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+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 CYS SG : rot 180:sc= -0.835 USER MOD Single : A 400 CYS SG : rot 32:sc= -0.148 USER MOD Single : A 401 LYS NZ :NH3+ 161:sc= -0.0202 (180deg=-0.17) USER MOD Single : A 406 CYS SG : rot 180:sc= 0 USER MOD Single : A 408 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.42) USER MOD Single : A 409 THR OG1 : rot -30:sc= 0.983 USER MOD Single : A 412 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.4!) USER MOD Single : A 413 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 415 MET CE :methyl 166:sc= -0.0237 (180deg=-0.284) USER MOD Single : A 416 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.3) USER MOD Single : A 419 CYS SG : rot -6:sc= 0.118 USER MOD Single : A 421 ASN : amide:sc= -0.458 X(o=-0.46,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= 0.045 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 GLN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot -29:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 -5.712 -20.530 -26.372 1.00 0.00 N ATOM 2 CA SER A 390 -5.907 -21.884 -25.792 1.00 0.00 C ATOM 3 C SER A 390 -6.176 -21.809 -24.291 1.00 0.00 C ATOM 4 O SER A 390 -5.280 -22.036 -23.479 1.00 0.00 O ATOM 5 CB SER A 390 -4.652 -22.715 -26.061 1.00 0.00 C ATOM 6 OG SER A 390 -4.776 -24.020 -25.521 1.00 0.00 O ATOM 0 HA SER A 390 -6.775 -22.350 -26.258 1.00 0.00 H new ATOM 0 HB2 SER A 390 -4.478 -22.778 -27.135 1.00 0.00 H new ATOM 0 HB3 SER A 390 -3.784 -22.219 -25.626 1.00 0.00 H new ATOM 0 HG SER A 390 -3.961 -24.530 -25.708 1.00 0.00 H new ATOM 14 N PRO A 391 -7.423 -21.487 -23.903 1.00 0.00 N ATOM 15 CA PRO A 391 -7.808 -21.380 -22.493 1.00 0.00 C ATOM 16 C PRO A 391 -7.968 -22.743 -21.821 1.00 0.00 C ATOM 17 O PRO A 391 -8.223 -22.824 -20.619 1.00 0.00 O ATOM 18 CB PRO A 391 -9.152 -20.655 -22.554 1.00 0.00 C ATOM 19 CG PRO A 391 -9.724 -21.037 -23.875 1.00 0.00 C ATOM 20 CD PRO A 391 -8.552 -21.198 -24.808 1.00 0.00 C ATOM 0 HA PRO A 391 -7.050 -20.865 -21.903 1.00 0.00 H new ATOM 0 HB2 PRO A 391 -9.805 -20.960 -21.736 1.00 0.00 H new ATOM 0 HB3 PRO A 391 -9.024 -19.575 -22.474 1.00 0.00 H new ATOM 0 HG2 PRO A 391 -10.292 -21.964 -23.800 1.00 0.00 H new ATOM 0 HG3 PRO A 391 -10.409 -20.271 -24.239 1.00 0.00 H new ATOM 0 HD2 PRO A 391 -8.714 -22.009 -25.518 1.00 0.00 H new ATOM 0 HD3 PRO A 391 -8.377 -20.294 -25.391 1.00 0.00 H new ATOM 28 N LEU A 392 -7.819 -23.813 -22.599 1.00 0.00 N ATOM 29 CA LEU A 392 -7.950 -25.168 -22.072 1.00 0.00 C ATOM 30 C LEU A 392 -7.012 -25.389 -20.889 1.00 0.00 C ATOM 31 O LEU A 392 -7.320 -26.156 -19.976 1.00 0.00 O ATOM 32 CB LEU A 392 -7.656 -26.194 -23.168 1.00 0.00 C ATOM 33 CG LEU A 392 -8.589 -26.132 -24.381 1.00 0.00 C ATOM 34 CD1 LEU A 392 -7.917 -25.400 -25.533 1.00 0.00 C ATOM 35 CD2 LEU A 392 -9.004 -27.532 -24.808 1.00 0.00 C ATOM 0 H LEU A 392 -7.608 -23.767 -23.596 1.00 0.00 H new ATOM 0 HA LEU A 392 -8.976 -25.297 -21.726 1.00 0.00 H new ATOM 0 HB2 LEU A 392 -6.631 -26.054 -23.510 1.00 0.00 H new ATOM 0 HB3 LEU A 392 -7.714 -27.193 -22.735 1.00 0.00 H new ATOM 0 HG LEU A 392 -9.485 -25.580 -24.098 1.00 0.00 H new ATOM 0 HD11 LEU A 392 -8.594 -25.365 -26.386 1.00 0.00 H new ATOM 0 HD12 LEU A 392 -7.670 -24.384 -25.224 1.00 0.00 H new ATOM 0 HD13 LEU A 392 -7.004 -25.925 -25.815 1.00 0.00 H new ATOM 0 HD21 LEU A 392 -9.667 -27.468 -25.671 1.00 0.00 H new ATOM 0 HD22 LEU A 392 -8.118 -28.109 -25.073 1.00 0.00 H new ATOM 0 HD23 LEU A 392 -9.525 -28.024 -23.986 1.00 0.00 H new ATOM 47 N SER A 393 -5.868 -24.714 -20.913 1.00 0.00 N ATOM 48 CA SER A 393 -4.885 -24.839 -19.842 1.00 0.00 C ATOM 49 C SER A 393 -3.754 -23.833 -20.021 1.00 0.00 C ATOM 50 O SER A 393 -3.164 -23.731 -21.098 1.00 0.00 O ATOM 51 CB SER A 393 -4.321 -26.260 -19.803 1.00 0.00 C ATOM 52 OG SER A 393 -4.124 -26.695 -18.469 1.00 0.00 O ATOM 0 H SER A 393 -5.598 -24.075 -21.661 1.00 0.00 H new ATOM 0 HA SER A 393 -5.385 -24.629 -18.897 1.00 0.00 H new ATOM 0 HB2 SER A 393 -5.004 -26.940 -20.313 1.00 0.00 H new ATOM 0 HB3 SER A 393 -3.375 -26.294 -20.343 1.00 0.00 H new ATOM 0 HG SER A 393 -3.765 -27.607 -18.472 1.00 0.00 H new ATOM 58 N ILE A 394 -3.453 -23.093 -18.959 1.00 0.00 N ATOM 59 CA ILE A 394 -2.391 -22.094 -18.999 1.00 0.00 C ATOM 60 C ILE A 394 -1.712 -21.962 -17.639 1.00 0.00 C ATOM 61 O ILE A 394 -2.149 -21.184 -16.789 1.00 0.00 O ATOM 62 CB ILE A 394 -2.927 -20.715 -19.430 1.00 0.00 C ATOM 63 CG1 ILE A 394 -4.232 -20.395 -18.699 1.00 0.00 C ATOM 64 CG2 ILE A 394 -3.134 -20.675 -20.937 1.00 0.00 C ATOM 65 CD1 ILE A 394 -4.591 -18.924 -18.718 1.00 0.00 C ATOM 0 H ILE A 394 -3.929 -23.166 -18.060 1.00 0.00 H new ATOM 0 HA ILE A 394 -1.664 -22.436 -19.736 1.00 0.00 H new ATOM 0 HB ILE A 394 -2.190 -19.958 -19.163 1.00 0.00 H new ATOM 0 HG12 ILE A 394 -5.043 -20.964 -19.154 1.00 0.00 H new ATOM 0 HG13 ILE A 394 -4.150 -20.727 -17.664 1.00 0.00 H new ATOM 0 HG21 ILE A 394 -3.513 -19.695 -21.226 1.00 0.00 H new ATOM 0 HG22 ILE A 394 -2.185 -20.860 -21.440 1.00 0.00 H new ATOM 0 HG23 ILE A 394 -3.853 -21.442 -21.226 1.00 0.00 H new ATOM 0 HD11 ILE A 394 -5.527 -18.771 -18.181 1.00 0.00 H new ATOM 0 HD12 ILE A 394 -3.799 -18.350 -18.237 1.00 0.00 H new ATOM 0 HD13 ILE A 394 -4.705 -18.591 -19.749 1.00 0.00 H new ATOM 77 N LYS A 395 -0.643 -22.726 -17.440 1.00 0.00 N ATOM 78 CA LYS A 395 0.096 -22.693 -16.183 1.00 0.00 C ATOM 79 C LYS A 395 0.901 -21.405 -16.056 1.00 0.00 C ATOM 80 O LYS A 395 1.076 -20.876 -14.958 1.00 0.00 O ATOM 81 CB LYS A 395 1.027 -23.903 -16.085 1.00 0.00 C ATOM 82 CG LYS A 395 1.339 -24.315 -14.654 1.00 0.00 C ATOM 83 CD LYS A 395 2.788 -24.750 -14.503 1.00 0.00 C ATOM 84 CE LYS A 395 3.378 -24.274 -13.186 1.00 0.00 C ATOM 85 NZ LYS A 395 4.792 -23.831 -13.338 1.00 0.00 N ATOM 0 H LYS A 395 -0.269 -23.375 -18.132 1.00 0.00 H new ATOM 0 HA LYS A 395 -0.625 -22.729 -15.366 1.00 0.00 H new ATOM 0 HB2 LYS A 395 0.571 -24.745 -16.606 1.00 0.00 H new ATOM 0 HB3 LYS A 395 1.960 -23.676 -16.601 1.00 0.00 H new ATOM 0 HG2 LYS A 395 1.136 -23.481 -13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 395 0.680 -25.131 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 395 2.850 -25.837 -14.559 1.00 0.00 H new ATOM 0 HD3 LYS A 395 3.376 -24.354 -15.331 1.00 0.00 H new ATOM 0 HE2 LYS A 395 2.779 -23.450 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 395 3.327 -25.079 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 5.157 -23.514 -12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 5.369 -24.624 -13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 4.838 -23.045 -14.018 1.00 0.00 H new ATOM 99 N LYS A 396 1.390 -20.905 -17.186 1.00 0.00 N ATOM 100 CA LYS A 396 2.178 -19.678 -17.200 1.00 0.00 C ATOM 101 C LYS A 396 1.278 -18.455 -17.346 1.00 0.00 C ATOM 102 O LYS A 396 0.418 -18.405 -18.225 1.00 0.00 O ATOM 103 CB LYS A 396 3.197 -19.714 -18.339 1.00 0.00 C ATOM 104 CG LYS A 396 4.213 -18.585 -18.283 1.00 0.00 C ATOM 105 CD LYS A 396 5.156 -18.623 -19.475 1.00 0.00 C ATOM 106 CE LYS A 396 6.195 -19.724 -19.332 1.00 0.00 C ATOM 107 NZ LYS A 396 5.909 -20.877 -20.229 1.00 0.00 N ATOM 0 H LYS A 396 1.255 -21.330 -18.103 1.00 0.00 H new ATOM 0 HA LYS A 396 2.708 -19.606 -16.250 1.00 0.00 H new ATOM 0 HB2 LYS A 396 3.724 -20.668 -18.313 1.00 0.00 H new ATOM 0 HB3 LYS A 396 2.667 -19.668 -19.291 1.00 0.00 H new ATOM 0 HG2 LYS A 396 3.693 -17.627 -18.260 1.00 0.00 H new ATOM 0 HG3 LYS A 396 4.789 -18.658 -17.360 1.00 0.00 H new ATOM 0 HD2 LYS A 396 4.582 -18.780 -20.389 1.00 0.00 H new ATOM 0 HD3 LYS A 396 5.657 -17.660 -19.574 1.00 0.00 H new ATOM 0 HE2 LYS A 396 7.183 -19.323 -19.560 1.00 0.00 H new ATOM 0 HE3 LYS A 396 6.221 -20.067 -18.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 6.640 -21.606 -20.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 4.978 -21.276 -19.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 5.909 -20.556 -21.218 1.00 0.00 H new ATOM 121 N CYS A 397 1.482 -17.469 -16.477 1.00 0.00 N ATOM 122 CA CYS A 397 0.690 -16.246 -16.509 1.00 0.00 C ATOM 123 C CYS A 397 1.448 -15.126 -17.213 1.00 0.00 C ATOM 124 O CYS A 397 2.637 -14.923 -16.967 1.00 0.00 O ATOM 125 CB CYS A 397 0.321 -15.816 -15.088 1.00 0.00 C ATOM 126 SG CYS A 397 -0.685 -14.315 -15.006 1.00 0.00 S ATOM 0 H CYS A 397 2.189 -17.494 -15.742 1.00 0.00 H new ATOM 0 HA CYS A 397 -0.224 -16.448 -17.068 1.00 0.00 H new ATOM 0 HB2 CYS A 397 -0.219 -16.629 -14.603 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.237 -15.658 -14.519 1.00 0.00 H new ATOM 0 HG CYS A 397 -0.946 -14.035 -13.764 1.00 0.00 H new ATOM 132 N PRO A 398 0.770 -14.381 -18.103 1.00 0.00 N ATOM 133 CA PRO A 398 1.397 -13.281 -18.836 1.00 0.00 C ATOM 134 C PRO A 398 1.884 -12.179 -17.906 1.00 0.00 C ATOM 135 O PRO A 398 1.165 -11.746 -17.004 1.00 0.00 O ATOM 136 CB PRO A 398 0.277 -12.759 -19.745 1.00 0.00 C ATOM 137 CG PRO A 398 -0.986 -13.238 -19.117 1.00 0.00 C ATOM 138 CD PRO A 398 -0.649 -14.546 -18.462 1.00 0.00 C ATOM 0 HA PRO A 398 2.280 -13.610 -19.383 1.00 0.00 H new ATOM 0 HB2 PRO A 398 0.297 -11.671 -19.811 1.00 0.00 H new ATOM 0 HB3 PRO A 398 0.382 -13.141 -20.760 1.00 0.00 H new ATOM 0 HG2 PRO A 398 -1.356 -12.519 -18.386 1.00 0.00 H new ATOM 0 HG3 PRO A 398 -1.770 -13.365 -19.864 1.00 0.00 H new ATOM 0 HD2 PRO A 398 -1.269 -14.729 -17.584 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.799 -15.387 -19.139 1.00 0.00 H new ATOM 146 N ILE A 399 3.109 -11.730 -18.134 1.00 0.00 N ATOM 147 CA ILE A 399 3.705 -10.676 -17.321 1.00 0.00 C ATOM 148 C ILE A 399 3.112 -9.314 -17.671 1.00 0.00 C ATOM 149 O ILE A 399 2.969 -8.449 -16.807 1.00 0.00 O ATOM 150 CB ILE A 399 5.239 -10.634 -17.496 1.00 0.00 C ATOM 151 CG1 ILE A 399 5.874 -9.686 -16.470 1.00 0.00 C ATOM 152 CG2 ILE A 399 5.611 -10.232 -18.918 1.00 0.00 C ATOM 153 CD1 ILE A 399 5.700 -8.213 -16.789 1.00 0.00 C ATOM 0 H ILE A 399 3.713 -12.079 -18.878 1.00 0.00 H new ATOM 0 HA ILE A 399 3.478 -10.904 -16.279 1.00 0.00 H new ATOM 0 HB ILE A 399 5.632 -11.635 -17.319 1.00 0.00 H new ATOM 0 HG12 ILE A 399 5.441 -9.887 -15.490 1.00 0.00 H new ATOM 0 HG13 ILE A 399 6.939 -9.907 -16.399 1.00 0.00 H new ATOM 0 HG21 ILE A 399 6.696 -10.209 -19.018 1.00 0.00 H new ATOM 0 HG22 ILE A 399 5.197 -10.955 -19.621 1.00 0.00 H new ATOM 0 HG23 ILE A 399 5.206 -9.243 -19.134 1.00 0.00 H new ATOM 0 HD11 ILE A 399 6.178 -7.614 -16.014 1.00 0.00 H new ATOM 0 HD12 ILE A 399 6.159 -7.993 -17.753 1.00 0.00 H new ATOM 0 HD13 ILE A 399 4.638 -7.973 -16.830 1.00 0.00 H new ATOM 165 N CYS A 400 2.770 -9.132 -18.942 1.00 0.00 N ATOM 166 CA CYS A 400 2.193 -7.876 -19.405 1.00 0.00 C ATOM 167 C CYS A 400 1.515 -8.053 -20.759 1.00 0.00 C ATOM 168 O CYS A 400 2.168 -8.011 -21.802 1.00 0.00 O ATOM 169 CB CYS A 400 3.274 -6.798 -19.500 1.00 0.00 C ATOM 170 SG CYS A 400 3.454 -5.799 -18.003 1.00 0.00 S ATOM 0 H CYS A 400 2.882 -9.838 -19.669 1.00 0.00 H new ATOM 0 HA CYS A 400 1.440 -7.564 -18.681 1.00 0.00 H new ATOM 0 HB2 CYS A 400 4.229 -7.275 -19.723 1.00 0.00 H new ATOM 0 HB3 CYS A 400 3.043 -6.140 -20.338 1.00 0.00 H new ATOM 0 HG CYS A 400 3.167 -6.522 -16.962 1.00 0.00 H new ATOM 176 N LYS A 401 0.201 -8.251 -20.737 1.00 0.00 N ATOM 177 CA LYS A 401 -0.566 -8.434 -21.964 1.00 0.00 C ATOM 178 C LYS A 401 -0.656 -7.127 -22.746 1.00 0.00 C ATOM 179 O LYS A 401 -0.701 -7.131 -23.977 1.00 0.00 O ATOM 180 CB LYS A 401 -1.970 -8.949 -21.641 1.00 0.00 C ATOM 181 CG LYS A 401 -2.123 -10.452 -21.816 1.00 0.00 C ATOM 182 CD LYS A 401 -3.385 -10.800 -22.590 1.00 0.00 C ATOM 183 CE LYS A 401 -3.093 -11.017 -24.065 1.00 0.00 C ATOM 184 NZ LYS A 401 -2.347 -12.284 -24.304 1.00 0.00 N ATOM 0 H LYS A 401 -0.355 -8.289 -19.883 1.00 0.00 H new ATOM 0 HA LYS A 401 -0.051 -9.171 -22.580 1.00 0.00 H new ATOM 0 HB2 LYS A 401 -2.217 -8.684 -20.613 1.00 0.00 H new ATOM 0 HB3 LYS A 401 -2.690 -8.442 -22.283 1.00 0.00 H new ATOM 0 HG2 LYS A 401 -1.253 -10.848 -22.340 1.00 0.00 H new ATOM 0 HG3 LYS A 401 -2.152 -10.932 -20.838 1.00 0.00 H new ATOM 0 HD2 LYS A 401 -3.833 -11.701 -22.171 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -4.115 -9.998 -22.477 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -4.030 -11.037 -24.621 1.00 0.00 H new ATOM 0 HE3 LYS A 401 -2.513 -10.177 -24.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -2.444 -12.561 -25.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -1.341 -12.142 -24.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -2.734 -13.035 -23.697 1.00 0.00 H new ATOM 198 N ALA A 402 -0.683 -6.012 -22.023 1.00 0.00 N ATOM 199 CA ALA A 402 -0.768 -4.698 -22.647 1.00 0.00 C ATOM 200 C ALA A 402 0.511 -4.363 -23.409 1.00 0.00 C ATOM 201 O ALA A 402 0.495 -3.569 -24.349 1.00 0.00 O ATOM 202 CB ALA A 402 -1.052 -3.634 -21.597 1.00 0.00 C ATOM 0 H ALA A 402 -0.647 -5.993 -21.004 1.00 0.00 H new ATOM 0 HA ALA A 402 -1.589 -4.718 -23.363 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -1.113 -2.657 -22.076 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -1.997 -3.855 -21.102 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -0.249 -3.627 -20.860 1.00 0.00 H new ATOM 208 N ASP A 403 1.619 -4.973 -22.997 1.00 0.00 N ATOM 209 CA ASP A 403 2.906 -4.737 -23.643 1.00 0.00 C ATOM 210 C ASP A 403 3.141 -5.715 -24.795 1.00 0.00 C ATOM 211 O ASP A 403 4.248 -5.802 -25.326 1.00 0.00 O ATOM 212 CB ASP A 403 4.038 -4.858 -22.621 1.00 0.00 C ATOM 213 CG ASP A 403 5.226 -3.981 -22.967 1.00 0.00 C ATOM 214 OD1 ASP A 403 5.008 -2.830 -23.401 1.00 0.00 O ATOM 215 OD2 ASP A 403 6.374 -4.445 -22.803 1.00 0.00 O ATOM 0 H ASP A 403 1.651 -5.633 -22.220 1.00 0.00 H new ATOM 0 HA ASP A 403 2.893 -3.727 -24.053 1.00 0.00 H new ATOM 0 HB2 ASP A 403 3.664 -4.585 -21.634 1.00 0.00 H new ATOM 0 HB3 ASP A 403 4.362 -5.897 -22.563 1.00 0.00 H new ATOM 220 N ASP A 404 2.098 -6.447 -25.179 1.00 0.00 N ATOM 221 CA ASP A 404 2.202 -7.412 -26.268 1.00 0.00 C ATOM 222 C ASP A 404 3.288 -8.445 -25.981 1.00 0.00 C ATOM 223 O ASP A 404 3.943 -8.398 -24.939 1.00 0.00 O ATOM 224 CB ASP A 404 2.501 -6.695 -27.585 1.00 0.00 C ATOM 225 CG ASP A 404 1.799 -7.337 -28.766 1.00 0.00 C ATOM 226 OD1 ASP A 404 1.712 -8.583 -28.799 1.00 0.00 O ATOM 227 OD2 ASP A 404 1.334 -6.594 -29.655 1.00 0.00 O ATOM 0 H ASP A 404 1.173 -6.390 -24.752 1.00 0.00 H new ATOM 0 HA ASP A 404 1.247 -7.930 -26.352 1.00 0.00 H new ATOM 0 HB2 ASP A 404 2.193 -5.652 -27.506 1.00 0.00 H new ATOM 0 HB3 ASP A 404 3.577 -6.697 -27.760 1.00 0.00 H new ATOM 232 N ILE A 405 3.472 -9.377 -26.910 1.00 0.00 N ATOM 233 CA ILE A 405 4.478 -10.422 -26.758 1.00 0.00 C ATOM 234 C ILE A 405 5.474 -10.396 -27.915 1.00 0.00 C ATOM 235 O ILE A 405 5.122 -10.692 -29.057 1.00 0.00 O ATOM 236 CB ILE A 405 3.828 -11.818 -26.676 1.00 0.00 C ATOM 237 CG1 ILE A 405 4.891 -12.890 -26.414 1.00 0.00 C ATOM 238 CG2 ILE A 405 3.059 -12.126 -27.954 1.00 0.00 C ATOM 239 CD1 ILE A 405 4.856 -13.441 -25.005 1.00 0.00 C ATOM 0 H ILE A 405 2.937 -9.430 -27.777 1.00 0.00 H new ATOM 0 HA ILE A 405 5.007 -10.224 -25.826 1.00 0.00 H new ATOM 0 HB ILE A 405 3.124 -11.822 -25.844 1.00 0.00 H new ATOM 0 HG12 ILE A 405 4.752 -13.709 -27.120 1.00 0.00 H new ATOM 0 HG13 ILE A 405 5.877 -12.468 -26.606 1.00 0.00 H new ATOM 0 HG21 ILE A 405 2.607 -13.115 -27.877 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.277 -11.380 -28.097 1.00 0.00 H new ATOM 0 HG23 ILE A 405 3.741 -12.104 -28.804 1.00 0.00 H new ATOM 0 HD11 ILE A 405 5.635 -14.195 -24.890 1.00 0.00 H new ATOM 0 HD12 ILE A 405 5.025 -12.632 -24.294 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.883 -13.893 -24.815 1.00 0.00 H new ATOM 251 N CYS A 406 6.717 -10.040 -27.610 1.00 0.00 N ATOM 252 CA CYS A 406 7.763 -9.976 -28.625 1.00 0.00 C ATOM 253 C CYS A 406 9.127 -9.739 -27.986 1.00 0.00 C ATOM 254 O CYS A 406 9.994 -10.614 -28.006 1.00 0.00 O ATOM 255 CB CYS A 406 7.459 -8.864 -29.631 1.00 0.00 C ATOM 256 SG CYS A 406 7.912 -9.266 -31.334 1.00 0.00 S ATOM 0 H CYS A 406 7.025 -9.792 -26.670 1.00 0.00 H new ATOM 0 HA CYS A 406 7.787 -10.933 -29.147 1.00 0.00 H new ATOM 0 HB2 CYS A 406 6.394 -8.636 -29.594 1.00 0.00 H new ATOM 0 HB3 CYS A 406 7.989 -7.961 -29.329 1.00 0.00 H new ATOM 0 HG CYS A 406 7.615 -8.266 -32.110 1.00 0.00 H new ATOM 262 N ASP A 407 9.313 -8.551 -27.419 1.00 0.00 N ATOM 263 CA ASP A 407 10.572 -8.199 -26.774 1.00 0.00 C ATOM 264 C ASP A 407 10.331 -7.661 -25.369 1.00 0.00 C ATOM 265 O ASP A 407 9.736 -6.597 -25.194 1.00 0.00 O ATOM 266 CB ASP A 407 11.324 -7.161 -27.609 1.00 0.00 C ATOM 267 CG ASP A 407 12.823 -7.385 -27.598 1.00 0.00 C ATOM 268 OD1 ASP A 407 13.381 -7.612 -26.504 1.00 0.00 O ATOM 269 OD2 ASP A 407 13.439 -7.335 -28.684 1.00 0.00 O ATOM 0 H ASP A 407 8.607 -7.816 -27.393 1.00 0.00 H new ATOM 0 HA ASP A 407 11.178 -9.102 -26.698 1.00 0.00 H new ATOM 0 HB2 ASP A 407 10.962 -7.194 -28.637 1.00 0.00 H new ATOM 0 HB3 ASP A 407 11.106 -6.164 -27.226 1.00 0.00 H new ATOM 274 N HIS A 408 10.796 -8.401 -24.368 1.00 0.00 N ATOM 275 CA HIS A 408 10.631 -7.998 -22.977 1.00 0.00 C ATOM 276 C HIS A 408 11.462 -6.756 -22.668 1.00 0.00 C ATOM 277 O HIS A 408 11.056 -5.910 -21.873 1.00 0.00 O ATOM 278 CB HIS A 408 11.032 -9.140 -22.041 1.00 0.00 C ATOM 279 CG HIS A 408 10.328 -9.108 -20.720 1.00 0.00 C ATOM 280 ND1 HIS A 408 9.469 -8.096 -20.349 1.00 0.00 N ATOM 281 CD2 HIS A 408 10.357 -9.974 -19.679 1.00 0.00 C ATOM 282 CE1 HIS A 408 9.002 -8.339 -19.137 1.00 0.00 C ATOM 283 NE2 HIS A 408 9.524 -9.473 -18.710 1.00 0.00 N ATOM 0 H HIS A 408 11.291 -9.284 -24.495 1.00 0.00 H new ATOM 0 HA HIS A 408 9.580 -7.759 -22.817 1.00 0.00 H new ATOM 0 HB2 HIS A 408 10.823 -10.091 -22.531 1.00 0.00 H new ATOM 0 HB3 HIS A 408 12.108 -9.098 -21.871 1.00 0.00 H new ATOM 0 HD2 HIS A 408 10.929 -10.888 -19.622 1.00 0.00 H new ATOM 0 HE1 HIS A 408 8.311 -7.716 -18.589 1.00 0.00 H new ATOM 0 HE2 HIS A 408 9.338 -9.907 -17.806 1.00 0.00 H new ATOM 292 N THR A 409 12.626 -6.659 -23.303 1.00 0.00 N ATOM 293 CA THR A 409 13.521 -5.523 -23.101 1.00 0.00 C ATOM 294 C THR A 409 13.991 -5.448 -21.652 1.00 0.00 C ATOM 295 O THR A 409 13.231 -5.733 -20.726 1.00 0.00 O ATOM 296 CB THR A 409 12.829 -4.214 -23.495 1.00 0.00 C ATOM 297 OG1 THR A 409 12.025 -3.729 -22.436 1.00 0.00 O ATOM 298 CG2 THR A 409 11.946 -4.343 -24.720 1.00 0.00 C ATOM 0 H THR A 409 12.973 -7.355 -23.963 1.00 0.00 H new ATOM 0 HA THR A 409 14.392 -5.668 -23.740 1.00 0.00 H new ATOM 0 HB THR A 409 13.640 -3.522 -23.724 1.00 0.00 H new ATOM 0 HG1 THR A 409 11.697 -4.483 -21.903 1.00 0.00 H new ATOM 0 HG21 THR A 409 11.488 -3.379 -24.942 1.00 0.00 H new ATOM 0 HG22 THR A 409 12.548 -4.663 -25.570 1.00 0.00 H new ATOM 0 HG23 THR A 409 11.166 -5.080 -24.530 1.00 0.00 H new ATOM 306 N LEU A 410 15.248 -5.063 -21.463 1.00 0.00 N ATOM 307 CA LEU A 410 15.822 -4.951 -20.127 1.00 0.00 C ATOM 308 C LEU A 410 15.129 -3.854 -19.324 1.00 0.00 C ATOM 309 O LEU A 410 15.065 -3.917 -18.096 1.00 0.00 O ATOM 310 CB LEU A 410 17.322 -4.662 -20.217 1.00 0.00 C ATOM 311 CG LEU A 410 18.062 -4.660 -18.879 1.00 0.00 C ATOM 312 CD1 LEU A 410 18.359 -6.083 -18.430 1.00 0.00 C ATOM 313 CD2 LEU A 410 19.348 -3.853 -18.982 1.00 0.00 C ATOM 0 H LEU A 410 15.890 -4.823 -22.219 1.00 0.00 H new ATOM 0 HA LEU A 410 15.671 -5.901 -19.614 1.00 0.00 H new ATOM 0 HB2 LEU A 410 17.781 -5.406 -20.868 1.00 0.00 H new ATOM 0 HB3 LEU A 410 17.462 -3.692 -20.694 1.00 0.00 H new ATOM 0 HG LEU A 410 17.421 -4.192 -18.132 1.00 0.00 H new ATOM 0 HD11 LEU A 410 18.886 -6.061 -17.476 1.00 0.00 H new ATOM 0 HD12 LEU A 410 17.424 -6.631 -18.315 1.00 0.00 H new ATOM 0 HD13 LEU A 410 18.980 -6.578 -19.176 1.00 0.00 H new ATOM 0 HD21 LEU A 410 19.861 -3.862 -18.021 1.00 0.00 H new ATOM 0 HD22 LEU A 410 19.993 -4.293 -19.742 1.00 0.00 H new ATOM 0 HD23 LEU A 410 19.111 -2.825 -19.257 1.00 0.00 H new ATOM 325 N GLU A 411 14.612 -2.848 -20.024 1.00 0.00 N ATOM 326 CA GLU A 411 13.926 -1.738 -19.374 1.00 0.00 C ATOM 327 C GLU A 411 12.759 -2.236 -18.527 1.00 0.00 C ATOM 328 O GLU A 411 12.554 -1.776 -17.403 1.00 0.00 O ATOM 329 CB GLU A 411 13.421 -0.740 -20.419 1.00 0.00 C ATOM 330 CG GLU A 411 14.528 0.082 -21.059 1.00 0.00 C ATOM 331 CD GLU A 411 14.424 0.127 -22.570 1.00 0.00 C ATOM 332 OE1 GLU A 411 13.400 0.627 -23.081 1.00 0.00 O ATOM 333 OE2 GLU A 411 15.367 -0.338 -23.244 1.00 0.00 O ATOM 0 H GLU A 411 14.656 -2.780 -21.041 1.00 0.00 H new ATOM 0 HA GLU A 411 14.640 -1.240 -18.718 1.00 0.00 H new ATOM 0 HB2 GLU A 411 12.885 -1.282 -21.198 1.00 0.00 H new ATOM 0 HB3 GLU A 411 12.704 -0.066 -19.949 1.00 0.00 H new ATOM 0 HG2 GLU A 411 14.494 1.098 -20.666 1.00 0.00 H new ATOM 0 HG3 GLU A 411 15.494 -0.336 -20.778 1.00 0.00 H new ATOM 340 N GLN A 412 11.997 -3.179 -19.072 1.00 0.00 N ATOM 341 CA GLN A 412 10.852 -3.740 -18.365 1.00 0.00 C ATOM 342 C GLN A 412 11.301 -4.534 -17.143 1.00 0.00 C ATOM 343 O GLN A 412 10.594 -4.599 -16.138 1.00 0.00 O ATOM 344 CB GLN A 412 10.038 -4.637 -19.300 1.00 0.00 C ATOM 345 CG GLN A 412 9.361 -3.883 -20.432 1.00 0.00 C ATOM 346 CD GLN A 412 8.159 -3.087 -19.965 1.00 0.00 C ATOM 347 OE1 GLN A 412 7.635 -3.313 -18.873 1.00 0.00 O ATOM 348 NE2 GLN A 412 7.712 -2.148 -20.791 1.00 0.00 N ATOM 0 H GLN A 412 12.152 -3.570 -20.001 1.00 0.00 H new ATOM 0 HA GLN A 412 10.225 -2.914 -18.028 1.00 0.00 H new ATOM 0 HB2 GLN A 412 10.695 -5.397 -19.723 1.00 0.00 H new ATOM 0 HB3 GLN A 412 9.279 -5.160 -18.718 1.00 0.00 H new ATOM 0 HG2 GLN A 412 10.081 -3.209 -20.896 1.00 0.00 H new ATOM 0 HG3 GLN A 412 9.047 -4.591 -21.199 1.00 0.00 H new ATOM 0 HE21 GLN A 412 8.176 -1.994 -21.686 1.00 0.00 H new ATOM 0 HE22 GLN A 412 6.905 -1.581 -20.530 1.00 0.00 H new ATOM 357 N GLN A 413 12.482 -5.137 -17.239 1.00 0.00 N ATOM 358 CA GLN A 413 13.026 -5.927 -16.141 1.00 0.00 C ATOM 359 C GLN A 413 13.397 -5.036 -14.960 1.00 0.00 C ATOM 360 O GLN A 413 13.063 -5.336 -13.813 1.00 0.00 O ATOM 361 CB GLN A 413 14.254 -6.710 -16.609 1.00 0.00 C ATOM 362 CG GLN A 413 13.919 -7.878 -17.523 1.00 0.00 C ATOM 363 CD GLN A 413 13.823 -9.193 -16.775 1.00 0.00 C ATOM 364 OE1 GLN A 413 14.812 -9.908 -16.623 1.00 0.00 O ATOM 365 NE2 GLN A 413 12.624 -9.519 -16.304 1.00 0.00 N ATOM 0 H GLN A 413 13.079 -5.094 -18.065 1.00 0.00 H new ATOM 0 HA GLN A 413 12.258 -6.628 -15.816 1.00 0.00 H new ATOM 0 HB2 GLN A 413 14.929 -6.032 -17.132 1.00 0.00 H new ATOM 0 HB3 GLN A 413 14.790 -7.084 -15.737 1.00 0.00 H new ATOM 0 HG2 GLN A 413 12.973 -7.681 -18.027 1.00 0.00 H new ATOM 0 HG3 GLN A 413 14.682 -7.959 -18.297 1.00 0.00 H new ATOM 0 HE21 GLN A 413 11.831 -8.896 -16.453 1.00 0.00 H new ATOM 0 HE22 GLN A 413 12.497 -10.393 -15.793 1.00 0.00 H new ATOM 374 N GLN A 414 14.090 -3.939 -15.247 1.00 0.00 N ATOM 375 CA GLN A 414 14.506 -3.005 -14.207 1.00 0.00 C ATOM 376 C GLN A 414 13.356 -2.083 -13.810 1.00 0.00 C ATOM 377 O GLN A 414 13.163 -1.023 -14.406 1.00 0.00 O ATOM 378 CB GLN A 414 15.699 -2.174 -14.686 1.00 0.00 C ATOM 379 CG GLN A 414 15.501 -1.560 -16.062 1.00 0.00 C ATOM 380 CD GLN A 414 16.253 -0.254 -16.231 1.00 0.00 C ATOM 381 OE1 GLN A 414 16.079 0.681 -15.450 1.00 0.00 O ATOM 382 NE2 GLN A 414 17.094 -0.184 -17.257 1.00 0.00 N ATOM 0 H GLN A 414 14.375 -3.675 -16.190 1.00 0.00 H new ATOM 0 HA GLN A 414 14.802 -3.584 -13.332 1.00 0.00 H new ATOM 0 HB2 GLN A 414 15.889 -1.378 -13.966 1.00 0.00 H new ATOM 0 HB3 GLN A 414 16.587 -2.806 -14.704 1.00 0.00 H new ATOM 0 HG2 GLN A 414 15.833 -2.267 -16.822 1.00 0.00 H new ATOM 0 HG3 GLN A 414 14.438 -1.387 -16.229 1.00 0.00 H new ATOM 0 HE21 GLN A 414 17.207 -0.984 -17.879 1.00 0.00 H new ATOM 0 HE22 GLN A 414 17.627 0.670 -17.422 1.00 0.00 H new ATOM 391 N MET A 415 12.597 -2.496 -12.801 1.00 0.00 N ATOM 392 CA MET A 415 11.466 -1.708 -12.323 1.00 0.00 C ATOM 393 C MET A 415 11.012 -2.189 -10.947 1.00 0.00 C ATOM 394 O MET A 415 9.849 -2.547 -10.755 1.00 0.00 O ATOM 395 CB MET A 415 10.305 -1.788 -13.317 1.00 0.00 C ATOM 396 CG MET A 415 9.203 -0.777 -13.047 1.00 0.00 C ATOM 397 SD MET A 415 9.804 0.924 -13.058 1.00 0.00 S ATOM 398 CE MET A 415 10.263 1.111 -14.779 1.00 0.00 C ATOM 0 H MET A 415 12.744 -3.371 -12.298 1.00 0.00 H new ATOM 0 HA MET A 415 11.787 -0.670 -12.236 1.00 0.00 H new ATOM 0 HB2 MET A 415 10.689 -1.634 -14.325 1.00 0.00 H new ATOM 0 HB3 MET A 415 9.881 -2.792 -13.288 1.00 0.00 H new ATOM 0 HG2 MET A 415 8.422 -0.887 -13.799 1.00 0.00 H new ATOM 0 HG3 MET A 415 8.747 -0.991 -12.080 1.00 0.00 H new ATOM 0 HE1 MET A 415 10.416 2.167 -15.002 1.00 0.00 H new ATOM 0 HE2 MET A 415 11.185 0.562 -14.971 1.00 0.00 H new ATOM 0 HE3 MET A 415 9.468 0.718 -15.412 1.00 0.00 H new ATOM 408 N GLN A 416 11.937 -2.195 -9.994 1.00 0.00 N ATOM 409 CA GLN A 416 11.634 -2.633 -8.637 1.00 0.00 C ATOM 410 C GLN A 416 11.323 -1.437 -7.735 1.00 0.00 C ATOM 411 O GLN A 416 12.211 -0.647 -7.415 1.00 0.00 O ATOM 412 CB GLN A 416 12.811 -3.428 -8.064 1.00 0.00 C ATOM 413 CG GLN A 416 12.538 -4.921 -7.953 1.00 0.00 C ATOM 414 CD GLN A 416 12.407 -5.385 -6.516 1.00 0.00 C ATOM 415 OE1 GLN A 416 13.212 -5.024 -5.658 1.00 0.00 O ATOM 416 NE2 GLN A 416 11.386 -6.191 -6.246 1.00 0.00 N ATOM 0 H GLN A 416 12.903 -1.901 -10.136 1.00 0.00 H new ATOM 0 HA GLN A 416 10.753 -3.274 -8.674 1.00 0.00 H new ATOM 0 HB2 GLN A 416 13.686 -3.273 -8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 416 13.057 -3.037 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 416 11.622 -5.160 -8.493 1.00 0.00 H new ATOM 0 HG3 GLN A 416 13.345 -5.471 -8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 416 10.742 -6.465 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 416 11.246 -6.536 -5.296 1.00 0.00 H new ATOM 425 N PRO A 417 10.053 -1.283 -7.314 1.00 0.00 N ATOM 426 CA PRO A 417 9.639 -0.172 -6.449 1.00 0.00 C ATOM 427 C PRO A 417 10.369 -0.180 -5.110 1.00 0.00 C ATOM 428 O PRO A 417 10.699 -1.241 -4.579 1.00 0.00 O ATOM 429 CB PRO A 417 8.138 -0.410 -6.239 1.00 0.00 C ATOM 430 CG PRO A 417 7.728 -1.314 -7.351 1.00 0.00 C ATOM 431 CD PRO A 417 8.925 -2.169 -7.647 1.00 0.00 C ATOM 0 HA PRO A 417 9.868 0.795 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 417 7.943 -0.866 -5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 417 7.583 0.527 -6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.873 -1.925 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.429 -0.742 -8.230 1.00 0.00 H new ATOM 0 HD2 PRO A 417 8.932 -3.077 -7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.951 -2.481 -8.691 1.00 0.00 H new ATOM 439 N LEU A 418 10.618 1.009 -4.571 1.00 0.00 N ATOM 440 CA LEU A 418 11.309 1.142 -3.297 1.00 0.00 C ATOM 441 C LEU A 418 10.345 1.575 -2.194 1.00 0.00 C ATOM 442 O LEU A 418 10.573 1.302 -1.016 1.00 0.00 O ATOM 443 CB LEU A 418 12.464 2.143 -3.410 1.00 0.00 C ATOM 444 CG LEU A 418 12.267 3.289 -4.412 1.00 0.00 C ATOM 445 CD1 LEU A 418 12.305 2.775 -5.846 1.00 0.00 C ATOM 446 CD2 LEU A 418 10.969 4.035 -4.134 1.00 0.00 C ATOM 0 H LEU A 418 10.350 1.895 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 418 11.716 0.165 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.642 2.575 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 418 13.366 1.597 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 418 13.092 3.990 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 418 12.163 3.608 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 418 13.270 2.305 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 418 11.510 2.044 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 418 10.851 4.842 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 418 10.128 3.347 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 418 10.997 4.451 -3.127 1.00 0.00 H new ATOM 458 N CYS A 419 9.267 2.248 -2.586 1.00 0.00 N ATOM 459 CA CYS A 419 8.267 2.715 -1.633 1.00 0.00 C ATOM 460 C CYS A 419 6.895 2.803 -2.292 1.00 0.00 C ATOM 461 O CYS A 419 6.779 2.732 -3.515 1.00 0.00 O ATOM 462 CB CYS A 419 8.662 4.082 -1.069 1.00 0.00 C ATOM 463 SG CYS A 419 10.316 4.133 -0.337 1.00 0.00 S ATOM 0 H CYS A 419 9.064 2.482 -3.558 1.00 0.00 H new ATOM 0 HA CYS A 419 8.217 1.996 -0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 419 8.608 4.822 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 419 7.933 4.375 -0.313 1.00 0.00 H new ATOM 0 HG CYS A 419 10.815 2.933 -0.309 1.00 0.00 H new ATOM 469 N PHE A 420 5.858 2.955 -1.475 1.00 0.00 N ATOM 470 CA PHE A 420 4.496 3.050 -1.987 1.00 0.00 C ATOM 471 C PHE A 420 3.707 4.129 -1.254 1.00 0.00 C ATOM 472 O PHE A 420 4.007 4.462 -0.108 1.00 0.00 O ATOM 473 CB PHE A 420 3.786 1.702 -1.849 1.00 0.00 C ATOM 474 CG PHE A 420 4.501 0.577 -2.540 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.503 0.487 -3.921 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.171 -0.389 -1.806 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.160 -0.547 -4.560 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.830 -1.425 -2.439 1.00 0.00 C ATOM 479 CZ PHE A 420 5.824 -1.505 -3.818 1.00 0.00 C ATOM 0 H PHE A 420 5.934 3.015 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 420 4.550 3.323 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.682 1.461 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.779 1.787 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 420 3.985 1.233 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.178 -0.331 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.155 -0.606 -5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.349 -2.172 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.337 -2.315 -4.315 1.00 0.00 H new ATOM 489 N ASN A 421 2.694 4.669 -1.925 1.00 0.00 N ATOM 490 CA ASN A 421 1.856 5.709 -1.341 1.00 0.00 C ATOM 491 C ASN A 421 0.391 5.497 -1.712 1.00 0.00 C ATOM 492 O ASN A 421 0.014 5.609 -2.879 1.00 0.00 O ATOM 493 CB ASN A 421 2.318 7.091 -1.811 1.00 0.00 C ATOM 494 CG ASN A 421 1.519 8.214 -1.181 1.00 0.00 C ATOM 495 OD1 ASN A 421 1.030 9.108 -1.873 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.381 8.174 0.139 1.00 0.00 N ATOM 0 H ASN A 421 2.434 4.403 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 421 1.951 5.652 -0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.373 7.220 -1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 421 2.230 7.151 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.853 8.903 0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.803 7.414 0.673 1.00 0.00 H new ATOM 503 N CYS A 422 -0.431 5.191 -0.714 1.00 0.00 N ATOM 504 CA CYS A 422 -1.854 4.963 -0.940 1.00 0.00 C ATOM 505 C CYS A 422 -2.597 6.286 -1.113 1.00 0.00 C ATOM 506 O CYS A 422 -2.710 7.068 -0.171 1.00 0.00 O ATOM 507 CB CYS A 422 -2.462 4.181 0.228 1.00 0.00 C ATOM 508 SG CYS A 422 -4.200 3.736 -0.010 1.00 0.00 S ATOM 0 H CYS A 422 -0.137 5.095 0.258 1.00 0.00 H new ATOM 0 HA CYS A 422 -1.959 4.380 -1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.883 3.271 0.383 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.371 4.776 1.137 1.00 0.00 H new ATOM 513 N PRO A 423 -3.124 6.558 -2.322 1.00 0.00 N ATOM 514 CA PRO A 423 -3.861 7.792 -2.598 1.00 0.00 C ATOM 515 C PRO A 423 -5.278 7.762 -2.033 1.00 0.00 C ATOM 516 O PRO A 423 -6.028 8.731 -2.159 1.00 0.00 O ATOM 517 CB PRO A 423 -3.894 7.842 -4.124 1.00 0.00 C ATOM 518 CG PRO A 423 -3.867 6.413 -4.545 1.00 0.00 C ATOM 519 CD PRO A 423 -3.046 5.685 -3.511 1.00 0.00 C ATOM 0 HA PRO A 423 -3.393 8.662 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.791 8.345 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.039 8.389 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.876 6.004 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.427 6.308 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.449 4.693 -3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.016 5.549 -3.841 1.00 0.00 H new ATOM 527 N ILE A 424 -5.640 6.644 -1.412 1.00 0.00 N ATOM 528 CA ILE A 424 -6.963 6.486 -0.829 1.00 0.00 C ATOM 529 C ILE A 424 -6.939 6.767 0.672 1.00 0.00 C ATOM 530 O ILE A 424 -7.928 7.225 1.243 1.00 0.00 O ATOM 531 CB ILE A 424 -7.504 5.062 -1.074 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.726 4.829 -2.570 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.792 4.833 -0.297 1.00 0.00 C ATOM 534 CD1 ILE A 424 -6.601 4.068 -3.235 1.00 0.00 C ATOM 0 H ILE A 424 -5.032 5.833 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.621 7.208 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.764 4.346 -0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.658 4.281 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.845 5.792 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.155 3.823 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.601 4.958 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.544 5.554 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -6.825 3.939 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -5.671 4.625 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -6.495 3.090 -2.765 1.00 0.00 H new ATOM 546 N CYS A 425 -5.806 6.479 1.304 1.00 0.00 N ATOM 547 CA CYS A 425 -5.658 6.691 2.740 1.00 0.00 C ATOM 548 C CYS A 425 -4.482 7.616 3.058 1.00 0.00 C ATOM 549 O CYS A 425 -4.318 8.049 4.199 1.00 0.00 O ATOM 550 CB CYS A 425 -5.473 5.350 3.446 1.00 0.00 C ATOM 551 SG CYS A 425 -6.755 4.143 3.049 1.00 0.00 S ATOM 0 H CYS A 425 -4.978 6.099 0.846 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.566 7.173 3.101 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.501 4.938 3.176 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.461 5.514 4.523 1.00 0.00 H new ATOM 556 N ASP A 426 -3.665 7.914 2.051 1.00 0.00 N ATOM 557 CA ASP A 426 -2.509 8.786 2.236 1.00 0.00 C ATOM 558 C ASP A 426 -1.470 8.124 3.135 1.00 0.00 C ATOM 559 O ASP A 426 -0.821 8.788 3.944 1.00 0.00 O ATOM 560 CB ASP A 426 -2.940 10.128 2.833 1.00 0.00 C ATOM 561 CG ASP A 426 -1.865 11.188 2.708 1.00 0.00 C ATOM 562 OD1 ASP A 426 -1.636 11.672 1.579 1.00 0.00 O ATOM 563 OD2 ASP A 426 -1.251 11.536 3.738 1.00 0.00 O ATOM 0 H ASP A 426 -3.782 7.565 1.100 1.00 0.00 H new ATOM 0 HA ASP A 426 -2.060 8.963 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.845 10.471 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -3.191 9.991 3.885 1.00 0.00 H new ATOM 568 N LYS A 427 -1.317 6.813 2.986 1.00 0.00 N ATOM 569 CA LYS A 427 -0.356 6.058 3.783 1.00 0.00 C ATOM 570 C LYS A 427 0.814 5.594 2.923 1.00 0.00 C ATOM 571 O LYS A 427 0.649 5.295 1.741 1.00 0.00 O ATOM 572 CB LYS A 427 -1.040 4.855 4.438 1.00 0.00 C ATOM 573 CG LYS A 427 -1.131 4.956 5.952 1.00 0.00 C ATOM 574 CD LYS A 427 -1.884 3.776 6.546 1.00 0.00 C ATOM 575 CE LYS A 427 -1.217 3.269 7.815 1.00 0.00 C ATOM 576 NZ LYS A 427 -2.214 2.936 8.870 1.00 0.00 N ATOM 0 H LYS A 427 -1.846 6.250 2.320 1.00 0.00 H new ATOM 0 HA LYS A 427 0.031 6.713 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -2.045 4.751 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.494 3.949 4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -0.128 4.999 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -1.633 5.884 6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -2.910 4.072 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -1.935 2.970 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -0.623 2.385 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -0.529 4.026 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -1.720 2.594 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -2.764 3.786 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -2.855 2.195 8.521 1.00 0.00 H new ATOM 590 N ILE A 428 1.997 5.534 3.526 1.00 0.00 N ATOM 591 CA ILE A 428 3.196 5.105 2.816 1.00 0.00 C ATOM 592 C ILE A 428 3.593 3.689 3.216 1.00 0.00 C ATOM 593 O ILE A 428 3.454 3.299 4.374 1.00 0.00 O ATOM 594 CB ILE A 428 4.378 6.055 3.086 1.00 0.00 C ATOM 595 CG1 ILE A 428 3.953 7.508 2.868 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.558 5.701 2.193 1.00 0.00 C ATOM 597 CD1 ILE A 428 3.407 8.172 4.113 1.00 0.00 C ATOM 0 H ILE A 428 2.151 5.777 4.505 1.00 0.00 H new ATOM 0 HA ILE A 428 2.960 5.126 1.752 1.00 0.00 H new ATOM 0 HB ILE A 428 4.688 5.940 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.809 8.078 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.195 7.543 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.385 6.381 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 428 5.873 4.677 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.263 5.790 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 428 3.126 9.200 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 428 2.531 7.626 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 428 4.170 8.170 4.891 1.00 0.00 H new ATOM 609 N PHE A 429 4.088 2.923 2.248 1.00 0.00 N ATOM 610 CA PHE A 429 4.508 1.549 2.501 1.00 0.00 C ATOM 611 C PHE A 429 5.839 1.248 1.811 1.00 0.00 C ATOM 612 O PHE A 429 5.963 1.403 0.596 1.00 0.00 O ATOM 613 CB PHE A 429 3.439 0.569 2.011 1.00 0.00 C ATOM 614 CG PHE A 429 2.089 0.779 2.638 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.850 0.385 3.945 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.060 1.366 1.919 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.609 0.573 4.524 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.183 1.557 2.493 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.409 1.159 3.796 1.00 0.00 C ATOM 0 H PHE A 429 4.208 3.230 1.283 1.00 0.00 H new ATOM 0 HA PHE A 429 4.640 1.430 3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.345 0.660 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.771 -0.449 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.642 -0.074 4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.231 1.678 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.435 0.262 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.977 2.017 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.380 1.306 4.245 1.00 0.00 H new ATOM 629 N PRO A 430 6.855 0.803 2.574 1.00 0.00 N ATOM 630 CA PRO A 430 8.172 0.476 2.019 1.00 0.00 C ATOM 631 C PRO A 430 8.112 -0.713 1.066 1.00 0.00 C ATOM 632 O PRO A 430 7.184 -1.520 1.128 1.00 0.00 O ATOM 633 CB PRO A 430 9.016 0.136 3.252 1.00 0.00 C ATOM 634 CG PRO A 430 8.031 -0.240 4.303 1.00 0.00 C ATOM 635 CD PRO A 430 6.799 0.579 4.031 1.00 0.00 C ATOM 0 HA PRO A 430 8.580 1.297 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 430 9.704 -0.684 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.620 0.988 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 430 7.807 -1.306 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.425 -0.033 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 430 5.892 0.050 4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.811 1.519 4.583 1.00 0.00 H new ATOM 643 N ALA A 431 9.097 -0.812 0.180 1.00 0.00 N ATOM 644 CA ALA A 431 9.144 -1.901 -0.792 1.00 0.00 C ATOM 645 C ALA A 431 9.041 -3.260 -0.106 1.00 0.00 C ATOM 646 O ALA A 431 8.498 -4.209 -0.670 1.00 0.00 O ATOM 647 CB ALA A 431 10.422 -1.819 -1.613 1.00 0.00 C ATOM 0 H ALA A 431 9.873 -0.153 0.114 1.00 0.00 H new ATOM 0 HA ALA A 431 8.287 -1.796 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.445 -2.636 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.454 -0.867 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.285 -1.895 -0.951 1.00 0.00 H new ATOM 653 N THR A 432 9.552 -3.344 1.118 1.00 0.00 N ATOM 654 CA THR A 432 9.501 -4.586 1.879 1.00 0.00 C ATOM 655 C THR A 432 8.085 -4.847 2.379 1.00 0.00 C ATOM 656 O THR A 432 7.697 -5.994 2.605 1.00 0.00 O ATOM 657 CB THR A 432 10.472 -4.531 3.060 1.00 0.00 C ATOM 658 OG1 THR A 432 11.495 -3.580 2.824 1.00 0.00 O ATOM 659 CG2 THR A 432 11.138 -5.860 3.348 1.00 0.00 C ATOM 0 H THR A 432 10.005 -2.569 1.603 1.00 0.00 H new ATOM 0 HA THR A 432 9.797 -5.403 1.221 1.00 0.00 H new ATOM 0 HB THR A 432 9.865 -4.252 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 432 12.105 -3.558 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 432 11.814 -5.752 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 432 10.377 -6.605 3.582 1.00 0.00 H new ATOM 0 HG23 THR A 432 11.703 -6.181 2.473 1.00 0.00 H new ATOM 667 N GLU A 433 7.312 -3.776 2.537 1.00 0.00 N ATOM 668 CA GLU A 433 5.935 -3.893 2.997 1.00 0.00 C ATOM 669 C GLU A 433 4.974 -3.978 1.815 1.00 0.00 C ATOM 670 O GLU A 433 3.769 -3.777 1.971 1.00 0.00 O ATOM 671 CB GLU A 433 5.565 -2.705 3.886 1.00 0.00 C ATOM 672 CG GLU A 433 5.931 -2.903 5.349 1.00 0.00 C ATOM 673 CD GLU A 433 4.944 -2.243 6.292 1.00 0.00 C ATOM 674 OE1 GLU A 433 3.770 -2.076 5.900 1.00 0.00 O ATOM 675 OE2 GLU A 433 5.346 -1.892 7.421 1.00 0.00 O ATOM 0 H GLU A 433 7.617 -2.820 2.353 1.00 0.00 H new ATOM 0 HA GLU A 433 5.851 -4.810 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 433 6.066 -1.812 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.493 -2.524 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 433 5.978 -3.970 5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 433 6.927 -2.497 5.529 1.00 0.00 H new ATOM 682 N LYS A 434 5.509 -4.283 0.632 1.00 0.00 N ATOM 683 CA LYS A 434 4.687 -4.399 -0.567 1.00 0.00 C ATOM 684 C LYS A 434 3.560 -5.397 -0.340 1.00 0.00 C ATOM 685 O LYS A 434 2.460 -5.239 -0.867 1.00 0.00 O ATOM 686 CB LYS A 434 5.540 -4.834 -1.761 1.00 0.00 C ATOM 687 CG LYS A 434 4.951 -4.443 -3.105 1.00 0.00 C ATOM 688 CD LYS A 434 3.922 -5.457 -3.581 1.00 0.00 C ATOM 689 CE LYS A 434 4.488 -6.360 -4.666 1.00 0.00 C ATOM 690 NZ LYS A 434 3.632 -7.557 -4.896 1.00 0.00 N ATOM 0 H LYS A 434 6.503 -4.453 0.481 1.00 0.00 H new ATOM 0 HA LYS A 434 4.255 -3.422 -0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.533 -4.394 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 434 5.667 -5.916 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 434 4.486 -3.460 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 434 5.749 -4.360 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 434 3.591 -6.063 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 434 3.045 -4.935 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 434 4.581 -5.797 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 434 5.491 -6.680 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 4.053 -8.146 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 3.563 -8.109 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 2.682 -7.253 -5.189 1.00 0.00 H new ATOM 704 N GLN A 435 3.841 -6.418 0.462 1.00 0.00 N ATOM 705 CA GLN A 435 2.847 -7.435 0.777 1.00 0.00 C ATOM 706 C GLN A 435 1.693 -6.808 1.554 1.00 0.00 C ATOM 707 O GLN A 435 0.521 -6.975 1.203 1.00 0.00 O ATOM 708 CB GLN A 435 3.480 -8.567 1.595 1.00 0.00 C ATOM 709 CG GLN A 435 4.919 -8.880 1.204 1.00 0.00 C ATOM 710 CD GLN A 435 5.376 -10.238 1.700 1.00 0.00 C ATOM 711 OE1 GLN A 435 6.348 -10.343 2.448 1.00 0.00 O ATOM 712 NE2 GLN A 435 4.676 -11.286 1.285 1.00 0.00 N ATOM 0 H GLN A 435 4.748 -6.563 0.905 1.00 0.00 H new ATOM 0 HA GLN A 435 2.465 -7.853 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.451 -8.299 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.878 -9.468 1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 435 5.013 -8.843 0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.577 -8.110 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 435 3.877 -11.153 0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 435 4.937 -12.225 1.586 1.00 0.00 H new ATOM 721 N ILE A 436 2.040 -6.060 2.597 1.00 0.00 N ATOM 722 CA ILE A 436 1.044 -5.382 3.413 1.00 0.00 C ATOM 723 C ILE A 436 0.386 -4.271 2.611 1.00 0.00 C ATOM 724 O ILE A 436 -0.806 -4.003 2.755 1.00 0.00 O ATOM 725 CB ILE A 436 1.666 -4.786 4.691 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.488 -5.845 5.430 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.581 -4.222 5.596 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.931 -5.445 5.648 1.00 0.00 C ATOM 0 H ILE A 436 3.004 -5.909 2.895 1.00 0.00 H new ATOM 0 HA ILE A 436 0.300 -6.122 3.707 1.00 0.00 H new ATOM 0 HB ILE A 436 2.333 -3.972 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 436 2.025 -6.044 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 436 2.459 -6.776 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.037 -3.805 6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.037 -3.439 5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.110 -5.018 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.454 -6.242 6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 436 4.411 -5.274 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 436 3.970 -4.531 6.240 1.00 0.00 H new ATOM 740 N PHE A 437 1.176 -3.638 1.748 1.00 0.00 N ATOM 741 CA PHE A 437 0.675 -2.566 0.904 1.00 0.00 C ATOM 742 C PHE A 437 -0.375 -3.111 -0.056 1.00 0.00 C ATOM 743 O PHE A 437 -1.448 -2.530 -0.215 1.00 0.00 O ATOM 744 CB PHE A 437 1.820 -1.919 0.120 1.00 0.00 C ATOM 745 CG PHE A 437 1.354 -0.966 -0.943 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.345 -0.056 -0.678 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.921 -0.984 -2.208 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.093 0.817 -1.651 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.487 -0.110 -3.187 1.00 0.00 C ATOM 750 CZ PHE A 437 0.477 0.791 -2.908 1.00 0.00 C ATOM 0 H PHE A 437 2.165 -3.851 1.617 1.00 0.00 H new ATOM 0 HA PHE A 437 0.219 -1.806 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.470 -1.387 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.421 -2.702 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.105 -0.030 0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.709 -1.688 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.882 1.521 -1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.937 -0.131 -4.169 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.134 1.473 -3.672 1.00 0.00 H new ATOM 760 N GLU A 438 -0.061 -4.241 -0.684 1.00 0.00 N ATOM 761 CA GLU A 438 -0.982 -4.874 -1.617 1.00 0.00 C ATOM 762 C GLU A 438 -2.289 -5.199 -0.911 1.00 0.00 C ATOM 763 O GLU A 438 -3.373 -4.948 -1.438 1.00 0.00 O ATOM 764 CB GLU A 438 -0.365 -6.149 -2.197 1.00 0.00 C ATOM 765 CG GLU A 438 0.604 -5.890 -3.341 1.00 0.00 C ATOM 766 CD GLU A 438 0.126 -6.475 -4.656 1.00 0.00 C ATOM 767 OE1 GLU A 438 -0.047 -7.710 -4.728 1.00 0.00 O ATOM 768 OE2 GLU A 438 -0.075 -5.699 -5.613 1.00 0.00 O ATOM 0 H GLU A 438 0.823 -4.735 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.181 -4.183 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.157 -6.684 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.164 -6.802 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 438 0.745 -4.815 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 438 1.576 -6.314 -3.091 1.00 0.00 H new ATOM 775 N ASP A 439 -2.177 -5.739 0.298 1.00 0.00 N ATOM 776 CA ASP A 439 -3.353 -6.074 1.088 1.00 0.00 C ATOM 777 C ASP A 439 -4.088 -4.800 1.494 1.00 0.00 C ATOM 778 O ASP A 439 -5.318 -4.763 1.538 1.00 0.00 O ATOM 779 CB ASP A 439 -2.952 -6.868 2.334 1.00 0.00 C ATOM 780 CG ASP A 439 -4.151 -7.292 3.159 1.00 0.00 C ATOM 781 OD1 ASP A 439 -4.989 -8.058 2.640 1.00 0.00 O ATOM 782 OD2 ASP A 439 -4.251 -6.859 4.326 1.00 0.00 O ATOM 0 H ASP A 439 -1.288 -5.953 0.749 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.017 -6.691 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.390 -7.752 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -2.287 -6.262 2.949 1.00 0.00 H new ATOM 787 N HIS A 440 -3.317 -3.753 1.785 1.00 0.00 N ATOM 788 CA HIS A 440 -3.883 -2.470 2.186 1.00 0.00 C ATOM 789 C HIS A 440 -4.700 -1.856 1.053 1.00 0.00 C ATOM 790 O HIS A 440 -5.829 -1.412 1.262 1.00 0.00 O ATOM 791 CB HIS A 440 -2.766 -1.511 2.603 1.00 0.00 C ATOM 792 CG HIS A 440 -3.257 -0.165 3.034 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.862 0.080 4.246 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.216 1.029 2.389 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.163 1.386 4.299 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.789 2.005 3.197 1.00 0.00 N ATOM 0 H HIS A 440 -2.298 -3.770 1.750 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.546 -2.640 3.034 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.200 -1.960 3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.076 -1.386 1.768 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -4.048 -0.609 4.974 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.804 1.195 1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.648 1.867 5.135 1.00 0.00 H new ATOM 804 N VAL A 441 -4.131 -1.841 -0.150 1.00 0.00 N ATOM 805 CA VAL A 441 -4.826 -1.287 -1.308 1.00 0.00 C ATOM 806 C VAL A 441 -6.030 -2.147 -1.667 1.00 0.00 C ATOM 807 O VAL A 441 -7.050 -1.643 -2.136 1.00 0.00 O ATOM 808 CB VAL A 441 -3.907 -1.173 -2.546 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.416 -0.089 -3.483 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.468 -0.893 -2.142 1.00 0.00 C ATOM 0 H VAL A 441 -3.198 -2.203 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.148 -0.284 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.927 -2.129 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.759 -0.020 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.426 -0.336 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.429 0.867 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.847 -0.818 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.421 0.045 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.102 -1.704 -1.513 1.00 0.00 H new ATOM 820 N PHE A 442 -5.904 -3.450 -1.436 1.00 0.00 N ATOM 821 CA PHE A 442 -6.981 -4.387 -1.729 1.00 0.00 C ATOM 822 C PHE A 442 -8.202 -4.092 -0.866 1.00 0.00 C ATOM 823 O PHE A 442 -9.333 -4.101 -1.351 1.00 0.00 O ATOM 824 CB PHE A 442 -6.511 -5.826 -1.496 1.00 0.00 C ATOM 825 CG PHE A 442 -6.244 -6.581 -2.766 1.00 0.00 C ATOM 826 CD1 PHE A 442 -7.220 -6.684 -3.743 1.00 0.00 C ATOM 827 CD2 PHE A 442 -5.018 -7.190 -2.982 1.00 0.00 C ATOM 828 CE1 PHE A 442 -6.980 -7.379 -4.913 1.00 0.00 C ATOM 829 CE2 PHE A 442 -4.771 -7.887 -4.150 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.753 -7.982 -5.117 1.00 0.00 C ATOM 0 H PHE A 442 -5.065 -3.881 -1.046 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.260 -4.270 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.602 -5.810 -0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.267 -6.358 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -8.181 -6.215 -3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -4.247 -7.119 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -7.750 -7.451 -5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -3.811 -8.357 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.562 -8.526 -6.030 1.00 0.00 H new ATOM 840 N CYS A 443 -7.967 -3.824 0.415 1.00 0.00 N ATOM 841 CA CYS A 443 -9.052 -3.522 1.344 1.00 0.00 C ATOM 842 C CYS A 443 -9.905 -2.369 0.824 1.00 0.00 C ATOM 843 O CYS A 443 -11.105 -2.300 1.089 1.00 0.00 O ATOM 844 CB CYS A 443 -8.487 -3.169 2.722 1.00 0.00 C ATOM 845 SG CYS A 443 -9.654 -3.414 4.082 1.00 0.00 S ATOM 0 H CYS A 443 -7.037 -3.810 0.833 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.681 -4.408 1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.599 -3.775 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.166 -2.127 2.716 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.085 -3.091 5.205 1.00 0.00 H new ATOM 851 N HIS A 444 -9.273 -1.468 0.082 1.00 0.00 N ATOM 852 CA HIS A 444 -9.963 -0.316 -0.481 1.00 0.00 C ATOM 853 C HIS A 444 -10.749 -0.701 -1.733 1.00 0.00 C ATOM 854 O HIS A 444 -11.667 0.009 -2.143 1.00 0.00 O ATOM 855 CB HIS A 444 -8.954 0.786 -0.808 1.00 0.00 C ATOM 856 CG HIS A 444 -7.945 0.998 0.276 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.235 0.905 1.618 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.622 1.293 0.199 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.107 1.139 2.301 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.099 1.379 1.485 1.00 0.00 N ATOM 0 H HIS A 444 -8.279 -1.514 -0.144 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.672 0.054 0.260 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.437 0.534 -1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.489 1.719 -0.986 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.148 0.695 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.065 1.438 -0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.033 1.132 3.378 1.00 0.00 H new ATOM 868 N SER A 445 -10.385 -1.830 -2.338 1.00 0.00 N ATOM 869 CA SER A 445 -11.059 -2.304 -3.540 1.00 0.00 C ATOM 870 C SER A 445 -12.135 -3.337 -3.203 1.00 0.00 C ATOM 871 O SER A 445 -12.991 -3.644 -4.032 1.00 0.00 O ATOM 872 CB SER A 445 -10.045 -2.908 -4.512 1.00 0.00 C ATOM 873 OG SER A 445 -9.552 -4.147 -4.032 1.00 0.00 O ATOM 0 H SER A 445 -9.628 -2.431 -2.014 1.00 0.00 H new ATOM 0 HA SER A 445 -11.544 -1.448 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 445 -10.512 -3.052 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 445 -9.216 -2.214 -4.655 1.00 0.00 H new ATOM 0 HG SER A 445 -9.568 -4.148 -3.052 1.00 0.00 H new ATOM 879 N LEU A 446 -12.089 -3.869 -1.983 1.00 0.00 N ATOM 880 CA LEU A 446 -13.065 -4.864 -1.549 1.00 0.00 C ATOM 881 C LEU A 446 -14.143 -4.224 -0.681 1.00 0.00 C ATOM 882 O LEU A 446 -15.225 -4.832 -0.538 1.00 0.00 O ATOM 883 CB LEU A 446 -12.374 -5.990 -0.776 1.00 0.00 C ATOM 884 CG LEU A 446 -11.227 -6.681 -1.518 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.732 -7.887 -0.734 1.00 0.00 C ATOM 886 CD2 LEU A 446 -11.666 -7.097 -2.914 1.00 0.00 C ATOM 887 OXT LEU A 446 -13.896 -3.121 -0.150 1.00 0.00 O ATOM 0 H LEU A 446 -11.389 -3.628 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.538 -5.282 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -11.988 -5.584 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -13.120 -6.740 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.405 -5.972 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.917 -8.365 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.376 -7.564 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.548 -8.598 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -10.837 -7.586 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -12.506 -7.788 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -11.970 -6.215 -3.478 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.070 3.048 2.058 1.00 0.00 ZN