USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 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 400 CYS SG : rot 177:sc= -0.546 USER MOD Set 1.2: A 408 HIS : no HE2:sc= -0.29 K(o=-0.84,f=-5.6!) USER MOD Single : A 390 SER OG : rot 37:sc= 0.0539 USER MOD Single : A 393 SER OG : rot 69:sc= 1.22 USER MOD Single : A 395 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0419) USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 CYS SG : rot 180:sc= -0.849 USER MOD Single : A 401 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0382) USER MOD Single : A 406 CYS SG : rot 180:sc= 0 USER MOD Single : A 409 THR OG1 : rot 177:sc= -0.166 USER MOD Single : A 412 GLN : amide:sc= -0.178 K(o=-0.18,f=-3.4!) USER MOD Single : A 413 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 414 GLN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 416 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.89) USER MOD Single : A 419 CYS SG : rot 180:sc= 0.00177 USER MOD Single : A 421 ASN : amide:sc= -0.227 X(o=-0.23,f=0) 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+ 180:sc= 0 (180deg=0) 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 12.699 16.521 -36.884 1.00 0.00 N ATOM 2 CA SER A 390 12.512 17.631 -35.913 1.00 0.00 C ATOM 3 C SER A 390 11.426 18.597 -36.382 1.00 0.00 C ATOM 4 O SER A 390 11.708 19.559 -37.096 1.00 0.00 O ATOM 5 CB SER A 390 13.842 18.368 -35.753 1.00 0.00 C ATOM 6 OG SER A 390 14.843 17.510 -35.233 1.00 0.00 O ATOM 0 HA SER A 390 12.193 17.219 -34.955 1.00 0.00 H new ATOM 0 HB2 SER A 390 14.162 18.761 -36.718 1.00 0.00 H new ATOM 0 HB3 SER A 390 13.710 19.222 -35.089 1.00 0.00 H new ATOM 0 HG SER A 390 14.725 16.609 -35.601 1.00 0.00 H new ATOM 14 N PRO A 391 10.165 18.351 -35.985 1.00 0.00 N ATOM 15 CA PRO A 391 9.036 19.205 -36.371 1.00 0.00 C ATOM 16 C PRO A 391 9.098 20.579 -35.714 1.00 0.00 C ATOM 17 O PRO A 391 8.662 21.574 -36.292 1.00 0.00 O ATOM 18 CB PRO A 391 7.814 18.429 -35.875 1.00 0.00 C ATOM 19 CG PRO A 391 8.328 17.582 -34.763 1.00 0.00 C ATOM 20 CD PRO A 391 9.741 17.225 -35.134 1.00 0.00 C ATOM 0 HA PRO A 391 9.024 19.403 -37.443 1.00 0.00 H new ATOM 0 HB2 PRO A 391 7.031 19.103 -35.529 1.00 0.00 H new ATOM 0 HB3 PRO A 391 7.383 17.820 -36.669 1.00 0.00 H new ATOM 0 HG2 PRO A 391 8.297 18.121 -33.816 1.00 0.00 H new ATOM 0 HG3 PRO A 391 7.719 16.687 -34.640 1.00 0.00 H new ATOM 0 HD2 PRO A 391 10.375 17.126 -34.253 1.00 0.00 H new ATOM 0 HD3 PRO A 391 9.789 16.277 -35.669 1.00 0.00 H new ATOM 28 N LEU A 392 9.644 20.625 -34.505 1.00 0.00 N ATOM 29 CA LEU A 392 9.763 21.877 -33.767 1.00 0.00 C ATOM 30 C LEU A 392 10.772 21.746 -32.631 1.00 0.00 C ATOM 31 O LEU A 392 11.615 22.620 -32.429 1.00 0.00 O ATOM 32 CB LEU A 392 8.400 22.301 -33.213 1.00 0.00 C ATOM 33 CG LEU A 392 8.027 23.765 -33.458 1.00 0.00 C ATOM 34 CD1 LEU A 392 7.091 23.885 -34.652 1.00 0.00 C ATOM 35 CD2 LEU A 392 7.390 24.371 -32.217 1.00 0.00 C ATOM 0 H LEU A 392 10.012 19.810 -34.014 1.00 0.00 H new ATOM 0 HA LEU A 392 10.119 22.643 -34.456 1.00 0.00 H new ATOM 0 HB2 LEU A 392 7.632 21.667 -33.656 1.00 0.00 H new ATOM 0 HB3 LEU A 392 8.387 22.114 -32.139 1.00 0.00 H new ATOM 0 HG LEU A 392 8.940 24.319 -33.679 1.00 0.00 H new ATOM 0 HD11 LEU A 392 6.837 24.933 -34.811 1.00 0.00 H new ATOM 0 HD12 LEU A 392 7.584 23.492 -35.541 1.00 0.00 H new ATOM 0 HD13 LEU A 392 6.181 23.316 -34.460 1.00 0.00 H new ATOM 0 HD21 LEU A 392 7.132 25.412 -32.412 1.00 0.00 H new ATOM 0 HD22 LEU A 392 6.488 23.815 -31.963 1.00 0.00 H new ATOM 0 HD23 LEU A 392 8.093 24.321 -31.386 1.00 0.00 H new ATOM 47 N SER A 393 10.678 20.647 -31.894 1.00 0.00 N ATOM 48 CA SER A 393 11.579 20.393 -30.775 1.00 0.00 C ATOM 49 C SER A 393 11.257 19.061 -30.107 1.00 0.00 C ATOM 50 O SER A 393 12.156 18.327 -29.697 1.00 0.00 O ATOM 51 CB SER A 393 11.488 21.526 -29.750 1.00 0.00 C ATOM 52 OG SER A 393 12.390 22.572 -30.064 1.00 0.00 O ATOM 0 H SER A 393 9.985 19.915 -32.051 1.00 0.00 H new ATOM 0 HA SER A 393 12.596 20.346 -31.165 1.00 0.00 H new ATOM 0 HB2 SER A 393 10.470 21.915 -29.723 1.00 0.00 H new ATOM 0 HB3 SER A 393 11.708 21.139 -28.755 1.00 0.00 H new ATOM 0 HG SER A 393 12.094 23.025 -30.881 1.00 0.00 H new ATOM 58 N ILE A 394 9.969 18.758 -29.999 1.00 0.00 N ATOM 59 CA ILE A 394 9.525 17.515 -29.381 1.00 0.00 C ATOM 60 C ILE A 394 8.388 16.880 -30.175 1.00 0.00 C ATOM 61 O ILE A 394 7.565 17.579 -30.766 1.00 0.00 O ATOM 62 CB ILE A 394 9.056 17.744 -27.932 1.00 0.00 C ATOM 63 CG1 ILE A 394 7.966 18.817 -27.888 1.00 0.00 C ATOM 64 CG2 ILE A 394 10.232 18.138 -27.050 1.00 0.00 C ATOM 65 CD1 ILE A 394 6.562 18.252 -27.895 1.00 0.00 C ATOM 0 H ILE A 394 9.213 19.357 -30.332 1.00 0.00 H new ATOM 0 HA ILE A 394 10.382 16.842 -29.377 1.00 0.00 H new ATOM 0 HB ILE A 394 8.637 16.813 -27.550 1.00 0.00 H new ATOM 0 HG12 ILE A 394 8.100 19.424 -26.993 1.00 0.00 H new ATOM 0 HG13 ILE A 394 8.086 19.481 -28.744 1.00 0.00 H new ATOM 0 HG21 ILE A 394 9.884 18.296 -26.029 1.00 0.00 H new ATOM 0 HG22 ILE A 394 10.977 17.342 -27.060 1.00 0.00 H new ATOM 0 HG23 ILE A 394 10.678 19.058 -27.428 1.00 0.00 H new ATOM 0 HD11 ILE A 394 5.841 19.069 -27.862 1.00 0.00 H new ATOM 0 HD12 ILE A 394 6.409 17.669 -28.803 1.00 0.00 H new ATOM 0 HD13 ILE A 394 6.423 17.611 -27.025 1.00 0.00 H new ATOM 77 N LYS A 395 8.351 15.552 -30.185 1.00 0.00 N ATOM 78 CA LYS A 395 7.314 14.822 -30.908 1.00 0.00 C ATOM 79 C LYS A 395 7.344 13.340 -30.549 1.00 0.00 C ATOM 80 O LYS A 395 8.278 12.623 -30.907 1.00 0.00 O ATOM 81 CB LYS A 395 7.496 14.997 -32.417 1.00 0.00 C ATOM 82 CG LYS A 395 6.187 14.993 -33.191 1.00 0.00 C ATOM 83 CD LYS A 395 6.118 13.830 -34.166 1.00 0.00 C ATOM 84 CE LYS A 395 6.765 14.180 -35.497 1.00 0.00 C ATOM 85 NZ LYS A 395 8.186 13.742 -35.556 1.00 0.00 N ATOM 0 H LYS A 395 9.026 14.959 -29.702 1.00 0.00 H new ATOM 0 HA LYS A 395 6.346 15.229 -30.617 1.00 0.00 H new ATOM 0 HB2 LYS A 395 8.017 15.935 -32.606 1.00 0.00 H new ATOM 0 HB3 LYS A 395 8.134 14.197 -32.793 1.00 0.00 H new ATOM 0 HG2 LYS A 395 5.351 14.934 -32.494 1.00 0.00 H new ATOM 0 HG3 LYS A 395 6.082 15.932 -33.735 1.00 0.00 H new ATOM 0 HD2 LYS A 395 6.617 12.962 -33.735 1.00 0.00 H new ATOM 0 HD3 LYS A 395 5.077 13.551 -34.328 1.00 0.00 H new ATOM 0 HE2 LYS A 395 6.207 13.710 -36.307 1.00 0.00 H new ATOM 0 HE3 LYS A 395 6.710 15.257 -35.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 8.556 13.891 -36.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 8.748 14.296 -34.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 8.248 12.733 -35.314 1.00 0.00 H new ATOM 99 N LYS A 396 6.315 12.889 -29.840 1.00 0.00 N ATOM 100 CA LYS A 396 6.223 11.490 -29.432 1.00 0.00 C ATOM 101 C LYS A 396 5.311 10.708 -30.371 1.00 0.00 C ATOM 102 O LYS A 396 4.130 11.028 -30.516 1.00 0.00 O ATOM 103 CB LYS A 396 5.707 11.391 -27.994 1.00 0.00 C ATOM 104 CG LYS A 396 6.510 10.439 -27.124 1.00 0.00 C ATOM 105 CD LYS A 396 6.419 9.008 -27.628 1.00 0.00 C ATOM 106 CE LYS A 396 7.159 8.044 -26.714 1.00 0.00 C ATOM 107 NZ LYS A 396 8.420 7.550 -27.331 1.00 0.00 N ATOM 0 H LYS A 396 5.534 13.470 -29.536 1.00 0.00 H new ATOM 0 HA LYS A 396 7.221 11.055 -29.482 1.00 0.00 H new ATOM 0 HB2 LYS A 396 5.722 12.383 -27.542 1.00 0.00 H new ATOM 0 HB3 LYS A 396 4.667 11.064 -28.012 1.00 0.00 H new ATOM 0 HG2 LYS A 396 7.553 10.754 -27.107 1.00 0.00 H new ATOM 0 HG3 LYS A 396 6.145 10.488 -26.098 1.00 0.00 H new ATOM 0 HD2 LYS A 396 5.372 8.712 -27.698 1.00 0.00 H new ATOM 0 HD3 LYS A 396 6.835 8.949 -28.634 1.00 0.00 H new ATOM 0 HE2 LYS A 396 7.387 8.541 -25.771 1.00 0.00 H new ATOM 0 HE3 LYS A 396 6.513 7.197 -26.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 8.894 6.896 -26.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 8.201 7.053 -28.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 9.047 8.355 -27.531 1.00 0.00 H new ATOM 121 N CYS A 397 5.865 9.680 -31.005 1.00 0.00 N ATOM 122 CA CYS A 397 5.102 8.850 -31.930 1.00 0.00 C ATOM 123 C CYS A 397 4.321 7.779 -31.179 1.00 0.00 C ATOM 124 O CYS A 397 4.852 7.133 -30.275 1.00 0.00 O ATOM 125 CB CYS A 397 6.035 8.198 -32.953 1.00 0.00 C ATOM 126 SG CYS A 397 5.192 7.151 -34.163 1.00 0.00 S ATOM 0 H CYS A 397 6.840 9.402 -30.895 1.00 0.00 H new ATOM 0 HA CYS A 397 4.393 9.490 -32.455 1.00 0.00 H new ATOM 0 HB2 CYS A 397 6.579 8.980 -33.482 1.00 0.00 H new ATOM 0 HB3 CYS A 397 6.775 7.598 -32.423 1.00 0.00 H new ATOM 0 HG CYS A 397 6.065 6.648 -34.984 1.00 0.00 H new ATOM 132 N PRO A 398 3.043 7.570 -31.542 1.00 0.00 N ATOM 133 CA PRO A 398 2.201 6.566 -30.891 1.00 0.00 C ATOM 134 C PRO A 398 2.787 5.166 -31.015 1.00 0.00 C ATOM 135 O PRO A 398 3.211 4.749 -32.093 1.00 0.00 O ATOM 136 CB PRO A 398 0.866 6.659 -31.641 1.00 0.00 C ATOM 137 CG PRO A 398 1.181 7.362 -32.918 1.00 0.00 C ATOM 138 CD PRO A 398 2.322 8.285 -32.607 1.00 0.00 C ATOM 0 HA PRO A 398 2.106 6.748 -29.820 1.00 0.00 H new ATOM 0 HB2 PRO A 398 0.451 5.669 -31.829 1.00 0.00 H new ATOM 0 HB3 PRO A 398 0.126 7.210 -31.061 1.00 0.00 H new ATOM 0 HG2 PRO A 398 1.454 6.652 -33.698 1.00 0.00 H new ATOM 0 HG3 PRO A 398 0.317 7.918 -33.282 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.954 8.454 -33.479 1.00 0.00 H new ATOM 0 HD3 PRO A 398 1.972 9.262 -32.272 1.00 0.00 H new ATOM 146 N ILE A 399 2.809 4.448 -29.901 1.00 0.00 N ATOM 147 CA ILE A 399 3.343 3.093 -29.873 1.00 0.00 C ATOM 148 C ILE A 399 2.223 2.057 -29.862 1.00 0.00 C ATOM 149 O ILE A 399 2.354 0.993 -29.257 1.00 0.00 O ATOM 150 CB ILE A 399 4.244 2.871 -28.643 1.00 0.00 C ATOM 151 CG1 ILE A 399 3.507 3.274 -27.364 1.00 0.00 C ATOM 152 CG2 ILE A 399 5.538 3.660 -28.786 1.00 0.00 C ATOM 153 CD1 ILE A 399 4.176 2.780 -26.100 1.00 0.00 C ATOM 0 H ILE A 399 2.462 4.782 -29.002 1.00 0.00 H new ATOM 0 HA ILE A 399 3.937 2.970 -30.778 1.00 0.00 H new ATOM 0 HB ILE A 399 4.492 1.811 -28.578 1.00 0.00 H new ATOM 0 HG12 ILE A 399 3.432 4.361 -27.325 1.00 0.00 H new ATOM 0 HG13 ILE A 399 2.489 2.885 -27.403 1.00 0.00 H new ATOM 0 HG21 ILE A 399 6.164 3.493 -27.910 1.00 0.00 H new ATOM 0 HG22 ILE A 399 6.068 3.330 -29.679 1.00 0.00 H new ATOM 0 HG23 ILE A 399 5.309 4.722 -28.872 1.00 0.00 H new ATOM 0 HD11 ILE A 399 3.599 3.103 -25.233 1.00 0.00 H new ATOM 0 HD12 ILE A 399 4.227 1.691 -26.117 1.00 0.00 H new ATOM 0 HD13 ILE A 399 5.184 3.190 -26.038 1.00 0.00 H new ATOM 165 N CYS A 400 1.122 2.376 -30.535 1.00 0.00 N ATOM 166 CA CYS A 400 -0.020 1.472 -30.602 1.00 0.00 C ATOM 167 C CYS A 400 -0.941 1.843 -31.760 1.00 0.00 C ATOM 168 O CYS A 400 -1.381 0.979 -32.518 1.00 0.00 O ATOM 169 CB CYS A 400 -0.798 1.502 -29.285 1.00 0.00 C ATOM 170 SG CYS A 400 -0.260 0.263 -28.083 1.00 0.00 S ATOM 0 H CYS A 400 0.997 3.253 -31.041 1.00 0.00 H new ATOM 0 HA CYS A 400 0.356 0.463 -30.771 1.00 0.00 H new ATOM 0 HB2 CYS A 400 -0.700 2.492 -28.839 1.00 0.00 H new ATOM 0 HB3 CYS A 400 -1.857 1.352 -29.497 1.00 0.00 H new ATOM 0 HG CYS A 400 -0.934 0.406 -26.981 1.00 0.00 H new ATOM 176 N LYS A 401 -1.230 3.134 -31.890 1.00 0.00 N ATOM 177 CA LYS A 401 -2.100 3.617 -32.957 1.00 0.00 C ATOM 178 C LYS A 401 -1.515 3.291 -34.328 1.00 0.00 C ATOM 179 O LYS A 401 -2.249 3.112 -35.300 1.00 0.00 O ATOM 180 CB LYS A 401 -2.312 5.126 -32.828 1.00 0.00 C ATOM 181 CG LYS A 401 -3.483 5.500 -31.930 1.00 0.00 C ATOM 182 CD LYS A 401 -3.812 6.979 -32.036 1.00 0.00 C ATOM 183 CE LYS A 401 -4.879 7.240 -33.087 1.00 0.00 C ATOM 184 NZ LYS A 401 -4.293 7.741 -34.361 1.00 0.00 N ATOM 0 H LYS A 401 -0.875 3.863 -31.271 1.00 0.00 H new ATOM 0 HA LYS A 401 -3.061 3.112 -32.862 1.00 0.00 H new ATOM 0 HB2 LYS A 401 -1.403 5.580 -32.434 1.00 0.00 H new ATOM 0 HB3 LYS A 401 -2.476 5.548 -33.820 1.00 0.00 H new ATOM 0 HG2 LYS A 401 -4.357 4.910 -32.205 1.00 0.00 H new ATOM 0 HG3 LYS A 401 -3.244 5.252 -30.896 1.00 0.00 H new ATOM 0 HD2 LYS A 401 -4.155 7.346 -31.069 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -2.909 7.536 -32.287 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -5.432 6.321 -33.279 1.00 0.00 H new ATOM 0 HE3 LYS A 401 -5.594 7.969 -32.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -5.055 8.066 -34.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -3.649 8.533 -34.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -3.765 6.975 -34.825 1.00 0.00 H new ATOM 198 N ALA A 402 -0.190 3.214 -34.399 1.00 0.00 N ATOM 199 CA ALA A 402 0.491 2.908 -35.650 1.00 0.00 C ATOM 200 C ALA A 402 0.119 1.516 -36.151 1.00 0.00 C ATOM 201 O ALA A 402 0.082 1.269 -37.358 1.00 0.00 O ATOM 202 CB ALA A 402 1.997 3.022 -35.473 1.00 0.00 C ATOM 0 H ALA A 402 0.433 3.359 -33.604 1.00 0.00 H new ATOM 0 HA ALA A 402 0.169 3.633 -36.397 1.00 0.00 H new ATOM 0 HB1 ALA A 402 2.493 2.791 -36.416 1.00 0.00 H new ATOM 0 HB2 ALA A 402 2.252 4.037 -35.169 1.00 0.00 H new ATOM 0 HB3 ALA A 402 2.328 2.320 -34.707 1.00 0.00 H new ATOM 208 N ASP A 403 -0.156 0.610 -35.219 1.00 0.00 N ATOM 209 CA ASP A 403 -0.526 -0.757 -35.564 1.00 0.00 C ATOM 210 C ASP A 403 -2.040 -0.962 -35.485 1.00 0.00 C ATOM 211 O ASP A 403 -2.551 -2.001 -35.898 1.00 0.00 O ATOM 212 CB ASP A 403 0.181 -1.748 -34.637 1.00 0.00 C ATOM 213 CG ASP A 403 0.451 -3.080 -35.310 1.00 0.00 C ATOM 214 OD1 ASP A 403 -0.487 -3.640 -35.914 1.00 0.00 O ATOM 215 OD2 ASP A 403 1.600 -3.563 -35.230 1.00 0.00 O ATOM 0 H ASP A 403 -0.129 0.799 -34.217 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.211 -0.937 -36.592 1.00 0.00 H new ATOM 0 HB2 ASP A 403 1.124 -1.317 -34.300 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -0.430 -1.910 -33.749 1.00 0.00 H new ATOM 220 N ASP A 404 -2.748 0.038 -34.949 1.00 0.00 N ATOM 221 CA ASP A 404 -4.208 -0.015 -34.808 1.00 0.00 C ATOM 222 C ASP A 404 -4.624 -0.735 -33.525 1.00 0.00 C ATOM 223 O ASP A 404 -5.736 -0.544 -33.034 1.00 0.00 O ATOM 224 CB ASP A 404 -4.860 -0.693 -36.021 1.00 0.00 C ATOM 225 CG ASP A 404 -4.258 -0.234 -37.335 1.00 0.00 C ATOM 226 OD1 ASP A 404 -3.607 0.832 -37.350 1.00 0.00 O ATOM 227 OD2 ASP A 404 -4.438 -0.940 -38.349 1.00 0.00 O ATOM 0 H ASP A 404 -2.329 0.901 -34.603 1.00 0.00 H new ATOM 0 HA ASP A 404 -4.558 1.016 -34.753 1.00 0.00 H new ATOM 0 HB2 ASP A 404 -4.750 -1.774 -35.932 1.00 0.00 H new ATOM 0 HB3 ASP A 404 -5.929 -0.481 -36.021 1.00 0.00 H new ATOM 232 N ILE A 405 -3.731 -1.559 -32.981 1.00 0.00 N ATOM 233 CA ILE A 405 -4.019 -2.296 -31.756 1.00 0.00 C ATOM 234 C ILE A 405 -2.821 -3.143 -31.333 1.00 0.00 C ATOM 235 O ILE A 405 -2.487 -4.132 -31.984 1.00 0.00 O ATOM 236 CB ILE A 405 -5.253 -3.206 -31.924 1.00 0.00 C ATOM 237 CG1 ILE A 405 -5.599 -3.889 -30.598 1.00 0.00 C ATOM 238 CG2 ILE A 405 -5.011 -4.240 -33.014 1.00 0.00 C ATOM 239 CD1 ILE A 405 -6.260 -2.965 -29.597 1.00 0.00 C ATOM 0 H ILE A 405 -2.804 -1.732 -33.370 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.229 -1.559 -30.981 1.00 0.00 H new ATOM 0 HB ILE A 405 -6.099 -2.588 -32.223 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -6.261 -4.732 -30.795 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -4.688 -4.295 -30.159 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -5.893 -4.873 -33.118 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -4.815 -3.733 -33.959 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -4.152 -4.856 -32.747 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -6.477 -3.516 -28.682 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -5.591 -2.135 -29.371 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -7.189 -2.579 -30.017 1.00 0.00 H new ATOM 251 N CYS A 406 -2.178 -2.745 -30.240 1.00 0.00 N ATOM 252 CA CYS A 406 -1.017 -3.466 -29.732 1.00 0.00 C ATOM 253 C CYS A 406 -1.160 -3.748 -28.239 1.00 0.00 C ATOM 254 O CYS A 406 -2.056 -3.220 -27.580 1.00 0.00 O ATOM 255 CB CYS A 406 0.262 -2.667 -29.997 1.00 0.00 C ATOM 256 SG CYS A 406 1.393 -3.454 -31.166 1.00 0.00 S ATOM 0 H CYS A 406 -2.441 -1.928 -29.690 1.00 0.00 H new ATOM 0 HA CYS A 406 -0.954 -4.420 -30.256 1.00 0.00 H new ATOM 0 HB2 CYS A 406 -0.010 -1.682 -30.377 1.00 0.00 H new ATOM 0 HB3 CYS A 406 0.783 -2.511 -29.052 1.00 0.00 H new ATOM 0 HG CYS A 406 2.442 -2.703 -31.327 1.00 0.00 H new ATOM 262 N ASP A 407 -0.268 -4.581 -27.712 1.00 0.00 N ATOM 263 CA ASP A 407 -0.291 -4.933 -26.297 1.00 0.00 C ATOM 264 C ASP A 407 0.542 -3.951 -25.479 1.00 0.00 C ATOM 265 O ASP A 407 1.740 -4.153 -25.280 1.00 0.00 O ATOM 266 CB ASP A 407 0.233 -6.356 -26.096 1.00 0.00 C ATOM 267 CG ASP A 407 -0.562 -7.124 -25.058 1.00 0.00 C ATOM 268 OD1 ASP A 407 -1.776 -6.865 -24.930 1.00 0.00 O ATOM 269 OD2 ASP A 407 0.031 -7.985 -24.375 1.00 0.00 O ATOM 0 H ASP A 407 0.480 -5.025 -28.244 1.00 0.00 H new ATOM 0 HA ASP A 407 -1.323 -4.881 -25.951 1.00 0.00 H new ATOM 0 HB2 ASP A 407 0.198 -6.891 -27.045 1.00 0.00 H new ATOM 0 HB3 ASP A 407 1.279 -6.315 -25.792 1.00 0.00 H new ATOM 274 N HIS A 408 -0.099 -2.885 -25.009 1.00 0.00 N ATOM 275 CA HIS A 408 0.584 -1.872 -24.214 1.00 0.00 C ATOM 276 C HIS A 408 1.171 -2.480 -22.944 1.00 0.00 C ATOM 277 O HIS A 408 2.272 -2.125 -22.525 1.00 0.00 O ATOM 278 CB HIS A 408 -0.381 -0.737 -23.858 1.00 0.00 C ATOM 279 CG HIS A 408 -0.022 0.572 -24.489 1.00 0.00 C ATOM 280 ND1 HIS A 408 -0.888 1.283 -25.292 1.00 0.00 N ATOM 281 CD2 HIS A 408 1.118 1.300 -24.433 1.00 0.00 C ATOM 282 CE1 HIS A 408 -0.297 2.390 -25.703 1.00 0.00 C ATOM 283 NE2 HIS A 408 0.921 2.425 -25.195 1.00 0.00 N ATOM 0 H HIS A 408 -1.090 -2.701 -25.165 1.00 0.00 H new ATOM 0 HA HIS A 408 1.402 -1.468 -24.810 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -1.388 -1.016 -24.168 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -0.403 -0.615 -22.775 1.00 0.00 H new ATOM 0 HD1 HIS A 408 -1.838 0.998 -25.531 1.00 0.00 H new ATOM 0 HD2 HIS A 408 2.016 1.044 -23.890 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -0.735 3.139 -26.345 1.00 0.00 H new ATOM 292 N THR A 409 0.427 -3.398 -22.335 1.00 0.00 N ATOM 293 CA THR A 409 0.874 -4.056 -21.112 1.00 0.00 C ATOM 294 C THR A 409 1.106 -3.038 -20.000 1.00 0.00 C ATOM 295 O THR A 409 2.160 -2.405 -19.935 1.00 0.00 O ATOM 296 CB THR A 409 2.159 -4.844 -21.373 1.00 0.00 C ATOM 297 OG1 THR A 409 2.281 -5.162 -22.747 1.00 0.00 O ATOM 298 CG2 THR A 409 2.235 -6.138 -20.593 1.00 0.00 C ATOM 0 H THR A 409 -0.488 -3.703 -22.668 1.00 0.00 H new ATOM 0 HA THR A 409 0.092 -4.744 -20.793 1.00 0.00 H new ATOM 0 HB THR A 409 2.970 -4.193 -21.045 1.00 0.00 H new ATOM 0 HG1 THR A 409 3.131 -5.625 -22.901 1.00 0.00 H new ATOM 0 HG21 THR A 409 3.170 -6.648 -20.824 1.00 0.00 H new ATOM 0 HG22 THR A 409 2.193 -5.922 -19.525 1.00 0.00 H new ATOM 0 HG23 THR A 409 1.396 -6.778 -20.867 1.00 0.00 H new ATOM 306 N LEU A 410 0.117 -2.887 -19.126 1.00 0.00 N ATOM 307 CA LEU A 410 0.214 -1.946 -18.016 1.00 0.00 C ATOM 308 C LEU A 410 1.354 -2.330 -17.078 1.00 0.00 C ATOM 309 O LEU A 410 1.988 -1.468 -16.469 1.00 0.00 O ATOM 310 CB LEU A 410 -1.106 -1.898 -17.243 1.00 0.00 C ATOM 311 CG LEU A 410 -2.104 -0.848 -17.733 1.00 0.00 C ATOM 312 CD1 LEU A 410 -2.909 -1.384 -18.907 1.00 0.00 C ATOM 313 CD2 LEU A 410 -3.028 -0.424 -16.601 1.00 0.00 C ATOM 0 H LEU A 410 -0.761 -3.404 -19.165 1.00 0.00 H new ATOM 0 HA LEU A 410 0.421 -0.958 -18.426 1.00 0.00 H new ATOM 0 HB2 LEU A 410 -1.578 -2.879 -17.298 1.00 0.00 H new ATOM 0 HB3 LEU A 410 -0.888 -1.707 -16.192 1.00 0.00 H new ATOM 0 HG LEU A 410 -1.547 0.027 -18.070 1.00 0.00 H new ATOM 0 HD11 LEU A 410 -3.614 -0.623 -19.242 1.00 0.00 H new ATOM 0 HD12 LEU A 410 -2.235 -1.639 -19.724 1.00 0.00 H new ATOM 0 HD13 LEU A 410 -3.456 -2.274 -18.597 1.00 0.00 H new ATOM 0 HD21 LEU A 410 -3.732 0.324 -16.967 1.00 0.00 H new ATOM 0 HD22 LEU A 410 -3.577 -1.292 -16.235 1.00 0.00 H new ATOM 0 HD23 LEU A 410 -2.438 0.000 -15.789 1.00 0.00 H new ATOM 325 N GLU A 411 1.609 -3.629 -16.966 1.00 0.00 N ATOM 326 CA GLU A 411 2.673 -4.128 -16.102 1.00 0.00 C ATOM 327 C GLU A 411 4.037 -3.652 -16.588 1.00 0.00 C ATOM 328 O GLU A 411 4.847 -3.156 -15.805 1.00 0.00 O ATOM 329 CB GLU A 411 2.641 -5.657 -16.052 1.00 0.00 C ATOM 330 CG GLU A 411 1.823 -6.213 -14.898 1.00 0.00 C ATOM 331 CD GLU A 411 2.284 -7.592 -14.468 1.00 0.00 C ATOM 332 OE1 GLU A 411 3.300 -7.682 -13.748 1.00 0.00 O ATOM 333 OE2 GLU A 411 1.628 -8.584 -14.852 1.00 0.00 O ATOM 0 H GLU A 411 1.094 -4.356 -17.463 1.00 0.00 H new ATOM 0 HA GLU A 411 2.508 -3.734 -15.099 1.00 0.00 H new ATOM 0 HB2 GLU A 411 2.233 -6.034 -16.990 1.00 0.00 H new ATOM 0 HB3 GLU A 411 3.662 -6.031 -15.975 1.00 0.00 H new ATOM 0 HG2 GLU A 411 1.888 -5.531 -14.050 1.00 0.00 H new ATOM 0 HG3 GLU A 411 0.774 -6.259 -15.190 1.00 0.00 H new ATOM 340 N GLN A 412 4.284 -3.805 -17.884 1.00 0.00 N ATOM 341 CA GLN A 412 5.552 -3.391 -18.475 1.00 0.00 C ATOM 342 C GLN A 412 5.699 -1.872 -18.437 1.00 0.00 C ATOM 343 O GLN A 412 6.808 -1.348 -18.333 1.00 0.00 O ATOM 344 CB GLN A 412 5.654 -3.888 -19.918 1.00 0.00 C ATOM 345 CG GLN A 412 5.740 -5.401 -20.035 1.00 0.00 C ATOM 346 CD GLN A 412 6.053 -5.859 -21.447 1.00 0.00 C ATOM 347 OE1 GLN A 412 5.263 -6.568 -22.071 1.00 0.00 O ATOM 348 NE2 GLN A 412 7.211 -5.454 -21.958 1.00 0.00 N ATOM 0 H GLN A 412 3.623 -4.213 -18.546 1.00 0.00 H new ATOM 0 HA GLN A 412 6.358 -3.832 -17.889 1.00 0.00 H new ATOM 0 HB2 GLN A 412 4.786 -3.537 -20.477 1.00 0.00 H new ATOM 0 HB3 GLN A 412 6.534 -3.445 -20.385 1.00 0.00 H new ATOM 0 HG2 GLN A 412 6.510 -5.771 -19.358 1.00 0.00 H new ATOM 0 HG3 GLN A 412 4.795 -5.841 -19.715 1.00 0.00 H new ATOM 0 HE21 GLN A 412 7.835 -4.867 -21.405 1.00 0.00 H new ATOM 0 HE22 GLN A 412 7.476 -5.730 -22.904 1.00 0.00 H new ATOM 357 N GLN A 413 4.573 -1.172 -18.524 1.00 0.00 N ATOM 358 CA GLN A 413 4.577 0.287 -18.500 1.00 0.00 C ATOM 359 C GLN A 413 4.911 0.809 -17.107 1.00 0.00 C ATOM 360 O GLN A 413 5.506 1.876 -16.960 1.00 0.00 O ATOM 361 CB GLN A 413 3.218 0.827 -18.948 1.00 0.00 C ATOM 362 CG GLN A 413 3.306 2.137 -19.712 1.00 0.00 C ATOM 363 CD GLN A 413 2.051 2.977 -19.579 1.00 0.00 C ATOM 364 OE1 GLN A 413 2.120 4.191 -19.385 1.00 0.00 O ATOM 365 NE2 GLN A 413 0.895 2.333 -19.683 1.00 0.00 N ATOM 0 H GLN A 413 3.647 -1.590 -18.612 1.00 0.00 H new ATOM 0 HA GLN A 413 5.345 0.635 -19.191 1.00 0.00 H new ATOM 0 HB2 GLN A 413 2.729 0.082 -19.576 1.00 0.00 H new ATOM 0 HB3 GLN A 413 2.586 0.969 -18.071 1.00 0.00 H new ATOM 0 HG2 GLN A 413 4.161 2.708 -19.349 1.00 0.00 H new ATOM 0 HG3 GLN A 413 3.488 1.927 -20.766 1.00 0.00 H new ATOM 0 HE21 GLN A 413 0.885 1.326 -19.844 1.00 0.00 H new ATOM 0 HE22 GLN A 413 0.017 2.845 -19.602 1.00 0.00 H new ATOM 374 N GLN A 414 4.524 0.051 -16.087 1.00 0.00 N ATOM 375 CA GLN A 414 4.783 0.439 -14.705 1.00 0.00 C ATOM 376 C GLN A 414 6.077 -0.188 -14.195 1.00 0.00 C ATOM 377 O GLN A 414 6.428 -1.306 -14.574 1.00 0.00 O ATOM 378 CB GLN A 414 3.614 0.026 -13.809 1.00 0.00 C ATOM 379 CG GLN A 414 3.419 -1.479 -13.718 1.00 0.00 C ATOM 380 CD GLN A 414 2.179 -1.859 -12.932 1.00 0.00 C ATOM 381 OE1 GLN A 414 2.266 -2.271 -11.775 1.00 0.00 O ATOM 382 NE2 GLN A 414 1.015 -1.721 -13.557 1.00 0.00 N ATOM 0 H GLN A 414 4.030 -0.835 -16.191 1.00 0.00 H new ATOM 0 HA GLN A 414 4.890 1.523 -14.674 1.00 0.00 H new ATOM 0 HB2 GLN A 414 3.777 0.424 -12.807 1.00 0.00 H new ATOM 0 HB3 GLN A 414 2.699 0.480 -14.188 1.00 0.00 H new ATOM 0 HG2 GLN A 414 3.349 -1.894 -14.723 1.00 0.00 H new ATOM 0 HG3 GLN A 414 4.294 -1.927 -13.248 1.00 0.00 H new ATOM 0 HE21 GLN A 414 0.989 -1.376 -14.516 1.00 0.00 H new ATOM 0 HE22 GLN A 414 0.147 -1.960 -13.077 1.00 0.00 H new ATOM 391 N MET A 415 6.781 0.538 -13.333 1.00 0.00 N ATOM 392 CA MET A 415 8.036 0.053 -12.771 1.00 0.00 C ATOM 393 C MET A 415 7.808 -0.578 -11.400 1.00 0.00 C ATOM 394 O MET A 415 6.672 -0.850 -11.013 1.00 0.00 O ATOM 395 CB MET A 415 9.046 1.200 -12.662 1.00 0.00 C ATOM 396 CG MET A 415 10.431 0.839 -13.173 1.00 0.00 C ATOM 397 SD MET A 415 11.426 2.292 -13.562 1.00 0.00 S ATOM 398 CE MET A 415 12.276 2.547 -12.006 1.00 0.00 C ATOM 0 H MET A 415 6.504 1.464 -13.008 1.00 0.00 H new ATOM 0 HA MET A 415 8.437 -0.710 -13.438 1.00 0.00 H new ATOM 0 HB2 MET A 415 8.673 2.057 -13.223 1.00 0.00 H new ATOM 0 HB3 MET A 415 9.121 1.509 -11.620 1.00 0.00 H new ATOM 0 HG2 MET A 415 10.947 0.240 -12.422 1.00 0.00 H new ATOM 0 HG3 MET A 415 10.335 0.219 -14.065 1.00 0.00 H new ATOM 0 HE1 MET A 415 12.932 3.414 -12.088 1.00 0.00 H new ATOM 0 HE2 MET A 415 11.545 2.718 -11.216 1.00 0.00 H new ATOM 0 HE3 MET A 415 12.869 1.664 -11.766 1.00 0.00 H new ATOM 408 N GLN A 416 8.895 -0.809 -10.669 1.00 0.00 N ATOM 409 CA GLN A 416 8.811 -1.408 -9.342 1.00 0.00 C ATOM 410 C GLN A 416 9.508 -0.534 -8.302 1.00 0.00 C ATOM 411 O GLN A 416 10.619 -0.839 -7.866 1.00 0.00 O ATOM 412 CB GLN A 416 9.433 -2.805 -9.352 1.00 0.00 C ATOM 413 CG GLN A 416 8.444 -3.909 -9.688 1.00 0.00 C ATOM 414 CD GLN A 416 7.895 -3.792 -11.096 1.00 0.00 C ATOM 415 OE1 GLN A 416 8.633 -3.513 -12.041 1.00 0.00 O ATOM 416 NE2 GLN A 416 6.593 -4.005 -11.243 1.00 0.00 N ATOM 0 H GLN A 416 9.844 -0.590 -10.974 1.00 0.00 H new ATOM 0 HA GLN A 416 7.758 -1.488 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 416 10.248 -2.826 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 416 9.870 -3.006 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 416 8.932 -4.877 -9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 416 7.619 -3.881 -8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 416 6.019 -4.234 -10.432 1.00 0.00 H new ATOM 0 HE22 GLN A 416 6.167 -3.940 -12.167 1.00 0.00 H new ATOM 425 N PRO A 417 8.862 0.570 -7.888 1.00 0.00 N ATOM 426 CA PRO A 417 9.427 1.489 -6.892 1.00 0.00 C ATOM 427 C PRO A 417 9.675 0.803 -5.554 1.00 0.00 C ATOM 428 O PRO A 417 8.967 -0.134 -5.185 1.00 0.00 O ATOM 429 CB PRO A 417 8.353 2.575 -6.744 1.00 0.00 C ATOM 430 CG PRO A 417 7.509 2.460 -7.969 1.00 0.00 C ATOM 431 CD PRO A 417 7.538 1.010 -8.353 1.00 0.00 C ATOM 0 HA PRO A 417 10.397 1.877 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 417 7.761 2.423 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 417 8.802 3.565 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.489 2.792 -7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.899 3.085 -8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 417 6.735 0.450 -7.874 1.00 0.00 H new ATOM 0 HD3 PRO A 417 7.423 0.875 -9.428 1.00 0.00 H new ATOM 439 N LEU A 418 10.689 1.270 -4.831 1.00 0.00 N ATOM 440 CA LEU A 418 11.034 0.695 -3.538 1.00 0.00 C ATOM 441 C LEU A 418 10.079 1.169 -2.442 1.00 0.00 C ATOM 442 O LEU A 418 10.090 0.639 -1.331 1.00 0.00 O ATOM 443 CB LEU A 418 12.471 1.065 -3.174 1.00 0.00 C ATOM 444 CG LEU A 418 13.560 0.343 -3.974 1.00 0.00 C ATOM 445 CD1 LEU A 418 13.946 -0.957 -3.287 1.00 0.00 C ATOM 446 CD2 LEU A 418 13.111 0.076 -5.405 1.00 0.00 C ATOM 0 H LEU A 418 11.285 2.045 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 418 10.944 -0.389 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.597 2.139 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 418 12.624 0.857 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 418 14.434 0.993 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 418 14.721 -1.459 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 418 14.323 -0.742 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 418 13.071 -1.603 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 418 13.906 -0.437 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 418 12.217 -0.548 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 418 12.888 1.022 -5.899 1.00 0.00 H new ATOM 458 N CYS A 419 9.254 2.162 -2.757 1.00 0.00 N ATOM 459 CA CYS A 419 8.297 2.689 -1.793 1.00 0.00 C ATOM 460 C CYS A 419 6.903 2.754 -2.407 1.00 0.00 C ATOM 461 O CYS A 419 6.753 2.782 -3.627 1.00 0.00 O ATOM 462 CB CYS A 419 8.727 4.075 -1.313 1.00 0.00 C ATOM 463 SG CYS A 419 9.277 5.180 -2.636 1.00 0.00 S ATOM 0 H CYS A 419 9.229 2.616 -3.670 1.00 0.00 H new ATOM 0 HA CYS A 419 8.270 2.017 -0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 419 7.892 4.541 -0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.535 3.962 -0.590 1.00 0.00 H new ATOM 0 HG CYS A 419 9.617 6.328 -2.129 1.00 0.00 H new ATOM 469 N PHE A 420 5.886 2.773 -1.554 1.00 0.00 N ATOM 470 CA PHE A 420 4.506 2.827 -2.020 1.00 0.00 C ATOM 471 C PHE A 420 3.731 3.930 -1.310 1.00 0.00 C ATOM 472 O PHE A 420 4.019 4.269 -0.162 1.00 0.00 O ATOM 473 CB PHE A 420 3.822 1.478 -1.796 1.00 0.00 C ATOM 474 CG PHE A 420 4.531 0.335 -2.464 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.520 0.210 -3.843 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.212 -0.611 -1.714 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.174 -0.838 -4.463 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.868 -1.661 -2.327 1.00 0.00 C ATOM 479 CZ PHE A 420 5.850 -1.775 -3.704 1.00 0.00 C ATOM 0 H PHE A 420 5.990 2.752 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 420 4.517 3.051 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.761 1.283 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.799 1.530 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 420 3.994 0.940 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.230 -0.526 -0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.157 -0.925 -5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.394 -2.392 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.363 -2.594 -4.186 1.00 0.00 H new ATOM 489 N ASN A 421 2.743 4.485 -2.003 1.00 0.00 N ATOM 490 CA ASN A 421 1.921 5.551 -1.443 1.00 0.00 C ATOM 491 C ASN A 421 0.457 5.371 -1.832 1.00 0.00 C ATOM 492 O ASN A 421 0.100 5.466 -3.006 1.00 0.00 O ATOM 493 CB ASN A 421 2.426 6.916 -1.917 1.00 0.00 C ATOM 494 CG ASN A 421 2.513 7.923 -0.788 1.00 0.00 C ATOM 495 OD1 ASN A 421 3.483 8.674 -0.684 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.499 7.942 0.069 1.00 0.00 N ATOM 0 H ASN A 421 2.492 4.214 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 421 1.997 5.502 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.409 6.799 -2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 421 1.760 7.298 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.504 8.597 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.715 7.302 -0.055 1.00 0.00 H new ATOM 503 N CYS A 422 -0.386 5.109 -0.839 1.00 0.00 N ATOM 504 CA CYS A 422 -1.811 4.916 -1.078 1.00 0.00 C ATOM 505 C CYS A 422 -2.527 6.258 -1.214 1.00 0.00 C ATOM 506 O CYS A 422 -2.628 7.012 -0.248 1.00 0.00 O ATOM 507 CB CYS A 422 -2.434 4.110 0.066 1.00 0.00 C ATOM 508 SG CYS A 422 -4.201 3.776 -0.140 1.00 0.00 S ATOM 0 H CYS A 422 -0.107 5.025 0.139 1.00 0.00 H new ATOM 0 HA CYS A 422 -1.927 4.365 -2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.905 3.162 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.284 4.651 1.000 1.00 0.00 H new ATOM 513 N PRO A 423 -3.043 6.578 -2.417 1.00 0.00 N ATOM 514 CA PRO A 423 -3.753 7.837 -2.654 1.00 0.00 C ATOM 515 C PRO A 423 -5.165 7.828 -2.076 1.00 0.00 C ATOM 516 O PRO A 423 -5.880 8.829 -2.143 1.00 0.00 O ATOM 517 CB PRO A 423 -3.799 7.928 -4.178 1.00 0.00 C ATOM 518 CG PRO A 423 -3.797 6.511 -4.637 1.00 0.00 C ATOM 519 CD PRO A 423 -2.977 5.743 -3.632 1.00 0.00 C ATOM 0 HA PRO A 423 -3.259 8.682 -2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.691 8.454 -4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -2.940 8.473 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.812 6.118 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.368 6.426 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.387 4.748 -3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -1.950 5.610 -3.971 1.00 0.00 H new ATOM 527 N ILE A 424 -5.562 6.695 -1.510 1.00 0.00 N ATOM 528 CA ILE A 424 -6.884 6.554 -0.922 1.00 0.00 C ATOM 529 C ILE A 424 -6.852 6.828 0.581 1.00 0.00 C ATOM 530 O ILE A 424 -7.837 7.289 1.158 1.00 0.00 O ATOM 531 CB ILE A 424 -7.450 5.140 -1.171 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.672 4.914 -2.668 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.743 4.935 -0.399 1.00 0.00 C ATOM 534 CD1 ILE A 424 -6.582 4.095 -3.324 1.00 0.00 C ATOM 0 H ILE A 424 -4.983 5.858 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.531 7.289 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.724 4.409 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.629 4.413 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.739 5.881 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.125 3.932 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.553 5.055 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.480 5.671 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -6.805 3.975 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -5.625 4.605 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -6.529 3.114 -2.851 1.00 0.00 H new ATOM 546 N CYS A 425 -5.720 6.529 1.210 1.00 0.00 N ATOM 547 CA CYS A 425 -5.570 6.731 2.647 1.00 0.00 C ATOM 548 C CYS A 425 -4.370 7.620 2.974 1.00 0.00 C ATOM 549 O CYS A 425 -4.217 8.071 4.109 1.00 0.00 O ATOM 550 CB CYS A 425 -5.424 5.382 3.347 1.00 0.00 C ATOM 551 SG CYS A 425 -6.737 4.213 2.941 1.00 0.00 S ATOM 0 H CYS A 425 -4.895 6.147 0.749 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.465 7.238 3.007 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.463 4.944 3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.411 5.541 4.425 1.00 0.00 H new ATOM 556 N ASP A 426 -3.517 7.865 1.983 1.00 0.00 N ATOM 557 CA ASP A 426 -2.332 8.695 2.180 1.00 0.00 C ATOM 558 C ASP A 426 -1.341 8.002 3.111 1.00 0.00 C ATOM 559 O ASP A 426 -0.748 8.632 3.986 1.00 0.00 O ATOM 560 CB ASP A 426 -2.723 10.061 2.752 1.00 0.00 C ATOM 561 CG ASP A 426 -1.932 11.195 2.132 1.00 0.00 C ATOM 562 OD1 ASP A 426 -0.761 10.969 1.763 1.00 0.00 O ATOM 563 OD2 ASP A 426 -2.484 12.309 2.014 1.00 0.00 O ATOM 0 H ASP A 426 -3.624 7.501 1.036 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.855 8.844 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.787 10.230 2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.565 10.059 3.831 1.00 0.00 H new ATOM 568 N LYS A 427 -1.171 6.698 2.914 1.00 0.00 N ATOM 569 CA LYS A 427 -0.257 5.911 3.733 1.00 0.00 C ATOM 570 C LYS A 427 0.921 5.408 2.906 1.00 0.00 C ATOM 571 O LYS A 427 0.751 4.966 1.769 1.00 0.00 O ATOM 572 CB LYS A 427 -0.999 4.728 4.361 1.00 0.00 C ATOM 573 CG LYS A 427 -0.658 4.500 5.823 1.00 0.00 C ATOM 574 CD LYS A 427 -1.527 3.412 6.435 1.00 0.00 C ATOM 575 CE LYS A 427 -0.731 2.523 7.377 1.00 0.00 C ATOM 576 NZ LYS A 427 -1.414 2.353 8.690 1.00 0.00 N ATOM 0 H LYS A 427 -1.656 6.164 2.193 1.00 0.00 H new ATOM 0 HA LYS A 427 0.130 6.553 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -2.072 4.894 4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.767 3.824 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 427 0.392 4.222 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -0.791 5.429 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -2.355 3.869 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -1.963 2.804 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -0.582 1.547 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 427 0.257 2.955 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -0.839 1.741 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -1.533 3.282 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -2.347 1.918 8.542 1.00 0.00 H new ATOM 590 N ILE A 428 2.115 5.473 3.485 1.00 0.00 N ATOM 591 CA ILE A 428 3.322 5.019 2.802 1.00 0.00 C ATOM 592 C ILE A 428 3.692 3.606 3.238 1.00 0.00 C ATOM 593 O ILE A 428 3.581 3.261 4.415 1.00 0.00 O ATOM 594 CB ILE A 428 4.513 5.959 3.077 1.00 0.00 C ATOM 595 CG1 ILE A 428 4.114 7.416 2.823 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.706 5.572 2.214 1.00 0.00 C ATOM 597 CD1 ILE A 428 4.556 8.361 3.918 1.00 0.00 C ATOM 0 H ILE A 428 2.273 5.835 4.425 1.00 0.00 H new ATOM 0 HA ILE A 428 3.107 5.026 1.734 1.00 0.00 H new ATOM 0 HB ILE A 428 4.799 5.859 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.544 7.743 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.031 7.475 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.538 6.245 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 428 6.003 4.548 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.433 5.645 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.240 9.375 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 428 4.105 8.059 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 428 5.642 8.331 4.008 1.00 0.00 H new ATOM 609 N PHE A 429 4.127 2.788 2.284 1.00 0.00 N ATOM 610 CA PHE A 429 4.506 1.411 2.578 1.00 0.00 C ATOM 611 C PHE A 429 5.846 1.053 1.930 1.00 0.00 C ATOM 612 O PHE A 429 5.968 1.053 0.706 1.00 0.00 O ATOM 613 CB PHE A 429 3.421 0.450 2.087 1.00 0.00 C ATOM 614 CG PHE A 429 2.069 0.705 2.692 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.793 0.317 3.993 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.071 1.330 1.958 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.550 0.546 4.553 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.174 1.561 2.512 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.434 1.169 3.810 1.00 0.00 C ATOM 0 H PHE A 429 4.225 3.054 1.304 1.00 0.00 H new ATOM 0 HA PHE A 429 4.613 1.317 3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.344 0.526 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.724 -0.572 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.559 -0.171 4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.269 1.639 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.349 0.239 5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.943 2.048 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.406 1.349 4.244 1.00 0.00 H new ATOM 629 N PRO A 430 6.870 0.733 2.745 1.00 0.00 N ATOM 630 CA PRO A 430 8.199 0.363 2.240 1.00 0.00 C ATOM 631 C PRO A 430 8.139 -0.834 1.295 1.00 0.00 C ATOM 632 O PRO A 430 7.187 -1.614 1.330 1.00 0.00 O ATOM 633 CB PRO A 430 8.985 0.005 3.506 1.00 0.00 C ATOM 634 CG PRO A 430 8.265 0.694 4.612 1.00 0.00 C ATOM 635 CD PRO A 430 6.815 0.700 4.218 1.00 0.00 C ATOM 0 HA PRO A 430 8.652 1.168 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 430 9.011 -1.073 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 430 10.019 0.342 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 430 8.411 0.172 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.637 1.709 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 430 6.294 -0.186 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.291 1.566 4.622 1.00 0.00 H new ATOM 643 N ALA A 431 9.155 -0.972 0.447 1.00 0.00 N ATOM 644 CA ALA A 431 9.207 -2.075 -0.509 1.00 0.00 C ATOM 645 C ALA A 431 9.037 -3.420 0.190 1.00 0.00 C ATOM 646 O ALA A 431 8.454 -4.351 -0.368 1.00 0.00 O ATOM 647 CB ALA A 431 10.517 -2.042 -1.283 1.00 0.00 C ATOM 0 H ALA A 431 9.951 -0.336 0.402 1.00 0.00 H new ATOM 0 HA ALA A 431 8.380 -1.953 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.542 -2.870 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.597 -1.099 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.352 -2.134 -0.589 1.00 0.00 H new ATOM 653 N THR A 432 9.536 -3.514 1.417 1.00 0.00 N ATOM 654 CA THR A 432 9.421 -4.743 2.194 1.00 0.00 C ATOM 655 C THR A 432 7.985 -4.941 2.666 1.00 0.00 C ATOM 656 O THR A 432 7.557 -6.065 2.930 1.00 0.00 O ATOM 657 CB THR A 432 10.369 -4.708 3.393 1.00 0.00 C ATOM 658 OG1 THR A 432 9.943 -3.744 4.341 1.00 0.00 O ATOM 659 CG2 THR A 432 11.798 -4.384 3.018 1.00 0.00 C ATOM 0 H THR A 432 10.023 -2.756 1.895 1.00 0.00 H new ATOM 0 HA THR A 432 9.698 -5.581 1.555 1.00 0.00 H new ATOM 0 HB THR A 432 10.341 -5.714 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 432 10.561 -3.738 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 432 12.417 -4.375 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 432 12.173 -5.138 2.326 1.00 0.00 H new ATOM 0 HG23 THR A 432 11.836 -3.404 2.542 1.00 0.00 H new ATOM 667 N GLU A 433 7.244 -3.842 2.758 1.00 0.00 N ATOM 668 CA GLU A 433 5.853 -3.894 3.186 1.00 0.00 C ATOM 669 C GLU A 433 4.918 -4.003 1.983 1.00 0.00 C ATOM 670 O GLU A 433 3.716 -3.768 2.101 1.00 0.00 O ATOM 671 CB GLU A 433 5.503 -2.653 4.009 1.00 0.00 C ATOM 672 CG GLU A 433 6.154 -2.633 5.383 1.00 0.00 C ATOM 673 CD GLU A 433 5.445 -1.704 6.350 1.00 0.00 C ATOM 674 OE1 GLU A 433 4.272 -1.360 6.091 1.00 0.00 O ATOM 675 OE2 GLU A 433 6.062 -1.321 7.366 1.00 0.00 O ATOM 0 H GLU A 433 7.584 -2.905 2.542 1.00 0.00 H new ATOM 0 HA GLU A 433 5.722 -4.780 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 433 5.808 -1.763 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.421 -2.599 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 433 6.160 -3.643 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 433 7.194 -2.323 5.284 1.00 0.00 H new ATOM 682 N LYS A 434 5.474 -4.367 0.827 1.00 0.00 N ATOM 683 CA LYS A 434 4.682 -4.511 -0.388 1.00 0.00 C ATOM 684 C LYS A 434 3.525 -5.474 -0.156 1.00 0.00 C ATOM 685 O LYS A 434 2.434 -5.296 -0.698 1.00 0.00 O ATOM 686 CB LYS A 434 5.557 -5.011 -1.539 1.00 0.00 C ATOM 687 CG LYS A 434 4.886 -4.914 -2.899 1.00 0.00 C ATOM 688 CD LYS A 434 5.875 -5.163 -4.026 1.00 0.00 C ATOM 689 CE LYS A 434 5.273 -4.825 -5.380 1.00 0.00 C ATOM 690 NZ LYS A 434 6.086 -5.371 -6.502 1.00 0.00 N ATOM 0 H LYS A 434 6.467 -4.566 0.710 1.00 0.00 H new ATOM 0 HA LYS A 434 4.278 -3.534 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.482 -4.435 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 434 5.831 -6.049 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 434 4.075 -5.639 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.440 -3.926 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.771 -4.563 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 434 6.185 -6.208 -4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 434 4.261 -5.225 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 434 5.194 -3.743 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 5.642 -5.119 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 7.045 -4.970 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 6.140 -6.406 -6.420 1.00 0.00 H new ATOM 704 N GLN A 435 3.770 -6.488 0.667 1.00 0.00 N ATOM 705 CA GLN A 435 2.746 -7.473 0.988 1.00 0.00 C ATOM 706 C GLN A 435 1.598 -6.800 1.733 1.00 0.00 C ATOM 707 O GLN A 435 0.427 -6.947 1.370 1.00 0.00 O ATOM 708 CB GLN A 435 3.336 -8.603 1.839 1.00 0.00 C ATOM 709 CG GLN A 435 4.766 -8.971 1.465 1.00 0.00 C ATOM 710 CD GLN A 435 5.177 -10.328 2.003 1.00 0.00 C ATOM 711 OE1 GLN A 435 5.675 -10.441 3.122 1.00 0.00 O ATOM 712 NE2 GLN A 435 4.968 -11.369 1.203 1.00 0.00 N ATOM 0 H GLN A 435 4.668 -6.648 1.123 1.00 0.00 H new ATOM 0 HA GLN A 435 2.368 -7.902 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.309 -8.308 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.706 -9.487 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 435 4.866 -8.969 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.446 -8.210 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 435 4.552 -11.229 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 435 5.224 -12.308 1.510 1.00 0.00 H new ATOM 721 N ILE A 436 1.948 -6.038 2.765 1.00 0.00 N ATOM 722 CA ILE A 436 0.957 -5.316 3.549 1.00 0.00 C ATOM 723 C ILE A 436 0.323 -4.224 2.703 1.00 0.00 C ATOM 724 O ILE A 436 -0.862 -3.921 2.841 1.00 0.00 O ATOM 725 CB ILE A 436 1.581 -4.685 4.810 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.366 -5.735 5.598 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.500 -4.061 5.680 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.518 -5.157 6.391 1.00 0.00 C ATOM 0 H ILE A 436 2.910 -5.906 3.076 1.00 0.00 H new ATOM 0 HA ILE A 436 0.198 -6.033 3.864 1.00 0.00 H new ATOM 0 HB ILE A 436 2.271 -3.899 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 436 1.688 -6.249 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 436 2.751 -6.484 4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 436 0.956 -3.620 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 436 -0.020 -3.287 5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.212 -4.829 5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.030 -5.958 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 436 4.217 -4.668 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 436 3.138 -4.429 7.107 1.00 0.00 H new ATOM 740 N PHE A 437 1.124 -3.644 1.812 1.00 0.00 N ATOM 741 CA PHE A 437 0.646 -2.596 0.926 1.00 0.00 C ATOM 742 C PHE A 437 -0.409 -3.153 -0.021 1.00 0.00 C ATOM 743 O PHE A 437 -1.473 -2.562 -0.197 1.00 0.00 O ATOM 744 CB PHE A 437 1.807 -1.998 0.126 1.00 0.00 C ATOM 745 CG PHE A 437 1.363 -1.057 -0.958 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.403 -0.094 -0.700 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.899 -1.143 -2.232 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.015 0.769 -1.692 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.482 -0.282 -3.231 1.00 0.00 C ATOM 750 CZ PHE A 437 0.524 0.675 -2.959 1.00 0.00 C ATOM 0 H PHE A 437 2.107 -3.885 1.688 1.00 0.00 H new ATOM 0 HA PHE A 437 0.199 -1.807 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.473 -1.468 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.386 -2.807 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.024 -0.017 0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.649 -1.889 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.763 1.517 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.905 -0.358 -4.222 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.197 1.349 -3.737 1.00 0.00 H new ATOM 760 N GLU A 438 -0.111 -4.305 -0.617 1.00 0.00 N ATOM 761 CA GLU A 438 -1.041 -4.947 -1.537 1.00 0.00 C ATOM 762 C GLU A 438 -2.355 -5.233 -0.828 1.00 0.00 C ATOM 763 O GLU A 438 -3.432 -4.978 -1.366 1.00 0.00 O ATOM 764 CB GLU A 438 -0.441 -6.247 -2.082 1.00 0.00 C ATOM 765 CG GLU A 438 0.121 -6.115 -3.487 1.00 0.00 C ATOM 766 CD GLU A 438 1.213 -7.124 -3.775 1.00 0.00 C ATOM 767 OE1 GLU A 438 2.240 -7.107 -3.063 1.00 0.00 O ATOM 768 OE2 GLU A 438 1.044 -7.934 -4.710 1.00 0.00 O ATOM 0 H GLU A 438 0.764 -4.810 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.228 -4.274 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.352 -6.580 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.208 -7.021 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 438 -0.685 -6.241 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 438 0.517 -5.108 -3.623 1.00 0.00 H new ATOM 775 N ASP A 439 -2.258 -5.741 0.396 1.00 0.00 N ATOM 776 CA ASP A 439 -3.442 -6.036 1.188 1.00 0.00 C ATOM 777 C ASP A 439 -4.157 -4.739 1.560 1.00 0.00 C ATOM 778 O ASP A 439 -5.387 -4.681 1.599 1.00 0.00 O ATOM 779 CB ASP A 439 -3.061 -6.810 2.452 1.00 0.00 C ATOM 780 CG ASP A 439 -3.906 -8.054 2.645 1.00 0.00 C ATOM 781 OD1 ASP A 439 -5.076 -8.051 2.207 1.00 0.00 O ATOM 782 OD2 ASP A 439 -3.398 -9.032 3.233 1.00 0.00 O ATOM 0 H ASP A 439 -1.374 -5.956 0.858 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.115 -6.654 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.010 -7.093 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -3.172 -6.160 3.320 1.00 0.00 H new ATOM 787 N HIS A 440 -3.369 -3.700 1.830 1.00 0.00 N ATOM 788 CA HIS A 440 -3.912 -2.398 2.198 1.00 0.00 C ATOM 789 C HIS A 440 -4.708 -1.791 1.045 1.00 0.00 C ATOM 790 O HIS A 440 -5.828 -1.318 1.237 1.00 0.00 O ATOM 791 CB HIS A 440 -2.780 -1.454 2.606 1.00 0.00 C ATOM 792 CG HIS A 440 -3.247 -0.085 2.994 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.821 0.215 4.208 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.210 1.081 2.299 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.108 1.524 4.214 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.756 2.095 3.080 1.00 0.00 N ATOM 0 H HIS A 440 -2.350 -3.737 1.800 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.586 -2.537 3.043 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.236 -1.893 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.076 -1.367 1.779 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.997 -0.442 4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.819 1.202 1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.568 2.044 5.041 1.00 0.00 H new ATOM 804 N VAL A 441 -4.129 -1.811 -0.153 1.00 0.00 N ATOM 805 CA VAL A 441 -4.803 -1.264 -1.327 1.00 0.00 C ATOM 806 C VAL A 441 -6.009 -2.118 -1.697 1.00 0.00 C ATOM 807 O VAL A 441 -7.015 -1.610 -2.189 1.00 0.00 O ATOM 808 CB VAL A 441 -3.866 -1.167 -2.551 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.352 -0.086 -3.503 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.430 -0.894 -2.130 1.00 0.00 C ATOM 0 H VAL A 441 -3.203 -2.197 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.122 -0.257 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.887 -2.128 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.682 -0.029 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.359 -0.327 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.364 0.874 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.797 -0.832 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.384 0.048 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.079 -1.703 -1.489 1.00 0.00 H new ATOM 820 N PHE A 442 -5.898 -3.420 -1.454 1.00 0.00 N ATOM 821 CA PHE A 442 -6.979 -4.350 -1.758 1.00 0.00 C ATOM 822 C PHE A 442 -8.215 -4.037 -0.920 1.00 0.00 C ATOM 823 O PHE A 442 -9.336 -4.036 -1.428 1.00 0.00 O ATOM 824 CB PHE A 442 -6.528 -5.790 -1.508 1.00 0.00 C ATOM 825 CG PHE A 442 -5.955 -6.460 -2.725 1.00 0.00 C ATOM 826 CD1 PHE A 442 -6.656 -6.469 -3.920 1.00 0.00 C ATOM 827 CD2 PHE A 442 -4.718 -7.080 -2.672 1.00 0.00 C ATOM 828 CE1 PHE A 442 -6.132 -7.084 -5.042 1.00 0.00 C ATOM 829 CE2 PHE A 442 -4.189 -7.697 -3.789 1.00 0.00 C ATOM 830 CZ PHE A 442 -4.897 -7.699 -4.976 1.00 0.00 C ATOM 0 H PHE A 442 -5.070 -3.855 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.238 -4.237 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.781 -5.795 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.378 -6.371 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -7.623 -5.990 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -4.161 -7.081 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -6.687 -7.084 -5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -3.223 -8.177 -3.735 1.00 0.00 H new ATOM 0 HZ PHE A 442 -4.485 -8.181 -5.851 1.00 0.00 H new ATOM 840 N CYS A 443 -8.003 -3.767 0.364 1.00 0.00 N ATOM 841 CA CYS A 443 -9.103 -3.449 1.270 1.00 0.00 C ATOM 842 C CYS A 443 -9.932 -2.288 0.731 1.00 0.00 C ATOM 843 O CYS A 443 -11.133 -2.198 0.981 1.00 0.00 O ATOM 844 CB CYS A 443 -8.561 -3.097 2.659 1.00 0.00 C ATOM 845 SG CYS A 443 -9.759 -3.321 3.995 1.00 0.00 S ATOM 0 H CYS A 443 -7.081 -3.762 0.801 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.743 -4.328 1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.685 -3.713 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.227 -2.060 2.655 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.209 -3.001 5.129 1.00 0.00 H new ATOM 851 N HIS A 444 -9.278 -1.403 -0.013 1.00 0.00 N ATOM 852 CA HIS A 444 -9.948 -0.246 -0.594 1.00 0.00 C ATOM 853 C HIS A 444 -10.725 -0.633 -1.850 1.00 0.00 C ATOM 854 O HIS A 444 -11.645 0.073 -2.263 1.00 0.00 O ATOM 855 CB HIS A 444 -8.921 0.840 -0.919 1.00 0.00 C ATOM 856 CG HIS A 444 -7.927 1.055 0.179 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.236 0.965 1.517 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.602 1.345 0.119 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.117 1.198 2.214 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.096 1.431 1.413 1.00 0.00 N ATOM 0 H HIS A 444 -8.283 -1.465 -0.228 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.660 0.140 0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.392 0.569 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.442 1.777 -1.118 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.155 0.758 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.032 1.486 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.058 1.195 3.292 1.00 0.00 H new ATOM 868 N SER A 445 -10.352 -1.760 -2.452 1.00 0.00 N ATOM 869 CA SER A 445 -11.018 -2.238 -3.658 1.00 0.00 C ATOM 870 C SER A 445 -12.042 -3.326 -3.330 1.00 0.00 C ATOM 871 O SER A 445 -12.893 -3.654 -4.156 1.00 0.00 O ATOM 872 CB SER A 445 -9.987 -2.774 -4.654 1.00 0.00 C ATOM 873 OG SER A 445 -10.324 -2.411 -5.982 1.00 0.00 O ATOM 0 H SER A 445 -9.593 -2.357 -2.124 1.00 0.00 H new ATOM 0 HA SER A 445 -11.547 -1.397 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 445 -9.000 -2.383 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 445 -9.929 -3.860 -4.574 1.00 0.00 H new ATOM 0 HG SER A 445 -9.649 -2.764 -6.599 1.00 0.00 H new ATOM 879 N LEU A 446 -11.958 -3.878 -2.122 1.00 0.00 N ATOM 880 CA LEU A 446 -12.881 -4.924 -1.694 1.00 0.00 C ATOM 881 C LEU A 446 -13.048 -4.917 -0.177 1.00 0.00 C ATOM 882 O LEU A 446 -12.913 -3.832 0.427 1.00 0.00 O ATOM 883 CB LEU A 446 -12.391 -6.298 -2.157 1.00 0.00 C ATOM 884 CG LEU A 446 -10.876 -6.505 -2.094 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.549 -7.964 -1.815 1.00 0.00 C ATOM 886 CD2 LEU A 446 -10.222 -6.047 -3.389 1.00 0.00 C ATOM 887 OXT LEU A 446 -13.314 -5.995 0.394 1.00 0.00 O ATOM 0 H LEU A 446 -11.261 -3.618 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.849 -4.721 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -12.872 -7.062 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -12.721 -6.457 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.478 -5.903 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.467 -8.093 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.986 -8.259 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -10.958 -8.587 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -9.145 -6.201 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -10.624 -6.623 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -10.428 -4.988 -3.546 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.063 3.110 1.938 1.00 0.00 ZN