USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 631 hydrogens (496 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 65 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 68 CYS SG : rot 85:sc= -0.687! USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.888) USER MOD Single : A 75 SER OG : rot 134:sc= 2.39 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -12.153 -8.785 -3.488 1.00 0.00 N ATOM 2 CA PRO A 62 -11.251 -7.633 -3.226 1.00 0.00 C ATOM 3 C PRO A 62 -10.591 -7.797 -1.850 1.00 0.00 C ATOM 4 O PRO A 62 -10.981 -8.682 -1.091 1.00 0.00 O ATOM 5 CB PRO A 62 -12.123 -6.368 -3.284 1.00 0.00 C ATOM 6 CG PRO A 62 -13.461 -6.893 -2.770 1.00 0.00 C ATOM 7 CD PRO A 62 -13.524 -8.237 -3.479 1.00 0.00 C ATOM 0 HA PRO A 62 -10.449 -7.569 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.728 -5.569 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.200 -5.970 -4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.476 -6.996 -1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.293 -6.243 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.206 -8.913 -2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.899 -8.119 -4.496 1.00 0.00 H new ATOM 15 N PHE A 63 -9.689 -6.885 -1.491 1.00 0.00 N ATOM 16 CA PHE A 63 -8.910 -6.928 -0.249 1.00 0.00 C ATOM 17 C PHE A 63 -8.901 -5.556 0.447 1.00 0.00 C ATOM 18 O PHE A 63 -9.643 -4.651 0.061 1.00 0.00 O ATOM 19 CB PHE A 63 -7.495 -7.434 -0.593 1.00 0.00 C ATOM 20 CG PHE A 63 -7.477 -8.699 -1.435 1.00 0.00 C ATOM 21 CD1 PHE A 63 -6.915 -8.689 -2.726 1.00 0.00 C ATOM 22 CD2 PHE A 63 -8.065 -9.881 -0.945 1.00 0.00 C ATOM 23 CE1 PHE A 63 -6.935 -9.851 -3.517 1.00 0.00 C ATOM 24 CE2 PHE A 63 -8.095 -11.040 -1.740 1.00 0.00 C ATOM 25 CZ PHE A 63 -7.523 -11.029 -3.024 1.00 0.00 C ATOM 0 H PHE A 63 -9.472 -6.073 -2.069 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.364 -7.614 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.959 -6.648 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.952 -7.619 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.467 -7.785 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.495 -9.897 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.498 -9.839 -4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.558 -11.940 -1.364 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.535 -11.923 -3.630 1.00 0.00 H new ATOM 35 N ALA A 64 -8.012 -5.369 1.421 1.00 0.00 N ATOM 36 CA ALA A 64 -7.729 -4.087 2.064 1.00 0.00 C ATOM 37 C ALA A 64 -6.229 -3.934 2.360 1.00 0.00 C ATOM 38 O ALA A 64 -5.447 -4.865 2.140 1.00 0.00 O ATOM 39 CB ALA A 64 -8.575 -3.977 3.340 1.00 0.00 C ATOM 0 H ALA A 64 -7.450 -6.132 1.797 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.996 -3.273 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.373 -3.024 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.632 -4.035 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.321 -4.793 4.016 1.00 0.00 H new ATOM 45 N CYS A 65 -5.785 -2.709 2.639 1.00 0.00 N ATOM 46 CA CYS A 65 -4.516 -2.467 3.332 1.00 0.00 C ATOM 47 C CYS A 65 -4.728 -2.576 4.848 1.00 0.00 C ATOM 48 O CYS A 65 -5.623 -1.909 5.361 1.00 0.00 O ATOM 49 CB CYS A 65 -4.008 -1.063 2.971 1.00 0.00 C ATOM 50 SG CYS A 65 -4.008 -0.742 1.182 1.00 0.00 S ATOM 0 H CYS A 65 -6.291 -1.858 2.393 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.779 -3.209 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.631 -0.319 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.996 -0.939 3.356 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.569 0.461 0.957 1.00 0.00 H new ATOM 55 N ASP A 66 -3.727 -3.088 5.567 1.00 0.00 N ATOM 56 CA ASP A 66 -3.578 -2.817 7.015 1.00 0.00 C ATOM 57 C ASP A 66 -3.273 -1.328 7.269 1.00 0.00 C ATOM 58 O ASP A 66 -4.023 -0.631 7.948 1.00 0.00 O ATOM 59 CB ASP A 66 -2.459 -3.701 7.600 1.00 0.00 C ATOM 60 CG ASP A 66 -2.787 -5.191 7.452 1.00 0.00 C ATOM 61 OD1 ASP A 66 -1.912 -5.964 6.999 1.00 0.00 O ATOM 62 OD2 ASP A 66 -3.891 -5.570 7.917 1.00 0.00 O ATOM 0 H ASP A 66 -3.003 -3.693 5.179 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.519 -3.057 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.519 -3.482 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.317 -3.461 8.654 1.00 0.00 H new ATOM 67 N ILE A 67 -2.315 -0.793 6.506 1.00 0.00 N ATOM 68 CA ILE A 67 -1.735 0.542 6.707 1.00 0.00 C ATOM 69 C ILE A 67 -2.631 1.715 6.247 1.00 0.00 C ATOM 70 O ILE A 67 -2.510 2.799 6.819 1.00 0.00 O ATOM 71 CB ILE A 67 -0.325 0.577 6.061 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.627 -0.498 6.648 1.00 0.00 C ATOM 73 CG2 ILE A 67 0.356 1.956 6.139 1.00 0.00 C ATOM 74 CD1 ILE A 67 0.945 -0.376 8.147 1.00 0.00 C ATOM 0 H ILE A 67 -1.910 -1.287 5.711 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.652 0.703 7.782 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.508 0.353 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.187 -1.479 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.565 -0.464 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.337 1.904 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.257 2.694 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.470 2.247 7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.618 -1.181 8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.421 0.585 8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.021 -0.446 8.722 1.00 0.00 H new ATOM 86 N CYS A 68 -3.625 1.486 5.372 1.00 0.00 N ATOM 87 CA CYS A 68 -4.721 2.444 5.135 1.00 0.00 C ATOM 88 C CYS A 68 -6.035 2.093 5.878 1.00 0.00 C ATOM 89 O CYS A 68 -7.016 2.828 5.753 1.00 0.00 O ATOM 90 CB CYS A 68 -4.996 2.580 3.624 1.00 0.00 C ATOM 91 SG CYS A 68 -3.728 3.557 2.782 1.00 0.00 S ATOM 0 H CYS A 68 -3.692 0.637 4.811 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.379 3.394 5.545 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.045 1.588 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.970 3.046 3.475 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.728 2.789 2.464 1.00 0.00 H new ATOM 96 N GLY A 69 -6.186 0.835 6.310 1.00 0.00 N ATOM 97 CA GLY A 69 -7.452 0.232 6.763 1.00 0.00 C ATOM 98 C GLY A 69 -8.499 -0.029 5.671 1.00 0.00 C ATOM 99 O GLY A 69 -9.582 -0.548 5.965 1.00 0.00 O ATOM 0 H GLY A 69 -5.403 0.183 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.226 -0.714 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.895 0.885 7.515 1.00 0.00 H new ATOM 103 N ARG A 70 -8.267 0.463 4.448 1.00 0.00 N ATOM 104 CA ARG A 70 -9.294 0.716 3.419 1.00 0.00 C ATOM 105 C ARG A 70 -9.204 -0.243 2.226 1.00 0.00 C ATOM 106 O ARG A 70 -8.165 -0.862 1.991 1.00 0.00 O ATOM 107 CB ARG A 70 -9.225 2.204 3.021 1.00 0.00 C ATOM 108 CG ARG A 70 -9.855 3.066 4.128 1.00 0.00 C ATOM 109 CD ARG A 70 -9.631 4.570 3.953 1.00 0.00 C ATOM 110 NE ARG A 70 -10.274 5.284 5.070 1.00 0.00 N ATOM 111 CZ ARG A 70 -11.180 6.241 5.016 1.00 0.00 C ATOM 112 NH1 ARG A 70 -11.501 6.869 3.924 1.00 0.00 N ATOM 113 NH2 ARG A 70 -11.773 6.600 6.109 1.00 0.00 N ATOM 0 H ARG A 70 -7.328 0.706 4.132 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.279 0.509 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.188 2.500 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.750 2.363 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.927 2.871 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.446 2.758 5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.564 4.791 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.047 4.905 3.003 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.981 5.002 6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.043 6.630 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.211 7.601 3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.537 6.145 6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.477 7.338 6.089 1.00 0.00 H new ATOM 127 N LYS A 71 -10.356 -0.505 1.592 1.00 0.00 N ATOM 128 CA LYS A 71 -10.531 -1.593 0.609 1.00 0.00 C ATOM 129 C LYS A 71 -9.946 -1.250 -0.769 1.00 0.00 C ATOM 130 O LYS A 71 -10.197 -0.164 -1.291 1.00 0.00 O ATOM 131 CB LYS A 71 -12.006 -2.022 0.510 1.00 0.00 C ATOM 132 CG LYS A 71 -12.527 -2.601 1.841 1.00 0.00 C ATOM 133 CD LYS A 71 -13.937 -3.207 1.732 1.00 0.00 C ATOM 134 CE LYS A 71 -13.926 -4.545 0.971 1.00 0.00 C ATOM 135 NZ LYS A 71 -15.282 -5.145 0.853 1.00 0.00 N ATOM 0 H LYS A 71 -11.206 0.038 1.747 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.958 -2.444 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.615 -1.164 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.115 -2.767 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.836 -3.368 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.535 -1.812 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.345 -3.360 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.596 -2.504 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.513 -4.389 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.266 -5.245 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.196 -6.154 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.787 -5.042 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.813 -4.659 0.102 1.00 0.00 H new ATOM 149 N PHE A 72 -9.397 -2.253 -1.459 1.00 0.00 N ATOM 150 CA PHE A 72 -8.790 -2.124 -2.795 1.00 0.00 C ATOM 151 C PHE A 72 -8.861 -3.433 -3.611 1.00 0.00 C ATOM 152 O PHE A 72 -9.155 -4.495 -3.058 1.00 0.00 O ATOM 153 CB PHE A 72 -7.340 -1.623 -2.633 1.00 0.00 C ATOM 154 CG PHE A 72 -6.861 -0.709 -3.745 1.00 0.00 C ATOM 155 CD1 PHE A 72 -5.714 -1.028 -4.499 1.00 0.00 C ATOM 156 CD2 PHE A 72 -7.523 0.514 -3.973 1.00 0.00 C ATOM 157 CE1 PHE A 72 -5.235 -0.124 -5.465 1.00 0.00 C ATOM 158 CE2 PHE A 72 -7.060 1.400 -4.963 1.00 0.00 C ATOM 159 CZ PHE A 72 -5.914 1.081 -5.708 1.00 0.00 C ATOM 0 H PHE A 72 -9.359 -3.206 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 72 -9.364 -1.397 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.256 -1.094 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.675 -2.485 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.203 -1.965 -4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.391 0.773 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.340 -0.358 -6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.586 2.325 -5.150 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.555 1.761 -6.467 1.00 0.00 H new ATOM 169 N ALA A 73 -8.620 -3.363 -4.924 1.00 0.00 N ATOM 170 CA ALA A 73 -8.807 -4.484 -5.851 1.00 0.00 C ATOM 171 C ALA A 73 -7.729 -5.592 -5.735 1.00 0.00 C ATOM 172 O ALA A 73 -7.986 -6.625 -5.116 1.00 0.00 O ATOM 173 CB ALA A 73 -8.953 -3.935 -7.276 1.00 0.00 C ATOM 0 H ALA A 73 -8.285 -2.514 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.726 -4.999 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.092 -4.762 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.816 -3.271 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.054 -3.381 -7.546 1.00 0.00 H new ATOM 179 N ARG A 74 -6.569 -5.410 -6.394 1.00 0.00 N ATOM 180 CA ARG A 74 -5.431 -6.356 -6.424 1.00 0.00 C ATOM 181 C ARG A 74 -4.118 -5.653 -6.782 1.00 0.00 C ATOM 182 O ARG A 74 -3.147 -5.781 -6.044 1.00 0.00 O ATOM 183 CB ARG A 74 -5.723 -7.493 -7.426 1.00 0.00 C ATOM 184 CG ARG A 74 -4.551 -8.482 -7.592 1.00 0.00 C ATOM 185 CD ARG A 74 -4.830 -9.466 -8.733 1.00 0.00 C ATOM 186 NE ARG A 74 -3.595 -10.158 -9.147 1.00 0.00 N ATOM 187 CZ ARG A 74 -3.158 -10.339 -10.379 1.00 0.00 C ATOM 188 NH1 ARG A 74 -3.745 -9.826 -11.419 1.00 0.00 N ATOM 189 NH2 ARG A 74 -2.112 -11.058 -10.631 1.00 0.00 N ATOM 0 H ARG A 74 -6.389 -4.569 -6.942 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.314 -6.775 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.606 -8.040 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.962 -7.059 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.631 -7.933 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.396 -9.030 -6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.572 -10.198 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.255 -8.932 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.015 -10.538 -8.399 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.582 -9.255 -11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.369 -9.995 -12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.602 -11.502 -9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.797 -11.181 -11.593 1.00 0.00 H new ATOM 203 N SER A 75 -4.095 -4.939 -7.912 1.00 0.00 N ATOM 204 CA SER A 75 -3.007 -4.033 -8.324 1.00 0.00 C ATOM 205 C SER A 75 -1.600 -4.633 -8.266 1.00 0.00 C ATOM 206 O SER A 75 -0.774 -4.205 -7.471 1.00 0.00 O ATOM 207 CB SER A 75 -3.107 -2.721 -7.539 1.00 0.00 C ATOM 208 OG SER A 75 -4.372 -2.125 -7.778 1.00 0.00 O ATOM 0 H SER A 75 -4.856 -4.974 -8.590 1.00 0.00 H new ATOM 0 HA SER A 75 -3.156 -3.841 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.978 -2.911 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.310 -2.042 -7.841 1.00 0.00 H new ATOM 0 HG SER A 75 -4.757 -1.823 -6.929 1.00 0.00 H new HETATM 214 N OUD A 76 -1.349 -5.729 -9.005 1.00 0.00 N HETATM 215 CA OUD A 76 -0.027 -6.388 -9.002 1.00 0.00 C HETATM 216 C OUD A 76 1.334 -3.349 -9.535 1.00 0.00 C HETATM 217 O OUD A 76 2.519 -3.429 -9.238 1.00 0.00 O HETATM 218 CB OUD A 76 -0.210 -7.917 -9.146 1.00 0.00 C HETATM 219 CG OUD A 76 1.018 -8.694 -8.713 1.00 0.00 C HETATM 220 OD1 OUD A 76 1.238 -8.800 -7.524 1.00 0.00 O HETATM 221 OD2 OUD A 76 1.589 -9.338 -9.563 1.00 0.00 O HETATM 222 CM OUD A 76 0.928 -5.801 -10.077 1.00 0.00 C HETATM 223 N2 OUD A 76 0.745 -4.358 -10.332 1.00 0.00 N HETATM 231 N OUE A 77 0.698 -2.089 -9.651 1.00 0.00 N HETATM 232 CA OUE A 77 1.200 -0.826 -9.060 1.00 0.00 C HETATM 233 C OUE A 77 -0.162 -1.561 -5.533 1.00 0.00 C HETATM 234 O OUE A 77 0.127 -0.669 -4.752 1.00 0.00 O HETATM 235 CB OUE A 77 1.002 0.317 -10.091 1.00 0.00 C HETATM 236 CG OUE A 77 1.347 1.744 -9.591 1.00 0.00 C HETATM 237 CD OUE A 77 2.783 1.926 -9.148 1.00 0.00 C HETATM 238 OE1 OUE A 77 3.667 1.489 -9.840 1.00 0.00 O HETATM 239 OE2 OUE A 77 2.975 2.631 -8.178 1.00 0.00 O HETATM 240 CM OUE A 77 0.491 -0.493 -7.722 1.00 0.00 C HETATM 241 N2 OUE A 77 0.452 -1.629 -6.796 1.00 0.00 N HETATM 251 N OUK A 78 -0.597 -2.809 -5.059 1.00 0.00 N HETATM 252 CA OUK A 78 0.092 -3.549 -3.993 1.00 0.00 C HETATM 253 C OUK A 78 3.168 -3.318 -5.344 1.00 0.00 C HETATM 254 O OUK A 78 3.802 -3.541 -4.317 1.00 0.00 O HETATM 255 CB OUK A 78 -0.951 -4.347 -3.171 1.00 0.00 C HETATM 256 CG OUK A 78 -1.923 -3.460 -2.358 1.00 0.00 C HETATM 257 CD OUK A 78 -3.220 -4.237 -2.031 1.00 0.00 C HETATM 258 CE OUK A 78 -4.098 -3.474 -1.022 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.649 -3.605 0.407 1.00 0.00 N HETATM 260 CM OUK A 78 1.104 -4.571 -4.577 1.00 0.00 C HETATM 261 N2 OUK A 78 1.994 -4.041 -5.617 1.00 0.00 N HETATM 278 N OUR A 79 3.852 -2.939 -6.517 1.00 0.00 N HETATM 279 CA OUR A 79 4.992 -2.006 -6.504 1.00 0.00 C HETATM 280 C OUR A 79 3.502 1.124 -5.227 1.00 0.00 C HETATM 281 O OUR A 79 4.533 1.431 -4.638 1.00 0.00 O HETATM 282 CB OUR A 79 6.048 -2.390 -7.570 1.00 0.00 C HETATM 283 CG OUR A 79 6.637 -3.809 -7.370 1.00 0.00 C HETATM 284 CD OUR A 79 7.708 -4.078 -8.445 1.00 0.00 C HETATM 285 NE OUR A 79 8.225 -5.456 -8.363 1.00 0.00 N HETATM 286 CZ OUR A 79 8.010 -6.446 -9.243 1.00 0.00 C HETATM 287 NH1 OUR A 79 7.077 -6.343 -10.196 1.00 0.00 N HETATM 288 NH2 OUR A 79 8.788 -7.532 -9.202 1.00 0.00 N HETATM 289 CM OUR A 79 4.535 -0.551 -6.770 1.00 0.00 C HETATM 290 N2 OUR A 79 3.461 -0.121 -5.871 1.00 0.00 N HETATM 307 N OUH A 80 2.252 1.459 -4.668 1.00 0.00 N HETATM 308 CA OUH A 80 2.099 1.908 -3.276 1.00 0.00 C HETATM 309 C OUH A 80 3.550 -0.772 -1.506 1.00 0.00 C HETATM 310 O OUH A 80 3.193 -0.823 -0.335 1.00 0.00 O HETATM 311 CB OUH A 80 1.107 3.100 -3.171 1.00 0.00 C HETATM 312 CG OUH A 80 -0.198 2.780 -2.486 1.00 0.00 C HETATM 313 CD2 OUH A 80 -0.383 2.758 -1.131 1.00 0.00 C HETATM 314 ND1 OUH A 80 -1.411 2.447 -3.046 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.218 2.292 -1.950 1.00 0.00 C HETATM 316 NE2 OUH A 80 -1.607 2.460 -0.825 1.00 0.00 N HETATM 317 CM OUH A 80 1.739 0.731 -2.333 1.00 0.00 C HETATM 318 N2 OUH A 80 2.624 -0.421 -2.495 1.00 0.00 N HETATM 329 N OUK A 81 4.506 -1.688 -1.962 1.00 0.00 N HETATM 330 CA OUK A 81 5.816 -1.788 -1.310 1.00 0.00 C HETATM 331 C OUK A 81 6.845 1.181 -1.865 1.00 0.00 C HETATM 332 O OUK A 81 7.700 1.173 -0.987 1.00 0.00 O HETATM 333 CB OUK A 81 6.083 -3.233 -0.833 1.00 0.00 C HETATM 334 CG OUK A 81 5.044 -3.688 0.221 1.00 0.00 C HETATM 335 CD OUK A 81 5.311 -5.132 0.682 1.00 0.00 C HETATM 336 CE OUK A 81 4.223 -5.596 1.668 1.00 0.00 C HETATM 337 NZ OUK A 81 4.358 -7.030 2.096 1.00 0.00 N HETATM 338 CM OUK A 81 6.928 -1.304 -2.267 1.00 0.00 C HETATM 339 N2 OUK A 81 6.711 0.077 -2.725 1.00 0.00 N HETATM 356 N OUI A 82 6.369 2.397 -2.388 1.00 0.00 N HETATM 357 CA OUI A 82 6.282 3.635 -1.592 1.00 0.00 C HETATM 358 C OUI A 82 3.862 2.952 0.782 1.00 0.00 C HETATM 359 O OUI A 82 3.119 3.839 1.177 1.00 0.00 O HETATM 360 CB OUI A 82 7.058 4.813 -2.251 1.00 0.00 C HETATM 361 CG1 OUI A 82 6.481 5.210 -3.642 1.00 0.00 C HETATM 362 CG2 OUI A 82 8.561 4.457 -2.347 1.00 0.00 C HETATM 363 CD1 OUI A 82 7.179 6.438 -4.261 1.00 0.00 C HETATM 364 CM OUI A 82 4.815 4.006 -1.278 1.00 0.00 C HETATM 365 N2 OUI A 82 4.125 2.908 -0.595 1.00 0.00 N HETATM 380 N OUH A 83 3.634 1.664 1.286 1.00 0.00 N HETATM 381 CA OUH A 83 3.615 1.384 2.724 1.00 0.00 C HETATM 382 C OUH A 83 7.464 1.050 2.844 1.00 0.00 C HETATM 383 O OUH A 83 7.809 0.945 4.012 1.00 0.00 O HETATM 384 CB OUH A 83 2.885 0.048 3.008 1.00 0.00 C HETATM 385 CG OUH A 83 1.476 -0.024 2.449 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.594 1.028 2.308 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.806 -1.125 1.974 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.403 -0.629 1.585 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.530 0.645 1.775 1.00 0.00 N HETATM 390 CM OUH A 83 5.039 1.428 3.345 1.00 0.00 C HETATM 391 N2 OUH A 83 6.108 0.877 2.491 1.00 0.00 N ATOM 402 N ARG A 84 8.400 0.825 1.810 1.00 0.00 N ATOM 403 CA ARG A 84 9.864 0.805 2.034 1.00 0.00 C ATOM 404 C ARG A 84 10.457 2.185 2.376 1.00 0.00 C ATOM 405 O ARG A 84 11.477 2.269 3.063 1.00 0.00 O ATOM 406 CB ARG A 84 10.554 0.270 0.763 1.00 0.00 C ATOM 407 CG ARG A 84 12.005 -0.173 1.037 1.00 0.00 C ATOM 408 CD ARG A 84 12.743 -0.583 -0.240 1.00 0.00 C ATOM 409 NE ARG A 84 12.932 0.552 -1.164 1.00 0.00 N ATOM 410 CZ ARG A 84 13.855 1.496 -1.094 1.00 0.00 C ATOM 411 NH1 ARG A 84 14.830 1.498 -0.235 1.00 0.00 N ATOM 412 NH2 ARG A 84 13.802 2.506 -1.906 1.00 0.00 N ATOM 0 H ARG A 84 8.131 0.661 0.840 1.00 0.00 H new ATOM 0 HA ARG A 84 10.042 0.162 2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.986 -0.573 0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.550 1.044 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.545 0.641 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.000 -1.010 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.715 -1.001 0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.183 -1.370 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 84 12.277 0.615 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.916 0.738 0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.509 2.259 -0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.051 2.569 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.511 3.238 -1.857 1.00 0.00 H new ATOM 426 N LYS A 85 9.884 3.233 1.779 1.00 0.00 N ATOM 427 CA LYS A 85 10.160 4.646 2.051 1.00 0.00 C ATOM 428 C LYS A 85 8.841 5.362 2.312 1.00 0.00 C ATOM 429 O LYS A 85 7.815 4.985 1.749 1.00 0.00 O ATOM 430 CB LYS A 85 10.884 5.323 0.878 1.00 0.00 C ATOM 431 CG LYS A 85 12.389 5.013 0.772 1.00 0.00 C ATOM 432 CD LYS A 85 13.088 5.926 -0.261 1.00 0.00 C ATOM 433 CE LYS A 85 13.012 7.429 0.064 1.00 0.00 C ATOM 434 NZ LYS A 85 13.762 7.786 1.289 1.00 0.00 N ATOM 0 H LYS A 85 9.177 3.112 1.054 1.00 0.00 H new ATOM 0 HA LYS A 85 10.812 4.706 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.400 5.020 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.757 6.402 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.857 5.142 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.527 3.970 0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.136 5.635 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.640 5.755 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.406 7.999 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.968 7.718 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.678 8.808 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.371 7.265 2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.764 7.537 1.167 1.00 0.00 H new ATOM 448 N ASP A 86 8.913 6.390 3.149 1.00 0.00 N ATOM 449 CA ASP A 86 7.783 7.159 3.672 1.00 0.00 C ATOM 450 C ASP A 86 8.225 8.590 4.020 1.00 0.00 C ATOM 451 O ASP A 86 9.173 8.644 4.835 1.00 0.00 O ATOM 452 CB ASP A 86 7.226 6.368 4.874 1.00 0.00 C ATOM 453 CG ASP A 86 5.851 6.805 5.410 1.00 0.00 C ATOM 454 OD1 ASP A 86 5.351 7.886 5.031 1.00 0.00 O ATOM 455 OD2 ASP A 86 5.365 6.103 6.325 1.00 0.00 O ATOM 456 OXT ASP A 86 8.254 9.368 3.047 1.00 0.00 O ATOM 0 H ASP A 86 9.808 6.730 3.502 1.00 0.00 H new ATOM 0 HA ASP A 86 6.989 7.281 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.163 5.317 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.946 6.435 5.689 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.210 1.568 1.107 1.00 0.00 ZN HETATM 463 O HOH A 201 8.075 11.212 1.237 1.00 0.00 O HETATM 466 O HOH A 202 3.795 8.630 3.072 1.00 0.00 O HETATM 469 O HOH A 203 5.452 5.675 8.903 1.00 0.00 O HETATM 472 O HOH A 204 -1.398 3.140 1.694 1.00 0.00 O HETATM 475 O HOH A 205 4.634 9.363 7.079 1.00 0.00 O HETATM 478 O HOH A 206 4.254 -0.566 -11.375 1.00 0.00 O HETATM 481 O HOH A 207 0.100 -7.051 5.696 1.00 0.00 O HETATM 484 O HOH A 208 -3.992 -0.463 -9.789 1.00 0.00 O HETATM 487 O HOH A 209 4.147 -9.977 -9.774 1.00 0.00 O HETATM 490 O HOH A 210 -6.250 -6.773 7.856 1.00 0.00 O HETATM 493 O HOH A 211 -4.765 -5.740 10.415 1.00 0.00 O HETATM 496 O HOH A 212 10.176 11.075 5.196 1.00 0.00 O HETATM 499 O HOH A 213 3.721 -8.466 -6.594 1.00 0.00 O HETATM 502 O HOH A 214 -11.763 0.518 7.124 1.00 0.00 O HETATM 505 O HOH A 215 4.249 4.720 -9.336 1.00 0.00 O HETATM 508 O HOH A 216 3.959 3.862 6.900 1.00 0.00 O HETATM 511 O HOH A 217 -2.051 3.439 9.419 1.00 0.00 O HETATM 514 O HOH A 218 1.345 4.829 -8.141 1.00 0.00 O HETATM 517 O HOH A 219 -0.348 -7.827 8.262 1.00 0.00 O HETATM 520 O HOH A 220 -12.092 -0.154 -3.272 1.00 0.00 O HETATM 523 O HOH A 221 -10.658 -3.054 5.680 1.00 0.00 O HETATM 526 O HOH A 222 0.001 -11.466 -8.860 1.00 0.00 O HETATM 529 O HOH A 223 -5.954 0.333 9.660 1.00 0.00 O HETATM 532 O HOH A 224 -1.116 -7.418 -5.086 1.00 0.00 O HETATM 535 O HOH A 225 -1.189 -4.575 1.295 1.00 0.00 O HETATM 538 O HOH A 226 -17.192 -5.312 2.902 1.00 0.00 O HETATM 541 O HOH A 227 16.104 4.006 -0.331 1.00 0.00 O HETATM 544 O HOH A 228 -9.372 7.463 2.156 1.00 0.00 O HETATM 547 O HOH A 229 15.299 -0.141 2.026 1.00 0.00 O HETATM 550 O HOH A 230 -10.848 -10.335 -5.471 1.00 0.00 O HETATM 553 O HOH A 231 7.693 -0.748 6.291 1.00 0.00 O HETATM 556 O HOH A 232 6.734 -6.817 3.650 1.00 0.00 O HETATM 559 O HOH A 233 2.222 -6.637 3.946 1.00 0.00 O HETATM 562 O HOH A 234 11.296 1.888 -3.171 1.00 0.00 O HETATM 565 O HOH A 235 6.136 -8.792 -11.394 1.00 0.00 O HETATM 568 O HOH A 236 -2.441 5.554 7.673 1.00 0.00 O HETATM 571 O HOH A 237 -2.628 -12.118 -7.263 1.00 0.00 O HETATM 574 O HOH A 238 -10.334 4.947 7.990 1.00 0.00 O HETATM 577 O HOH A 239 -13.027 -11.113 -2.005 1.00 0.00 O HETATM 580 O HOH A 240 -13.240 8.983 5.317 1.00 0.00 O HETATM 583 O HOH A 241 -17.575 -5.770 -0.827 1.00 0.00 O HETATM 586 O HOH A 242 -2.841 -12.036 -13.276 1.00 0.00 O HETATM 589 O HOH A 243 6.676 -4.103 -12.027 1.00 0.00 O HETATM 592 O HOH A 244 1.517 -11.581 -6.663 1.00 0.00 O HETATM 595 O HOH A 245 3.088 -7.892 -0.425 1.00 0.00 O HETATM 598 O HOH A 246 -6.986 -1.349 -8.946 1.00 0.00 O HETATM 601 O HOH A 247 -2.161 -9.182 -13.860 1.00 0.00 O HETATM 604 O HOH A 248 10.686 -6.366 -6.938 1.00 0.00 O HETATM 607 O HOH A 249 -6.171 -3.843 -9.767 1.00 0.00 O HETATM 610 O HOH A 250 -12.512 1.462 2.336 1.00 0.00 O HETATM 613 O HOH A 251 7.778 -6.648 -13.120 1.00 0.00 O HETATM 616 O HOH A 252 2.595 -9.450 1.671 1.00 0.00 O HETATM 619 O HOH A 253 -4.749 -8.416 -13.923 1.00 0.00 O HETATM 622 O HOH A 254 -14.655 6.760 7.273 1.00 0.00 O HETATM 625 O HOH A 255 11.408 -9.270 -9.314 1.00 0.00 O HETATM 628 O HOH A 256 4.805 -9.970 3.124 1.00 0.00 O HETATM 631 O HOH A 257 -12.293 9.761 2.924 1.00 0.00 O HETATM 634 O HOH A 258 -1.249 5.585 -0.508 1.00 0.00 O HETATM 637 O HOH A 259 6.527 -8.228 0.130 1.00 0.00 O HETATM 640 O HOH A 260 1.237 -5.145 -13.357 1.00 0.00 O HETATM 643 O HOH A 261 -12.755 7.951 8.797 1.00 0.00 O HETATM 646 O HOH A 262 -3.904 4.647 -0.830 1.00 0.00 O HETATM 649 O HOH A 263 -12.649 -10.712 0.705 1.00 0.00 O HETATM 652 O HOH A 264 10.783 -5.234 -10.252 1.00 0.00 O HETATM 655 O HOH A 265 -10.569 -0.776 -5.474 1.00 0.00 O HETATM 658 O HOH A 266 -5.329 -12.608 -12.236 1.00 0.00 O HETATM 661 O HOH A 267 -15.907 -7.887 -0.895 1.00 0.00 O HETATM 664 O HOH A 268 -10.641 9.715 5.959 1.00 0.00 O HETATM 667 O HOH A 269 -2.327 -2.149 -11.167 1.00 0.00 O HETATM 670 O HOH A 270 10.261 -7.065 -12.233 1.00 0.00 O HETATM 673 O HOH A 271 -9.601 9.852 3.501 1.00 0.00 O HETATM 676 O HOH A 272 -14.478 4.234 6.081 1.00 0.00 O HETATM 679 O HOH A 273 8.291 4.135 7.037 1.00 0.00 O HETATM 682 O HOH A 274 -15.003 -10.945 -3.906 1.00 0.00 O HETATM 685 O HOH A 275 -1.556 -5.635 -12.803 1.00 0.00 O HETATM 688 O HOH A 276 5.579 11.750 2.220 1.00 0.00 O HETATM 691 O HOH A 277 4.170 -11.068 -7.224 1.00 0.00 O HETATM 694 O HOH A 278 14.998 1.490 4.155 1.00 0.00 O HETATM 697 O HOH A 279 6.196 3.107 8.461 1.00 0.00 O HETATM 700 O HOH A 280 -1.785 -6.883 0.053 1.00 0.00 O HETATM 703 O HOH A 281 8.603 -2.751 3.753 1.00 0.00 O HETATM 706 O HOH A 282 -16.312 -4.449 -2.733 1.00 0.00 O HETATM 709 O HOH A 283 12.538 -6.889 -8.909 1.00 0.00 O HETATM 712 O HOH A 284 14.063 -2.899 -2.380 1.00 0.00 O HETATM 715 O HOH A 285 -12.179 -8.623 2.579 1.00 0.00 O HETATM 718 O HOH A 286 4.535 8.154 9.499 1.00 0.00 O HETATM 721 O HOH A 287 -12.284 -2.749 -6.043 1.00 0.00 O HETATM 724 O HOH A 288 -3.814 -4.535 -11.763 1.00 0.00 O HETATM 727 O HOH A 289 -11.457 3.209 0.210 1.00 0.00 O HETATM 730 O HOH A 290 -13.701 -7.386 -6.822 1.00 0.00 O HETATM 733 O HOH A 291 -10.265 2.369 8.575 1.00 0.00 O HETATM 736 O HOH A 292 3.199 6.362 -6.823 1.00 0.00 O HETATM 739 O HOH A 293 -4.343 2.376 10.537 1.00 0.00 O HETATM 742 O HOH A 294 9.405 -2.972 1.133 1.00 0.00 O HETATM 745 O HOH A 295 -8.745 0.379 9.757 1.00 0.00 O HETATM 748 O HOH A 296 3.300 0.543 -13.702 1.00 0.00 O HETATM 751 O HOH A 297 -10.301 9.299 8.668 1.00 0.00 O HETATM 754 O HOH A 298 -6.994 -12.062 -10.121 1.00 0.00 O HETATM 757 O HOH A 299 -7.448 -5.049 9.729 1.00 0.00 O HETATM 760 O HOH A 300 -11.157 -12.710 -0.727 1.00 0.00 O HETATM 763 O HOH A 301 -15.007 -9.650 -6.280 1.00 0.00 O HETATM 766 O HOH A 302 -5.801 -6.439 -12.462 1.00 0.00 O HETATM 769 O HOH A 303 5.539 2.029 -13.480 1.00 0.00 O HETATM 772 O HOH A 304 4.354 -2.817 -12.897 1.00 0.00 O HETATM 775 O HOH A 305 -7.579 -6.017 -10.391 1.00 0.00 O HETATM 778 O HOH A 306 10.763 -0.260 -4.638 1.00 0.00 O HETATM 781 O HOH A 307 11.459 -2.640 -3.518 1.00 0.00 O HETATM 784 O HOH A 308 10.264 -4.715 -4.716 1.00 0.00 O HETATM 787 O HOH A 309 -4.254 -14.301 -8.330 1.00 0.00 O HETATM 790 O HOH A 310 -4.357 -11.469 -5.138 1.00 0.00 O HETATM 793 O HOH A 311 10.652 -10.918 -7.334 1.00 0.00 O HETATM 796 O HOH A 312 17.641 2.578 -3.862 1.00 0.00 O HETATM 799 O HOH A 313 -1.839 -7.820 -2.470 1.00 0.00 O HETATM 802 O HOH A 314 4.549 -10.869 -12.329 1.00 0.00 O HETATM 805 O HOH A 315 -0.042 -6.749 10.835 1.00 0.00 O HETATM 808 O HOH A 316 16.045 4.315 -5.157 1.00 0.00 O HETATM 811 O HOH A 317 -9.434 4.168 -1.328 1.00 0.00 O HETATM 814 O HOH A 318 -13.212 2.003 4.958 1.00 0.00 O HETATM 817 O HOH A 319 -6.311 -8.692 4.156 1.00 0.00 O HETATM 820 O HOH A 320 -8.328 -2.386 9.776 1.00 0.00 O HETATM 823 O HOH A 321 -10.314 -7.116 4.759 1.00 0.00 O HETATM 826 O HOH A 322 7.779 -1.755 -10.731 1.00 0.00 O HETATM 829 O HOH A 323 11.692 9.296 -2.371 1.00 0.00 O HETATM 832 O HOH A 324 2.138 -4.605 5.690 1.00 0.00 O HETATM 835 O HOH A 325 5.646 -9.422 5.650 1.00 0.00 O HETATM 838 O HOH A 326 2.883 8.273 0.510 1.00 0.00 O HETATM 841 O HOH A 327 0.299 2.297 10.314 1.00 0.00 O HETATM 844 O HOH A 328 6.866 -0.112 -12.637 1.00 0.00 O HETATM 847 O HOH A 329 8.852 -7.529 1.274 1.00 0.00 O HETATM 850 O HOH A 330 13.844 -3.740 0.230 1.00 0.00 O HETATM 853 O HOH A 331 -9.400 -7.836 -9.366 1.00 0.00 O HETATM 856 O HOH A 332 -14.754 0.319 -2.258 1.00 0.00 O HETATM 859 O HOH A 333 2.487 3.787 9.225 1.00 0.00 O HETATM 862 O HOH A 334 18.100 4.588 -2.124 1.00 0.00 O HETATM 865 O HOH A 335 9.775 -1.094 -7.054 1.00 0.00 O HETATM 868 O HOH A 336 8.903 -10.383 -5.304 1.00 0.00 O HETATM 871 O HOH A 337 -5.991 -13.351 -6.406 1.00 0.00 O HETATM 874 O HOH A 338 5.203 -1.402 7.365 1.00 0.00 O HETATM 877 O HOH A 339 6.043 -7.429 -2.462 1.00 0.00 O HETATM 880 O HOH A 340 -19.706 -4.313 2.697 1.00 0.00 O HETATM 883 O HOH A 341 5.955 6.496 -8.153 1.00 0.00 O HETATM 886 O HOH A 342 -13.812 -2.236 -3.858 1.00 0.00 O HETATM 889 O HOH A 343 0.165 -7.676 -13.961 1.00 0.00 O HETATM 892 O HOH A 344 -9.825 3.911 -4.055 1.00 0.00 O HETATM 895 O HOH A 345 -2.521 0.103 -12.696 1.00 0.00 O HETATM 898 O HOH A 346 -16.446 -1.733 -2.555 1.00 0.00 O HETATM 901 O HOH A 347 15.599 8.773 -3.259 1.00 0.00 O HETATM 904 O HOH A 348 -14.061 3.547 1.195 1.00 0.00 O HETATM 907 O HOH A 349 8.178 -5.794 -3.314 1.00 0.00 O HETATM 910 O HOH A 350 -15.331 -5.251 -5.182 1.00 0.00 O HETATM 913 O HOH A 351 6.786 -8.833 -4.756 1.00 0.00 O HETATM 916 O HOH A 352 -8.807 -6.297 7.026 1.00 0.00 O HETATM 919 O HOH A 353 -1.342 -4.726 12.237 1.00 0.00 O HETATM 922 O HOH A 354 9.093 -5.432 3.057 1.00 0.00 O HETATM 925 O HOH A 355 -9.812 -12.927 -5.298 1.00 0.00 O HETATM 928 O HOH A 356 -1.808 -1.978 12.374 1.00 0.00 O HETATM 931 O HOH A 357 -3.369 7.147 0.294 1.00 0.00 O HETATM 934 O HOH A 358 -17.210 -9.495 -2.894 1.00 0.00 O HETATM 937 O HOH A 359 11.218 -2.918 4.156 1.00 0.00 O HETATM 940 O HOH A 360 -0.352 1.640 -13.076 1.00 0.00 O HETATM 943 O HOH A 361 16.581 -3.247 0.815 1.00 0.00 O HETATM 946 O HOH A 362 14.733 -2.723 2.776 1.00 0.00 O HETATM 949 O HOH A 363 -3.488 -9.914 -2.930 1.00 0.00 O HETATM 952 O HOH A 364 -8.886 -10.205 -10.591 1.00 0.00 O HETATM 955 O HOH A 365 19.692 3.415 -0.275 1.00 0.00 O HETATM 958 O HOH A 366 -6.597 4.074 -0.874 1.00 0.00 O HETATM 961 O HOH A 367 -12.237 -5.170 5.142 1.00 0.00 O HETATM 964 O HOH A 368 6.736 -11.636 -6.582 1.00 0.00 O HETATM 967 O HOH A 369 -1.097 6.083 -8.613 1.00 0.00 O HETATM 970 O HOH A 370 -5.681 -10.225 1.962 1.00 0.00 O HETATM 973 O HOH A 371 -5.469 3.052 -8.977 1.00 0.00 O HETATM 976 O HOH A 372 7.894 4.828 -7.487 1.00 0.00 O HETATM 979 O HOH A 373 17.071 6.480 -3.775 1.00 0.00 O HETATM 982 O HOH A 374 -14.103 -9.095 4.478 1.00 0.00 O HETATM 985 O HOH A 375 -10.320 -5.464 -10.437 1.00 0.00 O HETATM 988 O HOH A 376 -9.102 -13.691 0.763 1.00 0.00 O HETATM 991 O HOH A 377 0.866 0.023 -14.938 1.00 0.00 O HETATM 994 O HOH A 378 9.251 0.885 -8.820 1.00 0.00 O HETATM 997 O HOH A 379 -14.664 5.428 -0.606 1.00 0.00 O HETATM 1000 O HOH A 380 5.346 0.600 9.159 1.00 0.00 O HETATM 1003 O HOH A 381 -8.354 -13.096 -7.874 1.00 0.00 O HETATM 1006 O HOH A 382 -0.112 0.260 12.094 1.00 0.00 O HETATM 1009 O HOH A 383 -13.661 -4.704 -7.390 1.00 0.00 O HETATM 1012 O HOH A 384 -2.740 3.850 -8.722 1.00 0.00 O HETATM 1015 O HOH A 385 11.628 -4.379 1.852 1.00 0.00 O HETATM 1018 O HOH A 386 3.389 -3.365 7.695 1.00 0.00 O HETATM 1021 O HOH A 387 13.684 -2.808 5.275 1.00 0.00 O HETATM 1024 O HOH A 388 -5.015 -10.566 -0.709 1.00 0.00 O HETATM 1027 O HOH A 389 -9.034 -14.292 -2.695 1.00 0.00 O HETATM 1030 O HOH A 390 10.516 5.113 -6.714 1.00 0.00 O HETATM 1033 O HOH A 391 4.498 8.780 -7.358 1.00 0.00 O HETATM 1036 O HOH A 392 6.169 10.714 -2.931 1.00 0.00 O HETATM 1039 O HOH A 393 3.163 1.460 10.542 1.00 0.00 O HETATM 1042 O HOH A 394 -8.533 3.122 -8.265 1.00 0.00 O HETATM 1045 O HOH A 395 3.467 -2.747 10.350 1.00 0.00 O HETATM 1048 O HOH A 396 1.831 -1.720 12.261 1.00 0.00 O HETATM 1051 O HOH A 397 -9.525 4.975 -6.536 1.00 0.00 O HETATM 1054 O HOH A 398 -8.092 -14.977 -5.326 1.00 0.00 O HETATM 1057 O HOH A 399 -4.935 5.636 -9.638 1.00 0.00 O