H HIS A 444 -8.267 -1.502 -0.148 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.667 0.068 0.206 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.405 0.552 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.466 1.734 -1.009 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.156 0.708 1.999 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.043 1.444 -0.706 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.053 1.144 3.376 1.00 0.00 H new ATOM 868 N SER A 445 -10.329 -1.820 -2.383 1.00 0.00 N ATOM 869 CA SER A 445 -10.980 -2.297 -3.597 1.00 0.00 C ATOM 870 C SER A 445 -12.036 -3.356 -3.283 1.00 0.00 C ATOM 871 O SER A 445 -12.876 -3.674 -4.125 1.00 0.00 O ATOM 872 CB SER A 445 -9.941 -2.870 -4.564 1.00 0.00 C ATOM 873 OG SER A 445 -9.412 -1.857 -5.403 1.00 0.00 O ATOM 0 H SER A 445 -9.576 -2.419 -2.045 1.00 0.00 H new ATOM 0 HA SER A 445 -11.479 -1.447 -4.064 1.00 0.00 H new ATOM 0 HB2 SER A 445 -9.134 -3.338 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 445 -10.398 -3.650 -5.174 1.00 0.00 H new ATOM 0 HG SER A 445 -8.750 -2.248 -6.010 1.00 0.00 H new ATOM 879 N LEU A 446 -11.992 -3.901 -2.069 1.00 0.00 N ATOM 880 CA LEU A 446 -12.949 -4.921 -1.657 1.00 0.00 C ATOM 881 C LEU A 446 -14.102 -4.300 -0.875 1.00 0.00 C ATOM 882 O LEU A 446 -15.261 -4.697 -1.116 1.00 0.00 O ATOM 883 CB LEU A 446 -12.259 -5.991 -0.806 1.00 0.00 C ATOM 884 CG LEU A 446 -11.109 -6.731 -1.495 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.631 -7.891 -0.636 1.00 0.00 C ATOM 886 CD2 LEU A 446 -11.539 -7.226 -2.868 1.00 0.00 C ATOM 887 OXT LEU A 446 -13.836 -3.422 -0.027 1.00 0.00 O ATOM 0 H LEU A 446 -11.305 -3.653 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.351 -5.388 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -11.876 -5.521 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -13.005 -6.722 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.281 -6.034 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.814 -8.405 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.283 -7.513 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.454 -8.588 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -10.709 -7.749 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -12.384 -7.907 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -11.833 -6.377 -3.485 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.055 3.051 2.051 1.00 0.00 ZN