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= -1.74 USER MOD Single : A 68 CYS SG : rot 42:sc= 2.67 USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= 3.41 (180deg=2.74) USER MOD Single : A 75 SER OG : rot -136:sc= 0.149 USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 0.839 (180deg=0.837) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -12.372 -7.836 -3.412 1.00 0.00 N ATOM 2 CA PRO A 62 -11.400 -6.865 -2.855 1.00 0.00 C ATOM 3 C PRO A 62 -10.591 -7.459 -1.699 1.00 0.00 C ATOM 4 O PRO A 62 -10.996 -8.465 -1.116 1.00 0.00 O ATOM 5 CB PRO A 62 -12.195 -5.614 -2.429 1.00 0.00 C ATOM 6 CG PRO A 62 -13.658 -5.962 -2.718 1.00 0.00 C ATOM 7 CD PRO A 62 -13.518 -7.007 -3.816 1.00 0.00 C ATOM 0 HA PRO A 62 -10.660 -6.598 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.043 -5.390 -1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.879 -4.735 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.165 -6.358 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.227 -5.094 -3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.424 -7.605 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.344 -6.540 -4.785 1.00 0.00 H new ATOM 15 N PHE A 63 -9.586 -6.718 -1.233 1.00 0.00 N ATOM 16 CA PHE A 63 -8.888 -6.957 0.034 1.00 0.00 C ATOM 17 C PHE A 63 -8.531 -5.613 0.691 1.00 0.00 C ATOM 18 O PHE A 63 -8.393 -4.606 -0.006 1.00 0.00 O ATOM 19 CB PHE A 63 -7.646 -7.824 -0.230 1.00 0.00 C ATOM 20 CG PHE A 63 -7.173 -8.605 0.978 1.00 0.00 C ATOM 21 CD1 PHE A 63 -7.705 -9.885 1.232 1.00 0.00 C ATOM 22 CD2 PHE A 63 -6.205 -8.071 1.848 1.00 0.00 C ATOM 23 CE1 PHE A 63 -7.254 -10.632 2.333 1.00 0.00 C ATOM 24 CE2 PHE A 63 -5.766 -8.813 2.960 1.00 0.00 C ATOM 25 CZ PHE A 63 -6.280 -10.099 3.195 1.00 0.00 C ATOM 0 H PHE A 63 -9.223 -5.911 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.532 -7.497 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.868 -8.522 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.835 -7.183 -0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.462 -10.293 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.797 -7.088 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.656 -11.617 2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.033 -8.393 3.633 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.927 -10.677 4.036 1.00 0.00 H new ATOM 35 N ALA A 64 -8.425 -5.562 2.019 1.00 0.00 N ATOM 36 CA ALA A 64 -8.121 -4.325 2.738 1.00 0.00 C ATOM 37 C ALA A 64 -6.652 -4.241 3.184 1.00 0.00 C ATOM 38 O ALA A 64 -5.972 -5.254 3.382 1.00 0.00 O ATOM 39 CB ALA A 64 -9.109 -4.165 3.896 1.00 0.00 C ATOM 0 H ALA A 64 -8.547 -6.374 2.624 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.246 -3.483 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.889 -3.245 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.125 -4.121 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.017 -5.015 4.573 1.00 0.00 H new ATOM 45 N CYS A 65 -6.134 -3.017 3.256 1.00 0.00 N ATOM 46 CA CYS A 65 -4.884 -2.714 3.937 1.00 0.00 C ATOM 47 C CYS A 65 -5.118 -2.611 5.448 1.00 0.00 C ATOM 48 O CYS A 65 -5.983 -1.841 5.867 1.00 0.00 O ATOM 49 CB CYS A 65 -4.346 -1.389 3.396 1.00 0.00 C ATOM 50 SG CYS A 65 -4.101 -1.511 1.609 1.00 0.00 S ATOM 0 H CYS A 65 -6.578 -2.200 2.837 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.161 -3.509 3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.044 -0.583 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.404 -1.142 3.885 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.646 -0.381 1.155 1.00 0.00 H new ATOM 55 N ASP A 66 -4.081 -3.001 6.191 1.00 0.00 N ATOM 56 CA ASP A 66 -3.841 -2.584 7.573 1.00 0.00 C ATOM 57 C ASP A 66 -3.493 -1.088 7.667 1.00 0.00 C ATOM 58 O ASP A 66 -4.355 -0.278 7.990 1.00 0.00 O ATOM 59 CB ASP A 66 -2.708 -3.463 8.125 1.00 0.00 C ATOM 60 CG ASP A 66 -2.324 -3.121 9.564 1.00 0.00 C ATOM 61 OD1 ASP A 66 -1.178 -3.492 9.898 1.00 0.00 O ATOM 62 OD2 ASP A 66 -3.265 -2.959 10.373 1.00 0.00 O ATOM 0 H ASP A 66 -3.364 -3.634 5.837 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.746 -2.714 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.012 -4.509 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.831 -3.356 7.487 1.00 0.00 H new ATOM 67 N ILE A 67 -2.401 -0.701 6.997 1.00 0.00 N ATOM 68 CA ILE A 67 -1.822 0.650 7.068 1.00 0.00 C ATOM 69 C ILE A 67 -2.735 1.781 6.546 1.00 0.00 C ATOM 70 O ILE A 67 -2.683 2.888 7.084 1.00 0.00 O ATOM 71 CB ILE A 67 -0.449 0.621 6.347 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.572 -0.324 7.034 1.00 0.00 C ATOM 73 CG2 ILE A 67 0.179 2.012 6.153 1.00 0.00 C ATOM 74 CD1 ILE A 67 0.944 0.039 8.477 1.00 0.00 C ATOM 0 H ILE A 67 -1.885 -1.327 6.379 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.699 0.903 8.121 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.678 0.224 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.166 -1.336 7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.483 -0.341 6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.137 1.911 5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.488 2.632 5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.334 2.480 7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.663 -0.685 8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.386 1.035 8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.048 0.025 9.098 1.00 0.00 H new ATOM 86 N CYS A 68 -3.598 1.520 5.554 1.00 0.00 N ATOM 87 CA CYS A 68 -4.602 2.502 5.115 1.00 0.00 C ATOM 88 C CYS A 68 -5.941 2.385 5.876 1.00 0.00 C ATOM 89 O CYS A 68 -6.757 3.305 5.808 1.00 0.00 O ATOM 90 CB CYS A 68 -4.830 2.378 3.598 1.00 0.00 C ATOM 91 SG CYS A 68 -3.479 3.146 2.656 1.00 0.00 S ATOM 0 H CYS A 68 -3.622 0.639 5.041 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.203 3.489 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.912 1.326 3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.775 2.851 3.331 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.341 2.847 3.208 1.00 0.00 H new ATOM 96 N GLY A 69 -6.314 1.186 6.334 1.00 0.00 N ATOM 97 CA GLY A 69 -7.689 0.880 6.755 1.00 0.00 C ATOM 98 C GLY A 69 -8.732 0.985 5.623 1.00 0.00 C ATOM 99 O GLY A 69 -9.833 1.487 5.858 1.00 0.00 O ATOM 0 H GLY A 69 -5.672 0.398 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.716 -0.129 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.971 1.560 7.559 1.00 0.00 H new ATOM 103 N ARG A 70 -8.340 0.712 4.368 1.00 0.00 N ATOM 104 CA ARG A 70 -9.149 0.900 3.142 1.00 0.00 C ATOM 105 C ARG A 70 -9.084 -0.322 2.212 1.00 0.00 C ATOM 106 O ARG A 70 -8.086 -1.037 2.190 1.00 0.00 O ATOM 107 CB ARG A 70 -8.711 2.174 2.383 1.00 0.00 C ATOM 108 CG ARG A 70 -8.917 3.511 3.115 1.00 0.00 C ATOM 109 CD ARG A 70 -10.385 3.801 3.451 1.00 0.00 C ATOM 110 NE ARG A 70 -10.543 5.052 4.219 1.00 0.00 N ATOM 111 CZ ARG A 70 -11.597 5.332 4.980 1.00 0.00 C ATOM 112 NH1 ARG A 70 -11.818 6.534 5.410 1.00 0.00 N ATOM 113 NH2 ARG A 70 -12.484 4.440 5.328 1.00 0.00 N ATOM 0 H ARG A 70 -7.413 0.338 4.166 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.185 1.017 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.653 2.079 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.255 2.214 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.335 3.506 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.527 4.319 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.961 3.868 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.796 2.970 4.024 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.797 5.745 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.177 7.289 5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.633 6.725 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.387 3.474 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.275 4.708 5.914 1.00 0.00 H new ATOM 127 N LYS A 71 -10.136 -0.520 1.407 1.00 0.00 N ATOM 128 CA LYS A 71 -10.246 -1.587 0.397 1.00 0.00 C ATOM 129 C LYS A 71 -9.550 -1.222 -0.916 1.00 0.00 C ATOM 130 O LYS A 71 -9.954 -0.251 -1.554 1.00 0.00 O ATOM 131 CB LYS A 71 -11.720 -1.904 0.100 1.00 0.00 C ATOM 132 CG LYS A 71 -12.457 -2.556 1.276 1.00 0.00 C ATOM 133 CD LYS A 71 -13.920 -2.812 0.880 1.00 0.00 C ATOM 134 CE LYS A 71 -14.694 -3.456 2.034 1.00 0.00 C ATOM 135 NZ LYS A 71 -16.151 -3.437 1.800 1.00 0.00 N ATOM 0 H LYS A 71 -10.963 0.077 1.440 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.750 -2.461 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.233 -0.982 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.773 -2.567 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.973 -3.494 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.413 -1.908 2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.395 -1.872 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.956 -3.462 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.361 -4.486 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.469 -2.929 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.614 -4.117 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.520 -2.483 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.347 -3.698 0.813 1.00 0.00 H new ATOM 149 N PHE A 72 -8.892 -2.219 -1.498 1.00 0.00 N ATOM 150 CA PHE A 72 -8.283 -2.184 -2.830 1.00 0.00 C ATOM 151 C PHE A 72 -8.425 -3.540 -3.549 1.00 0.00 C ATOM 152 O PHE A 72 -8.920 -4.520 -2.983 1.00 0.00 O ATOM 153 CB PHE A 72 -6.805 -1.771 -2.672 1.00 0.00 C ATOM 154 CG PHE A 72 -6.589 -0.316 -2.282 1.00 0.00 C ATOM 155 CD1 PHE A 72 -6.583 0.672 -3.286 1.00 0.00 C ATOM 156 CD2 PHE A 72 -6.408 0.060 -0.935 1.00 0.00 C ATOM 157 CE1 PHE A 72 -6.408 2.025 -2.949 1.00 0.00 C ATOM 158 CE2 PHE A 72 -6.228 1.416 -0.598 1.00 0.00 C ATOM 159 CZ PHE A 72 -6.231 2.397 -1.605 1.00 0.00 C ATOM 0 H PHE A 72 -8.761 -3.118 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.799 -1.455 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.343 -2.408 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.286 -1.962 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.714 0.388 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.407 -0.693 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.409 2.779 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.088 1.702 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.097 3.437 -1.346 1.00 0.00 H new ATOM 169 N ALA A 73 -8.049 -3.575 -4.830 1.00 0.00 N ATOM 170 CA ALA A 73 -7.920 -4.792 -5.630 1.00 0.00 C ATOM 171 C ALA A 73 -6.586 -5.533 -5.355 1.00 0.00 C ATOM 172 O ALA A 73 -6.308 -5.900 -4.211 1.00 0.00 O ATOM 173 CB ALA A 73 -8.148 -4.418 -7.101 1.00 0.00 C ATOM 0 H ALA A 73 -7.819 -2.730 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.679 -5.520 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.057 -5.310 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.145 -3.994 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.403 -3.684 -7.409 1.00 0.00 H new ATOM 179 N ARG A 74 -5.856 -5.899 -6.421 1.00 0.00 N ATOM 180 CA ARG A 74 -4.700 -6.815 -6.399 1.00 0.00 C ATOM 181 C ARG A 74 -3.478 -6.228 -7.112 1.00 0.00 C ATOM 182 O ARG A 74 -2.473 -6.016 -6.445 1.00 0.00 O ATOM 183 CB ARG A 74 -5.127 -8.165 -7.001 1.00 0.00 C ATOM 184 CG ARG A 74 -4.165 -9.297 -6.622 1.00 0.00 C ATOM 185 CD ARG A 74 -4.624 -10.617 -7.246 1.00 0.00 C ATOM 186 NE ARG A 74 -3.967 -11.746 -6.574 1.00 0.00 N ATOM 187 CZ ARG A 74 -4.020 -13.014 -6.910 1.00 0.00 C ATOM 188 NH1 ARG A 74 -3.732 -13.901 -6.007 1.00 0.00 N ATOM 189 NH2 ARG A 74 -4.464 -13.427 -8.062 1.00 0.00 N ATOM 0 H ARG A 74 -6.061 -5.553 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.388 -6.965 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.131 -8.413 -6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.174 -8.078 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.158 -9.057 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.119 -9.396 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.706 -10.712 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.386 -10.628 -8.310 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.406 -11.519 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.473 -13.605 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.765 -14.894 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.792 -12.753 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.484 -14.425 -8.273 1.00 0.00 H new ATOM 203 N SER A 75 -3.718 -5.673 -8.303 1.00 0.00 N ATOM 204 CA SER A 75 -2.943 -4.622 -8.976 1.00 0.00 C ATOM 205 C SER A 75 -1.417 -4.778 -8.891 1.00 0.00 C ATOM 206 O SER A 75 -0.750 -3.983 -8.237 1.00 0.00 O ATOM 207 CB SER A 75 -3.412 -3.233 -8.513 1.00 0.00 C ATOM 208 OG SER A 75 -4.811 -3.097 -8.712 1.00 0.00 O ATOM 0 H SER A 75 -4.517 -5.967 -8.865 1.00 0.00 H new ATOM 0 HA SER A 75 -3.153 -4.735 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.172 -3.093 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.881 -2.459 -9.067 1.00 0.00 H new ATOM 0 HG SER A 75 -5.002 -2.217 -9.099 1.00 0.00 H new HETATM 214 N OUD A 76 -0.851 -5.674 -9.725 1.00 0.00 N HETATM 215 CA OUD A 76 0.587 -5.699 -10.046 1.00 0.00 C HETATM 216 C OUD A 76 1.015 -2.605 -10.211 1.00 0.00 C HETATM 217 O OUD A 76 2.227 -2.592 -10.030 1.00 0.00 O HETATM 218 CB OUD A 76 1.086 -7.151 -10.230 1.00 0.00 C HETATM 219 CG OUD A 76 2.584 -7.211 -10.458 1.00 0.00 C HETATM 220 OD1 OUD A 76 3.318 -7.336 -9.495 1.00 0.00 O HETATM 221 OD2 OUD A 76 2.981 -7.104 -11.598 1.00 0.00 O HETATM 222 CM OUD A 76 0.881 -4.848 -11.308 1.00 0.00 C HETATM 223 N2 OUD A 76 0.451 -3.448 -11.185 1.00 0.00 N HETATM 231 N OUE A 77 0.230 -1.490 -9.878 1.00 0.00 N HETATM 232 CA OUE A 77 0.702 -0.412 -9.000 1.00 0.00 C HETATM 233 C OUE A 77 -0.487 -1.547 -5.942 1.00 0.00 C HETATM 234 O OUE A 77 0.543 -1.049 -5.516 1.00 0.00 O HETATM 235 CB OUE A 77 1.137 0.768 -9.901 1.00 0.00 C HETATM 236 CG OUE A 77 1.713 1.990 -9.157 1.00 0.00 C HETATM 237 CD OUE A 77 2.031 3.076 -10.161 1.00 0.00 C HETATM 238 OE1 OUE A 77 3.180 3.195 -10.530 1.00 0.00 O HETATM 239 OE2 OUE A 77 1.094 3.674 -10.639 1.00 0.00 O HETATM 240 CM OUE A 77 -0.396 -0.035 -7.977 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.908 -1.208 -7.241 1.00 0.00 N HETATM 251 N OUK A 78 -0.835 -2.858 -5.543 1.00 0.00 N HETATM 252 CA OUK A 78 0.001 -3.663 -4.629 1.00 0.00 C HETATM 253 C OUK A 78 2.993 -3.166 -6.108 1.00 0.00 C HETATM 254 O OUK A 78 3.742 -3.652 -5.265 1.00 0.00 O HETATM 255 CB OUK A 78 -0.842 -4.596 -3.718 1.00 0.00 C HETATM 256 CG OUK A 78 -1.937 -3.895 -2.874 1.00 0.00 C HETATM 257 CD OUK A 78 -2.874 -4.951 -2.233 1.00 0.00 C HETATM 258 CE OUK A 78 -4.015 -4.332 -1.395 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.655 -3.980 0.027 1.00 0.00 N HETATM 260 CM OUK A 78 0.992 -4.548 -5.427 1.00 0.00 C HETATM 261 N2 OUK A 78 1.785 -3.814 -6.421 1.00 0.00 N HETATM 278 N OUR A 79 3.540 -2.482 -7.212 1.00 0.00 N HETATM 279 CA OUR A 79 4.776 -1.688 -7.120 1.00 0.00 C HETATM 280 C OUR A 79 3.282 1.119 -5.200 1.00 0.00 C HETATM 281 O OUR A 79 4.201 1.141 -4.391 1.00 0.00 O HETATM 282 CB OUR A 79 5.710 -1.953 -8.329 1.00 0.00 C HETATM 283 CG OUR A 79 6.335 -3.376 -8.395 1.00 0.00 C HETATM 284 CD OUR A 79 5.364 -4.548 -8.691 1.00 0.00 C HETATM 285 NE OUR A 79 4.526 -4.301 -9.869 1.00 0.00 N HETATM 286 CZ OUR A 79 4.916 -4.249 -11.150 1.00 0.00 C HETATM 287 NH1 OUR A 79 5.865 -5.064 -11.611 1.00 0.00 N HETATM 288 NH2 OUR A 79 4.342 -3.364 -11.969 1.00 0.00 N HETATM 289 CM OUR A 79 4.467 -0.170 -7.040 1.00 0.00 C HETATM 290 N2 OUR A 79 3.297 0.140 -6.207 1.00 0.00 N HETATM 307 N OUH A 80 1.963 1.393 -4.788 1.00 0.00 N HETATM 308 CA OUH A 80 1.508 1.514 -3.394 1.00 0.00 C HETATM 309 C OUH A 80 3.329 -1.003 -1.789 1.00 0.00 C HETATM 310 O OUH A 80 2.958 -0.923 -0.622 1.00 0.00 O HETATM 311 CB OUH A 80 0.225 2.400 -3.350 1.00 0.00 C HETATM 312 CG OUH A 80 -0.928 1.832 -2.554 1.00 0.00 C HETATM 313 CD2 OUH A 80 -1.057 1.885 -1.192 1.00 0.00 C HETATM 314 ND1 OUH A 80 -2.003 1.105 -3.016 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.686 0.802 -1.872 1.00 0.00 C HETATM 316 NE2 OUH A 80 -2.109 1.234 -0.801 1.00 0.00 N HETATM 317 CM OUH A 80 1.283 0.131 -2.718 1.00 0.00 C HETATM 318 N2 OUH A 80 2.409 -0.796 -2.832 1.00 0.00 N HETATM 329 N OUK A 81 4.327 -1.932 -2.131 1.00 0.00 N HETATM 330 CA OUK A 81 5.564 -2.060 -1.345 1.00 0.00 C HETATM 331 C OUK A 81 6.291 1.044 -1.578 1.00 0.00 C HETATM 332 O OUK A 81 6.817 1.011 -0.470 1.00 0.00 O HETATM 333 CB OUK A 81 5.882 -3.548 -1.067 1.00 0.00 C HETATM 334 CG OUK A 81 4.859 -4.193 -0.103 1.00 0.00 C HETATM 335 CD OUK A 81 5.112 -5.710 0.044 1.00 0.00 C HETATM 336 CE OUK A 81 4.141 -6.354 1.054 1.00 0.00 C HETATM 337 NZ OUK A 81 4.388 -5.982 2.496 1.00 0.00 N HETATM 338 CM OUK A 81 6.757 -1.393 -2.070 1.00 0.00 C HETATM 339 N2 OUK A 81 6.484 -0.010 -2.488 1.00 0.00 N HETATM 356 N OUI A 82 5.942 2.263 -2.191 1.00 0.00 N HETATM 357 CA OUI A 82 5.721 3.523 -1.461 1.00 0.00 C HETATM 358 C OUI A 82 3.752 2.600 1.006 1.00 0.00 C HETATM 359 O OUI A 82 3.285 3.536 1.648 1.00 0.00 O HETATM 360 CB OUI A 82 6.337 4.746 -2.206 1.00 0.00 C HETATM 361 CG1 OUI A 82 5.594 5.087 -3.535 1.00 0.00 C HETATM 362 CG2 OUI A 82 7.852 4.514 -2.450 1.00 0.00 C HETATM 363 CD1 OUI A 82 6.173 6.316 -4.265 1.00 0.00 C HETATM 364 CM OUI A 82 4.216 3.733 -1.154 1.00 0.00 C HETATM 365 N2 OUI A 82 3.646 2.618 -0.392 1.00 0.00 N HETATM 380 N OUH A 83 3.622 1.299 1.524 1.00 0.00 N HETATM 381 CA OUH A 83 3.674 1.041 2.969 1.00 0.00 C HETATM 382 C OUH A 83 7.522 0.794 3.104 1.00 0.00 C HETATM 383 O OUH A 83 7.853 0.623 4.271 1.00 0.00 O HETATM 384 CB OUH A 83 3.042 -0.332 3.309 1.00 0.00 C HETATM 385 CG OUH A 83 1.584 -0.461 2.894 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.729 0.553 2.535 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.836 -1.617 2.833 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.400 -1.172 2.447 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.459 0.106 2.261 1.00 0.00 N HETATM 390 CM OUH A 83 5.110 1.198 3.535 1.00 0.00 C HETATM 391 N2 OUH A 83 6.179 0.626 2.711 1.00 0.00 N ATOM 402 N ARG A 84 8.472 0.664 2.070 1.00 0.00 N ATOM 403 CA ARG A 84 9.934 0.693 2.304 1.00 0.00 C ATOM 404 C ARG A 84 10.479 2.101 2.600 1.00 0.00 C ATOM 405 O ARG A 84 11.555 2.242 3.192 1.00 0.00 O ATOM 406 CB ARG A 84 10.632 0.114 1.050 1.00 0.00 C ATOM 407 CG ARG A 84 12.112 -0.230 1.276 1.00 0.00 C ATOM 408 CD ARG A 84 12.814 -0.586 -0.037 1.00 0.00 C ATOM 409 NE ARG A 84 14.178 -1.074 0.237 1.00 0.00 N ATOM 410 CZ ARG A 84 15.308 -0.387 0.279 1.00 0.00 C ATOM 411 NH1 ARG A 84 15.420 0.851 -0.123 1.00 0.00 N ATOM 412 NH2 ARG A 84 16.360 -0.995 0.731 1.00 0.00 N ATOM 0 H ARG A 84 8.217 0.541 1.090 1.00 0.00 H new ATOM 0 HA ARG A 84 10.142 0.096 3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.103 -0.784 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.555 0.835 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.616 0.617 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.190 -1.067 1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.245 -1.350 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.855 0.289 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 84 14.262 -2.074 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.607 1.342 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.320 1.327 -0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.296 -1.966 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.252 -0.502 0.781 1.00 0.00 H new ATOM 426 N LYS A 85 9.892 3.110 1.951 1.00 0.00 N ATOM 427 CA LYS A 85 10.365 4.500 1.897 1.00 0.00 C ATOM 428 C LYS A 85 9.174 5.409 1.582 1.00 0.00 C ATOM 429 O LYS A 85 8.213 4.961 0.959 1.00 0.00 O ATOM 430 CB LYS A 85 11.495 4.623 0.843 1.00 0.00 C ATOM 431 CG LYS A 85 12.119 6.028 0.807 1.00 0.00 C ATOM 432 CD LYS A 85 13.406 6.108 -0.016 1.00 0.00 C ATOM 433 CE LYS A 85 13.827 7.575 -0.179 1.00 0.00 C ATOM 434 NZ LYS A 85 14.189 8.221 1.109 1.00 0.00 N ATOM 0 H LYS A 85 9.031 2.975 1.422 1.00 0.00 H new ATOM 0 HA LYS A 85 10.784 4.808 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.272 3.890 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.096 4.381 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.392 6.729 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.330 6.349 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.199 5.545 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.252 5.653 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.678 7.630 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.012 8.132 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.481 9.204 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.366 8.212 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.974 7.700 1.550 1.00 0.00 H new ATOM 448 N ASP A 86 9.337 6.692 1.891 1.00 0.00 N ATOM 449 CA ASP A 86 8.558 7.808 1.356 1.00 0.00 C ATOM 450 C ASP A 86 9.495 8.971 1.009 1.00 0.00 C ATOM 451 O ASP A 86 10.483 9.122 1.767 1.00 0.00 O ATOM 452 CB ASP A 86 7.473 8.184 2.385 1.00 0.00 C ATOM 453 CG ASP A 86 6.240 8.832 1.749 1.00 0.00 C ATOM 454 OD1 ASP A 86 5.137 8.338 2.094 1.00 0.00 O ATOM 455 OD2 ASP A 86 6.310 10.062 1.503 1.00 0.00 O ATOM 456 OXT ASP A 86 9.568 9.308 -0.194 1.00 0.00 O ATOM 0 H ASP A 86 10.050 6.998 2.553 1.00 0.00 H new ATOM 0 HA ASP A 86 8.053 7.533 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.167 7.288 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.898 8.869 3.119 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.368 0.846 1.245 1.00 0.00 ZN HETATM 463 O HOH A 201 -5.239 -3.943 11.649 1.00 0.00 O HETATM 466 O HOH A 202 1.257 -4.267 10.104 1.00 0.00 O HETATM 469 O HOH A 203 3.079 9.213 0.800 1.00 0.00 O HETATM 472 O HOH A 204 5.298 11.485 3.415 1.00 0.00 O HETATM 475 O HOH A 205 4.184 -8.661 -13.319 1.00 0.00 O HETATM 478 O HOH A 206 5.026 1.452 -11.170 1.00 0.00 O HETATM 481 O HOH A 207 7.145 11.812 -0.303 1.00 0.00 O HETATM 484 O HOH A 208 4.500 7.175 4.400 1.00 0.00 O HETATM 487 O HOH A 209 -6.929 5.539 7.250 1.00 0.00 O HETATM 490 O HOH A 210 -0.678 5.377 -9.537 1.00 0.00 O HETATM 493 O HOH A 211 -10.544 3.291 7.764 1.00 0.00 O HETATM 496 O HOH A 212 13.954 3.522 3.349 1.00 0.00 O HETATM 499 O HOH A 213 -1.353 -4.510 1.461 1.00 0.00 O HETATM 502 O HOH A 214 5.556 -7.970 -10.987 1.00 0.00 O HETATM 505 O HOH A 215 -4.318 4.989 7.846 1.00 0.00 O HETATM 508 O HOH A 216 -17.382 -4.215 -0.581 1.00 0.00 O HETATM 511 O HOH A 217 -17.798 -5.358 2.987 1.00 0.00 O HETATM 514 O HOH A 218 -11.161 -11.142 -1.914 1.00 0.00 O HETATM 517 O HOH A 219 1.133 5.325 1.703 1.00 0.00 O HETATM 520 O HOH A 220 -10.956 -10.046 -4.398 1.00 0.00 O HETATM 523 O HOH A 221 5.477 -4.177 4.380 1.00 0.00 O HETATM 526 O HOH A 222 15.150 -3.441 1.479 1.00 0.00 O HETATM 529 O HOH A 223 -14.477 5.967 6.634 1.00 0.00 O HETATM 532 O HOH A 224 19.183 -0.777 0.721 1.00 0.00 O HETATM 535 O HOH A 225 6.298 -7.198 4.200 1.00 0.00 O HETATM 538 O HOH A 226 -3.703 -11.968 -10.379 1.00 0.00 O HETATM 541 O HOH A 227 -3.108 -12.061 -3.876 1.00 0.00 O HETATM 544 O HOH A 228 -17.042 -0.766 2.246 1.00 0.00 O HETATM 547 O HOH A 229 -4.733 -16.559 -5.573 1.00 0.00 O HETATM 550 O HOH A 230 16.529 7.429 2.589 1.00 0.00 O HETATM 553 O HOH A 231 -4.228 -16.185 -8.916 1.00 0.00 O HETATM 556 O HOH A 232 -1.587 2.780 -9.994 1.00 0.00 O HETATM 559 O HOH A 233 -10.458 8.933 6.313 1.00 0.00 O HETATM 562 O HOH A 234 -8.578 -1.176 -6.407 1.00 0.00 O HETATM 565 O HOH A 235 -11.910 -1.636 -3.263 1.00 0.00 O HETATM 568 O HOH A 236 -13.663 -10.102 -2.035 1.00 0.00 O HETATM 571 O HOH A 237 3.508 -0.536 -12.568 1.00 0.00 O HETATM 574 O HOH A 238 -3.233 -15.461 -3.477 1.00 0.00 O HETATM 577 O HOH A 239 -13.224 8.987 6.486 1.00 0.00 O HETATM 580 O HOH A 240 8.641 -5.727 -10.419 1.00 0.00 O HETATM 583 O HOH A 241 -2.603 -8.234 -9.652 1.00 0.00 O HETATM 586 O HOH A 242 8.151 -2.382 5.043 1.00 0.00 O HETATM 589 O HOH A 243 -2.197 -1.268 -11.826 1.00 0.00 O HETATM 592 O HOH A 244 -5.798 -0.344 -9.914 1.00 0.00 O HETATM 595 O HOH A 245 2.855 -8.411 -6.546 1.00 0.00 O HETATM 598 O HOH A 246 2.055 -5.611 4.631 1.00 0.00 O HETATM 601 O HOH A 247 -10.785 -7.048 -6.102 1.00 0.00 O HETATM 604 O HOH A 248 -3.645 0.884 -5.795 1.00 0.00 O HETATM 607 O HOH A 249 -2.327 -3.846 -12.882 1.00 0.00 O HETATM 610 O HOH A 250 4.689 -9.177 3.182 1.00 0.00 O HETATM 613 O HOH A 251 1.137 -5.282 2.143 1.00 0.00 O HETATM 616 O HOH A 252 10.420 -0.349 6.195 1.00 0.00 O HETATM 619 O HOH A 253 9.192 1.922 7.065 1.00 0.00 O HETATM 622 O HOH A 254 -14.049 8.585 3.923 1.00 0.00 O HETATM 625 O HOH A 255 -0.687 3.462 2.854 1.00 0.00 O HETATM 628 O HOH A 256 -2.345 -8.181 -3.756 1.00 0.00 O HETATM 631 O HOH A 257 -14.946 -9.905 -4.456 1.00 0.00 O HETATM 634 O HOH A 258 0.627 -3.925 12.831 1.00 0.00 O HETATM 637 O HOH A 259 -12.807 7.034 2.090 1.00 0.00 O HETATM 640 O HOH A 260 6.599 -6.031 -14.911 1.00 0.00 O HETATM 643 O HOH A 261 -1.701 -10.742 -9.099 1.00 0.00 O HETATM 646 O HOH A 262 11.237 12.517 2.493 1.00 0.00 O HETATM 649 O HOH A 263 -3.474 -6.228 -12.080 1.00 0.00 O HETATM 652 O HOH A 264 -2.858 -6.678 2.361 1.00 0.00 O HETATM 655 O HOH A 265 -7.741 -2.180 -10.540 1.00 0.00 O HETATM 658 O HOH A 266 8.073 -5.951 2.526 1.00 0.00 O HETATM 661 O HOH A 267 4.660 9.811 5.441 1.00 0.00 O HETATM 664 O HOH A 268 -15.374 -6.442 3.797 1.00 0.00 O HETATM 667 O HOH A 269 -19.805 -3.498 2.537 1.00 0.00 O HETATM 670 O HOH A 270 -14.772 -0.467 3.583 1.00 0.00 O HETATM 673 O HOH A 271 -5.813 -15.325 -10.994 1.00 0.00 O HETATM 676 O HOH A 272 -2.113 6.362 8.605 1.00 0.00 O HETATM 679 O HOH A 273 5.098 -0.263 6.803 1.00 0.00 O HETATM 682 O HOH A 274 -0.415 -4.689 -14.733 1.00 0.00 O HETATM 685 O HOH A 275 -14.158 1.467 7.276 1.00 0.00 O HETATM 688 O HOH A 276 -7.845 -4.892 -10.460 1.00 0.00 O HETATM 691 O HOH A 277 -12.934 3.105 9.007 1.00 0.00 O HETATM 694 O HOH A 278 10.388 -0.523 -2.244 1.00 0.00 O HETATM 697 O HOH A 279 6.162 4.206 -8.084 1.00 0.00 O HETATM 700 O HOH A 280 8.344 6.068 5.706 1.00 0.00 O HETATM 703 O HOH A 281 0.273 5.006 8.796 1.00 0.00 O HETATM 706 O HOH A 282 -12.870 4.573 0.976 1.00 0.00 O HETATM 709 O HOH A 283 7.218 3.787 6.687 1.00 0.00 O HETATM 712 O HOH A 284 -5.403 -14.133 -2.341 1.00 0.00 O HETATM 715 O HOH A 285 -6.241 -11.584 -3.214 1.00 0.00 O HETATM 718 O HOH A 286 -8.611 7.619 7.654 1.00 0.00 O HETATM 721 O HOH A 287 17.221 4.485 0.176 1.00 0.00 O HETATM 724 O HOH A 288 2.554 1.522 -14.184 1.00 0.00 O HETATM 727 O HOH A 289 -3.301 0.578 -10.070 1.00 0.00 O HETATM 730 O HOH A 290 0.986 -7.777 1.076 1.00 0.00 O HETATM 733 O HOH A 291 4.869 11.943 -1.853 1.00 0.00 O HETATM 736 O HOH A 292 12.483 -1.441 4.760 1.00 0.00 O HETATM 739 O HOH A 293 8.572 -3.436 1.589 1.00 0.00 O HETATM 742 O HOH A 294 -4.865 -8.463 -11.129 1.00 0.00 O HETATM 745 O HOH A 295 -12.660 -0.740 7.900 1.00 0.00 O HETATM 748 O HOH A 296 8.120 -8.417 -10.499 1.00 0.00 O HETATM 751 O HOH A 297 -10.931 -2.059 -7.483 1.00 0.00 O HETATM 754 O HOH A 298 -18.501 -6.787 0.847 1.00 0.00 O HETATM 757 O HOH A 299 -5.642 5.135 2.185 1.00 0.00 O HETATM 760 O HOH A 300 -7.761 -15.877 -9.096 1.00 0.00 O HETATM 763 O HOH A 301 2.449 -8.864 4.957 1.00 0.00 O HETATM 766 O HOH A 302 -1.559 -7.715 0.036 1.00 0.00 O HETATM 769 O HOH A 303 5.482 -7.547 -5.743 1.00 0.00 O HETATM 772 O HOH A 304 -6.609 -16.169 -3.710 1.00 0.00 O HETATM 775 O HOH A 305 10.860 -3.843 0.007 1.00 0.00 O HETATM 778 O HOH A 306 -12.327 -8.628 -7.668 1.00 0.00 O HETATM 781 O HOH A 307 3.995 7.215 -9.120 1.00 0.00 O HETATM 784 O HOH A 308 -12.723 -3.351 4.463 1.00 0.00 O HETATM 787 O HOH A 309 -1.747 -8.857 -12.550 1.00 0.00 O HETATM 790 O HOH A 310 -12.029 1.088 -5.142 1.00 0.00 O HETATM 793 O HOH A 311 -6.287 -6.394 7.806 1.00 0.00 O HETATM 796 O HOH A 312 -6.977 -5.261 10.136 1.00 0.00 O HETATM 799 O HOH A 313 -14.922 0.677 0.893 1.00 0.00 O HETATM 802 O HOH A 314 1.577 7.175 -0.199 1.00 0.00 O HETATM 805 O HOH A 315 -7.920 -13.904 -4.642 1.00 0.00 O HETATM 808 O HOH A 316 14.610 0.182 5.647 1.00 0.00 O HETATM 811 O HOH A 317 14.323 -3.368 4.027 1.00 0.00 O HETATM 814 O HOH A 318 -0.423 -11.684 -3.890 1.00 0.00 O HETATM 817 O HOH A 319 -1.336 4.703 -5.553 1.00 0.00 O HETATM 820 O HOH A 320 10.410 -3.004 3.692 1.00 0.00 O HETATM 823 O HOH A 321 -8.693 -6.845 6.530 1.00 0.00 O HETATM 826 O HOH A 322 -11.842 -4.611 -6.935 1.00 0.00 O HETATM 829 O HOH A 323 16.426 4.722 2.746 1.00 0.00 O HETATM 832 O HOH A 324 -12.732 -5.924 3.285 1.00 0.00 O HETATM 835 O HOH A 325 -6.219 -17.534 -7.657 1.00 0.00 O HETATM 838 O HOH A 326 -4.126 -9.880 -2.495 1.00 0.00 O HETATM 841 O HOH A 327 3.105 -3.097 8.517 1.00 0.00 O HETATM 844 O HOH A 328 6.330 7.730 6.415 1.00 0.00 O HETATM 847 O HOH A 329 -15.252 -5.092 -5.608 1.00 0.00 O HETATM 850 O HOH A 330 3.923 -2.688 6.015 1.00 0.00 O HETATM 853 O HOH A 331 -9.525 -4.382 7.229 1.00 0.00 O HETATM 856 O HOH A 332 0.407 -10.608 -7.372 1.00 0.00 O HETATM 859 O HOH A 333 -13.870 -10.629 -6.796 1.00 0.00 O HETATM 862 O HOH A 334 16.037 2.109 4.432 1.00 0.00 O HETATM 865 O HOH A 335 -11.095 4.262 -1.058 1.00 0.00 O HETATM 868 O HOH A 336 -7.643 -13.318 -11.514 1.00 0.00 O HETATM 871 O HOH A 337 3.736 2.222 6.415 1.00 0.00 O HETATM 874 O HOH A 338 -16.268 4.609 8.151 1.00 0.00 O HETATM 877 O HOH A 339 -9.294 -6.960 -9.501 1.00 0.00 O HETATM 880 O HOH A 340 2.899 10.076 -1.796 1.00 0.00 O HETATM 883 O HOH A 341 -13.860 -6.360 -7.670 1.00 0.00 O HETATM 886 O HOH A 342 -14.080 -0.068 -3.933 1.00 0.00 O HETATM 889 O HOH A 343 -7.255 -8.784 -9.954 1.00 0.00 O HETATM 892 O HOH A 344 -9.689 -13.067 -0.828 1.00 0.00 O HETATM 895 O HOH A 345 1.045 6.054 -5.570 1.00 0.00 O HETATM 898 O HOH A 346 -13.261 -3.346 -4.945 1.00 0.00 O HETATM 901 O HOH A 347 -2.366 -7.490 6.764 1.00 0.00 O HETATM 904 O HOH A 348 2.624 -10.430 1.675 1.00 0.00 O HETATM 907 O HOH A 349 -5.089 -4.454 -13.408 1.00 0.00 O HETATM 910 O HOH A 350 -17.199 -8.455 -3.949 1.00 0.00 O HETATM 913 O HOH A 351 -10.885 3.404 -4.684 1.00 0.00 O HETATM 916 O HOH A 352 4.579 4.934 6.182 1.00 0.00 O HETATM 919 O HOH A 353 10.514 -2.238 -4.424 1.00 0.00 O HETATM 922 O HOH A 354 9.247 -5.191 -7.908 1.00 0.00 O HETATM 925 O HOH A 355 -16.961 -5.721 -3.656 1.00 0.00 O HETATM 928 O HOH A 356 15.653 -6.031 0.797 1.00 0.00 O HETATM 931 O HOH A 357 -17.111 -7.292 -1.392 1.00 0.00 O HETATM 934 O HOH A 358 -0.849 6.172 -0.987 1.00 0.00 O HETATM 937 O HOH A 359 9.713 -3.961 -2.493 1.00 0.00 O HETATM 940 O HOH A 360 16.059 -2.135 5.701 1.00 0.00 O HETATM 943 O HOH A 361 0.941 -9.500 -4.882 1.00 0.00 O HETATM 946 O HOH A 362 19.111 4.070 -1.764 1.00 0.00 O HETATM 949 O HOH A 363 -17.566 -0.623 -2.322 1.00 0.00 O HETATM 952 O HOH A 364 -17.916 -3.177 -3.078 1.00 0.00 O HETATM 955 O HOH A 365 1.260 6.508 -2.874 1.00 0.00 O HETATM 958 O HOH A 366 -10.480 -8.650 5.722 1.00 0.00 O HETATM 961 O HOH A 367 -4.802 -8.613 7.239 1.00 0.00 O HETATM 964 O HOH A 368 6.403 -10.787 1.838 1.00 0.00 O HETATM 967 O HOH A 369 1.081 2.916 10.825 1.00 0.00 O HETATM 970 O HOH A 370 0.365 -9.399 3.228 1.00 0.00 O HETATM 973 O HOH A 371 2.078 -9.487 -0.788 1.00 0.00 O HETATM 976 O HOH A 372 -1.399 -7.323 -14.788 1.00 0.00 O HETATM 979 O HOH A 373 -12.033 -3.240 7.156 1.00 0.00 O HETATM 982 O HOH A 374 -0.010 -8.397 -2.280 1.00 0.00 O HETATM 985 O HOH A 375 -8.688 -11.071 -10.458 1.00 0.00 O HETATM 988 O HOH A 376 -3.751 -9.378 0.308 1.00 0.00 O HETATM 991 O HOH A 377 -2.335 -9.351 2.728 1.00 0.00 O HETATM 994 O HOH A 378 -0.894 -11.205 -11.668 1.00 0.00 O HETATM 997 O HOH A 379 5.331 1.143 9.176 1.00 0.00 O HETATM 1000 O HOH A 380 12.772 -0.965 -5.152 1.00 0.00 O HETATM 1003 O HOH A 381 -15.391 1.024 -1.827 1.00 0.00 O HETATM 1006 O HOH A 382 5.712 -8.537 -3.119 1.00 0.00 O HETATM 1009 O HOH A 383 11.000 -5.381 2.232 1.00 0.00 O HETATM 1012 O HOH A 384 -8.912 2.793 -6.431 1.00 0.00 O HETATM 1015 O HOH A 385 4.332 -1.249 10.117 1.00 0.00 O HETATM 1018 O HOH A 386 2.862 7.817 -6.721 1.00 0.00 O HETATM 1021 O HOH A 387 -8.800 -10.713 5.126 1.00 0.00 O HETATM 1024 O HOH A 388 9.620 -2.647 -6.948 1.00 0.00 O HETATM 1027 O HOH A 389 -10.062 5.618 -3.138 1.00 0.00 O HETATM 1030 O HOH A 390 3.268 2.875 9.156 1.00 0.00 O HETATM 1033 O HOH A 391 -9.991 -14.067 1.657 1.00 0.00 O HETATM 1036 O HOH A 392 3.006 5.453 8.341 1.00 0.00 O HETATM 1039 O HOH A 393 -6.923 4.573 -6.200 1.00 0.00 O HETATM 1042 O HOH A 394 -3.054 -11.363 4.356 1.00 0.00 O HETATM 1045 O HOH A 395 -7.434 5.707 -3.831 1.00 0.00 O HETATM 1048 O HOH A 396 5.112 10.145 -6.264 1.00 0.00 O HETATM 1051 O HOH A 397 -4.801 -12.504 6.098 1.00 0.00 O HETATM 1054 O HOH A 398 -7.298 -12.969 5.292 1.00 0.00 O HETATM 1057 O HOH A 399 -7.692 -14.624 3.022 1.00 0.00 O