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 163:sc= -0.718 USER MOD Single : A 68 CYS SG : rot 150:sc= 0.129! USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 2.21 (180deg=2.19) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 2 (180deg=1.97) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -11.841 -8.520 -3.445 1.00 0.00 N ATOM 2 CA PRO A 62 -10.777 -7.504 -3.244 1.00 0.00 C ATOM 3 C PRO A 62 -10.116 -7.612 -1.862 1.00 0.00 C ATOM 4 O PRO A 62 -10.554 -8.407 -1.028 1.00 0.00 O ATOM 5 CB PRO A 62 -11.421 -6.131 -3.481 1.00 0.00 C ATOM 6 CG PRO A 62 -12.522 -6.448 -4.491 1.00 0.00 C ATOM 7 CD PRO A 62 -13.015 -7.790 -3.964 1.00 0.00 C ATOM 0 HA PRO A 62 -9.962 -7.666 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.825 -5.709 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.705 -5.410 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.308 -5.692 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.141 -6.519 -5.510 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.755 -7.645 -3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.501 -8.359 -4.757 1.00 0.00 H new ATOM 15 N PHE A 63 -9.105 -6.782 -1.603 1.00 0.00 N ATOM 16 CA PHE A 63 -8.349 -6.751 -0.345 1.00 0.00 C ATOM 17 C PHE A 63 -8.462 -5.377 0.350 1.00 0.00 C ATOM 18 O PHE A 63 -9.210 -4.509 -0.100 1.00 0.00 O ATOM 19 CB PHE A 63 -6.906 -7.189 -0.668 1.00 0.00 C ATOM 20 CG PHE A 63 -5.977 -7.522 0.493 1.00 0.00 C ATOM 21 CD1 PHE A 63 -6.455 -8.150 1.664 1.00 0.00 C ATOM 22 CD2 PHE A 63 -4.596 -7.280 0.357 1.00 0.00 C ATOM 23 CE1 PHE A 63 -5.565 -8.488 2.697 1.00 0.00 C ATOM 24 CE2 PHE A 63 -3.704 -7.626 1.389 1.00 0.00 C ATOM 25 CZ PHE A 63 -4.192 -8.223 2.563 1.00 0.00 C ATOM 0 H PHE A 63 -8.778 -6.092 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.762 -7.445 0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.961 -8.066 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.439 -6.394 -1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.507 -8.371 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.219 -6.825 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.938 -8.953 3.598 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.647 -7.433 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.512 -8.478 3.362 1.00 0.00 H new ATOM 35 N ALA A 64 -7.792 -5.198 1.488 1.00 0.00 N ATOM 36 CA ALA A 64 -7.727 -3.947 2.251 1.00 0.00 C ATOM 37 C ALA A 64 -6.368 -3.831 2.965 1.00 0.00 C ATOM 38 O ALA A 64 -5.545 -4.747 2.855 1.00 0.00 O ATOM 39 CB ALA A 64 -8.905 -3.898 3.234 1.00 0.00 C ATOM 0 H ALA A 64 -7.257 -5.950 1.923 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.809 -3.091 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.864 -2.971 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.843 -3.942 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.846 -4.747 3.915 1.00 0.00 H new ATOM 45 N CYS A 65 -6.024 -2.628 3.425 1.00 0.00 N ATOM 46 CA CYS A 65 -4.728 -2.325 4.031 1.00 0.00 C ATOM 47 C CYS A 65 -4.745 -2.424 5.561 1.00 0.00 C ATOM 48 O CYS A 65 -5.304 -1.546 6.211 1.00 0.00 O ATOM 49 CB CYS A 65 -4.287 -0.936 3.570 1.00 0.00 C ATOM 50 SG CYS A 65 -3.917 -1.056 1.813 1.00 0.00 S ATOM 0 H CYS A 65 -6.649 -1.823 3.386 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.011 -3.076 3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.073 -0.203 3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.410 -0.605 4.127 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.885 0.135 1.294 1.00 0.00 H new ATOM 55 N ASP A 66 -3.707 -3.103 6.044 1.00 0.00 N ATOM 56 CA ASP A 66 -3.207 -3.059 7.423 1.00 0.00 C ATOM 57 C ASP A 66 -2.882 -1.617 7.866 1.00 0.00 C ATOM 58 O ASP A 66 -3.279 -1.182 8.941 1.00 0.00 O ATOM 59 CB ASP A 66 -1.929 -3.925 7.452 1.00 0.00 C ATOM 60 CG ASP A 66 -1.802 -4.835 8.667 1.00 0.00 C ATOM 61 OD1 ASP A 66 -0.625 -5.233 8.851 1.00 0.00 O ATOM 62 OD2 ASP A 66 -2.750 -5.627 8.841 1.00 0.00 O ATOM 0 H ASP A 66 -3.161 -3.733 5.456 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.965 -3.432 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.902 -4.539 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.060 -3.267 7.416 1.00 0.00 H new ATOM 67 N ILE A 67 -2.247 -0.846 6.975 1.00 0.00 N ATOM 68 CA ILE A 67 -1.648 0.469 7.261 1.00 0.00 C ATOM 69 C ILE A 67 -2.613 1.656 7.064 1.00 0.00 C ATOM 70 O ILE A 67 -2.474 2.658 7.769 1.00 0.00 O ATOM 71 CB ILE A 67 -0.366 0.621 6.402 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.664 -0.508 6.658 1.00 0.00 C ATOM 73 CG2 ILE A 67 0.313 1.992 6.558 1.00 0.00 C ATOM 74 CD1 ILE A 67 1.176 -0.627 8.100 1.00 0.00 C ATOM 0 H ILE A 67 -2.131 -1.127 6.002 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.399 0.499 8.322 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.716 0.540 5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.213 -1.458 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.519 -0.351 6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.203 2.031 5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.379 2.777 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.597 2.141 7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.890 -1.448 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.664 0.303 8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.338 -0.821 8.769 1.00 0.00 H new ATOM 86 N CYS A 68 -3.608 1.531 6.177 1.00 0.00 N ATOM 87 CA CYS A 68 -4.508 2.623 5.777 1.00 0.00 C ATOM 88 C CYS A 68 -6.006 2.328 6.064 1.00 0.00 C ATOM 89 O CYS A 68 -6.864 3.155 5.744 1.00 0.00 O ATOM 90 CB CYS A 68 -4.302 2.912 4.278 1.00 0.00 C ATOM 91 SG CYS A 68 -2.603 3.415 3.800 1.00 0.00 S ATOM 0 H CYS A 68 -3.815 0.650 5.707 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.253 3.494 6.381 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.571 2.020 3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.994 3.699 3.979 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.363 3.029 2.582 1.00 0.00 H new ATOM 96 N GLY A 69 -6.357 1.076 6.379 1.00 0.00 N ATOM 97 CA GLY A 69 -7.725 0.572 6.580 1.00 0.00 C ATOM 98 C GLY A 69 -8.567 0.358 5.313 1.00 0.00 C ATOM 99 O GLY A 69 -9.313 -0.620 5.212 1.00 0.00 O ATOM 0 H GLY A 69 -5.657 0.345 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.665 -0.376 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.255 1.270 7.228 1.00 0.00 H new ATOM 103 N ARG A 70 -8.465 1.259 4.327 1.00 0.00 N ATOM 104 CA ARG A 70 -9.272 1.245 3.090 1.00 0.00 C ATOM 105 C ARG A 70 -8.965 0.052 2.171 1.00 0.00 C ATOM 106 O ARG A 70 -7.924 -0.602 2.281 1.00 0.00 O ATOM 107 CB ARG A 70 -9.127 2.581 2.339 1.00 0.00 C ATOM 108 CG ARG A 70 -9.763 3.748 3.112 1.00 0.00 C ATOM 109 CD ARG A 70 -9.959 4.950 2.184 1.00 0.00 C ATOM 110 NE ARG A 70 -10.565 6.087 2.895 1.00 0.00 N ATOM 111 CZ ARG A 70 -10.947 7.226 2.352 1.00 0.00 C ATOM 112 NH1 ARG A 70 -11.376 8.186 3.115 1.00 0.00 N ATOM 113 NH2 ARG A 70 -10.942 7.434 1.064 1.00 0.00 N ATOM 0 H ARG A 70 -7.806 2.037 4.364 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.310 1.120 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.070 2.790 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.595 2.498 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.722 3.439 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.127 4.027 3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.997 5.250 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.594 4.664 1.345 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.702 5.984 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.415 8.055 4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.673 9.071 2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.633 6.697 0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.247 8.333 0.691 1.00 0.00 H new ATOM 127 N LYS A 71 -9.887 -0.211 1.235 1.00 0.00 N ATOM 128 CA LYS A 71 -9.798 -1.294 0.238 1.00 0.00 C ATOM 129 C LYS A 71 -8.652 -1.099 -0.768 1.00 0.00 C ATOM 130 O LYS A 71 -8.268 0.029 -1.068 1.00 0.00 O ATOM 131 CB LYS A 71 -11.135 -1.454 -0.509 1.00 0.00 C ATOM 132 CG LYS A 71 -12.298 -1.725 0.453 1.00 0.00 C ATOM 133 CD LYS A 71 -13.568 -2.134 -0.300 1.00 0.00 C ATOM 134 CE LYS A 71 -14.741 -2.219 0.682 1.00 0.00 C ATOM 135 NZ LYS A 71 -15.935 -2.824 0.052 1.00 0.00 N ATOM 0 H LYS A 71 -10.742 0.338 1.145 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.578 -2.205 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.341 -0.550 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.056 -2.274 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.018 -2.514 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.497 -0.832 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.788 -1.409 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.419 -3.097 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.448 -2.810 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.986 -1.221 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.729 -2.804 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.188 -2.285 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.728 -3.809 -0.210 1.00 0.00 H new ATOM 149 N PHE A 72 -8.330 -2.172 -1.493 1.00 0.00 N ATOM 150 CA PHE A 72 -7.635 -2.128 -2.784 1.00 0.00 C ATOM 151 C PHE A 72 -8.030 -3.317 -3.676 1.00 0.00 C ATOM 152 O PHE A 72 -8.485 -4.343 -3.167 1.00 0.00 O ATOM 153 CB PHE A 72 -6.114 -2.060 -2.562 1.00 0.00 C ATOM 154 CG PHE A 72 -5.406 -1.230 -3.612 1.00 0.00 C ATOM 155 CD1 PHE A 72 -4.607 -1.833 -4.607 1.00 0.00 C ATOM 156 CD2 PHE A 72 -5.574 0.167 -3.603 1.00 0.00 C ATOM 157 CE1 PHE A 72 -3.977 -1.034 -5.573 1.00 0.00 C ATOM 158 CE2 PHE A 72 -4.943 0.963 -4.576 1.00 0.00 C ATOM 159 CZ PHE A 72 -4.143 0.363 -5.559 1.00 0.00 C ATOM 0 H PHE A 72 -8.551 -3.121 -1.192 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.942 -1.225 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.913 -1.640 -1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.705 -3.070 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.481 -2.905 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.190 0.630 -2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.361 -1.494 -6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.074 2.035 -4.566 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.655 0.973 -6.305 1.00 0.00 H new ATOM 169 N ALA A 73 -7.903 -3.169 -5.000 1.00 0.00 N ATOM 170 CA ALA A 73 -8.420 -4.130 -5.984 1.00 0.00 C ATOM 171 C ALA A 73 -7.702 -5.499 -5.949 1.00 0.00 C ATOM 172 O ALA A 73 -8.208 -6.437 -5.325 1.00 0.00 O ATOM 173 CB ALA A 73 -8.416 -3.466 -7.371 1.00 0.00 C ATOM 0 H ALA A 73 -7.433 -2.369 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.447 -4.382 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.798 -4.169 -8.112 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.050 -2.579 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.398 -3.179 -7.634 1.00 0.00 H new ATOM 179 N ARG A 74 -6.515 -5.592 -6.577 1.00 0.00 N ATOM 180 CA ARG A 74 -5.543 -6.693 -6.423 1.00 0.00 C ATOM 181 C ARG A 74 -4.147 -6.248 -6.868 1.00 0.00 C ATOM 182 O ARG A 74 -3.320 -5.966 -6.008 1.00 0.00 O ATOM 183 CB ARG A 74 -5.998 -7.956 -7.182 1.00 0.00 C ATOM 184 CG ARG A 74 -4.979 -9.087 -6.979 1.00 0.00 C ATOM 185 CD ARG A 74 -5.460 -10.417 -7.546 1.00 0.00 C ATOM 186 NE ARG A 74 -4.573 -11.505 -7.115 1.00 0.00 N ATOM 187 CZ ARG A 74 -4.559 -12.740 -7.572 1.00 0.00 C ATOM 188 NH1 ARG A 74 -3.815 -13.634 -6.999 1.00 0.00 N ATOM 189 NH2 ARG A 74 -5.350 -13.120 -8.531 1.00 0.00 N ATOM 0 H ARG A 74 -6.194 -4.877 -7.230 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.493 -6.952 -5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.979 -8.271 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.101 -7.735 -8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.037 -8.813 -7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.777 -9.202 -5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.479 -10.615 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.485 -10.368 -8.635 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.897 -11.281 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.241 -13.381 -6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.804 -14.591 -7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.002 -12.455 -8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.319 -14.083 -8.866 1.00 0.00 H new ATOM 203 N SER A 75 -4.043 -5.911 -8.158 1.00 0.00 N ATOM 204 CA SER A 75 -3.055 -5.006 -8.760 1.00 0.00 C ATOM 205 C SER A 75 -1.579 -5.375 -8.508 1.00 0.00 C ATOM 206 O SER A 75 -0.907 -4.708 -7.729 1.00 0.00 O ATOM 207 CB SER A 75 -3.368 -3.558 -8.343 1.00 0.00 C ATOM 208 OG SER A 75 -4.754 -3.264 -8.493 1.00 0.00 O ATOM 0 H SER A 75 -4.687 -6.286 -8.854 1.00 0.00 H new ATOM 0 HA SER A 75 -3.159 -5.115 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.072 -3.404 -7.305 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.780 -2.868 -8.948 1.00 0.00 H new ATOM 0 HG SER A 75 -4.924 -2.338 -8.219 1.00 0.00 H new HETATM 214 N OUD A 76 -1.005 -6.254 -9.359 1.00 0.00 N HETATM 215 CA OUD A 76 0.459 -6.354 -9.552 1.00 0.00 C HETATM 216 C OUD A 76 0.894 -3.232 -10.053 1.00 0.00 C HETATM 217 O OUD A 76 2.097 -3.150 -9.839 1.00 0.00 O HETATM 218 CB OUD A 76 0.941 -7.828 -9.575 1.00 0.00 C HETATM 219 CG OUD A 76 2.446 -7.947 -9.771 1.00 0.00 C HETATM 220 OD1 OUD A 76 3.181 -7.438 -8.953 1.00 0.00 O HETATM 221 OD2 OUD A 76 2.842 -8.482 -10.782 1.00 0.00 O HETATM 222 CM OUD A 76 0.894 -5.610 -10.840 1.00 0.00 C HETATM 223 N2 OUD A 76 0.395 -4.231 -10.899 1.00 0.00 N HETATM 231 N OUE A 77 0.049 -2.103 -9.951 1.00 0.00 N HETATM 232 CA OUE A 77 0.433 -0.865 -9.258 1.00 0.00 C HETATM 233 C OUE A 77 -0.597 -1.911 -5.790 1.00 0.00 C HETATM 234 O OUE A 77 0.170 -1.188 -5.177 1.00 0.00 O HETATM 235 CB OUE A 77 0.292 0.326 -10.235 1.00 0.00 C HETATM 236 CG OUE A 77 1.131 1.545 -9.790 1.00 0.00 C HETATM 237 CD OUE A 77 2.626 1.328 -9.849 1.00 0.00 C HETATM 238 OE1 OUE A 77 3.319 2.196 -9.358 1.00 0.00 O HETATM 239 OE2 OUE A 77 3.078 0.396 -10.492 1.00 0.00 O HETATM 240 CM OUE A 77 -0.421 -0.635 -7.986 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.589 -1.864 -7.194 1.00 0.00 N HETATM 251 N OUK A 78 -0.963 -3.167 -5.263 1.00 0.00 N HETATM 252 CA OUK A 78 -0.156 -3.872 -4.255 1.00 0.00 C HETATM 253 C OUK A 78 2.725 -3.500 -5.721 1.00 0.00 C HETATM 254 O OUK A 78 3.482 -3.785 -4.798 1.00 0.00 O HETATM 255 CB OUK A 78 -1.041 -4.623 -3.229 1.00 0.00 C HETATM 256 CG OUK A 78 -1.887 -3.670 -2.354 1.00 0.00 C HETATM 257 CD OUK A 78 -2.637 -4.454 -1.253 1.00 0.00 C HETATM 258 CE OUK A 78 -3.439 -3.495 -0.348 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.601 -3.929 1.088 1.00 0.00 N HETATM 260 CM OUK A 78 0.791 -4.899 -4.919 1.00 0.00 C HETATM 261 N2 OUK A 78 1.620 -4.329 -5.989 1.00 0.00 N HETATM 278 N OUR A 79 3.223 -2.867 -6.878 1.00 0.00 N HETATM 279 CA OUR A 79 4.448 -2.044 -6.899 1.00 0.00 C HETATM 280 C OUR A 79 3.049 1.089 -5.354 1.00 0.00 C HETATM 281 O OUR A 79 3.982 1.453 -4.651 1.00 0.00 O HETATM 282 CB OUR A 79 5.301 -2.384 -8.138 1.00 0.00 C HETATM 283 CG OUR A 79 5.762 -3.860 -8.174 1.00 0.00 C HETATM 284 CD OUR A 79 6.125 -4.233 -9.617 1.00 0.00 C HETATM 285 NE OUR A 79 6.489 -5.658 -9.737 1.00 0.00 N HETATM 286 CZ OUR A 79 6.203 -6.285 -10.886 1.00 0.00 C HETATM 287 NH1 OUR A 79 7.116 -6.299 -11.861 1.00 0.00 N HETATM 288 NH2 OUR A 79 4.925 -6.530 -11.185 1.00 0.00 N HETATM 289 CM OUR A 79 4.107 -0.538 -6.915 1.00 0.00 C HETATM 290 N2 OUR A 79 3.109 -0.194 -5.907 1.00 0.00 N HETATM 307 N OUH A 80 1.730 1.381 -4.969 1.00 0.00 N HETATM 308 CA OUH A 80 1.335 1.725 -3.596 1.00 0.00 C HETATM 309 C OUH A 80 3.095 -0.702 -1.873 1.00 0.00 C HETATM 310 O OUH A 80 2.825 -0.552 -0.687 1.00 0.00 O HETATM 311 CB OUH A 80 0.126 2.695 -3.659 1.00 0.00 C HETATM 312 CG OUH A 80 -0.932 2.443 -2.624 1.00 0.00 C HETATM 313 CD2 OUH A 80 -0.798 2.685 -1.282 1.00 0.00 C HETATM 314 ND1 OUH A 80 -2.137 1.800 -2.787 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.622 1.735 -1.514 1.00 0.00 C HETATM 316 NE2 OUH A 80 -1.819 2.231 -0.631 1.00 0.00 N HETATM 317 CM OUH A 80 1.044 0.460 -2.739 1.00 0.00 C HETATM 318 N2 OUH A 80 2.078 -0.574 -2.829 1.00 0.00 N HETATM 329 N OUK A 81 4.070 -1.638 -2.253 1.00 0.00 N HETATM 330 CA OUK A 81 5.322 -1.800 -1.501 1.00 0.00 C HETATM 331 C OUK A 81 6.305 1.398 -1.867 1.00 0.00 C HETATM 332 O OUK A 81 6.441 1.275 -0.656 1.00 0.00 O HETATM 333 CB OUK A 81 5.660 -3.295 -1.299 1.00 0.00 C HETATM 334 CG OUK A 81 4.526 -4.099 -0.615 1.00 0.00 C HETATM 335 CD OUK A 81 4.906 -5.591 -0.544 1.00 0.00 C HETATM 336 CE OUK A 81 3.739 -6.478 -0.067 1.00 0.00 C HETATM 337 NZ OUK A 81 3.518 -6.541 1.421 1.00 0.00 N HETATM 338 CM OUK A 81 6.500 -1.106 -2.227 1.00 0.00 C HETATM 339 N2 OUK A 81 6.192 0.257 -2.680 1.00 0.00 N HETATM 356 N OUI A 82 5.674 2.534 -2.408 1.00 0.00 N HETATM 357 CA OUI A 82 5.410 3.773 -1.657 1.00 0.00 C HETATM 358 C OUI A 82 3.234 2.912 0.715 1.00 0.00 C HETATM 359 O OUI A 82 3.253 3.966 1.335 1.00 0.00 O HETATM 360 CB OUI A 82 6.083 5.013 -2.315 1.00 0.00 C HETATM 361 CG1 OUI A 82 5.515 5.324 -3.730 1.00 0.00 C HETATM 362 CG2 OUI A 82 7.620 4.828 -2.340 1.00 0.00 C HETATM 363 CD1 OUI A 82 6.116 6.601 -4.348 1.00 0.00 C HETATM 364 CM OUI A 82 3.889 3.974 -1.462 1.00 0.00 C HETATM 365 N2 OUI A 82 3.294 2.877 -0.689 1.00 0.00 N HETATM 380 N OUH A 83 3.494 1.686 1.345 1.00 0.00 N HETATM 381 CA OUH A 83 3.678 1.535 2.795 1.00 0.00 C HETATM 382 C OUH A 83 7.422 0.758 2.699 1.00 0.00 C HETATM 383 O OUH A 83 7.696 -0.035 3.590 1.00 0.00 O HETATM 384 CB OUH A 83 3.094 0.196 3.297 1.00 0.00 C HETATM 385 CG OUH A 83 1.648 0.009 2.920 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.729 1.010 2.727 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.991 -1.164 2.636 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.261 -0.746 2.280 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.407 0.539 2.314 1.00 0.00 N HETATM 390 CM OUH A 83 5.168 1.679 3.186 1.00 0.00 C HETATM 391 N2 OUH A 83 6.072 0.890 2.336 1.00 0.00 N ATOM 402 N ARG A 84 8.301 0.875 1.604 1.00 0.00 N ATOM 403 CA ARG A 84 9.761 0.765 1.760 1.00 0.00 C ATOM 404 C ARG A 84 10.385 1.916 2.563 1.00 0.00 C ATOM 405 O ARG A 84 11.300 1.652 3.343 1.00 0.00 O ATOM 406 CB ARG A 84 10.398 0.615 0.366 1.00 0.00 C ATOM 407 CG ARG A 84 11.934 0.581 0.434 1.00 0.00 C ATOM 408 CD ARG A 84 12.575 -0.172 -0.736 1.00 0.00 C ATOM 409 NE ARG A 84 12.357 0.459 -2.050 1.00 0.00 N ATOM 410 CZ ARG A 84 12.701 -0.089 -3.199 1.00 0.00 C ATOM 411 NH1 ARG A 84 13.224 -1.280 -3.294 1.00 0.00 N ATOM 412 NH2 ARG A 84 12.582 0.599 -4.286 1.00 0.00 N ATOM 0 H ARG A 84 7.994 1.041 0.646 1.00 0.00 H new ATOM 0 HA ARG A 84 9.971 -0.123 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.036 -0.301 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.082 1.443 -0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.313 1.603 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.239 0.112 1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.647 -0.254 -0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.178 -1.187 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 84 11.912 1.377 -2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.385 -1.835 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.472 -1.657 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.226 1.554 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.844 0.187 -5.182 1.00 0.00 H new ATOM 426 N LYS A 85 9.810 3.119 2.447 1.00 0.00 N ATOM 427 CA LYS A 85 10.049 4.300 3.298 1.00 0.00 C ATOM 428 C LYS A 85 8.805 5.196 3.314 1.00 0.00 C ATOM 429 O LYS A 85 8.195 5.401 2.265 1.00 0.00 O ATOM 430 CB LYS A 85 11.311 5.065 2.827 1.00 0.00 C ATOM 431 CG LYS A 85 11.463 6.417 3.552 1.00 0.00 C ATOM 432 CD LYS A 85 12.843 7.078 3.451 1.00 0.00 C ATOM 433 CE LYS A 85 12.794 8.517 3.995 1.00 0.00 C ATOM 434 NZ LYS A 85 12.187 8.616 5.344 1.00 0.00 N ATOM 0 H LYS A 85 9.125 3.309 1.716 1.00 0.00 H new ATOM 0 HA LYS A 85 10.236 3.974 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.195 4.454 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.254 5.233 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.720 7.107 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.227 6.271 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.573 6.496 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.173 7.087 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.807 8.919 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.227 9.140 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.246 9.599 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.190 8.325 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.699 7.994 6.002 1.00 0.00 H new ATOM 448 N ASP A 86 8.585 5.866 4.443 1.00 0.00 N ATOM 449 CA ASP A 86 7.722 7.062 4.589 1.00 0.00 C ATOM 450 C ASP A 86 8.556 8.352 4.712 1.00 0.00 C ATOM 451 O ASP A 86 9.459 8.317 5.576 1.00 0.00 O ATOM 452 CB ASP A 86 6.789 6.829 5.802 1.00 0.00 C ATOM 453 CG ASP A 86 5.778 7.935 6.124 1.00 0.00 C ATOM 454 OD1 ASP A 86 5.422 8.692 5.190 1.00 0.00 O ATOM 455 OD2 ASP A 86 4.941 7.641 7.013 1.00 0.00 O ATOM 456 OXT ASP A 86 8.688 9.031 3.668 1.00 0.00 O ATOM 0 H ASP A 86 9.016 5.588 5.325 1.00 0.00 H new ATOM 0 HA ASP A 86 7.114 7.203 3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.237 5.904 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.411 6.672 6.683 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.255 1.442 1.518 1.00 0.00 ZN HETATM 463 O HOH A 201 -1.149 3.016 1.686 1.00 0.00 O HETATM 466 O HOH A 202 -5.277 -6.131 8.995 1.00 0.00 O HETATM 469 O HOH A 203 -2.747 -8.228 8.934 1.00 0.00 O HETATM 472 O HOH A 204 3.570 9.248 8.537 1.00 0.00 O HETATM 475 O HOH A 205 5.358 9.740 2.786 1.00 0.00 O HETATM 478 O HOH A 206 10.493 8.182 7.992 1.00 0.00 O HETATM 481 O HOH A 207 8.859 7.909 1.293 1.00 0.00 O HETATM 484 O HOH A 208 4.524 5.171 7.830 1.00 0.00 O HETATM 487 O HOH A 209 -0.387 -7.627 7.772 1.00 0.00 O HETATM 490 O HOH A 210 2.827 8.336 4.868 1.00 0.00 O HETATM 493 O HOH A 211 0.885 -4.597 10.938 1.00 0.00 O HETATM 496 O HOH A 212 2.885 -7.666 -13.314 1.00 0.00 O HETATM 499 O HOH A 213 -2.943 5.064 8.846 1.00 0.00 O HETATM 502 O HOH A 214 2.740 -7.467 -6.304 1.00 0.00 O HETATM 505 O HOH A 215 -8.915 4.621 6.674 1.00 0.00 O HETATM 508 O HOH A 216 2.255 -11.085 -10.403 1.00 0.00 O HETATM 511 O HOH A 217 -12.001 -0.798 5.040 1.00 0.00 O HETATM 514 O HOH A 218 5.637 0.850 -9.748 1.00 0.00 O HETATM 517 O HOH A 219 -5.398 -1.943 10.466 1.00 0.00 O HETATM 520 O HOH A 220 4.038 10.794 6.234 1.00 0.00 O HETATM 523 O HOH A 221 -1.067 3.114 10.061 1.00 0.00 O HETATM 526 O HOH A 222 2.686 1.204 -13.101 1.00 0.00 O HETATM 529 O HOH A 223 -1.701 -5.118 2.754 1.00 0.00 O HETATM 532 O HOH A 224 14.675 -1.553 -5.673 1.00 0.00 O HETATM 535 O HOH A 225 -12.183 -10.638 -5.269 1.00 0.00 O HETATM 538 O HOH A 226 -10.564 7.995 5.818 1.00 0.00 O HETATM 541 O HOH A 227 -2.993 -13.089 -4.342 1.00 0.00 O HETATM 544 O HOH A 228 -3.743 -16.404 -7.634 1.00 0.00 O HETATM 547 O HOH A 229 0.871 -5.596 6.459 1.00 0.00 O HETATM 550 O HOH A 230 -17.096 -2.250 -2.485 1.00 0.00 O HETATM 553 O HOH A 231 -5.646 -15.530 -10.060 1.00 0.00 O HETATM 556 O HOH A 232 14.109 7.092 6.859 1.00 0.00 O HETATM 559 O HOH A 233 -13.310 -10.221 -1.635 1.00 0.00 O HETATM 562 O HOH A 234 -11.084 10.103 -0.026 1.00 0.00 O HETATM 565 O HOH A 235 0.928 5.419 0.409 1.00 0.00 O HETATM 568 O HOH A 236 -7.661 -11.579 -9.362 1.00 0.00 O HETATM 571 O HOH A 237 -10.429 5.535 -1.066 1.00 0.00 O HETATM 574 O HOH A 238 3.270 -4.125 3.016 1.00 0.00 O HETATM 577 O HOH A 239 1.661 -8.767 1.196 1.00 0.00 O HETATM 580 O HOH A 240 -18.513 -3.002 1.393 1.00 0.00 O HETATM 583 O HOH A 241 -15.960 -5.393 -1.325 1.00 0.00 O HETATM 586 O HOH A 242 -2.359 -10.275 -5.669 1.00 0.00 O HETATM 589 O HOH A 243 -12.522 10.699 2.172 1.00 0.00 O HETATM 592 O HOH A 244 4.563 -6.152 4.153 1.00 0.00 O HETATM 595 O HOH A 245 4.613 -8.949 2.730 1.00 0.00 O HETATM 598 O HOH A 246 -3.962 1.919 1.413 1.00 0.00 O HETATM 601 O HOH A 247 12.198 -1.177 3.651 1.00 0.00 O HETATM 604 O HOH A 248 -11.359 5.389 5.688 1.00 0.00 O HETATM 607 O HOH A 249 15.019 -3.417 -2.145 1.00 0.00 O HETATM 610 O HOH A 250 -13.314 10.207 4.787 1.00 0.00 O HETATM 613 O HOH A 251 -11.390 -8.911 2.125 1.00 0.00 O HETATM 616 O HOH A 252 -9.502 10.870 3.651 1.00 0.00 O HETATM 619 O HOH A 253 11.557 5.905 7.164 1.00 0.00 O HETATM 622 O HOH A 254 -3.526 -7.887 -3.297 1.00 0.00 O HETATM 625 O HOH A 255 -18.495 -4.874 -0.626 1.00 0.00 O HETATM 628 O HOH A 256 6.624 -7.838 1.315 1.00 0.00 O HETATM 631 O HOH A 257 5.465 -2.491 3.000 1.00 0.00 O HETATM 634 O HOH A 258 5.460 -8.468 -13.891 1.00 0.00 O HETATM 637 O HOH A 259 -3.270 -2.549 12.031 1.00 0.00 O HETATM 640 O HOH A 260 7.750 -8.815 -9.650 1.00 0.00 O HETATM 643 O HOH A 261 -2.660 -6.233 -12.351 1.00 0.00 O HETATM 646 O HOH A 262 -5.572 0.042 -8.896 1.00 0.00 O HETATM 649 O HOH A 263 -1.189 -11.548 -7.724 1.00 0.00 O HETATM 652 O HOH A 264 -8.006 -15.294 -8.707 1.00 0.00 O HETATM 655 O HOH A 265 -7.139 6.657 2.832 1.00 0.00 O HETATM 658 O HOH A 266 -12.568 2.018 1.615 1.00 0.00 O HETATM 661 O HOH A 267 -7.718 -13.626 -11.130 1.00 0.00 O HETATM 664 O HOH A 268 9.124 -8.732 -13.515 1.00 0.00 O HETATM 667 O HOH A 269 -3.805 -12.872 -11.761 1.00 0.00 O HETATM 670 O HOH A 270 9.501 -7.159 -8.422 1.00 0.00 O HETATM 673 O HOH A 271 4.727 -2.580 -12.287 1.00 0.00 O HETATM 676 O HOH A 272 10.086 3.608 6.879 1.00 0.00 O HETATM 679 O HOH A 273 15.339 2.390 -1.084 1.00 0.00 O HETATM 682 O HOH A 274 -6.032 1.688 10.000 1.00 0.00 O HETATM 685 O HOH A 275 -16.249 -1.127 3.314 1.00 0.00 O HETATM 688 O HOH A 276 3.441 5.874 -9.665 1.00 0.00 O HETATM 691 O HOH A 277 7.326 4.125 7.457 1.00 0.00 O HETATM 694 O HOH A 278 -13.614 -5.067 1.865 1.00 0.00 O HETATM 697 O HOH A 279 -13.948 5.829 -0.432 1.00 0.00 O HETATM 700 O HOH A 280 0.684 -4.672 3.848 1.00 0.00 O HETATM 703 O HOH A 281 -13.843 -6.804 -0.177 1.00 0.00 O HETATM 706 O HOH A 282 -10.977 10.699 5.972 1.00 0.00 O HETATM 709 O HOH A 283 1.098 -7.742 -1.301 1.00 0.00 O HETATM 712 O HOH A 284 5.535 -2.439 5.663 1.00 0.00 O HETATM 715 O HOH A 285 -6.008 -9.070 -3.598 1.00 0.00 O HETATM 718 O HOH A 286 13.021 8.572 9.111 1.00 0.00 O HETATM 721 O HOH A 287 -4.763 4.012 10.570 1.00 0.00 O HETATM 724 O HOH A 288 -12.331 1.156 6.938 1.00 0.00 O HETATM 727 O HOH A 289 -13.784 -9.439 0.908 1.00 0.00 O HETATM 730 O HOH A 290 -15.420 -0.057 -2.661 1.00 0.00 O HETATM 733 O HOH A 291 8.921 -3.833 -14.324 1.00 0.00 O HETATM 736 O HOH A 292 13.695 -3.015 0.233 1.00 0.00 O HETATM 739 O HOH A 293 5.428 -9.260 -0.742 1.00 0.00 O HETATM 742 O HOH A 294 2.790 9.011 2.218 1.00 0.00 O HETATM 745 O HOH A 295 -15.352 -10.431 -3.467 1.00 0.00 O HETATM 748 O HOH A 296 -9.287 -13.057 -7.789 1.00 0.00 O HETATM 751 O HOH A 297 -11.762 -12.268 -0.852 1.00 0.00 O HETATM 754 O HOH A 298 -10.189 2.717 8.042 1.00 0.00 O HETATM 757 O HOH A 299 -5.210 -5.254 -12.027 1.00 0.00 O HETATM 760 O HOH A 300 -8.692 1.250 9.726 1.00 0.00 O HETATM 763 O HOH A 301 6.707 -6.267 -5.160 1.00 0.00 O HETATM 766 O HOH A 302 -5.151 -0.515 -11.497 1.00 0.00 O HETATM 769 O HOH A 303 -11.537 3.094 -0.602 1.00 0.00 O HETATM 772 O HOH A 304 3.696 -10.624 0.796 1.00 0.00 O HETATM 775 O HOH A 305 -12.444 6.451 -2.664 1.00 0.00 O HETATM 778 O HOH A 306 -1.909 2.995 -6.781 1.00 0.00 O HETATM 781 O HOH A 307 15.404 1.027 2.807 1.00 0.00 O HETATM 784 O HOH A 308 -8.046 7.139 6.246 1.00 0.00 O HETATM 787 O HOH A 309 -14.754 -10.081 -6.028 1.00 0.00 O HETATM 790 O HOH A 310 7.540 -8.043 -15.656 1.00 0.00 O HETATM 793 O HOH A 311 4.712 -12.075 -9.669 1.00 0.00 O HETATM 796 O HOH A 312 -13.412 8.868 -2.049 1.00 0.00 O HETATM 799 O HOH A 313 -16.093 -4.393 -3.871 1.00 0.00 O HETATM 802 O HOH A 314 8.899 -3.905 2.384 1.00 0.00 O HETATM 805 O HOH A 315 15.084 3.518 3.824 1.00 0.00 O HETATM 808 O HOH A 316 -10.494 -7.251 4.070 1.00 0.00 O HETATM 811 O HOH A 317 -6.184 -11.646 -12.445 1.00 0.00 O HETATM 814 O HOH A 318 -13.703 0.010 3.137 1.00 0.00 O HETATM 817 O HOH A 319 1.078 6.123 -2.363 1.00 0.00 O HETATM 820 O HOH A 320 -17.665 -3.381 3.920 1.00 0.00 O HETATM 823 O HOH A 321 0.528 -6.888 -14.276 1.00 0.00 O HETATM 826 O HOH A 322 0.350 -12.983 -6.047 1.00 0.00 O HETATM 829 O HOH A 323 -15.529 -4.951 3.794 1.00 0.00 O HETATM 832 O HOH A 324 7.673 -5.408 -16.072 1.00 0.00 O HETATM 835 O HOH A 325 -6.699 -7.482 -11.240 1.00 0.00 O HETATM 838 O HOH A 326 -7.218 9.409 2.578 1.00 0.00 O HETATM 841 O HOH A 327 -3.042 -16.440 -10.267 1.00 0.00 O HETATM 844 O HOH A 328 -2.728 -0.181 13.181 1.00 0.00 O HETATM 847 O HOH A 329 0.961 -8.373 -4.349 1.00 0.00 O HETATM 850 O HOH A 330 -12.898 3.184 5.289 1.00 0.00 O HETATM 853 O HOH A 331 5.593 -0.456 7.482 1.00 0.00 O HETATM 856 O HOH A 332 7.560 -6.139 3.285 1.00 0.00 O HETATM 859 O HOH A 333 1.204 5.816 -5.148 1.00 0.00 O HETATM 862 O HOH A 334 9.226 -5.714 -6.174 1.00 0.00 O HETATM 865 O HOH A 335 16.547 7.520 5.666 1.00 0.00 O HETATM 868 O HOH A 336 -11.041 -0.060 -5.917 1.00 0.00 O HETATM 871 O HOH A 337 17.195 -0.561 -5.349 1.00 0.00 O HETATM 874 O HOH A 338 -9.216 11.647 1.136 1.00 0.00 O HETATM 877 O HOH A 339 -5.728 -2.731 -12.931 1.00 0.00 O HETATM 880 O HOH A 340 -6.656 -10.815 -1.619 1.00 0.00 O HETATM 883 O HOH A 341 -10.570 -7.542 -9.170 1.00 0.00 O HETATM 886 O HOH A 342 1.594 8.079 -0.049 1.00 0.00 O HETATM 889 O HOH A 343 10.377 1.071 7.883 1.00 0.00 O HETATM 892 O HOH A 344 -1.173 -14.533 -10.758 1.00 0.00 O HETATM 895 O HOH A 345 -0.748 1.244 12.055 1.00 0.00 O HETATM 898 O HOH A 346 -15.644 8.809 4.973 1.00 0.00 O HETATM 901 O HOH A 347 -0.274 -11.983 -10.320 1.00 0.00 O HETATM 904 O HOH A 348 3.069 4.530 10.055 1.00 0.00 O HETATM 907 O HOH A 349 0.271 0.359 -14.331 1.00 0.00 O HETATM 910 O HOH A 350 9.511 -2.930 -5.769 1.00 0.00 O HETATM 913 O HOH A 351 1.344 6.296 -7.944 1.00 0.00 O HETATM 916 O HOH A 352 3.140 -3.137 10.916 1.00 0.00 O HETATM 919 O HOH A 353 -4.467 3.986 -6.359 1.00 0.00 O HETATM 922 O HOH A 354 -11.219 10.407 -2.769 1.00 0.00 O HETATM 925 O HOH A 355 -8.173 0.314 -8.392 1.00 0.00 O HETATM 928 O HOH A 356 -8.826 1.531 -5.947 1.00 0.00 O HETATM 931 O HOH A 357 -8.084 -1.356 10.272 1.00 0.00 O HETATM 934 O HOH A 358 -7.921 5.415 -2.234 1.00 0.00 O HETATM 937 O HOH A 359 3.175 -7.094 6.285 1.00 0.00 O HETATM 940 O HOH A 360 11.407 -2.993 1.722 1.00 0.00 O HETATM 943 O HOH A 361 -1.643 -8.370 -13.801 1.00 0.00 O HETATM 946 O HOH A 362 3.855 -9.347 -4.419 1.00 0.00 O HETATM 949 O HOH A 363 1.539 2.321 10.694 1.00 0.00 O HETATM 952 O HOH A 364 -1.106 -8.837 -2.593 1.00 0.00 O HETATM 955 O HOH A 365 -1.020 -11.432 -3.496 1.00 0.00 O HETATM 958 O HOH A 366 -9.622 -5.401 -10.572 1.00 0.00 O HETATM 961 O HOH A 367 9.931 7.856 10.615 1.00 0.00 O HETATM 964 O HOH A 368 15.851 -1.622 1.117 1.00 0.00 O HETATM 967 O HOH A 369 -14.070 -2.965 -4.782 1.00 0.00 O HETATM 970 O HOH A 370 16.877 0.805 0.470 1.00 0.00 O HETATM 973 O HOH A 371 -13.765 1.822 -1.634 1.00 0.00 O HETATM 976 O HOH A 372 6.180 -8.034 -3.176 1.00 0.00 O HETATM 979 O HOH A 373 -0.509 -9.811 2.459 1.00 0.00 O HETATM 982 O HOH A 374 9.514 -3.872 -0.440 1.00 0.00 O HETATM 985 O HOH A 375 -3.051 -10.347 -12.456 1.00 0.00 O HETATM 988 O HOH A 376 10.027 14.155 4.254 1.00 0.00 O HETATM 991 O HOH A 377 5.125 7.058 -7.875 1.00 0.00 O HETATM 994 O HOH A 378 -8.644 -9.138 -10.134 1.00 0.00 O HETATM 997 O HOH A 379 -14.672 3.421 0.507 1.00 0.00 O HETATM 1000 O HOH A 380 -1.364 2.194 -13.222 1.00 0.00 O HETATM 1003 O HOH A 381 -13.313 -7.489 -8.692 1.00 0.00 O HETATM 1006 O HOH A 382 -1.473 -9.532 4.980 1.00 0.00 O HETATM 1009 O HOH A 383 -13.047 -0.465 -4.203 1.00 0.00 O HETATM 1012 O HOH A 384 -10.193 -10.269 4.403 1.00 0.00 O HETATM 1015 O HOH A 385 -7.104 3.663 -5.677 1.00 0.00 O HETATM 1018 O HOH A 386 -4.173 -10.146 -0.974 1.00 0.00 O HETATM 1021 O HOH A 387 1.560 -11.067 -4.453 1.00 0.00 O HETATM 1024 O HOH A 388 17.139 5.239 4.378 1.00 0.00 O HETATM 1027 O HOH A 389 -13.472 -3.682 -7.392 1.00 0.00 O HETATM 1030 O HOH A 390 -3.916 1.269 -13.138 1.00 0.00 O HETATM 1033 O HOH A 391 -5.517 2.874 -8.731 1.00 0.00 O HETATM 1036 O HOH A 392 -3.152 -11.364 6.267 1.00 0.00 O HETATM 1039 O HOH A 393 3.023 7.670 -6.251 1.00 0.00 O HETATM 1042 O HOH A 394 4.204 -0.928 9.731 1.00 0.00 O HETATM 1045 O HOH A 395 -3.056 4.309 -8.871 1.00 0.00 O HETATM 1048 O HOH A 396 -7.634 -11.122 5.186 1.00 0.00 O HETATM 1051 O HOH A 397 -5.097 -11.626 4.140 1.00 0.00 O HETATM 1054 O HOH A 398 3.542 10.308 -6.974 1.00 0.00 O HETATM 1057 O HOH A 399 5.448 10.667 -4.997 1.00 0.00 O