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 108:sc= -1.59! USER MOD Single : A 68 CYS SG : rot 101:sc= 3.99 USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 2.59 (180deg=1.14) USER MOD Single : A 75 SER OG : rot -87:sc= 1.24 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 2.21 (180deg=2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -11.898 -9.261 -2.083 1.00 0.00 N ATOM 2 CA PRO A 62 -10.978 -8.125 -2.344 1.00 0.00 C ATOM 3 C PRO A 62 -9.929 -8.002 -1.229 1.00 0.00 C ATOM 4 O PRO A 62 -10.198 -8.397 -0.095 1.00 0.00 O ATOM 5 CB PRO A 62 -11.845 -6.861 -2.450 1.00 0.00 C ATOM 6 CG PRO A 62 -13.048 -7.188 -1.568 1.00 0.00 C ATOM 7 CD PRO A 62 -13.232 -8.675 -1.853 1.00 0.00 C ATOM 0 HA PRO A 62 -10.422 -8.278 -3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.314 -5.978 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.143 -6.662 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.850 -6.993 -0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.928 -6.605 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.725 -9.166 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.868 -8.820 -2.726 1.00 0.00 H new ATOM 15 N PHE A 63 -8.757 -7.446 -1.538 1.00 0.00 N ATOM 16 CA PHE A 63 -7.723 -7.117 -0.546 1.00 0.00 C ATOM 17 C PHE A 63 -8.065 -5.833 0.240 1.00 0.00 C ATOM 18 O PHE A 63 -9.044 -5.144 -0.045 1.00 0.00 O ATOM 19 CB PHE A 63 -6.366 -7.029 -1.273 1.00 0.00 C ATOM 20 CG PHE A 63 -5.781 -8.390 -1.609 1.00 0.00 C ATOM 21 CD1 PHE A 63 -6.128 -9.048 -2.804 1.00 0.00 C ATOM 22 CD2 PHE A 63 -4.931 -9.034 -0.686 1.00 0.00 C ATOM 23 CE1 PHE A 63 -5.642 -10.340 -3.072 1.00 0.00 C ATOM 24 CE2 PHE A 63 -4.445 -10.326 -0.953 1.00 0.00 C ATOM 25 CZ PHE A 63 -4.804 -10.980 -2.145 1.00 0.00 C ATOM 0 H PHE A 63 -8.492 -7.207 -2.494 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.670 -7.903 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.489 -6.456 -2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.661 -6.481 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.771 -8.558 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.652 -8.533 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.913 -10.840 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.796 -10.816 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.435 -11.975 -2.347 1.00 0.00 H new ATOM 35 N ALA A 64 -7.207 -5.451 1.189 1.00 0.00 N ATOM 36 CA ALA A 64 -7.268 -4.166 1.885 1.00 0.00 C ATOM 37 C ALA A 64 -5.863 -3.652 2.234 1.00 0.00 C ATOM 38 O ALA A 64 -4.880 -4.384 2.112 1.00 0.00 O ATOM 39 CB ALA A 64 -8.155 -4.310 3.132 1.00 0.00 C ATOM 0 H ALA A 64 -6.435 -6.040 1.501 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.712 -3.420 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.205 -3.355 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.158 -4.612 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.732 -5.065 3.794 1.00 0.00 H new ATOM 45 N CYS A 65 -5.740 -2.334 2.393 1.00 0.00 N ATOM 46 CA CYS A 65 -4.570 -1.723 3.001 1.00 0.00 C ATOM 47 C CYS A 65 -4.517 -2.032 4.501 1.00 0.00 C ATOM 48 O CYS A 65 -5.313 -1.500 5.274 1.00 0.00 O ATOM 49 CB CYS A 65 -4.625 -0.211 2.786 1.00 0.00 C ATOM 50 SG CYS A 65 -3.964 0.192 1.165 1.00 0.00 S ATOM 0 H CYS A 65 -6.452 -1.664 2.102 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.674 -2.131 2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.653 0.141 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.051 0.298 3.561 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.934 0.556 0.379 1.00 0.00 H new ATOM 55 N ASP A 66 -3.358 -2.545 4.889 1.00 0.00 N ATOM 56 CA ASP A 66 -2.949 -2.766 6.274 1.00 0.00 C ATOM 57 C ASP A 66 -2.793 -1.454 7.063 1.00 0.00 C ATOM 58 O ASP A 66 -3.142 -1.395 8.237 1.00 0.00 O ATOM 59 CB ASP A 66 -1.615 -3.525 6.185 1.00 0.00 C ATOM 60 CG ASP A 66 -1.298 -4.443 7.362 1.00 0.00 C ATOM 61 OD1 ASP A 66 -2.270 -4.881 8.020 1.00 0.00 O ATOM 62 OD2 ASP A 66 -0.330 -5.197 7.111 1.00 0.00 O ATOM 0 H ASP A 66 -2.644 -2.832 4.220 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.708 -3.328 6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.617 -4.121 5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.809 -2.797 6.088 1.00 0.00 H new ATOM 67 N ILE A 67 -2.391 -0.374 6.376 1.00 0.00 N ATOM 68 CA ILE A 67 -2.030 0.926 6.969 1.00 0.00 C ATOM 69 C ILE A 67 -3.104 2.008 6.759 1.00 0.00 C ATOM 70 O ILE A 67 -3.424 2.756 7.682 1.00 0.00 O ATOM 71 CB ILE A 67 -0.658 1.364 6.398 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.459 0.313 6.613 1.00 0.00 C ATOM 73 CG2 ILE A 67 -0.199 2.724 6.943 1.00 0.00 C ATOM 74 CD1 ILE A 67 0.729 -0.098 8.070 1.00 0.00 C ATOM 0 H ILE A 67 -2.305 -0.380 5.360 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.962 0.802 8.050 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.826 1.458 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.202 -0.582 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.384 0.704 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.768 2.982 6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.931 3.488 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.108 2.669 8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.530 -0.837 8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.025 0.779 8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.176 -0.527 8.501 1.00 0.00 H new ATOM 86 N CYS A 68 -3.735 2.053 5.577 1.00 0.00 N ATOM 87 CA CYS A 68 -4.827 2.988 5.271 1.00 0.00 C ATOM 88 C CYS A 68 -6.222 2.500 5.752 1.00 0.00 C ATOM 89 O CYS A 68 -7.210 3.205 5.537 1.00 0.00 O ATOM 90 CB CYS A 68 -4.834 3.285 3.758 1.00 0.00 C ATOM 91 SG CYS A 68 -3.470 4.392 3.268 1.00 0.00 S ATOM 0 H CYS A 68 -3.500 1.436 4.800 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.635 3.903 5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.757 2.349 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.786 3.740 3.483 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.508 3.691 2.746 1.00 0.00 H new ATOM 96 N GLY A 69 -6.369 1.216 6.105 1.00 0.00 N ATOM 97 CA GLY A 69 -7.646 0.554 6.441 1.00 0.00 C ATOM 98 C GLY A 69 -8.633 0.365 5.272 1.00 0.00 C ATOM 99 O GLY A 69 -9.706 -0.216 5.441 1.00 0.00 O ATOM 0 H GLY A 69 -5.573 0.581 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.425 -0.425 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.141 1.135 7.219 1.00 0.00 H new ATOM 103 N ARG A 70 -8.291 0.857 4.076 1.00 0.00 N ATOM 104 CA ARG A 70 -9.161 0.880 2.892 1.00 0.00 C ATOM 105 C ARG A 70 -9.159 -0.467 2.156 1.00 0.00 C ATOM 106 O ARG A 70 -8.092 -0.960 1.799 1.00 0.00 O ATOM 107 CB ARG A 70 -8.719 2.039 1.985 1.00 0.00 C ATOM 108 CG ARG A 70 -9.775 2.298 0.907 1.00 0.00 C ATOM 109 CD ARG A 70 -9.400 3.453 -0.023 1.00 0.00 C ATOM 110 NE ARG A 70 -10.574 3.990 -0.731 1.00 0.00 N ATOM 111 CZ ARG A 70 -11.466 3.368 -1.487 1.00 0.00 C ATOM 112 NH1 ARG A 70 -12.425 4.055 -2.015 1.00 0.00 N ATOM 113 NH2 ARG A 70 -11.490 2.084 -1.719 1.00 0.00 N ATOM 0 H ARG A 70 -7.372 1.263 3.899 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.193 1.043 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.568 2.939 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.763 1.801 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.915 1.393 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.730 2.517 1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.930 4.248 0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.663 3.110 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.723 4.993 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.486 5.059 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.121 3.593 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.783 1.477 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.216 1.687 -2.316 1.00 0.00 H new ATOM 127 N LYS A 71 -10.321 -0.925 1.675 1.00 0.00 N ATOM 128 CA LYS A 71 -10.447 -2.099 0.777 1.00 0.00 C ATOM 129 C LYS A 71 -10.190 -1.779 -0.714 1.00 0.00 C ATOM 130 O LYS A 71 -10.246 -0.616 -1.118 1.00 0.00 O ATOM 131 CB LYS A 71 -11.750 -2.858 1.072 1.00 0.00 C ATOM 132 CG LYS A 71 -13.039 -2.126 0.669 1.00 0.00 C ATOM 133 CD LYS A 71 -14.222 -2.567 1.544 1.00 0.00 C ATOM 134 CE LYS A 71 -14.200 -1.796 2.870 1.00 0.00 C ATOM 135 NZ LYS A 71 -15.246 -2.259 3.810 1.00 0.00 N ATOM 0 H LYS A 71 -11.217 -0.491 1.896 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.633 -2.787 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.718 -3.817 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.792 -3.074 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.894 -1.050 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.263 -2.327 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.161 -2.384 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.166 -3.639 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.221 -1.908 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.339 -0.733 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.567 -1.460 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.050 -2.641 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.856 -3.001 4.425 1.00 0.00 H new ATOM 149 N PHE A 72 -9.661 -2.768 -1.443 1.00 0.00 N ATOM 150 CA PHE A 72 -8.943 -2.641 -2.725 1.00 0.00 C ATOM 151 C PHE A 72 -9.086 -3.907 -3.599 1.00 0.00 C ATOM 152 O PHE A 72 -9.152 -5.015 -3.075 1.00 0.00 O ATOM 153 CB PHE A 72 -7.444 -2.389 -2.447 1.00 0.00 C ATOM 154 CG PHE A 72 -7.010 -0.944 -2.571 1.00 0.00 C ATOM 155 CD1 PHE A 72 -6.593 -0.443 -3.820 1.00 0.00 C ATOM 156 CD2 PHE A 72 -6.996 -0.101 -1.444 1.00 0.00 C ATOM 157 CE1 PHE A 72 -6.184 0.896 -3.942 1.00 0.00 C ATOM 158 CE2 PHE A 72 -6.583 1.237 -1.566 1.00 0.00 C ATOM 159 CZ PHE A 72 -6.184 1.738 -2.818 1.00 0.00 C ATOM 0 H PHE A 72 -9.724 -3.739 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 72 -9.383 -1.805 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.212 -2.739 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.854 -2.991 -3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.588 -1.089 -4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.304 -0.484 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.869 1.278 -4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.572 1.880 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.878 2.769 -2.915 1.00 0.00 H new ATOM 169 N ALA A 73 -8.789 -3.774 -4.900 1.00 0.00 N ATOM 170 CA ALA A 73 -8.739 -4.877 -5.867 1.00 0.00 C ATOM 171 C ALA A 73 -7.605 -5.905 -5.617 1.00 0.00 C ATOM 172 O ALA A 73 -7.824 -6.896 -4.922 1.00 0.00 O ATOM 173 CB ALA A 73 -8.713 -4.273 -7.280 1.00 0.00 C ATOM 0 H ALA A 73 -8.571 -2.870 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.637 -5.483 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.676 -5.075 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.612 -3.677 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.833 -3.639 -7.388 1.00 0.00 H new ATOM 179 N ARG A 74 -6.467 -5.777 -6.327 1.00 0.00 N ATOM 180 CA ARG A 74 -5.288 -6.676 -6.269 1.00 0.00 C ATOM 181 C ARG A 74 -4.043 -6.050 -6.905 1.00 0.00 C ATOM 182 O ARG A 74 -2.999 -6.055 -6.262 1.00 0.00 O ATOM 183 CB ARG A 74 -5.603 -8.031 -6.941 1.00 0.00 C ATOM 184 CG ARG A 74 -4.394 -8.974 -7.107 1.00 0.00 C ATOM 185 CD ARG A 74 -3.624 -9.300 -5.811 1.00 0.00 C ATOM 186 NE ARG A 74 -2.191 -8.967 -5.935 1.00 0.00 N ATOM 187 CZ ARG A 74 -1.202 -9.468 -5.218 1.00 0.00 C ATOM 188 NH1 ARG A 74 0.026 -9.107 -5.415 1.00 0.00 N ATOM 189 NH2 ARG A 74 -1.362 -10.359 -4.286 1.00 0.00 N ATOM 0 H ARG A 74 -6.334 -5.011 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.068 -6.839 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.365 -8.542 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.033 -7.840 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.742 -9.909 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.700 -8.525 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.057 -8.744 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.734 -10.359 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.940 -8.281 -6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.246 -8.421 -6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.773 -9.508 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.295 -10.712 -4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.555 -10.706 -3.768 1.00 0.00 H new ATOM 203 N SER A 75 -4.238 -5.286 -7.984 1.00 0.00 N ATOM 204 CA SER A 75 -3.431 -4.101 -8.310 1.00 0.00 C ATOM 205 C SER A 75 -1.922 -4.370 -8.428 1.00 0.00 C ATOM 206 O SER A 75 -1.131 -3.745 -7.732 1.00 0.00 O ATOM 207 CB SER A 75 -3.751 -2.981 -7.303 1.00 0.00 C ATOM 208 OG SER A 75 -5.156 -2.802 -7.185 1.00 0.00 O ATOM 0 H SER A 75 -4.971 -5.474 -8.667 1.00 0.00 H new ATOM 0 HA SER A 75 -3.713 -3.783 -9.313 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.327 -3.228 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.286 -2.050 -7.626 1.00 0.00 H new ATOM 0 HG SER A 75 -5.465 -2.176 -7.873 1.00 0.00 H new HETATM 214 N OUD A 76 -1.534 -5.450 -9.133 1.00 0.00 N HETATM 215 CA OUD A 76 -0.157 -5.966 -9.164 1.00 0.00 C HETATM 216 C OUD A 76 1.200 -2.991 -9.435 1.00 0.00 C HETATM 217 O OUD A 76 2.388 -3.146 -9.183 1.00 0.00 O HETATM 218 CB OUD A 76 -0.179 -7.506 -9.297 1.00 0.00 C HETATM 219 CG OUD A 76 1.138 -8.130 -8.905 1.00 0.00 C HETATM 220 OD1 OUD A 76 1.314 -8.388 -7.735 1.00 0.00 O HETATM 221 OD2 OUD A 76 1.975 -8.327 -9.758 1.00 0.00 O HETATM 222 CM OUD A 76 0.703 -5.318 -10.284 1.00 0.00 C HETATM 223 N2 OUD A 76 0.606 -3.856 -10.366 1.00 0.00 N HETATM 231 N OUE A 77 0.706 -1.682 -9.579 1.00 0.00 N HETATM 232 CA OUE A 77 1.146 -0.543 -8.760 1.00 0.00 C HETATM 233 C OUE A 77 -0.400 -1.100 -5.731 1.00 0.00 C HETATM 234 O OUE A 77 0.622 -0.625 -5.257 1.00 0.00 O HETATM 235 CB OUE A 77 1.813 0.516 -9.668 1.00 0.00 C HETATM 236 CG OUE A 77 2.210 1.822 -8.939 1.00 0.00 C HETATM 237 CD OUE A 77 3.106 2.726 -9.762 1.00 0.00 C HETATM 238 OE1 OUE A 77 3.242 2.504 -10.948 1.00 0.00 O HETATM 239 OE2 OUE A 77 3.764 3.540 -9.157 1.00 0.00 O HETATM 240 CM OUE A 77 -0.022 0.067 -7.947 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.695 -0.917 -7.095 1.00 0.00 N HETATM 251 N OUK A 78 -0.910 -2.320 -5.243 1.00 0.00 N HETATM 252 CA OUK A 78 -0.198 -3.199 -4.303 1.00 0.00 C HETATM 253 C OUK A 78 2.875 -2.930 -5.482 1.00 0.00 C HETATM 254 O OUK A 78 3.468 -3.410 -4.524 1.00 0.00 O HETATM 255 CB OUK A 78 -1.217 -4.023 -3.479 1.00 0.00 C HETATM 256 CG OUK A 78 -2.023 -3.177 -2.464 1.00 0.00 C HETATM 257 CD OUK A 78 -3.165 -4.024 -1.854 1.00 0.00 C HETATM 258 CE OUK A 78 -3.702 -3.438 -0.534 1.00 0.00 C HETATM 259 NZ OUK A 78 -4.255 -2.043 -0.607 1.00 0.00 N HETATM 260 CM OUK A 78 0.732 -4.193 -5.046 1.00 0.00 C HETATM 261 N2 OUK A 78 1.701 -3.553 -5.943 1.00 0.00 N HETATM 278 N OUR A 79 3.607 -2.327 -6.522 1.00 0.00 N HETATM 279 CA OUR A 79 4.895 -1.645 -6.330 1.00 0.00 C HETATM 280 C OUR A 79 3.477 1.680 -5.164 1.00 0.00 C HETATM 281 O OUR A 79 4.417 2.150 -4.538 1.00 0.00 O HETATM 282 CB OUR A 79 5.955 -2.083 -7.373 1.00 0.00 C HETATM 283 CG OUR A 79 6.266 -3.600 -7.390 1.00 0.00 C HETATM 284 CD OUR A 79 5.246 -4.382 -8.244 1.00 0.00 C HETATM 285 NE OUR A 79 5.625 -5.788 -8.387 1.00 0.00 N HETATM 286 CZ OUR A 79 4.744 -6.794 -8.461 1.00 0.00 C HETATM 287 NH1 OUR A 79 4.819 -7.669 -9.467 1.00 0.00 N HETATM 288 NH2 OUR A 79 3.698 -6.848 -7.630 1.00 0.00 N HETATM 289 CM OUR A 79 4.717 -0.112 -6.405 1.00 0.00 C HETATM 290 N2 OUR A 79 3.575 0.355 -5.615 1.00 0.00 N HETATM 307 N OUH A 80 2.152 2.002 -4.809 1.00 0.00 N HETATM 308 CA OUH A 80 1.779 2.465 -3.464 1.00 0.00 C HETATM 309 C OUH A 80 2.789 -0.287 -1.620 1.00 0.00 C HETATM 310 O OUH A 80 2.411 -0.172 -0.462 1.00 0.00 O HETATM 311 CB OUH A 80 0.893 3.741 -3.558 1.00 0.00 C HETATM 312 CG OUH A 80 -0.422 3.660 -2.834 1.00 0.00 C HETATM 313 CD2 OUH A 80 -0.595 3.934 -1.434 1.00 0.00 C HETATM 314 ND1 OUH A 80 -1.681 3.366 -3.267 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.559 3.466 -2.218 1.00 0.00 C HETATM 316 NE2 OUH A 80 -1.901 3.776 -1.124 1.00 0.00 N HETATM 317 CM OUH A 80 1.133 1.318 -2.643 1.00 0.00 C HETATM 318 N2 OUH A 80 1.919 0.079 -2.660 1.00 0.00 N HETATM 329 N OUK A 81 3.601 -1.383 -1.963 1.00 0.00 N HETATM 330 CA OUK A 81 4.872 -1.620 -1.266 1.00 0.00 C HETATM 331 C OUK A 81 6.570 1.226 -1.717 1.00 0.00 C HETATM 332 O OUK A 81 6.704 1.026 -0.515 1.00 0.00 O HETATM 333 CB OUK A 81 5.034 -3.097 -0.837 1.00 0.00 C HETATM 334 CG OUK A 81 3.896 -3.578 0.094 1.00 0.00 C HETATM 335 CD OUK A 81 4.222 -4.971 0.672 1.00 0.00 C HETATM 336 CE OUK A 81 3.054 -5.516 1.517 1.00 0.00 C HETATM 337 NZ OUK A 81 3.359 -6.820 2.204 1.00 0.00 N HETATM 338 CM OUK A 81 6.067 -1.208 -2.157 1.00 0.00 C HETATM 339 N2 OUK A 81 6.038 0.209 -2.530 1.00 0.00 N HETATM 356 N OUI A 82 6.344 2.521 -2.223 1.00 0.00 N HETATM 357 CA OUI A 82 6.342 3.738 -1.395 1.00 0.00 C HETATM 358 C OUI A 82 3.486 3.446 0.572 1.00 0.00 C HETATM 359 O OUI A 82 2.449 4.075 0.707 1.00 0.00 O HETATM 360 CB OUI A 82 7.361 4.802 -1.896 1.00 0.00 C HETATM 361 CG1 OUI A 82 6.990 5.414 -3.279 1.00 0.00 C HETATM 362 CG2 OUI A 82 8.792 4.205 -1.908 1.00 0.00 C HETATM 363 CD1 OUI A 82 7.927 6.569 -3.695 1.00 0.00 C HETATM 364 CM OUI A 82 4.909 4.308 -1.268 1.00 0.00 C HETATM 365 N2 OUI A 82 3.982 3.310 -0.730 1.00 0.00 N HETATM 380 N OUH A 83 3.615 2.249 1.288 1.00 0.00 N HETATM 381 CA OUH A 83 3.712 2.271 2.752 1.00 0.00 C HETATM 382 C OUH A 83 7.244 0.864 3.020 1.00 0.00 C HETATM 383 O OUH A 83 7.437 0.687 4.217 1.00 0.00 O HETATM 384 CB OUH A 83 2.914 1.105 3.384 1.00 0.00 C HETATM 385 CG OUH A 83 1.475 1.060 2.934 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.646 2.207 2.659 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.688 0.003 2.587 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.518 0.460 2.124 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.533 1.774 2.157 1.00 0.00 N HETATM 390 CM OUH A 83 5.185 2.263 3.212 1.00 0.00 C HETATM 391 N2 OUH A 83 5.966 1.207 2.562 1.00 0.00 N ATOM 402 N ARG A 84 7.960 0.098 2.081 1.00 0.00 N ATOM 403 CA ARG A 84 9.296 -0.443 2.382 1.00 0.00 C ATOM 404 C ARG A 84 10.351 0.650 2.596 1.00 0.00 C ATOM 405 O ARG A 84 11.139 0.549 3.532 1.00 0.00 O ATOM 406 CB ARG A 84 9.703 -1.420 1.266 1.00 0.00 C ATOM 407 CG ARG A 84 10.974 -2.189 1.647 1.00 0.00 C ATOM 408 CD ARG A 84 11.280 -3.325 0.666 1.00 0.00 C ATOM 409 NE ARG A 84 12.397 -4.132 1.174 1.00 0.00 N ATOM 410 CZ ARG A 84 12.718 -5.359 0.822 1.00 0.00 C ATOM 411 NH1 ARG A 84 13.744 -5.950 1.355 1.00 0.00 N ATOM 412 NH2 ARG A 84 12.056 -6.052 -0.057 1.00 0.00 N ATOM 0 H ARG A 84 7.613 -0.131 1.150 1.00 0.00 H new ATOM 0 HA ARG A 84 9.242 -0.977 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.891 -2.122 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.870 -0.871 0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.818 -1.500 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.861 -2.599 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.398 -3.951 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.530 -2.915 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 84 12.990 -3.693 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.308 -5.463 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.986 -6.901 1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.239 -5.648 -0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.354 -7.000 -0.289 1.00 0.00 H new ATOM 426 N LYS A 85 10.168 1.794 1.935 1.00 0.00 N ATOM 427 CA LYS A 85 10.656 3.121 2.343 1.00 0.00 C ATOM 428 C LYS A 85 9.555 4.139 2.034 1.00 0.00 C ATOM 429 O LYS A 85 8.464 3.726 1.635 1.00 0.00 O ATOM 430 CB LYS A 85 11.983 3.479 1.644 1.00 0.00 C ATOM 431 CG LYS A 85 13.146 2.622 2.174 1.00 0.00 C ATOM 432 CD LYS A 85 14.530 3.088 1.710 1.00 0.00 C ATOM 433 CE LYS A 85 14.901 4.445 2.315 1.00 0.00 C ATOM 434 NZ LYS A 85 16.328 4.739 2.065 1.00 0.00 N ATOM 0 H LYS A 85 9.650 1.827 1.057 1.00 0.00 H new ATOM 0 HA LYS A 85 10.874 3.126 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.881 3.332 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.206 4.534 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.119 2.627 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.997 1.590 1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.278 2.347 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.545 3.158 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.279 5.228 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.705 4.440 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.562 5.677 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.917 4.018 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.510 4.730 1.041 1.00 0.00 H new ATOM 448 N ASP A 86 9.767 5.395 2.414 1.00 0.00 N ATOM 449 CA ASP A 86 8.842 6.479 2.048 1.00 0.00 C ATOM 450 C ASP A 86 9.050 7.001 0.615 1.00 0.00 C ATOM 451 O ASP A 86 10.107 6.713 0.023 1.00 0.00 O ATOM 452 CB ASP A 86 8.953 7.623 3.069 1.00 0.00 C ATOM 453 CG ASP A 86 7.589 8.259 3.383 1.00 0.00 C ATOM 454 OD1 ASP A 86 7.611 9.508 3.497 1.00 0.00 O ATOM 455 OD2 ASP A 86 6.816 7.583 4.109 1.00 0.00 O ATOM 456 OXT ASP A 86 8.163 7.750 0.148 1.00 0.00 O ATOM 0 H ASP A 86 10.566 5.694 2.973 1.00 0.00 H new ATOM 0 HA ASP A 86 7.835 6.062 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.395 7.243 3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.628 8.387 2.683 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.393 2.882 1.106 1.00 0.00 ZN HETATM 463 O HOH A 201 5.856 8.620 -0.428 1.00 0.00 O HETATM 466 O HOH A 202 2.155 -5.224 7.726 1.00 0.00 O HETATM 469 O HOH A 203 8.250 10.880 5.562 1.00 0.00 O HETATM 472 O HOH A 204 7.461 11.026 1.413 1.00 0.00 O HETATM 475 O HOH A 205 7.875 6.372 6.155 1.00 0.00 O HETATM 478 O HOH A 206 -2.063 -5.758 10.478 1.00 0.00 O HETATM 481 O HOH A 207 11.941 1.290 5.932 1.00 0.00 O HETATM 484 O HOH A 208 4.773 0.519 -11.769 1.00 0.00 O HETATM 487 O HOH A 209 -2.450 -7.508 7.849 1.00 0.00 O HETATM 490 O HOH A 210 8.788 10.120 -0.856 1.00 0.00 O HETATM 493 O HOH A 211 -4.943 4.765 8.511 1.00 0.00 O HETATM 496 O HOH A 212 5.882 1.950 -9.299 1.00 0.00 O HETATM 499 O HOH A 213 4.340 6.619 3.972 1.00 0.00 O HETATM 502 O HOH A 214 2.897 -10.593 -8.681 1.00 0.00 O HETATM 505 O HOH A 215 -4.220 -0.239 10.404 1.00 0.00 O HETATM 508 O HOH A 216 -5.606 -1.534 -9.506 1.00 0.00 O HETATM 511 O HOH A 217 3.529 6.132 -9.830 1.00 0.00 O HETATM 514 O HOH A 218 -11.507 -8.537 2.268 1.00 0.00 O HETATM 517 O HOH A 219 -1.174 -7.163 5.453 1.00 0.00 O HETATM 520 O HOH A 220 -8.938 5.026 4.491 1.00 0.00 O HETATM 523 O HOH A 221 -1.381 4.336 1.499 1.00 0.00 O HETATM 526 O HOH A 222 -12.186 -0.604 6.685 1.00 0.00 O HETATM 529 O HOH A 223 -12.835 3.115 -4.636 1.00 0.00 O HETATM 532 O HOH A 224 -14.530 -4.010 5.906 1.00 0.00 O HETATM 535 O HOH A 225 17.168 4.965 -0.627 1.00 0.00 O HETATM 538 O HOH A 226 -12.246 -11.084 -4.228 1.00 0.00 O HETATM 541 O HOH A 227 -12.098 -11.492 -0.337 1.00 0.00 O HETATM 544 O HOH A 228 17.820 2.786 3.524 1.00 0.00 O HETATM 547 O HOH A 229 3.793 -8.687 0.083 1.00 0.00 O HETATM 550 O HOH A 230 3.881 -6.147 -3.796 1.00 0.00 O HETATM 553 O HOH A 231 -14.687 0.012 5.469 1.00 0.00 O HETATM 556 O HOH A 232 -17.414 -3.576 2.468 1.00 0.00 O HETATM 559 O HOH A 233 -12.315 6.888 -1.567 1.00 0.00 O HETATM 562 O HOH A 234 4.756 -5.449 4.307 1.00 0.00 O HETATM 565 O HOH A 235 13.550 -8.497 -0.309 1.00 0.00 O HETATM 568 O HOH A 236 1.450 -11.022 -3.791 1.00 0.00 O HETATM 571 O HOH A 237 -4.084 3.304 0.722 1.00 0.00 O HETATM 574 O HOH A 238 2.155 6.614 -0.676 1.00 0.00 O HETATM 577 O HOH A 239 9.654 -5.753 -1.707 1.00 0.00 O HETATM 580 O HOH A 240 -2.415 -13.026 -3.630 1.00 0.00 O HETATM 583 O HOH A 241 8.324 -6.041 -9.580 1.00 0.00 O HETATM 586 O HOH A 242 9.205 1.796 6.321 1.00 0.00 O HETATM 589 O HOH A 243 0.725 -7.273 3.493 1.00 0.00 O HETATM 592 O HOH A 244 -10.884 6.565 0.716 1.00 0.00 O HETATM 595 O HOH A 245 15.920 -6.605 3.275 1.00 0.00 O HETATM 598 O HOH A 246 -14.259 1.025 -2.057 1.00 0.00 O HETATM 601 O HOH A 247 7.587 -8.655 -10.398 1.00 0.00 O HETATM 604 O HOH A 248 3.304 -1.989 -11.909 1.00 0.00 O HETATM 607 O HOH A 249 15.056 -8.727 1.892 1.00 0.00 O HETATM 610 O HOH A 250 -1.022 -0.490 -11.909 1.00 0.00 O HETATM 613 O HOH A 251 -8.230 3.469 8.496 1.00 0.00 O HETATM 616 O HOH A 252 15.374 -3.173 0.553 1.00 0.00 O HETATM 619 O HOH A 253 2.105 -5.510 4.867 1.00 0.00 O HETATM 622 O HOH A 254 -1.186 -13.079 -6.057 1.00 0.00 O HETATM 625 O HOH A 255 -3.956 3.504 -5.628 1.00 0.00 O HETATM 628 O HOH A 256 5.575 -10.778 -8.685 1.00 0.00 O HETATM 631 O HOH A 257 7.208 -8.883 -7.549 1.00 0.00 O HETATM 634 O HOH A 258 13.532 -2.318 3.695 1.00 0.00 O HETATM 637 O HOH A 259 6.576 -7.060 2.935 1.00 0.00 O HETATM 640 O HOH A 260 -10.172 6.313 -3.096 1.00 0.00 O HETATM 643 O HOH A 261 -10.630 -11.143 1.913 1.00 0.00 O HETATM 646 O HOH A 262 -5.011 -3.572 10.165 1.00 0.00 O HETATM 649 O HOH A 263 -3.392 -8.000 -10.550 1.00 0.00 O HETATM 652 O HOH A 264 -10.328 4.172 -4.765 1.00 0.00 O HETATM 655 O HOH A 265 -12.125 -3.080 5.085 1.00 0.00 O HETATM 658 O HOH A 266 0.883 -1.888 -13.225 1.00 0.00 O HETATM 661 O HOH A 267 17.110 -5.000 1.456 1.00 0.00 O HETATM 664 O HOH A 268 -2.148 -6.468 -12.424 1.00 0.00 O HETATM 667 O HOH A 269 -16.367 -2.421 7.127 1.00 0.00 O HETATM 670 O HOH A 270 -14.895 5.089 0.268 1.00 0.00 O HETATM 673 O HOH A 271 10.784 10.384 4.751 1.00 0.00 O HETATM 676 O HOH A 272 0.068 -6.944 0.872 1.00 0.00 O HETATM 679 O HOH A 273 -5.907 -3.942 -10.844 1.00 0.00 O HETATM 682 O HOH A 274 -12.462 -3.541 -3.543 1.00 0.00 O HETATM 685 O HOH A 275 -10.874 -12.690 -2.500 1.00 0.00 O HETATM 688 O HOH A 276 -10.778 -2.369 8.140 1.00 0.00 O HETATM 691 O HOH A 277 12.812 6.327 4.209 1.00 0.00 O HETATM 694 O HOH A 278 13.919 -0.491 5.695 1.00 0.00 O HETATM 697 O HOH A 279 10.939 -4.585 4.529 1.00 0.00 O HETATM 700 O HOH A 280 -10.554 3.088 7.097 1.00 0.00 O HETATM 703 O HOH A 281 13.825 -1.794 -1.330 1.00 0.00 O HETATM 706 O HOH A 282 -0.760 6.986 -3.282 1.00 0.00 O HETATM 709 O HOH A 283 3.016 6.638 -7.182 1.00 0.00 O HETATM 712 O HOH A 284 -3.110 -12.157 -7.704 1.00 0.00 O HETATM 715 O HOH A 285 -1.687 0.647 11.049 1.00 0.00 O HETATM 718 O HOH A 286 7.048 3.208 -7.061 1.00 0.00 O HETATM 721 O HOH A 287 -0.405 7.222 -0.514 1.00 0.00 O HETATM 724 O HOH A 288 6.773 9.885 -2.682 1.00 0.00 O HETATM 727 O HOH A 289 2.104 5.028 4.386 1.00 0.00 O HETATM 730 O HOH A 290 -9.912 -0.695 -6.887 1.00 0.00 O HETATM 733 O HOH A 291 19.726 4.796 0.253 1.00 0.00 O HETATM 736 O HOH A 292 0.264 -7.505 -13.120 1.00 0.00 O HETATM 739 O HOH A 293 13.230 -5.853 5.205 1.00 0.00 O HETATM 742 O HOH A 294 -4.796 -6.211 10.722 1.00 0.00 O HETATM 745 O HOH A 295 9.525 -2.490 5.462 1.00 0.00 O HETATM 748 O HOH A 296 -17.276 0.150 6.195 1.00 0.00 O HETATM 751 O HOH A 297 -7.234 7.107 4.845 1.00 0.00 O HETATM 754 O HOH A 298 -2.627 5.737 -6.308 1.00 0.00 O HETATM 757 O HOH A 299 -0.567 -11.184 -10.852 1.00 0.00 O HETATM 760 O HOH A 300 6.994 -7.681 -12.840 1.00 0.00 O HETATM 763 O HOH A 301 6.375 -9.433 1.664 1.00 0.00 O HETATM 766 O HOH A 302 -14.605 -9.692 -5.040 1.00 0.00 O HETATM 769 O HOH A 303 -5.251 6.598 6.529 1.00 0.00 O HETATM 772 O HOH A 304 -15.676 2.441 -0.218 1.00 0.00 O HETATM 775 O HOH A 305 -3.338 7.009 -3.937 1.00 0.00 O HETATM 778 O HOH A 306 -7.992 -10.716 2.428 1.00 0.00 O HETATM 781 O HOH A 307 -8.177 6.884 0.906 1.00 0.00 O HETATM 784 O HOH A 308 5.838 -2.881 -11.501 1.00 0.00 O HETATM 787 O HOH A 309 3.520 -10.943 1.546 1.00 0.00 O HETATM 790 O HOH A 310 -0.896 -4.398 0.818 1.00 0.00 O HETATM 793 O HOH A 311 7.640 -4.971 -11.976 1.00 0.00 O HETATM 796 O HOH A 312 -16.046 -5.963 2.002 1.00 0.00 O HETATM 799 O HOH A 313 9.797 -0.636 7.443 1.00 0.00 O HETATM 802 O HOH A 314 -3.269 -0.571 -10.420 1.00 0.00 O HETATM 805 O HOH A 315 7.648 3.842 7.004 1.00 0.00 O HETATM 808 O HOH A 316 -11.790 3.395 4.691 1.00 0.00 O HETATM 811 O HOH A 317 -6.119 6.050 2.559 1.00 0.00 O HETATM 814 O HOH A 318 -5.457 5.164 -4.144 1.00 0.00 O HETATM 817 O HOH A 319 -9.219 -4.195 6.944 1.00 0.00 O HETATM 820 O HOH A 320 -5.980 -7.521 -11.207 1.00 0.00 O HETATM 823 O HOH A 321 -15.003 7.477 -1.281 1.00 0.00 O HETATM 826 O HOH A 322 7.654 -7.778 -5.063 1.00 0.00 O HETATM 829 O HOH A 323 20.445 6.174 2.456 1.00 0.00 O HETATM 832 O HOH A 324 -16.065 -10.265 -1.181 1.00 0.00 O HETATM 835 O HOH A 325 -2.851 1.982 -9.595 1.00 0.00 O HETATM 838 O HOH A 326 -0.706 -4.019 12.068 1.00 0.00 O HETATM 841 O HOH A 327 12.149 -5.316 -4.420 1.00 0.00 O HETATM 844 O HOH A 328 -13.469 -6.711 2.380 1.00 0.00 O HETATM 847 O HOH A 329 -16.117 -8.354 -3.121 1.00 0.00 O HETATM 850 O HOH A 330 1.178 6.565 -11.143 1.00 0.00 O HETATM 853 O HOH A 331 7.445 -6.334 0.479 1.00 0.00 O HETATM 856 O HOH A 332 -3.129 -10.651 -9.959 1.00 0.00 O HETATM 859 O HOH A 333 -2.192 -13.241 -0.917 1.00 0.00 O HETATM 862 O HOH A 334 -4.451 -8.523 6.387 1.00 0.00 O HETATM 865 O HOH A 335 15.591 -1.079 2.305 1.00 0.00 O HETATM 868 O HOH A 336 13.905 -3.517 -3.373 1.00 0.00 O HETATM 871 O HOH A 337 8.822 -2.399 -5.046 1.00 0.00 O HETATM 874 O HOH A 338 9.129 -8.241 -2.802 1.00 0.00 O HETATM 877 O HOH A 339 -11.122 6.003 3.362 1.00 0.00 O HETATM 880 O HOH A 340 -1.008 -9.373 0.189 1.00 0.00 O HETATM 883 O HOH A 341 -10.001 -7.951 4.481 1.00 0.00 O HETATM 886 O HOH A 342 -19.427 -4.168 4.105 1.00 0.00 O HETATM 889 O HOH A 343 0.027 -1.430 11.584 1.00 0.00 O HETATM 892 O HOH A 344 12.217 0.359 -1.944 1.00 0.00 O HETATM 895 O HOH A 345 -14.129 2.230 4.103 1.00 0.00 O HETATM 898 O HOH A 346 4.014 7.698 -2.282 1.00 0.00 O HETATM 901 O HOH A 347 -12.533 -9.340 -6.694 1.00 0.00 O HETATM 904 O HOH A 348 -14.710 -11.682 0.735 1.00 0.00 O HETATM 907 O HOH A 349 -11.168 -7.455 -8.126 1.00 0.00 O HETATM 910 O HOH A 350 -13.377 -6.373 5.115 1.00 0.00 O HETATM 913 O HOH A 351 10.213 -4.935 -7.789 1.00 0.00 O HETATM 916 O HOH A 352 -18.720 -3.703 6.651 1.00 0.00 O HETATM 919 O HOH A 353 10.549 -0.754 -3.773 1.00 0.00 O HETATM 922 O HOH A 354 0.842 -10.861 1.658 1.00 0.00 O HETATM 925 O HOH A 355 0.268 2.568 10.750 1.00 0.00 O HETATM 928 O HOH A 356 -13.300 -10.700 2.780 1.00 0.00 O HETATM 931 O HOH A 357 -11.297 -2.205 -8.713 1.00 0.00 O HETATM 934 O HOH A 358 -8.083 -11.032 -7.403 1.00 0.00 O HETATM 937 O HOH A 359 -11.921 -4.836 -8.589 1.00 0.00 O HETATM 940 O HOH A 360 -4.681 -14.025 -4.590 1.00 0.00 O HETATM 943 O HOH A 361 17.801 0.158 3.298 1.00 0.00 O HETATM 946 O HOH A 362 4.633 -4.466 6.812 1.00 0.00 O HETATM 949 O HOH A 363 7.229 -0.482 -11.810 1.00 0.00 O HETATM 952 O HOH A 364 0.578 0.405 -14.703 1.00 0.00 O HETATM 955 O HOH A 365 14.850 0.283 0.075 1.00 0.00 O HETATM 958 O HOH A 366 5.659 -8.105 -3.108 1.00 0.00 O HETATM 961 O HOH A 367 9.474 -5.019 -5.114 1.00 0.00 O HETATM 964 O HOH A 368 -19.488 -0.625 1.396 1.00 0.00 O HETATM 967 O HOH A 369 -10.746 -11.490 -6.581 1.00 0.00 O HETATM 970 O HOH A 370 5.456 7.781 -6.688 1.00 0.00 O HETATM 973 O HOH A 371 -7.955 -5.660 -11.597 1.00 0.00 O HETATM 976 O HOH A 372 1.861 7.147 -4.121 1.00 0.00 O HETATM 979 O HOH A 373 7.094 -8.682 -0.924 1.00 0.00 O HETATM 982 O HOH A 374 -17.780 1.606 1.359 1.00 0.00 O HETATM 985 O HOH A 375 9.036 -0.153 -6.809 1.00 0.00 O HETATM 988 O HOH A 376 -15.618 -1.430 -1.400 1.00 0.00 O HETATM 991 O HOH A 377 -5.052 2.463 -7.945 1.00 0.00 O HETATM 994 O HOH A 378 7.909 0.186 -9.185 1.00 0.00 O HETATM 997 O HOH A 379 8.716 -6.199 4.484 1.00 0.00 O HETATM 1000 O HOH A 380 -10.845 -5.506 5.290 1.00 0.00 O HETATM 1003 O HOH A 381 -3.002 -9.056 4.118 1.00 0.00 O HETATM 1006 O HOH A 382 -8.491 -13.292 -3.548 1.00 0.00 O HETATM 1009 O HOH A 383 -14.928 -4.004 -2.482 1.00 0.00 O HETATM 1012 O HOH A 384 9.927 -2.332 -8.310 1.00 0.00 O HETATM 1015 O HOH A 385 -7.763 4.723 -5.616 1.00 0.00 O HETATM 1018 O HOH A 386 -6.060 -11.428 -9.324 1.00 0.00 O HETATM 1021 O HOH A 387 4.930 9.198 -4.427 1.00 0.00 O HETATM 1024 O HOH A 388 -8.792 1.714 -7.598 1.00 0.00 O HETATM 1027 O HOH A 389 12.835 2.612 -3.225 1.00 0.00 O HETATM 1030 O HOH A 390 -10.476 -5.969 -10.613 1.00 0.00 O HETATM 1033 O HOH A 391 1.199 6.337 6.626 1.00 0.00 O HETATM 1036 O HOH A 392 -6.821 -12.755 -5.600 1.00 0.00 O HETATM 1039 O HOH A 393 -16.722 -5.743 -3.422 1.00 0.00 O HETATM 1042 O HOH A 394 -5.819 -12.292 2.708 1.00 0.00 O HETATM 1045 O HOH A 395 -2.150 -10.729 2.176 1.00 0.00 O HETATM 1048 O HOH A 396 4.215 0.149 9.947 1.00 0.00 O HETATM 1051 O HOH A 397 -3.515 -13.142 1.471 1.00 0.00 O HETATM 1054 O HOH A 398 2.771 -1.393 11.786 1.00 0.00 O HETATM 1057 O HOH A 399 2.981 2.423 10.920 1.00 0.00 O