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= -2.19! USER MOD Single : A 68 CYS SG : rot 138:sc= 1.72! USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= 1.83 (180deg=1.64) USER MOD Single : A 75 SER OG : rot 167:sc= 1.49 USER MOD Single : A 85 LYS NZ :NH3+ 147:sc= 1.74 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -11.442 -8.794 -4.054 1.00 0.00 N ATOM 2 CA PRO A 62 -10.977 -7.550 -3.402 1.00 0.00 C ATOM 3 C PRO A 62 -10.189 -7.857 -2.125 1.00 0.00 C ATOM 4 O PRO A 62 -10.347 -8.931 -1.548 1.00 0.00 O ATOM 5 CB PRO A 62 -12.220 -6.680 -3.118 1.00 0.00 C ATOM 6 CG PRO A 62 -13.399 -7.445 -3.724 1.00 0.00 C ATOM 7 CD PRO A 62 -12.880 -8.873 -3.754 1.00 0.00 C ATOM 0 HA PRO A 62 -10.292 -7.009 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.358 -6.530 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.119 -5.692 -3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.299 -7.352 -3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.649 -7.083 -4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.049 -9.366 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.402 -9.459 -4.511 1.00 0.00 H new ATOM 15 N PHE A 63 -9.457 -6.870 -1.614 1.00 0.00 N ATOM 16 CA PHE A 63 -8.613 -6.968 -0.422 1.00 0.00 C ATOM 17 C PHE A 63 -8.582 -5.619 0.331 1.00 0.00 C ATOM 18 O PHE A 63 -9.272 -4.672 -0.051 1.00 0.00 O ATOM 19 CB PHE A 63 -7.225 -7.456 -0.883 1.00 0.00 C ATOM 20 CG PHE A 63 -6.280 -7.910 0.213 1.00 0.00 C ATOM 21 CD1 PHE A 63 -6.668 -8.921 1.113 1.00 0.00 C ATOM 22 CD2 PHE A 63 -4.989 -7.357 0.306 1.00 0.00 C ATOM 23 CE1 PHE A 63 -5.777 -9.357 2.108 1.00 0.00 C ATOM 24 CE2 PHE A 63 -4.098 -7.794 1.303 1.00 0.00 C ATOM 25 CZ PHE A 63 -4.494 -8.792 2.207 1.00 0.00 C ATOM 0 H PHE A 63 -9.434 -5.941 -2.035 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.008 -7.685 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.366 -8.283 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.745 -6.650 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.651 -9.362 1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.681 -6.593 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.079 -10.129 2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.111 -7.362 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.814 -9.125 2.977 1.00 0.00 H new ATOM 35 N ALA A 64 -7.806 -5.509 1.410 1.00 0.00 N ATOM 36 CA ALA A 64 -7.661 -4.282 2.199 1.00 0.00 C ATOM 37 C ALA A 64 -6.187 -3.960 2.489 1.00 0.00 C ATOM 38 O ALA A 64 -5.295 -4.765 2.203 1.00 0.00 O ATOM 39 CB ALA A 64 -8.481 -4.411 3.491 1.00 0.00 C ATOM 0 H ALA A 64 -7.249 -6.285 1.768 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.046 -3.443 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.376 -3.501 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.531 -4.563 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.119 -5.261 4.069 1.00 0.00 H new ATOM 45 N CYS A 65 -5.892 -2.703 2.818 1.00 0.00 N ATOM 46 CA CYS A 65 -4.595 -2.296 3.352 1.00 0.00 C ATOM 47 C CYS A 65 -4.552 -2.483 4.870 1.00 0.00 C ATOM 48 O CYS A 65 -5.272 -1.788 5.580 1.00 0.00 O ATOM 49 CB CYS A 65 -4.346 -0.834 2.984 1.00 0.00 C ATOM 50 SG CYS A 65 -3.881 -0.751 1.249 1.00 0.00 S ATOM 0 H CYS A 65 -6.553 -1.932 2.720 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.813 -2.920 2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.242 -0.240 3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.556 -0.416 3.608 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.667 0.487 0.916 1.00 0.00 H new ATOM 55 N ASP A 66 -3.448 -3.055 5.342 1.00 0.00 N ATOM 56 CA ASP A 66 -3.139 -3.157 6.774 1.00 0.00 C ATOM 57 C ASP A 66 -2.826 -1.794 7.427 1.00 0.00 C ATOM 58 O ASP A 66 -3.017 -1.616 8.626 1.00 0.00 O ATOM 59 CB ASP A 66 -1.942 -4.117 6.917 1.00 0.00 C ATOM 60 CG ASP A 66 -1.991 -5.008 8.161 1.00 0.00 C ATOM 61 OD1 ASP A 66 -1.003 -5.785 8.240 1.00 0.00 O ATOM 62 OD2 ASP A 66 -3.119 -5.415 8.516 1.00 0.00 O ATOM 0 H ASP A 66 -2.734 -3.466 4.741 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.017 -3.533 7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.893 -4.752 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.023 -3.531 6.940 1.00 0.00 H new ATOM 67 N ILE A 67 -2.356 -0.834 6.624 1.00 0.00 N ATOM 68 CA ILE A 67 -1.871 0.490 7.046 1.00 0.00 C ATOM 69 C ILE A 67 -2.964 1.569 6.954 1.00 0.00 C ATOM 70 O ILE A 67 -3.266 2.251 7.931 1.00 0.00 O ATOM 71 CB ILE A 67 -0.626 0.842 6.192 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.513 -0.196 6.352 1.00 0.00 C ATOM 73 CG2 ILE A 67 -0.107 2.264 6.459 1.00 0.00 C ATOM 74 CD1 ILE A 67 1.071 -0.342 7.774 1.00 0.00 C ATOM 0 H ILE A 67 -2.299 -0.962 5.614 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.593 0.456 8.099 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.963 0.807 5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.146 -1.168 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.330 0.080 5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.765 2.456 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.888 2.987 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.171 2.359 7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.862 -1.092 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.475 0.614 8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.273 -0.652 8.448 1.00 0.00 H new ATOM 86 N CYS A 68 -3.650 1.632 5.810 1.00 0.00 N ATOM 87 CA CYS A 68 -4.757 2.555 5.575 1.00 0.00 C ATOM 88 C CYS A 68 -6.077 2.085 6.243 1.00 0.00 C ATOM 89 O CYS A 68 -7.003 2.878 6.392 1.00 0.00 O ATOM 90 CB CYS A 68 -4.900 2.721 4.052 1.00 0.00 C ATOM 91 SG CYS A 68 -3.507 3.679 3.371 1.00 0.00 S ATOM 0 H CYS A 68 -3.447 1.033 5.010 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.541 3.518 6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.940 1.741 3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.839 3.224 3.823 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.107 3.134 2.261 1.00 0.00 H new ATOM 96 N GLY A 69 -6.280 0.767 6.364 1.00 0.00 N ATOM 97 CA GLY A 69 -7.582 0.126 6.617 1.00 0.00 C ATOM 98 C GLY A 69 -8.553 0.146 5.425 1.00 0.00 C ATOM 99 O GLY A 69 -9.683 -0.324 5.538 1.00 0.00 O ATOM 0 H GLY A 69 -5.519 0.093 6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.410 -0.910 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.057 0.622 7.463 1.00 0.00 H new ATOM 103 N ARG A 70 -8.169 0.773 4.308 1.00 0.00 N ATOM 104 CA ARG A 70 -9.032 1.043 3.143 1.00 0.00 C ATOM 105 C ARG A 70 -9.146 -0.179 2.224 1.00 0.00 C ATOM 106 O ARG A 70 -8.193 -0.945 2.074 1.00 0.00 O ATOM 107 CB ARG A 70 -8.529 2.298 2.401 1.00 0.00 C ATOM 108 CG ARG A 70 -8.612 3.532 3.317 1.00 0.00 C ATOM 109 CD ARG A 70 -7.993 4.798 2.722 1.00 0.00 C ATOM 110 NE ARG A 70 -7.996 5.875 3.728 1.00 0.00 N ATOM 111 CZ ARG A 70 -7.032 6.201 4.574 1.00 0.00 C ATOM 112 NH1 ARG A 70 -5.812 5.745 4.526 1.00 0.00 N ATOM 113 NH2 ARG A 70 -7.301 7.005 5.552 1.00 0.00 N ATOM 0 H ARG A 70 -7.218 1.120 4.181 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.044 1.244 3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.500 2.148 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.126 2.462 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.659 3.728 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.113 3.305 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.973 4.596 2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.555 5.109 1.841 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.845 6.438 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.542 5.086 3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.127 6.048 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.244 7.377 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.570 7.267 6.213 1.00 0.00 H new ATOM 127 N LYS A 71 -10.312 -0.342 1.588 1.00 0.00 N ATOM 128 CA LYS A 71 -10.615 -1.425 0.632 1.00 0.00 C ATOM 129 C LYS A 71 -9.966 -1.165 -0.732 1.00 0.00 C ATOM 130 O LYS A 71 -9.980 -0.028 -1.205 1.00 0.00 O ATOM 131 CB LYS A 71 -12.135 -1.554 0.462 1.00 0.00 C ATOM 132 CG LYS A 71 -12.847 -1.985 1.754 1.00 0.00 C ATOM 133 CD LYS A 71 -14.371 -1.837 1.666 1.00 0.00 C ATOM 134 CE LYS A 71 -14.986 -2.615 0.496 1.00 0.00 C ATOM 135 NZ LYS A 71 -16.436 -2.821 0.705 1.00 0.00 N ATOM 0 H LYS A 71 -11.098 0.293 1.725 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.206 -2.353 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.541 -0.598 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.347 -2.280 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.599 -3.024 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.475 -1.387 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.818 -2.182 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.622 -0.781 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.822 -2.071 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.488 -3.579 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.872 -3.147 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.582 -3.536 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.875 -1.925 0.997 1.00 0.00 H new ATOM 149 N PHE A 72 -9.658 -2.234 -1.465 1.00 0.00 N ATOM 150 CA PHE A 72 -9.094 -2.166 -2.817 1.00 0.00 C ATOM 151 C PHE A 72 -9.379 -3.441 -3.636 1.00 0.00 C ATOM 152 O PHE A 72 -9.831 -4.454 -3.097 1.00 0.00 O ATOM 153 CB PHE A 72 -7.581 -1.903 -2.685 1.00 0.00 C ATOM 154 CG PHE A 72 -6.939 -1.313 -3.924 1.00 0.00 C ATOM 155 CD1 PHE A 72 -5.977 -2.035 -4.654 1.00 0.00 C ATOM 156 CD2 PHE A 72 -7.308 -0.021 -4.344 1.00 0.00 C ATOM 157 CE1 PHE A 72 -5.396 -1.466 -5.801 1.00 0.00 C ATOM 158 CE2 PHE A 72 -6.729 0.543 -5.493 1.00 0.00 C ATOM 159 CZ PHE A 72 -5.770 -0.179 -6.221 1.00 0.00 C ATOM 0 H PHE A 72 -9.795 -3.189 -1.133 1.00 0.00 H new ATOM 0 HA PHE A 72 -9.570 -1.354 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.414 -1.227 -1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.081 -2.841 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.685 -3.024 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.039 0.539 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.659 -2.021 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.021 1.531 -5.816 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.321 0.254 -7.102 1.00 0.00 H new ATOM 169 N ALA A 73 -9.024 -3.417 -4.918 1.00 0.00 N ATOM 170 CA ALA A 73 -8.866 -4.582 -5.785 1.00 0.00 C ATOM 171 C ALA A 73 -7.630 -5.420 -5.374 1.00 0.00 C ATOM 172 O ALA A 73 -7.631 -6.048 -4.313 1.00 0.00 O ATOM 173 CB ALA A 73 -8.849 -4.078 -7.240 1.00 0.00 C ATOM 0 H ALA A 73 -8.829 -2.542 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.700 -5.276 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.732 -4.924 -7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.786 -3.565 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.017 -3.387 -7.376 1.00 0.00 H new ATOM 179 N ARG A 74 -6.536 -5.335 -6.147 1.00 0.00 N ATOM 180 CA ARG A 74 -5.210 -5.897 -5.829 1.00 0.00 C ATOM 181 C ARG A 74 -4.107 -5.074 -6.499 1.00 0.00 C ATOM 182 O ARG A 74 -3.529 -4.235 -5.816 1.00 0.00 O ATOM 183 CB ARG A 74 -5.184 -7.397 -6.199 1.00 0.00 C ATOM 184 CG ARG A 74 -3.784 -8.035 -6.168 1.00 0.00 C ATOM 185 CD ARG A 74 -3.853 -9.505 -6.603 1.00 0.00 C ATOM 186 NE ARG A 74 -2.516 -10.059 -6.869 1.00 0.00 N ATOM 187 CZ ARG A 74 -1.624 -10.312 -5.938 1.00 0.00 C ATOM 188 NH1 ARG A 74 -1.883 -11.281 -5.099 1.00 0.00 N ATOM 189 NH2 ARG A 74 -0.377 -10.075 -6.183 1.00 0.00 N ATOM 0 H ARG A 74 -6.549 -4.854 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.016 -5.835 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.833 -7.940 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.604 -7.520 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.113 -7.485 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.369 -7.966 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.342 -10.092 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.467 -9.590 -7.500 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.266 -10.259 -7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.752 -11.809 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.216 -11.509 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.098 -9.697 -7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.328 -10.266 -5.471 1.00 0.00 H new ATOM 203 N SER A 75 -4.075 -5.103 -7.835 1.00 0.00 N ATOM 204 CA SER A 75 -3.042 -4.522 -8.714 1.00 0.00 C ATOM 205 C SER A 75 -1.632 -5.063 -8.452 1.00 0.00 C ATOM 206 O SER A 75 -1.281 -5.457 -7.339 1.00 0.00 O ATOM 207 CB SER A 75 -3.078 -2.989 -8.720 1.00 0.00 C ATOM 208 OG SER A 75 -4.368 -2.548 -9.104 1.00 0.00 O ATOM 0 H SER A 75 -4.814 -5.560 -8.370 1.00 0.00 H new ATOM 0 HA SER A 75 -3.301 -4.855 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.830 -2.605 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.329 -2.600 -9.409 1.00 0.00 H new ATOM 0 HG SER A 75 -4.455 -1.590 -8.917 1.00 0.00 H new HETATM 214 N OUD A 76 -0.871 -5.217 -9.551 1.00 0.00 N HETATM 215 CA OUD A 76 0.398 -5.953 -9.566 1.00 0.00 C HETATM 216 C OUD A 76 1.668 -3.019 -9.713 1.00 0.00 C HETATM 217 O OUD A 76 2.038 -3.445 -8.627 1.00 0.00 O HETATM 218 CB OUD A 76 0.116 -7.458 -9.808 1.00 0.00 C HETATM 219 CG OUD A 76 1.201 -8.365 -9.282 1.00 0.00 C HETATM 220 OD1 OUD A 76 0.913 -9.112 -8.381 1.00 0.00 O HETATM 221 OD2 OUD A 76 2.284 -8.369 -9.836 1.00 0.00 O HETATM 222 CM OUD A 76 1.386 -5.379 -10.620 1.00 0.00 C HETATM 223 N2 OUD A 76 1.356 -3.912 -10.749 1.00 0.00 N HETATM 231 N OUE A 77 0.992 -1.785 -9.801 1.00 0.00 N HETATM 232 CA OUE A 77 1.187 -0.718 -8.810 1.00 0.00 C HETATM 233 C OUE A 77 -0.472 -2.035 -5.693 1.00 0.00 C HETATM 234 O OUE A 77 -0.074 -1.187 -4.904 1.00 0.00 O HETATM 235 CB OUE A 77 1.323 0.698 -9.427 1.00 0.00 C HETATM 236 CG OUE A 77 2.125 0.770 -10.755 1.00 0.00 C HETATM 237 CD OUE A 77 1.313 0.329 -11.956 1.00 0.00 C HETATM 238 OE1 OUE A 77 0.131 0.597 -11.997 1.00 0.00 O HETATM 239 OE2 OUE A 77 1.879 -0.271 -12.849 1.00 0.00 O HETATM 240 CM OUE A 77 0.048 -0.694 -7.770 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.074 -1.956 -7.040 1.00 0.00 N HETATM 251 N OUK A 78 -0.693 -3.355 -5.266 1.00 0.00 N HETATM 252 CA OUK A 78 -0.042 -3.955 -4.097 1.00 0.00 C HETATM 253 C OUK A 78 3.080 -3.545 -5.127 1.00 0.00 C HETATM 254 O OUK A 78 3.717 -3.823 -4.116 1.00 0.00 O HETATM 255 CB OUK A 78 -1.080 -4.722 -3.248 1.00 0.00 C HETATM 256 CG OUK A 78 -2.140 -3.805 -2.593 1.00 0.00 C HETATM 257 CD OUK A 78 -3.282 -4.650 -1.988 1.00 0.00 C HETATM 258 CE OUK A 78 -4.268 -3.782 -1.186 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.815 -3.479 0.221 1.00 0.00 N HETATM 260 CM OUK A 78 1.058 -4.941 -4.548 1.00 0.00 C HETATM 261 N2 OUK A 78 2.005 -4.365 -5.506 1.00 0.00 N HETATM 278 N OUR A 79 3.754 -3.029 -6.247 1.00 0.00 N HETATM 279 CA OUR A 79 4.891 -2.104 -6.171 1.00 0.00 C HETATM 280 C OUR A 79 3.211 0.889 -5.027 1.00 0.00 C HETATM 281 O OUR A 79 4.149 1.078 -4.261 1.00 0.00 O HETATM 282 CB OUR A 79 6.029 -2.566 -7.116 1.00 0.00 C HETATM 283 CG OUR A 79 6.586 -3.963 -6.769 1.00 0.00 C HETATM 284 CD OUR A 79 7.613 -4.410 -7.830 1.00 0.00 C HETATM 285 NE OUR A 79 8.262 -5.657 -7.446 1.00 0.00 N HETATM 286 CZ OUR A 79 9.246 -6.274 -8.110 1.00 0.00 C HETATM 287 NH1 OUR A 79 10.349 -6.684 -7.461 1.00 0.00 N HETATM 288 NH2 OUR A 79 9.161 -6.426 -9.433 1.00 0.00 N HETATM 289 CM OUR A 79 4.474 -0.667 -6.562 1.00 0.00 C HETATM 290 N2 OUR A 79 3.251 -0.222 -5.882 1.00 0.00 N HETATM 307 N OUH A 80 1.898 1.205 -4.636 1.00 0.00 N HETATM 308 CA OUH A 80 1.543 1.689 -3.296 1.00 0.00 C HETATM 309 C OUH A 80 3.078 -0.670 -1.538 1.00 0.00 C HETATM 310 O OUH A 80 3.008 -0.181 -0.418 1.00 0.00 O HETATM 311 CB OUH A 80 0.518 2.856 -3.393 1.00 0.00 C HETATM 312 CG OUH A 80 -0.747 2.647 -2.600 1.00 0.00 C HETATM 313 CD2 OUH A 80 -0.959 3.101 -1.322 1.00 0.00 C HETATM 314 ND1 OUH A 80 -1.851 1.901 -2.933 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.626 1.981 -1.815 1.00 0.00 C HETATM 316 NE2 OUH A 80 -2.096 2.677 -0.861 1.00 0.00 N HETATM 317 CM OUH A 80 1.053 0.520 -2.401 1.00 0.00 C HETATM 318 N2 OUH A 80 1.964 -0.624 -2.386 1.00 0.00 N HETATM 329 N OUK A 81 3.884 -1.797 -1.762 1.00 0.00 N HETATM 330 CA OUK A 81 5.101 -2.071 -0.987 1.00 0.00 C HETATM 331 C OUK A 81 6.484 0.935 -1.565 1.00 0.00 C HETATM 332 O OUK A 81 7.337 0.916 -0.686 1.00 0.00 O HETATM 333 CB OUK A 81 5.231 -3.582 -0.683 1.00 0.00 C HETATM 334 CG OUK A 81 3.999 -4.179 0.044 1.00 0.00 C HETATM 335 CD OUK A 81 4.153 -5.709 0.178 1.00 0.00 C HETATM 336 CE OUK A 81 2.904 -6.393 0.768 1.00 0.00 C HETATM 337 NZ OUK A 81 2.763 -6.291 2.259 1.00 0.00 N HETATM 338 CM OUK A 81 6.358 -1.585 -1.751 1.00 0.00 C HETATM 339 N2 OUK A 81 6.226 -0.230 -2.309 1.00 0.00 N HETATM 356 N OUI A 82 6.234 2.120 -2.284 1.00 0.00 N HETATM 357 CA OUI A 82 6.361 3.469 -1.703 1.00 0.00 C HETATM 358 C OUI A 82 3.673 3.537 0.430 1.00 0.00 C HETATM 359 O OUI A 82 2.820 4.379 0.676 1.00 0.00 O HETATM 360 CB OUI A 82 7.402 4.338 -2.478 1.00 0.00 C HETATM 361 CG1 OUI A 82 6.923 4.763 -3.898 1.00 0.00 C HETATM 362 CG2 OUI A 82 8.762 3.599 -2.541 1.00 0.00 C HETATM 363 CD1 OUI A 82 7.972 5.569 -4.691 1.00 0.00 C HETATM 364 CM OUI A 82 4.976 4.156 -1.594 1.00 0.00 C HETATM 365 N2 OUI A 82 3.994 3.302 -0.915 1.00 0.00 N HETATM 380 N OUH A 83 3.625 2.334 1.151 1.00 0.00 N HETATM 381 CA OUH A 83 3.674 2.289 2.618 1.00 0.00 C HETATM 382 C OUH A 83 7.422 1.527 2.985 1.00 0.00 C HETATM 383 O OUH A 83 7.601 1.423 4.191 1.00 0.00 O HETATM 384 CB OUH A 83 3.056 0.966 3.139 1.00 0.00 C HETATM 385 CG OUH A 83 1.669 0.700 2.603 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.740 1.652 2.250 1.00 0.00 C HETATM 387 ND1 OUH A 83 1.092 -0.513 2.309 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.124 -0.165 1.789 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.329 1.110 1.757 1.00 0.00 N HETATM 390 CM OUH A 83 5.117 2.489 3.142 1.00 0.00 C HETATM 391 N2 OUH A 83 6.115 1.633 2.480 1.00 0.00 N ATOM 402 N ARG A 84 8.342 0.939 2.093 1.00 0.00 N ATOM 403 CA ARG A 84 9.776 0.765 2.408 1.00 0.00 C ATOM 404 C ARG A 84 10.584 2.077 2.348 1.00 0.00 C ATOM 405 O ARG A 84 11.682 2.155 2.904 1.00 0.00 O ATOM 406 CB ARG A 84 10.347 -0.305 1.453 1.00 0.00 C ATOM 407 CG ARG A 84 11.776 -0.729 1.828 1.00 0.00 C ATOM 408 CD ARG A 84 12.238 -2.005 1.116 1.00 0.00 C ATOM 409 NE ARG A 84 12.628 -1.760 -0.290 1.00 0.00 N ATOM 410 CZ ARG A 84 13.842 -1.868 -0.807 1.00 0.00 C ATOM 411 NH1 ARG A 84 14.069 -1.546 -2.045 1.00 0.00 N ATOM 412 NH2 ARG A 84 14.872 -2.264 -0.120 1.00 0.00 N ATOM 0 H ARG A 84 8.081 0.594 1.170 1.00 0.00 H new ATOM 0 HA ARG A 84 9.866 0.437 3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.698 -1.180 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.342 0.083 0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.463 0.082 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.831 -0.883 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.084 -2.432 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.437 -2.743 1.144 1.00 0.00 H new ATOM 0 HE ARG A 84 11.884 -1.478 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.307 -1.205 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.009 -1.634 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.765 -2.508 0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.787 -2.330 -0.565 1.00 0.00 H new ATOM 426 N LYS A 85 10.028 3.084 1.677 1.00 0.00 N ATOM 427 CA LYS A 85 10.514 4.454 1.481 1.00 0.00 C ATOM 428 C LYS A 85 9.289 5.375 1.381 1.00 0.00 C ATOM 429 O LYS A 85 8.220 4.905 0.984 1.00 0.00 O ATOM 430 CB LYS A 85 11.322 4.565 0.168 1.00 0.00 C ATOM 431 CG LYS A 85 12.680 3.851 0.139 1.00 0.00 C ATOM 432 CD LYS A 85 13.265 3.782 -1.285 1.00 0.00 C ATOM 433 CE LYS A 85 13.293 5.097 -2.081 1.00 0.00 C ATOM 434 NZ LYS A 85 13.991 6.189 -1.366 1.00 0.00 N ATOM 0 H LYS A 85 9.133 2.949 1.207 1.00 0.00 H new ATOM 0 HA LYS A 85 11.160 4.734 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.711 4.170 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.487 5.622 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.378 4.373 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.567 2.841 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.285 3.403 -1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.691 3.051 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.784 4.925 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.271 5.407 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.468 6.806 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.300 6.746 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.696 5.784 -0.717 1.00 0.00 H new ATOM 448 N ASP A 86 9.558 6.675 1.368 1.00 0.00 N ATOM 449 CA ASP A 86 8.858 7.656 0.524 1.00 0.00 C ATOM 450 C ASP A 86 9.888 8.597 -0.130 1.00 0.00 C ATOM 451 O ASP A 86 10.922 8.045 -0.584 1.00 0.00 O ATOM 452 CB ASP A 86 7.754 8.373 1.336 1.00 0.00 C ATOM 453 CG ASP A 86 6.856 9.310 0.505 1.00 0.00 C ATOM 454 OD1 ASP A 86 6.540 8.927 -0.650 1.00 0.00 O ATOM 455 OD2 ASP A 86 6.065 10.024 1.160 1.00 0.00 O ATOM 456 OXT ASP A 86 9.879 9.811 0.142 1.00 0.00 O ATOM 0 H ASP A 86 10.282 7.093 1.953 1.00 0.00 H new ATOM 0 HA ASP A 86 8.335 7.161 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.127 7.621 1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.224 8.952 2.132 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.519 1.950 1.048 1.00 0.00 ZN HETATM 463 O HOH A 201 12.579 8.438 -2.442 1.00 0.00 O HETATM 466 O HOH A 202 10.020 11.494 -1.765 1.00 0.00 O HETATM 469 O HOH A 203 1.583 -5.718 8.151 1.00 0.00 O HETATM 472 O HOH A 204 -1.625 3.466 1.564 1.00 0.00 O HETATM 475 O HOH A 205 10.233 11.172 2.331 1.00 0.00 O HETATM 478 O HOH A 206 -5.702 -5.054 8.580 1.00 0.00 O HETATM 481 O HOH A 207 -3.196 -6.004 11.084 1.00 0.00 O HETATM 484 O HOH A 208 -1.283 -1.511 -12.732 1.00 0.00 O HETATM 487 O HOH A 209 4.777 7.558 -2.066 1.00 0.00 O HETATM 490 O HOH A 210 1.929 -8.885 -12.406 1.00 0.00 O HETATM 493 O HOH A 211 -0.365 3.192 -11.742 1.00 0.00 O HETATM 496 O HOH A 212 -11.725 -0.938 7.127 1.00 0.00 O HETATM 499 O HOH A 213 -4.418 0.060 -9.623 1.00 0.00 O HETATM 502 O HOH A 214 -4.047 -0.566 10.882 1.00 0.00 O HETATM 505 O HOH A 215 2.912 -10.920 -8.444 1.00 0.00 O HETATM 508 O HOH A 216 -12.040 1.499 -2.048 1.00 0.00 O HETATM 511 O HOH A 217 3.797 1.484 -13.590 1.00 0.00 O HETATM 514 O HOH A 218 -11.688 -10.066 0.524 1.00 0.00 O HETATM 517 O HOH A 219 4.859 -9.212 -9.565 1.00 0.00 O HETATM 520 O HOH A 220 3.914 9.712 -0.528 1.00 0.00 O HETATM 523 O HOH A 221 0.030 0.308 -14.792 1.00 0.00 O HETATM 526 O HOH A 222 -2.564 -7.855 7.323 1.00 0.00 O HETATM 529 O HOH A 223 -10.501 -8.977 -6.682 1.00 0.00 O HETATM 532 O HOH A 224 -18.994 -3.695 -0.053 1.00 0.00 O HETATM 535 O HOH A 225 -4.360 -12.562 -4.753 1.00 0.00 O HETATM 538 O HOH A 226 1.338 -12.319 -6.242 1.00 0.00 O HETATM 541 O HOH A 227 15.778 7.671 -2.984 1.00 0.00 O HETATM 544 O HOH A 228 8.313 2.894 6.504 1.00 0.00 O HETATM 547 O HOH A 229 12.417 -0.566 -4.132 1.00 0.00 O HETATM 550 O HOH A 230 -0.455 -13.406 -3.865 1.00 0.00 O HETATM 553 O HOH A 231 -4.048 4.956 8.393 1.00 0.00 O HETATM 556 O HOH A 232 0.797 -7.467 3.980 1.00 0.00 O HETATM 559 O HOH A 233 -17.903 -0.719 1.989 1.00 0.00 O HETATM 562 O HOH A 234 -9.989 -0.971 -6.068 1.00 0.00 O HETATM 565 O HOH A 235 1.458 -4.006 3.405 1.00 0.00 O HETATM 568 O HOH A 236 -16.178 -4.611 2.937 1.00 0.00 O HETATM 571 O HOH A 237 5.277 -7.388 3.133 1.00 0.00 O HETATM 574 O HOH A 238 -4.722 -7.281 -9.612 1.00 0.00 O HETATM 577 O HOH A 239 6.717 -7.435 -10.589 1.00 0.00 O HETATM 580 O HOH A 240 17.296 -1.658 -1.589 1.00 0.00 O HETATM 583 O HOH A 241 -6.173 6.679 8.204 1.00 0.00 O HETATM 586 O HOH A 242 16.349 4.978 -0.143 1.00 0.00 O HETATM 589 O HOH A 243 12.014 -6.885 -10.048 1.00 0.00 O HETATM 592 O HOH A 244 7.154 -7.754 -5.648 1.00 0.00 O HETATM 595 O HOH A 245 -6.099 9.292 7.085 1.00 0.00 O HETATM 598 O HOH A 246 -10.931 6.530 3.880 1.00 0.00 O HETATM 601 O HOH A 247 16.335 -0.673 -3.847 1.00 0.00 O HETATM 604 O HOH A 248 -8.663 9.666 6.079 1.00 0.00 O HETATM 607 O HOH A 249 0.761 -2.995 -13.591 1.00 0.00 O HETATM 610 O HOH A 250 -16.799 -0.157 -0.739 1.00 0.00 O HETATM 613 O HOH A 251 -16.280 -4.850 -1.590 1.00 0.00 O HETATM 616 O HOH A 252 -2.767 -11.827 -9.432 1.00 0.00 O HETATM 619 O HOH A 253 -5.599 -2.697 -11.978 1.00 0.00 O HETATM 622 O HOH A 254 -2.040 -5.437 -12.500 1.00 0.00 O HETATM 625 O HOH A 255 -8.898 6.788 8.319 1.00 0.00 O HETATM 628 O HOH A 256 4.243 -6.959 -3.645 1.00 0.00 O HETATM 631 O HOH A 257 16.559 4.984 -2.903 1.00 0.00 O HETATM 634 O HOH A 258 -7.020 7.327 1.001 1.00 0.00 O HETATM 637 O HOH A 259 11.960 -6.134 -4.680 1.00 0.00 O HETATM 640 O HOH A 260 4.897 -5.001 4.375 1.00 0.00 O HETATM 643 O HOH A 261 14.520 0.637 3.510 1.00 0.00 O HETATM 646 O HOH A 262 -12.735 -11.826 -3.920 1.00 0.00 O HETATM 649 O HOH A 263 2.273 -5.695 5.482 1.00 0.00 O HETATM 652 O HOH A 264 -12.935 1.690 1.783 1.00 0.00 O HETATM 655 O HOH A 265 9.650 0.525 6.657 1.00 0.00 O HETATM 658 O HOH A 266 -5.017 3.694 -2.115 1.00 0.00 O HETATM 661 O HOH A 267 -10.558 7.608 6.405 1.00 0.00 O HETATM 664 O HOH A 268 16.853 -5.022 0.549 1.00 0.00 O HETATM 667 O HOH A 269 -8.294 2.011 9.510 1.00 0.00 O HETATM 670 O HOH A 270 -3.055 5.166 -3.249 1.00 0.00 O HETATM 673 O HOH A 271 7.537 -9.138 -7.916 1.00 0.00 O HETATM 676 O HOH A 272 14.191 -5.566 0.847 1.00 0.00 O HETATM 679 O HOH A 273 8.897 -1.741 5.207 1.00 0.00 O HETATM 682 O HOH A 274 7.096 8.983 -4.185 1.00 0.00 O HETATM 685 O HOH A 275 -0.580 -14.340 -6.446 1.00 0.00 O HETATM 688 O HOH A 276 -0.658 -4.463 1.630 1.00 0.00 O HETATM 691 O HOH A 277 -1.460 5.029 9.390 1.00 0.00 O HETATM 694 O HOH A 278 13.663 -7.504 -6.253 1.00 0.00 O HETATM 697 O HOH A 279 12.750 11.133 -1.647 1.00 0.00 O HETATM 700 O HOH A 280 -10.442 -3.341 7.439 1.00 0.00 O HETATM 703 O HOH A 281 12.910 0.031 5.697 1.00 0.00 O HETATM 706 O HOH A 282 3.595 -2.559 4.205 1.00 0.00 O HETATM 709 O HOH A 283 -18.290 -2.524 3.961 1.00 0.00 O HETATM 712 O HOH A 284 -9.409 -11.881 0.608 1.00 0.00 O HETATM 715 O HOH A 285 -2.630 6.325 2.541 1.00 0.00 O HETATM 718 O HOH A 286 -7.041 -4.657 -10.832 1.00 0.00 O HETATM 721 O HOH A 287 -4.542 8.077 1.767 1.00 0.00 O HETATM 724 O HOH A 288 -0.197 2.772 10.172 1.00 0.00 O HETATM 727 O HOH A 289 -13.096 -9.116 -7.504 1.00 0.00 O HETATM 730 O HOH A 290 -11.445 3.285 0.105 1.00 0.00 O HETATM 733 O HOH A 291 -10.513 0.572 9.199 1.00 0.00 O HETATM 736 O HOH A 292 -2.933 -13.948 -7.703 1.00 0.00 O HETATM 739 O HOH A 293 17.586 -3.321 2.475 1.00 0.00 O HETATM 742 O HOH A 294 10.810 5.878 4.992 1.00 0.00 O HETATM 745 O HOH A 295 -6.230 -6.855 6.600 1.00 0.00 O HETATM 748 O HOH A 296 13.413 -2.532 -5.831 1.00 0.00 O HETATM 751 O HOH A 297 17.803 -4.331 -1.923 1.00 0.00 O HETATM 754 O HOH A 298 -8.768 -10.927 -6.224 1.00 0.00 O HETATM 757 O HOH A 299 -9.228 -7.389 -8.421 1.00 0.00 O HETATM 760 O HOH A 300 2.104 -8.726 -3.238 1.00 0.00 O HETATM 763 O HOH A 301 -9.169 -1.838 9.305 1.00 0.00 O HETATM 766 O HOH A 302 4.465 -9.950 3.010 1.00 0.00 O HETATM 769 O HOH A 303 -1.626 -6.262 3.391 1.00 0.00 O HETATM 772 O HOH A 304 -12.312 -2.060 -7.053 1.00 0.00 O HETATM 775 O HOH A 305 -12.860 -6.427 -7.175 1.00 0.00 O HETATM 778 O HOH A 306 11.244 7.981 -4.747 1.00 0.00 O HETATM 781 O HOH A 307 16.828 -0.813 3.293 1.00 0.00 O HETATM 784 O HOH A 308 -14.317 -9.685 -0.379 1.00 0.00 O HETATM 787 O HOH A 309 9.766 -0.573 -4.565 1.00 0.00 O HETATM 790 O HOH A 310 -0.686 6.335 -2.414 1.00 0.00 O HETATM 793 O HOH A 311 3.291 -9.323 -0.670 1.00 0.00 O HETATM 796 O HOH A 312 -3.351 -7.739 -11.915 1.00 0.00 O HETATM 799 O HOH A 313 1.814 -5.159 -14.833 1.00 0.00 O HETATM 802 O HOH A 314 15.793 -5.194 -3.545 1.00 0.00 O HETATM 805 O HOH A 315 -1.147 -8.877 5.222 1.00 0.00 O HETATM 808 O HOH A 316 -18.450 -1.027 -2.701 1.00 0.00 O HETATM 811 O HOH A 317 -7.586 -11.394 -3.827 1.00 0.00 O HETATM 814 O HOH A 318 -0.956 -1.928 12.440 1.00 0.00 O HETATM 817 O HOH A 319 -11.231 2.869 -4.259 1.00 0.00 O HETATM 820 O HOH A 320 6.199 0.348 -13.419 1.00 0.00 O HETATM 823 O HOH A 321 6.102 6.368 4.567 1.00 0.00 O HETATM 826 O HOH A 322 -12.884 2.689 5.055 1.00 0.00 O HETATM 829 O HOH A 323 -3.270 -3.132 -13.369 1.00 0.00 O HETATM 832 O HOH A 324 -0.785 5.780 6.808 1.00 0.00 O HETATM 835 O HOH A 325 15.193 3.439 -4.663 1.00 0.00 O HETATM 838 O HOH A 326 3.317 -7.331 -14.056 1.00 0.00 O HETATM 841 O HOH A 327 15.185 10.307 -2.627 1.00 0.00 O HETATM 844 O HOH A 328 6.830 -2.982 3.913 1.00 0.00 O HETATM 847 O HOH A 329 1.147 0.028 -17.263 1.00 0.00 O HETATM 850 O HOH A 330 5.948 -1.045 -11.122 1.00 0.00 O HETATM 853 O HOH A 331 -12.051 4.197 2.714 1.00 0.00 O HETATM 856 O HOH A 332 9.464 -10.902 -8.794 1.00 0.00 O HETATM 859 O HOH A 333 -1.585 -4.559 12.695 1.00 0.00 O HETATM 862 O HOH A 334 -6.291 0.967 11.062 1.00 0.00 O HETATM 865 O HOH A 335 -6.852 1.247 -9.289 1.00 0.00 O HETATM 868 O HOH A 336 -10.410 -9.715 2.933 1.00 0.00 O HETATM 871 O HOH A 337 -14.369 1.047 -0.627 1.00 0.00 O HETATM 874 O HOH A 338 12.874 2.055 -4.581 1.00 0.00 O HETATM 877 O HOH A 339 -7.964 -12.824 -1.455 1.00 0.00 O HETATM 880 O HOH A 340 3.441 6.254 4.804 1.00 0.00 O HETATM 883 O HOH A 341 11.597 4.491 -4.879 1.00 0.00 O HETATM 886 O HOH A 342 2.757 3.999 -14.307 1.00 0.00 O HETATM 889 O HOH A 343 -5.351 -12.373 -2.256 1.00 0.00 O HETATM 892 O HOH A 344 -14.166 -3.954 4.582 1.00 0.00 O HETATM 895 O HOH A 345 8.355 5.624 6.047 1.00 0.00 O HETATM 898 O HOH A 346 -6.972 -10.334 -8.286 1.00 0.00 O HETATM 901 O HOH A 347 9.943 10.211 4.810 1.00 0.00 O HETATM 904 O HOH A 348 -2.479 5.442 -5.940 1.00 0.00 O HETATM 907 O HOH A 349 7.262 -7.234 1.324 1.00 0.00 O HETATM 910 O HOH A 350 -14.269 0.724 3.879 1.00 0.00 O HETATM 913 O HOH A 351 15.640 -6.810 -1.238 1.00 0.00 O HETATM 916 O HOH A 352 -4.885 -9.119 6.128 1.00 0.00 O HETATM 919 O HOH A 353 -15.233 -3.604 -3.824 1.00 0.00 O HETATM 922 O HOH A 354 5.509 -6.290 -12.739 1.00 0.00 O HETATM 925 O HOH A 355 14.591 -5.003 -5.924 1.00 0.00 O HETATM 928 O HOH A 356 -7.259 -8.027 -10.080 1.00 0.00 O HETATM 931 O HOH A 357 -19.966 -3.240 -2.579 1.00 0.00 O HETATM 934 O HOH A 358 16.231 7.117 -5.573 1.00 0.00 O HETATM 937 O HOH A 359 1.217 5.310 -12.501 1.00 0.00 O HETATM 940 O HOH A 360 13.174 -2.483 4.488 1.00 0.00 O HETATM 943 O HOH A 361 -1.145 7.157 4.579 1.00 0.00 O HETATM 946 O HOH A 362 4.140 3.964 -11.928 1.00 0.00 O HETATM 949 O HOH A 363 -0.438 4.737 -9.418 1.00 0.00 O HETATM 952 O HOH A 364 -18.563 -5.549 -2.786 1.00 0.00 O HETATM 955 O HOH A 365 3.634 -3.869 7.947 1.00 0.00 O HETATM 958 O HOH A 366 -8.542 -5.323 7.149 1.00 0.00 O HETATM 961 O HOH A 367 4.191 -1.551 6.643 1.00 0.00 O HETATM 964 O HOH A 368 8.064 -8.652 -3.261 1.00 0.00 O HETATM 967 O HOH A 369 -11.967 -4.973 5.721 1.00 0.00 O HETATM 970 O HOH A 370 -14.054 -4.097 -6.221 1.00 0.00 O HETATM 973 O HOH A 371 7.448 0.036 -9.162 1.00 0.00 O HETATM 976 O HOH A 372 7.865 -4.683 2.066 1.00 0.00 O HETATM 979 O HOH A 373 -14.409 -12.762 -2.010 1.00 0.00 O HETATM 982 O HOH A 374 -9.431 0.854 -8.218 1.00 0.00 O HETATM 985 O HOH A 375 14.546 5.267 -6.684 1.00 0.00 O HETATM 988 O HOH A 376 -1.911 -11.266 0.330 1.00 0.00 O HETATM 991 O HOH A 377 18.092 2.889 0.002 1.00 0.00 O HETATM 994 O HOH A 378 11.338 -6.930 -2.065 1.00 0.00 O HETATM 997 O HOH A 379 -8.884 4.131 -4.822 1.00 0.00 O HETATM 1000 O HOH A 380 9.259 -0.091 -7.144 1.00 0.00 O HETATM 1003 O HOH A 381 1.952 5.759 -8.006 1.00 0.00 O HETATM 1006 O HOH A 382 -11.373 -5.961 -9.403 1.00 0.00 O HETATM 1009 O HOH A 383 5.510 -8.848 -2.140 1.00 0.00 O HETATM 1012 O HOH A 384 12.128 6.475 -6.743 1.00 0.00 O HETATM 1015 O HOH A 385 -9.726 -4.385 -10.792 1.00 0.00 O HETATM 1018 O HOH A 386 -8.450 -11.531 3.217 1.00 0.00 O HETATM 1021 O HOH A 387 -10.420 -7.133 6.343 1.00 0.00 O HETATM 1024 O HOH A 388 2.393 1.861 10.270 1.00 0.00 O HETATM 1027 O HOH A 389 -16.538 -11.051 -1.467 1.00 0.00 O HETATM 1030 O HOH A 390 6.685 8.350 -6.808 1.00 0.00 O HETATM 1033 O HOH A 391 4.235 6.779 -6.720 1.00 0.00 O HETATM 1036 O HOH A 392 1.895 5.703 6.987 1.00 0.00 O HETATM 1039 O HOH A 393 3.085 5.949 -10.479 1.00 0.00 O HETATM 1042 O HOH A 394 4.182 -0.139 9.262 1.00 0.00 O HETATM 1045 O HOH A 395 8.878 -7.472 -0.896 1.00 0.00 O HETATM 1048 O HOH A 396 -6.589 -11.040 5.260 1.00 0.00 O HETATM 1051 O HOH A 397 -7.062 -13.837 2.733 1.00 0.00 O HETATM 1054 O HOH A 398 -2.356 -12.314 2.817 1.00 0.00 O HETATM 1057 O HOH A 399 -4.857 -12.562 3.697 1.00 0.00 O