USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 631 hydrogens (496 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 Single : A 65 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 68 CYS SG : rot -107:sc= 1.31 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 3.18 (180deg=2.97) USER MOD Single : A 75 SER OG : rot -46:sc= 1.28 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 1.28 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -11.206 -8.125 -4.570 1.00 0.00 N ATOM 2 CA PRO A 62 -10.667 -7.037 -3.721 1.00 0.00 C ATOM 3 C PRO A 62 -9.912 -7.573 -2.498 1.00 0.00 C ATOM 4 O PRO A 62 -10.037 -8.750 -2.167 1.00 0.00 O ATOM 5 CB PRO A 62 -11.845 -6.122 -3.323 1.00 0.00 C ATOM 6 CG PRO A 62 -12.996 -6.563 -4.223 1.00 0.00 C ATOM 7 CD PRO A 62 -12.666 -8.034 -4.395 1.00 0.00 C ATOM 0 HA PRO A 62 -9.928 -6.465 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.099 -6.238 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.601 -5.071 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.969 -6.408 -3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.008 -6.027 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.987 -8.607 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.186 -8.448 -5.259 1.00 0.00 H new ATOM 15 N PHE A 63 -9.244 -6.678 -1.767 1.00 0.00 N ATOM 16 CA PHE A 63 -8.667 -6.934 -0.444 1.00 0.00 C ATOM 17 C PHE A 63 -8.617 -5.622 0.373 1.00 0.00 C ATOM 18 O PHE A 63 -9.297 -4.654 0.024 1.00 0.00 O ATOM 19 CB PHE A 63 -7.293 -7.613 -0.622 1.00 0.00 C ATOM 20 CG PHE A 63 -6.893 -8.474 0.560 1.00 0.00 C ATOM 21 CD1 PHE A 63 -7.580 -9.679 0.803 1.00 0.00 C ATOM 22 CD2 PHE A 63 -5.857 -8.078 1.427 1.00 0.00 C ATOM 23 CE1 PHE A 63 -7.244 -10.473 1.914 1.00 0.00 C ATOM 24 CE2 PHE A 63 -5.529 -8.864 2.545 1.00 0.00 C ATOM 25 CZ PHE A 63 -6.221 -10.064 2.788 1.00 0.00 C ATOM 0 H PHE A 63 -9.084 -5.724 -2.090 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.289 -7.619 0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.313 -8.229 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.534 -6.846 -0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.367 -9.994 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.312 -7.166 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.772 -11.397 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.746 -8.547 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.967 -10.671 3.645 1.00 0.00 H new ATOM 35 N ALA A 64 -7.826 -5.564 1.449 1.00 0.00 N ATOM 36 CA ALA A 64 -7.644 -4.367 2.282 1.00 0.00 C ATOM 37 C ALA A 64 -6.173 -4.150 2.714 1.00 0.00 C ATOM 38 O ALA A 64 -5.301 -4.968 2.395 1.00 0.00 O ATOM 39 CB ALA A 64 -8.598 -4.466 3.487 1.00 0.00 C ATOM 0 H ALA A 64 -7.282 -6.364 1.774 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.891 -3.485 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.479 -3.586 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.627 -4.521 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.364 -5.361 4.064 1.00 0.00 H new ATOM 45 N CYS A 65 -5.884 -2.972 3.275 1.00 0.00 N ATOM 46 CA CYS A 65 -4.625 -2.599 3.920 1.00 0.00 C ATOM 47 C CYS A 65 -4.835 -2.439 5.433 1.00 0.00 C ATOM 48 O CYS A 65 -5.564 -1.526 5.825 1.00 0.00 O ATOM 49 CB CYS A 65 -4.130 -1.255 3.357 1.00 0.00 C ATOM 50 SG CYS A 65 -4.164 -1.202 1.554 1.00 0.00 S ATOM 0 H CYS A 65 -6.563 -2.211 3.291 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.892 -3.383 3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.749 -0.450 3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.112 -1.073 3.703 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.738 -0.044 1.146 1.00 0.00 H new ATOM 55 N ASP A 66 -3.879 -2.942 6.212 1.00 0.00 N ATOM 56 CA ASP A 66 -3.797 -2.635 7.648 1.00 0.00 C ATOM 57 C ASP A 66 -3.292 -1.203 7.908 1.00 0.00 C ATOM 58 O ASP A 66 -3.835 -0.498 8.756 1.00 0.00 O ATOM 59 CB ASP A 66 -2.902 -3.673 8.344 1.00 0.00 C ATOM 60 CG ASP A 66 -3.476 -5.099 8.331 1.00 0.00 C ATOM 61 OD1 ASP A 66 -2.659 -6.036 8.486 1.00 0.00 O ATOM 62 OD2 ASP A 66 -4.646 -5.284 7.923 1.00 0.00 O ATOM 0 H ASP A 66 -3.146 -3.566 5.876 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.802 -2.689 8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.926 -3.680 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.742 -3.366 9.377 1.00 0.00 H new ATOM 67 N ILE A 67 -2.386 -0.699 7.058 1.00 0.00 N ATOM 68 CA ILE A 67 -1.797 0.646 7.199 1.00 0.00 C ATOM 69 C ILE A 67 -2.798 1.783 6.904 1.00 0.00 C ATOM 70 O ILE A 67 -2.795 2.777 7.632 1.00 0.00 O ATOM 71 CB ILE A 67 -0.505 0.766 6.346 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.617 -0.184 6.836 1.00 0.00 C ATOM 73 CG2 ILE A 67 0.026 2.213 6.264 1.00 0.00 C ATOM 74 CD1 ILE A 67 1.171 0.100 8.244 1.00 0.00 C ATOM 0 H ILE A 67 -2.038 -1.213 6.249 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.526 0.769 8.248 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.797 0.460 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.237 -1.205 6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.442 -0.137 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.930 2.235 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.731 2.853 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.255 2.574 7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.949 -0.625 8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.590 1.106 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.366 0.021 8.975 1.00 0.00 H new ATOM 86 N CYS A 68 -3.712 1.595 5.941 1.00 0.00 N ATOM 87 CA CYS A 68 -4.774 2.556 5.601 1.00 0.00 C ATOM 88 C CYS A 68 -6.117 2.284 6.332 1.00 0.00 C ATOM 89 O CYS A 68 -6.990 3.152 6.348 1.00 0.00 O ATOM 90 CB CYS A 68 -4.979 2.570 4.073 1.00 0.00 C ATOM 91 SG CYS A 68 -3.581 3.354 3.203 1.00 0.00 S ATOM 0 H CYS A 68 -3.735 0.754 5.364 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.444 3.535 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.102 1.548 3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.899 3.104 3.836 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.945 4.520 2.759 1.00 0.00 H new ATOM 96 N GLY A 69 -6.358 1.044 6.780 1.00 0.00 N ATOM 97 CA GLY A 69 -7.658 0.570 7.288 1.00 0.00 C ATOM 98 C GLY A 69 -8.745 0.371 6.212 1.00 0.00 C ATOM 99 O GLY A 69 -9.942 0.401 6.525 1.00 0.00 O ATOM 0 H GLY A 69 -5.637 0.323 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.505 -0.376 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.025 1.283 8.026 1.00 0.00 H new ATOM 103 N ARG A 70 -8.364 0.385 4.923 1.00 0.00 N ATOM 104 CA ARG A 70 -9.272 0.540 3.764 1.00 0.00 C ATOM 105 C ARG A 70 -8.905 -0.342 2.564 1.00 0.00 C ATOM 106 O ARG A 70 -8.014 -1.179 2.650 1.00 0.00 O ATOM 107 CB ARG A 70 -9.378 2.029 3.370 1.00 0.00 C ATOM 108 CG ARG A 70 -10.168 2.820 4.423 1.00 0.00 C ATOM 109 CD ARG A 70 -10.675 4.163 3.892 1.00 0.00 C ATOM 110 NE ARG A 70 -11.555 4.811 4.882 1.00 0.00 N ATOM 111 CZ ARG A 70 -11.175 5.580 5.885 1.00 0.00 C ATOM 112 NH1 ARG A 70 -12.038 5.997 6.761 1.00 0.00 N ATOM 113 NH2 ARG A 70 -9.942 5.962 6.036 1.00 0.00 N ATOM 0 H ARG A 70 -7.387 0.286 4.646 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.252 0.184 4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.380 2.453 3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.867 2.119 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.016 2.223 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.534 2.993 5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.830 4.814 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.218 4.010 2.959 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.557 4.649 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.019 5.731 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.735 6.591 7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.231 5.667 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.685 6.557 6.824 1.00 0.00 H new ATOM 127 N LYS A 71 -9.844 -0.396 1.615 1.00 0.00 N ATOM 128 CA LYS A 71 -9.946 -1.384 0.527 1.00 0.00 C ATOM 129 C LYS A 71 -8.900 -1.167 -0.574 1.00 0.00 C ATOM 130 O LYS A 71 -8.626 -0.024 -0.935 1.00 0.00 O ATOM 131 CB LYS A 71 -11.364 -1.319 -0.064 1.00 0.00 C ATOM 132 CG LYS A 71 -12.417 -1.891 0.900 1.00 0.00 C ATOM 133 CD LYS A 71 -13.850 -1.532 0.498 1.00 0.00 C ATOM 134 CE LYS A 71 -14.213 -2.080 -0.887 1.00 0.00 C ATOM 135 NZ LYS A 71 -15.532 -1.568 -1.316 1.00 0.00 N ATOM 0 H LYS A 71 -10.600 0.288 1.580 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.748 -2.370 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.612 -0.284 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.392 -1.874 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.317 -2.976 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.223 -1.518 1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.544 -1.929 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.967 -0.448 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.451 -1.791 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.230 -3.170 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.832 -2.063 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.230 -1.732 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.463 -0.548 -1.508 1.00 0.00 H new ATOM 149 N PHE A 72 -8.638 -2.224 -1.344 1.00 0.00 N ATOM 150 CA PHE A 72 -7.958 -2.151 -2.644 1.00 0.00 C ATOM 151 C PHE A 72 -8.390 -3.286 -3.592 1.00 0.00 C ATOM 152 O PHE A 72 -9.099 -4.202 -3.174 1.00 0.00 O ATOM 153 CB PHE A 72 -6.436 -2.129 -2.416 1.00 0.00 C ATOM 154 CG PHE A 72 -5.685 -1.330 -3.459 1.00 0.00 C ATOM 155 CD1 PHE A 72 -4.756 -1.945 -4.318 1.00 0.00 C ATOM 156 CD2 PHE A 72 -5.910 0.058 -3.553 1.00 0.00 C ATOM 157 CE1 PHE A 72 -4.052 -1.167 -5.253 1.00 0.00 C ATOM 158 CE2 PHE A 72 -5.217 0.826 -4.504 1.00 0.00 C ATOM 159 CZ PHE A 72 -4.284 0.213 -5.357 1.00 0.00 C ATOM 0 H PHE A 72 -8.896 -3.175 -1.079 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.252 -1.228 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.229 -1.711 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.061 -3.153 -2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.585 -3.010 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.618 0.534 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.324 -1.636 -5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.402 1.887 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.749 0.800 -6.088 1.00 0.00 H new ATOM 169 N ALA A 73 -8.047 -3.184 -4.879 1.00 0.00 N ATOM 170 CA ALA A 73 -8.440 -4.153 -5.912 1.00 0.00 C ATOM 171 C ALA A 73 -7.585 -5.441 -5.880 1.00 0.00 C ATOM 172 O ALA A 73 -7.892 -6.364 -5.122 1.00 0.00 O ATOM 173 CB ALA A 73 -8.454 -3.439 -7.271 1.00 0.00 C ATOM 0 H ALA A 73 -7.481 -2.416 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.448 -4.515 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.744 -4.144 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.168 -2.616 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.460 -3.049 -7.487 1.00 0.00 H new ATOM 179 N ARG A 74 -6.468 -5.459 -6.624 1.00 0.00 N ATOM 180 CA ARG A 74 -5.430 -6.509 -6.601 1.00 0.00 C ATOM 181 C ARG A 74 -4.088 -5.911 -7.027 1.00 0.00 C ATOM 182 O ARG A 74 -3.319 -5.548 -6.146 1.00 0.00 O ATOM 183 CB ARG A 74 -5.857 -7.715 -7.466 1.00 0.00 C ATOM 184 CG ARG A 74 -4.762 -8.794 -7.531 1.00 0.00 C ATOM 185 CD ARG A 74 -5.163 -9.984 -8.412 1.00 0.00 C ATOM 186 NE ARG A 74 -4.022 -10.905 -8.561 1.00 0.00 N ATOM 187 CZ ARG A 74 -3.673 -11.836 -7.695 1.00 0.00 C ATOM 188 NH1 ARG A 74 -4.500 -12.312 -6.812 1.00 0.00 N ATOM 189 NH2 ARG A 74 -2.469 -12.322 -7.683 1.00 0.00 N ATOM 0 H ARG A 74 -6.252 -4.714 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.309 -6.890 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.770 -8.149 -7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.090 -7.373 -8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.844 -8.352 -7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.545 -9.149 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.009 -10.508 -7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.486 -9.630 -9.391 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.455 -10.815 -9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.458 -11.965 -6.772 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.190 -13.032 -6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.776 -11.984 -8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.216 -13.042 -7.006 1.00 0.00 H new ATOM 203 N SER A 75 -4.029 -5.486 -8.296 1.00 0.00 N ATOM 204 CA SER A 75 -3.049 -4.539 -8.849 1.00 0.00 C ATOM 205 C SER A 75 -1.591 -5.016 -8.745 1.00 0.00 C ATOM 206 O SER A 75 -0.909 -4.792 -7.749 1.00 0.00 O ATOM 207 CB SER A 75 -3.248 -3.149 -8.236 1.00 0.00 C ATOM 208 OG SER A 75 -4.627 -2.795 -8.182 1.00 0.00 O ATOM 0 H SER A 75 -4.694 -5.808 -8.999 1.00 0.00 H new ATOM 0 HA SER A 75 -3.242 -4.479 -9.920 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.827 -3.130 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.704 -2.410 -8.824 1.00 0.00 H new ATOM 0 HG SER A 75 -5.052 -3.002 -9.041 1.00 0.00 H new HETATM 214 N OUD A 76 -1.152 -5.780 -9.765 1.00 0.00 N HETATM 215 CA OUD A 76 0.211 -6.328 -9.868 1.00 0.00 C HETATM 216 C OUD A 76 1.405 -3.315 -9.986 1.00 0.00 C HETATM 217 O OUD A 76 1.875 -3.815 -8.974 1.00 0.00 O HETATM 218 CB OUD A 76 0.122 -7.853 -10.092 1.00 0.00 C HETATM 219 CG OUD A 76 1.463 -8.560 -10.132 1.00 0.00 C HETATM 220 OD1 OUD A 76 1.879 -9.053 -9.107 1.00 0.00 O HETATM 221 OD2 OUD A 76 1.946 -8.795 -11.220 1.00 0.00 O HETATM 222 CM OUD A 76 1.014 -5.623 -10.993 1.00 0.00 C HETATM 223 N2 OUD A 76 0.884 -4.151 -10.992 1.00 0.00 N HETATM 231 N OUE A 77 0.762 -2.063 -9.920 1.00 0.00 N HETATM 232 CA OUE A 77 1.139 -1.014 -8.957 1.00 0.00 C HETATM 233 C OUE A 77 -0.577 -2.050 -5.707 1.00 0.00 C HETATM 234 O OUE A 77 -0.249 -1.157 -4.937 1.00 0.00 O HETATM 235 CB OUE A 77 1.337 0.343 -9.681 1.00 0.00 C HETATM 236 CG OUE A 77 2.760 0.537 -10.268 1.00 0.00 C HETATM 237 CD OUE A 77 3.177 -0.521 -11.265 1.00 0.00 C HETATM 238 OE1 OUE A 77 2.423 -0.792 -12.174 1.00 0.00 O HETATM 239 OE2 OUE A 77 4.314 -0.947 -11.198 1.00 0.00 O HETATM 240 CM OUE A 77 0.067 -0.844 -7.855 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.118 -2.051 -7.040 1.00 0.00 N HETATM 251 N OUK A 78 -0.886 -3.335 -5.209 1.00 0.00 N HETATM 252 CA OUK A 78 -0.100 -3.973 -4.142 1.00 0.00 C HETATM 253 C OUK A 78 3.041 -3.698 -5.572 1.00 0.00 C HETATM 254 O OUK A 78 3.355 -3.311 -4.451 1.00 0.00 O HETATM 255 CB OUK A 78 -1.026 -4.788 -3.198 1.00 0.00 C HETATM 256 CG OUK A 78 -1.941 -3.904 -2.317 1.00 0.00 C HETATM 257 CD OUK A 78 -2.987 -4.754 -1.558 1.00 0.00 C HETATM 258 CE OUK A 78 -3.756 -3.906 -0.521 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.237 -3.972 0.895 1.00 0.00 N HETATM 260 CM OUK A 78 0.967 -4.925 -4.738 1.00 0.00 C HETATM 261 N2 OUK A 78 1.794 -4.314 -5.785 1.00 0.00 N HETATM 278 N OUR A 79 3.490 -3.011 -6.712 1.00 0.00 N HETATM 279 CA OUR A 79 4.751 -2.263 -6.811 1.00 0.00 C HETATM 280 C OUR A 79 3.113 0.937 -5.491 1.00 0.00 C HETATM 281 O OUR A 79 3.963 1.763 -5.183 1.00 0.00 O HETATM 282 CB OUR A 79 5.398 -2.498 -8.199 1.00 0.00 C HETATM 283 CG OUR A 79 5.849 -3.952 -8.457 1.00 0.00 C HETATM 284 CD OUR A 79 6.253 -4.111 -9.939 1.00 0.00 C HETATM 285 NE OUR A 79 6.855 -5.421 -10.203 1.00 0.00 N HETATM 286 CZ OUR A 79 7.238 -5.868 -11.409 1.00 0.00 C HETATM 287 NH1 OUR A 79 6.543 -5.554 -12.508 1.00 0.00 N HETATM 288 NH2 OUR A 79 8.359 -6.584 -11.530 1.00 0.00 N HETATM 289 CM OUR A 79 4.531 -0.740 -6.650 1.00 0.00 C HETATM 290 N2 OUR A 79 3.507 -0.397 -5.663 1.00 0.00 N HETATM 307 N OUH A 80 1.805 1.051 -4.985 1.00 0.00 N HETATM 308 CA OUH A 80 1.532 1.633 -3.665 1.00 0.00 C HETATM 309 C OUH A 80 3.373 -0.681 -1.591 1.00 0.00 C HETATM 310 O OUH A 80 2.989 -0.562 -0.427 1.00 0.00 O HETATM 311 CB OUH A 80 0.320 2.604 -3.717 1.00 0.00 C HETATM 312 CG OUH A 80 -0.870 2.167 -2.918 1.00 0.00 C HETATM 313 CD2 OUH A 80 -1.043 2.434 -1.576 1.00 0.00 C HETATM 314 ND1 OUH A 80 -1.909 1.352 -3.283 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.621 1.213 -2.133 1.00 0.00 C HETATM 316 NE2 OUH A 80 -2.097 1.839 -1.129 1.00 0.00 N HETATM 317 CM OUH A 80 1.390 0.532 -2.579 1.00 0.00 C HETATM 318 N2 OUH A 80 2.457 -0.469 -2.628 1.00 0.00 N HETATM 329 N OUK A 81 4.235 -1.740 -1.891 1.00 0.00 N HETATM 330 CA OUK A 81 5.561 -1.829 -1.269 1.00 0.00 C HETATM 331 C OUK A 81 6.571 1.204 -2.159 1.00 0.00 C HETATM 332 O OUK A 81 6.768 1.218 -0.949 1.00 0.00 O HETATM 333 CB OUK A 81 5.867 -3.281 -0.837 1.00 0.00 C HETATM 334 CG OUK A 81 4.862 -3.817 0.214 1.00 0.00 C HETATM 335 CD OUK A 81 5.150 -5.303 0.525 1.00 0.00 C HETATM 336 CE OUK A 81 4.167 -5.883 1.558 1.00 0.00 C HETATM 337 NZ OUK A 81 4.425 -5.462 2.982 1.00 0.00 N HETATM 338 CM OUK A 81 6.660 -1.331 -2.240 1.00 0.00 C HETATM 339 N2 OUK A 81 6.372 -0.017 -2.832 1.00 0.00 N HETATM 356 N OUI A 82 5.969 2.300 -2.806 1.00 0.00 N HETATM 357 CA OUI A 82 5.818 3.637 -2.206 1.00 0.00 C HETATM 358 C OUI A 82 3.273 3.345 0.141 1.00 0.00 C HETATM 359 O OUI A 82 2.483 4.266 0.305 1.00 0.00 O HETATM 360 CB OUI A 82 6.584 4.737 -2.999 1.00 0.00 C HETATM 361 CG1 OUI A 82 6.127 4.829 -4.483 1.00 0.00 C HETATM 362 CG2 OUI A 82 8.110 4.499 -2.886 1.00 0.00 C HETATM 363 CD1 OUI A 82 6.736 6.035 -5.226 1.00 0.00 C HETATM 364 CM OUI A 82 4.323 3.991 -2.027 1.00 0.00 C HETATM 365 N2 OUI A 82 3.651 3.014 -1.166 1.00 0.00 N HETATM 380 N OUH A 83 3.138 2.213 0.957 1.00 0.00 N HETATM 381 CA OUH A 83 3.285 2.330 2.414 1.00 0.00 C HETATM 382 C OUH A 83 6.871 1.271 2.754 1.00 0.00 C HETATM 383 O OUH A 83 6.752 0.510 3.707 1.00 0.00 O HETATM 384 CB OUH A 83 2.729 1.086 3.140 1.00 0.00 C HETATM 385 CG OUH A 83 1.330 0.712 2.710 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.322 1.578 2.342 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.821 -0.553 2.540 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.439 -0.327 2.068 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.724 0.925 1.944 1.00 0.00 N HETATM 390 CM OUH A 83 4.757 2.589 2.808 1.00 0.00 C HETATM 391 N2 OUH A 83 5.708 1.719 2.110 1.00 0.00 N ATOM 402 N ARG A 84 7.922 1.046 1.848 1.00 0.00 N ATOM 403 CA ARG A 84 9.281 0.699 2.287 1.00 0.00 C ATOM 404 C ARG A 84 10.112 1.915 2.738 1.00 0.00 C ATOM 405 O ARG A 84 10.797 1.838 3.763 1.00 0.00 O ATOM 406 CB ARG A 84 9.970 -0.093 1.152 1.00 0.00 C ATOM 407 CG ARG A 84 11.421 -0.497 1.472 1.00 0.00 C ATOM 408 CD ARG A 84 11.977 -1.572 0.520 1.00 0.00 C ATOM 409 NE ARG A 84 11.875 -1.190 -0.899 1.00 0.00 N ATOM 410 CZ ARG A 84 12.767 -1.353 -1.857 1.00 0.00 C ATOM 411 NH1 ARG A 84 12.488 -1.045 -3.097 1.00 0.00 N ATOM 412 NH2 ARG A 84 13.966 -1.791 -1.628 1.00 0.00 N ATOM 0 H ARG A 84 7.816 1.107 0.835 1.00 0.00 H new ATOM 0 HA ARG A 84 9.208 0.079 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.389 -0.992 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.962 0.509 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.057 0.387 1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.470 -0.867 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.022 -1.762 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.437 -2.505 0.679 1.00 0.00 H new ATOM 0 HE ARG A 84 11.002 -0.742 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.569 -0.672 -3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.189 -1.177 -3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.251 -2.024 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.624 -1.902 -2.399 1.00 0.00 H new ATOM 426 N LYS A 85 9.985 3.045 2.033 1.00 0.00 N ATOM 427 CA LYS A 85 10.589 4.339 2.400 1.00 0.00 C ATOM 428 C LYS A 85 9.828 5.512 1.766 1.00 0.00 C ATOM 429 O LYS A 85 9.149 5.338 0.754 1.00 0.00 O ATOM 430 CB LYS A 85 12.084 4.363 2.006 1.00 0.00 C ATOM 431 CG LYS A 85 12.905 5.288 2.929 1.00 0.00 C ATOM 432 CD LYS A 85 14.417 5.258 2.659 1.00 0.00 C ATOM 433 CE LYS A 85 14.839 5.906 1.339 1.00 0.00 C ATOM 434 NZ LYS A 85 14.553 7.354 1.317 1.00 0.00 N ATOM 0 H LYS A 85 9.446 3.090 1.168 1.00 0.00 H new ATOM 0 HA LYS A 85 10.516 4.455 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.488 3.352 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.183 4.699 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.546 6.311 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.726 5.002 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.929 5.764 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.754 4.221 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.905 5.745 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.317 5.421 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.217 7.829 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.579 7.511 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.661 7.744 2.275 1.00 0.00 H new ATOM 448 N ASP A 86 9.978 6.675 2.392 1.00 0.00 N ATOM 449 CA ASP A 86 9.830 8.012 1.798 1.00 0.00 C ATOM 450 C ASP A 86 10.797 8.235 0.624 1.00 0.00 C ATOM 451 O ASP A 86 11.961 7.804 0.715 1.00 0.00 O ATOM 452 CB ASP A 86 10.065 9.029 2.935 1.00 0.00 C ATOM 453 CG ASP A 86 10.403 10.450 2.461 1.00 0.00 C ATOM 454 OD1 ASP A 86 9.435 11.252 2.487 1.00 0.00 O ATOM 455 OD2 ASP A 86 11.552 10.839 2.779 1.00 0.00 O ATOM 456 OXT ASP A 86 10.469 9.085 -0.236 1.00 0.00 O ATOM 0 H ASP A 86 10.219 6.719 3.382 1.00 0.00 H new ATOM 0 HA ASP A 86 8.834 8.131 1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.172 9.071 3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.877 8.668 3.566 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.736 1.404 1.174 1.00 0.00 ZN HETATM 463 O HOH A 201 -0.319 -6.926 8.016 1.00 0.00 O HETATM 466 O HOH A 202 -7.001 -4.574 8.770 1.00 0.00 O HETATM 469 O HOH A 203 8.066 12.118 0.445 1.00 0.00 O HETATM 472 O HOH A 204 -2.259 -8.325 9.671 1.00 0.00 O HETATM 475 O HOH A 205 0.226 -0.093 -13.406 1.00 0.00 O HETATM 478 O HOH A 206 6.854 -0.373 -11.508 1.00 0.00 O HETATM 481 O HOH A 207 7.455 11.346 4.224 1.00 0.00 O HETATM 484 O HOH A 208 8.965 13.652 3.479 1.00 0.00 O HETATM 487 O HOH A 209 -5.406 -2.569 -10.701 1.00 0.00 O HETATM 490 O HOH A 210 -9.479 2.470 -0.674 1.00 0.00 O HETATM 493 O HOH A 211 4.050 -10.355 -9.906 1.00 0.00 O HETATM 496 O HOH A 212 -3.826 1.522 10.484 1.00 0.00 O HETATM 499 O HOH A 213 0.021 -10.560 -11.883 1.00 0.00 O HETATM 502 O HOH A 214 -4.444 4.289 9.165 1.00 0.00 O HETATM 505 O HOH A 215 -11.035 2.629 7.644 1.00 0.00 O HETATM 508 O HOH A 216 4.396 -7.796 -11.926 1.00 0.00 O HETATM 511 O HOH A 217 -6.788 5.213 8.213 1.00 0.00 O HETATM 514 O HOH A 218 1.898 -6.308 3.825 1.00 0.00 O HETATM 517 O HOH A 219 -1.085 -5.707 1.392 1.00 0.00 O HETATM 520 O HOH A 220 -3.055 -14.264 -5.391 1.00 0.00 O HETATM 523 O HOH A 221 -14.719 1.112 -1.621 1.00 0.00 O HETATM 526 O HOH A 222 5.089 -3.933 5.263 1.00 0.00 O HETATM 529 O HOH A 223 -1.442 2.657 10.111 1.00 0.00 O HETATM 532 O HOH A 224 -9.068 8.433 7.099 1.00 0.00 O HETATM 535 O HOH A 225 -10.610 6.441 9.162 1.00 0.00 O HETATM 538 O HOH A 226 -7.027 -13.086 -7.841 1.00 0.00 O HETATM 541 O HOH A 227 15.439 -2.809 0.573 1.00 0.00 O HETATM 544 O HOH A 228 -17.319 -1.927 0.873 1.00 0.00 O HETATM 547 O HOH A 229 -15.751 -3.142 -3.688 1.00 0.00 O HETATM 550 O HOH A 230 -11.049 -6.965 -7.177 1.00 0.00 O HETATM 553 O HOH A 231 -2.511 -10.204 -10.900 1.00 0.00 O HETATM 556 O HOH A 232 -0.249 -11.973 -9.483 1.00 0.00 O HETATM 559 O HOH A 233 -0.229 5.252 0.298 1.00 0.00 O HETATM 562 O HOH A 234 0.492 -2.040 -0.338 1.00 0.00 O HETATM 565 O HOH A 235 6.977 -6.468 3.955 1.00 0.00 O HETATM 568 O HOH A 236 -13.834 3.108 5.557 1.00 0.00 O HETATM 571 O HOH A 237 6.668 -2.434 3.543 1.00 0.00 O HETATM 574 O HOH A 238 -11.721 -11.057 -4.832 1.00 0.00 O HETATM 577 O HOH A 239 9.926 -6.128 -14.052 1.00 0.00 O HETATM 580 O HOH A 240 10.896 3.883 5.970 1.00 0.00 O HETATM 583 O HOH A 241 3.928 -6.054 -13.963 1.00 0.00 O HETATM 586 O HOH A 242 10.402 -7.527 -9.482 1.00 0.00 O HETATM 589 O HOH A 243 7.691 -5.381 -15.340 1.00 0.00 O HETATM 592 O HOH A 244 -1.088 -14.844 -8.983 1.00 0.00 O HETATM 595 O HOH A 245 15.995 -4.224 -1.639 1.00 0.00 O HETATM 598 O HOH A 246 9.677 -3.495 -1.196 1.00 0.00 O HETATM 601 O HOH A 247 -14.702 7.133 5.379 1.00 0.00 O HETATM 604 O HOH A 248 10.193 -4.090 -12.382 1.00 0.00 O HETATM 607 O HOH A 249 10.560 -4.836 -9.815 1.00 0.00 O HETATM 610 O HOH A 250 1.674 3.920 -6.607 1.00 0.00 O HETATM 613 O HOH A 251 6.307 -8.993 -10.421 1.00 0.00 O HETATM 616 O HOH A 252 -13.022 0.495 5.162 1.00 0.00 O HETATM 619 O HOH A 253 -5.215 -5.141 -11.565 1.00 0.00 O HETATM 622 O HOH A 254 1.912 1.209 -15.080 1.00 0.00 O HETATM 625 O HOH A 255 2.379 -10.794 -6.032 1.00 0.00 O HETATM 628 O HOH A 256 -4.165 -12.120 -11.924 1.00 0.00 O HETATM 631 O HOH A 257 -1.319 -4.747 4.473 1.00 0.00 O HETATM 634 O HOH A 258 7.479 -7.226 -7.167 1.00 0.00 O HETATM 637 O HOH A 259 -15.043 4.857 3.839 1.00 0.00 O HETATM 640 O HOH A 260 -5.962 -15.579 -7.537 1.00 0.00 O HETATM 643 O HOH A 261 -17.218 -4.489 0.122 1.00 0.00 O HETATM 646 O HOH A 262 -12.872 -9.086 -7.719 1.00 0.00 O HETATM 649 O HOH A 263 -6.977 2.864 0.694 1.00 0.00 O HETATM 652 O HOH A 264 8.413 -9.224 -8.815 1.00 0.00 O HETATM 655 O HOH A 265 14.520 -3.129 -5.525 1.00 0.00 O HETATM 658 O HOH A 266 8.043 8.908 -3.238 1.00 0.00 O HETATM 661 O HOH A 267 0.585 6.424 -2.298 1.00 0.00 O HETATM 664 O HOH A 268 -3.886 4.087 -5.197 1.00 0.00 O HETATM 667 O HOH A 269 -2.810 -7.088 4.513 1.00 0.00 O HETATM 670 O HOH A 270 14.721 5.034 -1.827 1.00 0.00 O HETATM 673 O HOH A 271 -0.710 -13.538 -4.388 1.00 0.00 O HETATM 676 O HOH A 272 -1.308 -2.320 -13.750 1.00 0.00 O HETATM 679 O HOH A 273 -13.813 2.745 8.235 1.00 0.00 O HETATM 682 O HOH A 274 -13.239 -10.647 -0.702 1.00 0.00 O HETATM 685 O HOH A 275 13.723 2.493 -1.697 1.00 0.00 O HETATM 688 O HOH A 276 5.305 -6.268 -16.255 1.00 0.00 O HETATM 691 O HOH A 277 -12.482 -5.068 2.474 1.00 0.00 O HETATM 694 O HOH A 278 -9.748 -11.258 -6.671 1.00 0.00 O HETATM 697 O HOH A 279 12.740 -4.878 -4.366 1.00 0.00 O HETATM 700 O HOH A 280 -10.343 2.544 -3.558 1.00 0.00 O HETATM 703 O HOH A 281 7.494 -7.694 1.549 1.00 0.00 O HETATM 706 O HOH A 282 -7.973 7.323 9.315 1.00 0.00 O HETATM 709 O HOH A 283 -14.322 -10.504 -5.656 1.00 0.00 O HETATM 712 O HOH A 284 13.260 2.728 -4.421 1.00 0.00 O HETATM 715 O HOH A 285 -14.545 -4.975 0.702 1.00 0.00 O HETATM 718 O HOH A 286 -9.379 -6.477 -9.303 1.00 0.00 O HETATM 721 O HOH A 287 -7.482 0.143 -7.191 1.00 0.00 O HETATM 724 O HOH A 288 -14.874 8.869 7.459 1.00 0.00 O HETATM 727 O HOH A 289 -5.947 -7.717 -11.173 1.00 0.00 O HETATM 730 O HOH A 290 -3.004 -16.398 -7.159 1.00 0.00 O HETATM 733 O HOH A 291 -13.545 -2.006 -4.958 1.00 0.00 O HETATM 736 O HOH A 292 8.479 -4.437 3.130 1.00 0.00 O HETATM 739 O HOH A 293 -19.321 -0.396 0.031 1.00 0.00 O HETATM 742 O HOH A 294 0.772 -5.377 6.165 1.00 0.00 O HETATM 745 O HOH A 295 7.310 1.005 7.843 1.00 0.00 O HETATM 748 O HOH A 296 -10.091 3.848 9.821 1.00 0.00 O HETATM 751 O HOH A 297 -16.401 -5.589 -2.283 1.00 0.00 O HETATM 754 O HOH A 298 6.691 8.829 4.676 1.00 0.00 O HETATM 757 O HOH A 299 -12.347 0.805 -2.883 1.00 0.00 O HETATM 760 O HOH A 300 14.161 -5.989 -2.425 1.00 0.00 O HETATM 763 O HOH A 301 -14.647 -10.103 -2.968 1.00 0.00 O HETATM 766 O HOH A 302 10.257 -4.112 -5.103 1.00 0.00 O HETATM 769 O HOH A 303 15.874 1.808 -0.197 1.00 0.00 O HETATM 772 O HOH A 304 -3.904 -12.819 -2.565 1.00 0.00 O HETATM 775 O HOH A 305 0.151 -10.999 -4.488 1.00 0.00 O HETATM 778 O HOH A 306 1.904 5.542 -4.502 1.00 0.00 O HETATM 781 O HOH A 307 8.752 -1.539 -9.403 1.00 0.00 O HETATM 784 O HOH A 308 -17.765 -2.122 -5.089 1.00 0.00 O HETATM 787 O HOH A 309 -4.712 -9.570 -12.736 1.00 0.00 O HETATM 790 O HOH A 310 -8.994 -5.760 7.137 1.00 0.00 O HETATM 793 O HOH A 311 2.509 8.265 -1.668 1.00 0.00 O HETATM 796 O HOH A 312 -3.515 -1.541 -12.323 1.00 0.00 O HETATM 799 O HOH A 313 3.389 -8.396 -4.890 1.00 0.00 O HETATM 802 O HOH A 314 -11.333 -12.650 -0.396 1.00 0.00 O HETATM 805 O HOH A 315 -8.271 2.053 10.704 1.00 0.00 O HETATM 808 O HOH A 316 -11.310 -0.136 -5.332 1.00 0.00 O HETATM 811 O HOH A 317 6.094 2.842 -8.984 1.00 0.00 O HETATM 814 O HOH A 318 8.171 7.352 6.461 1.00 0.00 O HETATM 817 O HOH A 319 -7.106 -2.955 10.909 1.00 0.00 O HETATM 820 O HOH A 320 -5.641 5.362 2.648 1.00 0.00 O HETATM 823 O HOH A 321 8.040 2.043 -7.265 1.00 0.00 O HETATM 826 O HOH A 322 -10.291 -9.706 -8.793 1.00 0.00 O HETATM 829 O HOH A 323 -17.095 0.484 -5.162 1.00 0.00 O HETATM 832 O HOH A 324 -16.583 -0.512 3.088 1.00 0.00 O HETATM 835 O HOH A 325 15.201 -1.335 2.868 1.00 0.00 O HETATM 838 O HOH A 326 -2.581 3.448 -7.441 1.00 0.00 O HETATM 841 O HOH A 327 -1.895 -8.263 2.283 1.00 0.00 O HETATM 844 O HOH A 328 -12.425 -12.785 -2.893 1.00 0.00 O HETATM 847 O HOH A 329 0.826 -8.535 2.531 1.00 0.00 O HETATM 850 O HOH A 330 8.302 4.534 6.801 1.00 0.00 O HETATM 853 O HOH A 331 18.611 4.961 2.168 1.00 0.00 O HETATM 856 O HOH A 332 9.185 -1.566 -12.192 1.00 0.00 O HETATM 859 O HOH A 333 -12.622 3.179 10.620 1.00 0.00 O HETATM 862 O HOH A 334 7.675 -5.308 -5.268 1.00 0.00 O HETATM 865 O HOH A 335 -15.989 4.144 8.928 1.00 0.00 O HETATM 868 O HOH A 336 11.089 -3.767 3.163 1.00 0.00 O HETATM 871 O HOH A 337 15.509 1.413 2.571 1.00 0.00 O HETATM 874 O HOH A 338 5.981 -7.431 -4.422 1.00 0.00 O HETATM 877 O HOH A 339 13.558 4.917 6.371 1.00 0.00 O HETATM 880 O HOH A 340 5.336 -0.948 8.157 1.00 0.00 O HETATM 883 O HOH A 341 8.912 -2.508 -6.852 1.00 0.00 O HETATM 886 O HOH A 342 -10.813 -8.963 3.317 1.00 0.00 O HETATM 889 O HOH A 343 -8.648 -13.136 -0.408 1.00 0.00 O HETATM 892 O HOH A 344 -2.204 0.848 -12.616 1.00 0.00 O HETATM 895 O HOH A 345 0.836 -7.195 0.075 1.00 0.00 O HETATM 898 O HOH A 346 13.156 -2.462 4.312 1.00 0.00 O HETATM 901 O HOH A 347 1.219 3.575 10.420 1.00 0.00 O HETATM 904 O HOH A 348 -8.453 2.038 -5.446 1.00 0.00 O HETATM 907 O HOH A 349 -11.640 -6.706 4.460 1.00 0.00 O HETATM 910 O HOH A 350 8.825 -5.427 0.567 1.00 0.00 O HETATM 913 O HOH A 351 -8.381 -0.595 11.196 1.00 0.00 O HETATM 916 O HOH A 352 -14.321 -7.592 0.236 1.00 0.00 O HETATM 919 O HOH A 353 -12.997 -3.934 -6.784 1.00 0.00 O HETATM 922 O HOH A 354 -18.793 2.215 -0.355 1.00 0.00 O HETATM 925 O HOH A 355 -13.080 -9.557 1.834 1.00 0.00 O HETATM 928 O HOH A 356 3.779 -3.016 7.402 1.00 0.00 O HETATM 931 O HOH A 357 17.744 -2.000 1.811 1.00 0.00 O HETATM 934 O HOH A 358 1.968 4.624 8.042 1.00 0.00 O HETATM 937 O HOH A 359 -0.274 1.071 12.096 1.00 0.00 O HETATM 940 O HOH A 360 -5.208 -10.554 -1.965 1.00 0.00 O HETATM 943 O HOH A 361 2.795 5.925 -8.061 1.00 0.00 O HETATM 946 O HOH A 362 15.739 3.172 4.889 1.00 0.00 O HETATM 949 O HOH A 363 -8.434 -8.819 -10.488 1.00 0.00 O HETATM 952 O HOH A 364 1.235 -8.838 -3.138 1.00 0.00 O HETATM 955 O HOH A 365 18.037 0.486 0.831 1.00 0.00 O HETATM 958 O HOH A 366 18.178 7.388 5.170 1.00 0.00 O HETATM 961 O HOH A 367 -1.232 -8.588 -0.981 1.00 0.00 O HETATM 964 O HOH A 368 -15.621 4.176 1.266 1.00 0.00 O HETATM 967 O HOH A 369 18.020 4.731 4.859 1.00 0.00 O HETATM 970 O HOH A 370 -3.643 -9.795 0.066 1.00 0.00 O HETATM 973 O HOH A 371 4.752 5.070 -9.680 1.00 0.00 O HETATM 976 O HOH A 372 -15.331 -5.264 -7.198 1.00 0.00 O HETATM 979 O HOH A 373 3.401 7.455 -5.767 1.00 0.00 O HETATM 982 O HOH A 374 -16.249 -8.262 -1.742 1.00 0.00 O HETATM 985 O HOH A 375 -6.546 4.017 -5.674 1.00 0.00 O HETATM 988 O HOH A 376 -11.765 -5.319 6.870 1.00 0.00 O HETATM 991 O HOH A 377 11.417 4.324 -5.686 1.00 0.00 O HETATM 994 O HOH A 378 5.433 6.979 6.466 1.00 0.00 O HETATM 997 O HOH A 379 9.265 4.579 -7.461 1.00 0.00 O HETATM 1000 O HOH A 380 -0.997 -2.938 13.651 1.00 0.00 O HETATM 1003 O HOH A 381 1.145 -2.434 12.024 1.00 0.00 O HETATM 1006 O HOH A 382 6.877 9.785 -5.498 1.00 0.00 O HETATM 1009 O HOH A 383 2.454 -4.824 12.211 1.00 0.00 O HETATM 1012 O HOH A 384 4.661 4.911 7.983 1.00 0.00 O HETATM 1015 O HOH A 385 -4.631 3.711 -9.203 1.00 0.00 O HETATM 1018 O HOH A 386 -7.700 -10.750 5.843 1.00 0.00 O HETATM 1021 O HOH A 387 3.318 -3.367 10.040 1.00 0.00 O HETATM 1024 O HOH A 388 -2.301 -12.214 -0.362 1.00 0.00 O HETATM 1027 O HOH A 389 2.202 0.051 12.081 1.00 0.00 O HETATM 1030 O HOH A 390 -9.936 -11.377 4.426 1.00 0.00 O HETATM 1033 O HOH A 391 -8.860 -14.799 1.671 1.00 0.00 O HETATM 1036 O HOH A 392 -0.794 -10.884 1.826 1.00 0.00 O HETATM 1039 O HOH A 393 3.142 2.533 12.089 1.00 0.00 O HETATM 1042 O HOH A 394 4.478 -0.786 10.810 1.00 0.00 O HETATM 1045 O HOH A 395 -10.522 -13.815 3.519 1.00 0.00 O HETATM 1048 O HOH A 396 3.930 4.824 10.704 1.00 0.00 O HETATM 1051 O HOH A 397 -2.826 -12.541 2.529 1.00 0.00 O HETATM 1054 O HOH A 398 4.408 9.783 -6.603 1.00 0.00 O HETATM 1057 O HOH A 399 -6.683 -13.256 5.622 1.00 0.00 O