REMARK 1 CREATED WITH OPENMM 8.3, 2025-07-01 CRYST1 24.000 24.000 24.000 90.00 90.00 90.00 P 1 1 ATOM 1 N GLY A 1 -6.274 -1.954 4.174 1.00 0.00 N ATOM 2 CA GLY A 1 -6.600 -1.462 2.797 1.00 0.00 C ATOM 3 C GLY A 1 -5.465 -1.599 1.823 1.00 0.00 C ATOM 4 O GLY A 1 -4.649 -2.500 1.958 1.00 0.00 O ATOM 5 H GLY A 1 -5.496 -1.418 4.630 1.00 0.00 H ATOM 6 H2 GLY A 1 -5.943 -2.956 4.190 1.00 0.00 H ATOM 7 H3 GLY A 1 -7.112 -1.843 4.800 1.00 0.00 H ATOM 8 HA2 GLY A 1 -7.410 -2.070 2.428 1.00 0.00 H ATOM 9 HA3 GLY A 1 -6.850 -0.414 2.880 1.00 0.00 H ATOM 10 N TYR A 2 -5.371 -0.720 0.809 1.00 0.00 N ATOM 11 CA TYR A 2 -4.230 -0.674 -0.093 1.00 0.00 C ATOM 12 C TYR A 2 -3.463 0.617 0.174 1.00 0.00 C ATOM 13 O TYR A 2 -4.013 1.720 0.097 1.00 0.00 O ATOM 14 CB TYR A 2 -4.675 -0.812 -1.581 1.00 0.00 C ATOM 15 CG TYR A 2 -3.519 -0.744 -2.554 1.00 0.00 C ATOM 16 CD1 TYR A 2 -2.895 -1.910 -3.034 1.00 0.00 C ATOM 17 CD2 TYR A 2 -3.072 0.501 -3.024 1.00 0.00 C ATOM 18 CE1 TYR A 2 -1.832 -1.825 -3.948 1.00 0.00 C ATOM 19 CE2 TYR A 2 -2.004 0.591 -3.923 1.00 0.00 C ATOM 20 CZ TYR A 2 -1.385 -0.573 -4.387 1.00 0.00 C ATOM 21 OH TYR A 2 -0.316 -0.471 -5.298 1.00 0.00 O ATOM 22 H TYR A 2 -6.085 -0.031 0.647 1.00 0.00 H ATOM 23 HA TYR A 2 -3.549 -1.489 0.122 1.00 0.00 H ATOM 24 HB2 TYR A 2 -5.184 -1.790 -1.715 1.00 0.00 H ATOM 25 HB3 TYR A 2 -5.401 -0.010 -1.835 1.00 0.00 H ATOM 26 HD1 TYR A 2 -3.234 -2.877 -2.691 1.00 0.00 H ATOM 27 HD2 TYR A 2 -3.545 1.404 -2.672 1.00 0.00 H ATOM 28 HE1 TYR A 2 -1.347 -2.721 -4.309 1.00 0.00 H ATOM 29 HE2 TYR A 2 -1.671 1.562 -4.257 1.00 0.00 H ATOM 30 HH TYR A 2 -0.007 0.453 -5.271 1.00 0.00 H ATOM 31 N ASP A 3 -2.169 0.498 0.522 1.00 0.00 N ATOM 32 CA ASP A 3 -1.368 1.602 1.002 1.00 0.00 C ATOM 33 C ASP A 3 -0.444 2.119 -0.108 1.00 0.00 C ATOM 34 O ASP A 3 0.309 1.327 -0.683 1.00 0.00 O ATOM 35 CB ASP A 3 -0.589 1.125 2.261 1.00 0.00 C ATOM 36 CG ASP A 3 0.254 2.181 2.948 1.00 0.00 C ATOM 37 OD1 ASP A 3 0.313 3.347 2.481 1.00 0.00 O ATOM 38 OD2 ASP A 3 0.843 1.853 4.007 1.00 0.00 O ATOM 39 H ASP A 3 -1.713 -0.394 0.509 1.00 0.00 H ATOM 40 HA ASP A 3 -2.028 2.392 1.327 1.00 0.00 H ATOM 41 HB2 ASP A 3 -1.326 0.748 3.001 1.00 0.00 H ATOM 42 HB3 ASP A 3 0.077 0.281 1.990 1.00 0.00 H ATOM 43 N PRO A 4 -0.421 3.407 -0.468 1.00 0.00 N ATOM 44 CA PRO A 4 0.523 3.917 -1.451 1.00 0.00 C ATOM 45 C PRO A 4 1.936 4.056 -0.894 1.00 0.00 C ATOM 46 O PRO A 4 2.826 4.393 -1.677 1.00 0.00 O ATOM 47 CB PRO A 4 -0.079 5.283 -1.835 1.00 0.00 C ATOM 48 CG PRO A 4 -0.797 5.747 -0.565 1.00 0.00 C ATOM 49 CD PRO A 4 -1.358 4.438 -0.009 1.00 0.00 C ATOM 50 HA PRO A 4 0.575 3.234 -2.287 1.00 0.00 H ATOM 51 HB2 PRO A 4 0.670 6.015 -2.196 1.00 0.00 H ATOM 52 HB3 PRO A 4 -0.834 5.124 -2.638 1.00 0.00 H ATOM 53 HG2 PRO A 4 -0.057 6.166 0.152 1.00 0.00 H ATOM 54 HG3 PRO A 4 -1.586 6.497 -0.769 1.00 0.00 H ATOM 55 HD2 PRO A 4 -1.420 4.470 1.100 1.00 0.00 H ATOM 56 HD3 PRO A 4 -2.358 4.222 -0.441 1.00 0.00 H ATOM 57 N GLU A 5 2.208 3.789 0.404 1.00 0.00 N ATOM 58 CA GLU A 5 3.575 3.720 0.907 1.00 0.00 C ATOM 59 C GLU A 5 4.167 2.385 0.491 1.00 0.00 C ATOM 60 O GLU A 5 5.100 2.323 -0.311 1.00 0.00 O ATOM 61 CB GLU A 5 3.623 3.859 2.458 1.00 0.00 C ATOM 62 CG GLU A 5 4.941 4.475 3.016 1.00 0.00 C ATOM 63 CD GLU A 5 6.166 3.568 3.104 1.00 0.00 C ATOM 64 OE1 GLU A 5 6.123 2.356 2.791 1.00 0.00 O ATOM 65 OE2 GLU A 5 7.228 4.108 3.518 1.00 0.00 O ATOM 66 H GLU A 5 1.469 3.588 1.066 1.00 0.00 H ATOM 67 HA GLU A 5 4.163 4.506 0.457 1.00 0.00 H ATOM 68 HB2 GLU A 5 2.796 4.558 2.719 1.00 0.00 H ATOM 69 HB3 GLU A 5 3.379 2.916 2.991 1.00 0.00 H ATOM 70 HG2 GLU A 5 5.230 5.358 2.408 1.00 0.00 H ATOM 71 HG3 GLU A 5 4.753 4.809 4.061 1.00 0.00 H ATOM 72 N THR A 6 3.591 1.274 0.992 1.00 0.00 N ATOM 73 CA THR A 6 4.025 -0.081 0.690 1.00 0.00 C ATOM 74 C THR A 6 3.861 -0.453 -0.774 1.00 0.00 C ATOM 75 O THR A 6 4.703 -1.128 -1.367 1.00 0.00 O ATOM 76 CB THR A 6 3.349 -1.151 1.555 1.00 0.00 C ATOM 77 OG1 THR A 6 1.959 -1.285 1.287 1.00 0.00 O ATOM 78 CG2 THR A 6 3.485 -0.794 3.042 1.00 0.00 C ATOM 79 H THR A 6 2.834 1.352 1.638 1.00 0.00 H ATOM 80 HA THR A 6 5.081 -0.120 0.905 1.00 0.00 H ATOM 81 HB THR A 6 3.850 -2.132 1.383 1.00 0.00 H ATOM 82 HG1 THR A 6 1.746 -2.222 1.446 1.00 0.00 H ATOM 83 HG21 THR A 6 4.548 -0.623 3.308 1.00 0.00 H ATOM 84 HG22 THR A 6 3.092 -1.616 3.677 1.00 0.00 H ATOM 85 HG23 THR A 6 2.911 0.125 3.290 1.00 0.00 H ATOM 86 N GLY A 7 2.732 -0.043 -1.394 1.00 0.00 N ATOM 87 CA GLY A 7 2.294 -0.524 -2.698 1.00 0.00 C ATOM 88 C GLY A 7 1.749 -1.925 -2.606 1.00 0.00 C ATOM 89 O GLY A 7 1.874 -2.720 -3.537 1.00 0.00 O ATOM 90 H GLY A 7 2.077 0.525 -0.885 1.00 0.00 H ATOM 91 HA2 GLY A 7 1.485 0.111 -3.025 1.00 0.00 H ATOM 92 HA3 GLY A 7 3.133 -0.535 -3.378 1.00 0.00 H ATOM 93 N THR A 8 1.164 -2.268 -1.443 1.00 0.00 N ATOM 94 CA THR A 8 0.659 -3.596 -1.128 1.00 0.00 C ATOM 95 C THR A 8 -0.714 -3.461 -0.520 1.00 0.00 C ATOM 96 O THR A 8 -1.117 -2.416 -0.012 1.00 0.00 O ATOM 97 CB THR A 8 1.524 -4.433 -0.142 1.00 0.00 C ATOM 98 OG1 THR A 8 1.450 -4.052 1.238 1.00 0.00 O ATOM 99 CG2 THR A 8 2.998 -4.389 -0.556 1.00 0.00 C ATOM 100 H THR A 8 1.101 -1.590 -0.707 1.00 0.00 H ATOM 101 HA THR A 8 0.553 -4.152 -2.049 1.00 0.00 H ATOM 102 HB THR A 8 1.192 -5.496 -0.208 1.00 0.00 H ATOM 103 HG1 THR A 8 0.585 -4.376 1.558 1.00 0.00 H ATOM 104 HG21 THR A 8 3.107 -4.694 -1.616 1.00 0.00 H ATOM 105 HG22 THR A 8 3.601 -5.075 0.075 1.00 0.00 H ATOM 106 HG23 THR A 8 3.411 -3.367 -0.446 1.00 0.00 H ATOM 107 N TRP A 9 -1.462 -4.578 -0.508 1.00 0.00 N ATOM 108 CA TRP A 9 -2.525 -4.792 0.454 1.00 0.00 C ATOM 109 C TRP A 9 -2.001 -4.857 1.883 1.00 0.00 C ATOM 110 O TRP A 9 -0.888 -5.328 2.130 1.00 0.00 O ATOM 111 CB TRP A 9 -3.350 -6.057 0.104 1.00 0.00 C ATOM 112 CG TRP A 9 -4.143 -5.868 -1.151 1.00 0.00 C ATOM 113 CD1 TRP A 9 -3.856 -6.312 -2.418 1.00 0.00 C ATOM 114 CD2 TRP A 9 -5.318 -5.049 -1.263 1.00 0.00 C ATOM 115 NE1 TRP A 9 -4.778 -5.798 -3.300 1.00 0.00 N ATOM 116 CE2 TRP A 9 -5.671 -5.021 -2.629 1.00 0.00 C ATOM 117 CE3 TRP A 9 -6.093 -4.351 -0.338 1.00 0.00 C ATOM 118 CZ2 TRP A 9 -6.740 -4.269 -3.089 1.00 0.00 C ATOM 119 CZ3 TRP A 9 -7.168 -3.590 -0.803 1.00 0.00 C ATOM 120 CH2 TRP A 9 -7.476 -3.534 -2.159 1.00 0.00 C ATOM 121 H TRP A 9 -1.187 -5.386 -1.019 1.00 0.00 H ATOM 122 HA TRP A 9 -3.179 -3.929 0.412 1.00 0.00 H ATOM 123 HB2 TRP A 9 -2.666 -6.925 -0.011 1.00 0.00 H ATOM 124 HB3 TRP A 9 -4.055 -6.294 0.927 1.00 0.00 H ATOM 125 HD1 TRP A 9 -3.027 -6.967 -2.668 1.00 0.00 H ATOM 126 HE1 TRP A 9 -4.916 -6.066 -4.233 1.00 0.00 H ATOM 127 HE3 TRP A 9 -5.853 -4.369 0.717 1.00 0.00 H ATOM 128 HZ2 TRP A 9 -6.984 -4.220 -4.136 1.00 0.00 H ATOM 129 HZ3 TRP A 9 -7.753 -3.012 -0.097 1.00 0.00 H ATOM 130 HH2 TRP A 9 -8.282 -2.899 -2.504 1.00 0.00 H ATOM 131 N GLY A 10 -2.783 -4.355 2.843 1.00 0.00 N ATOM 132 CA GLY A 10 -2.436 -4.301 4.245 1.00 0.00 C ATOM 133 C GLY A 10 -3.699 -4.095 5.082 1.00 0.00 C ATOM 134 O GLY A 10 -3.551 -3.810 6.300 1.00 0.00 O ATOM 135 OXT GLY A 10 -4.845 -4.199 4.566 1.00 0.00 O ATOM 136 H GLY A 10 -3.656 -3.912 2.620 1.00 0.00 H ATOM 137 HA2 GLY A 10 -1.986 -5.233 4.552 1.00 0.00 H ATOM 138 HA3 GLY A 10 -1.800 -3.438 4.395 1.00 0.00 H TER 139 GLY A 10 HETATM 140 O HOH B 1 5.537 2.848 -8.373 1.00 0.00 O HETATM 141 H1 HOH B 1 5.578 2.076 -8.939 1.00 0.00 H HETATM 142 H2 HOH B 1 4.698 3.257 -8.585 1.00 0.00 H HETATM 143 O HOH B 2 5.119 -9.650 9.219 1.00 0.00 O HETATM 144 H1 HOH B 2 5.020 -10.379 8.606 1.00 0.00 H HETATM 145 H2 HOH B 2 4.405 -9.052 8.998 1.00 0.00 H HETATM 146 O HOH B 3 -6.058 6.083 10.429 1.00 0.00 O HETATM 147 H1 HOH B 3 -6.940 5.720 10.349 1.00 0.00 H HETATM 148 H2 HOH B 3 -5.477 5.338 10.276 1.00 0.00 H HETATM 149 O HOH B 4 -10.533 -0.449 -2.899 1.00 0.00 O HETATM 150 H1 HOH B 4 -10.613 0.471 -3.149 1.00 0.00 H HETATM 151 H2 HOH B 4 -10.545 -0.925 -3.730 1.00 0.00 H HETATM 152 O HOH B 5 4.857 6.167 -1.839 1.00 0.00 O HETATM 153 H1 HOH B 5 4.230 5.458 -1.698 1.00 0.00 H HETATM 154 H2 HOH B 5 4.893 6.269 -2.790 1.00 0.00 H HETATM 155 O HOH B 6 7.885 -1.776 -4.397 1.00 0.00 O HETATM 156 H1 HOH B 6 7.796 -1.088 -5.056 1.00 0.00 H HETATM 157 H2 HOH B 6 7.975 -1.306 -3.569 1.00 0.00 H HETATM 158 O HOH B 7 5.952 8.895 -8.581 1.00 0.00 O HETATM 159 H1 HOH B 7 5.794 9.752 -8.183 1.00 0.00 H HETATM 160 H2 HOH B 7 6.902 8.850 -8.684 1.00 0.00 H HETATM 161 O HOH B 8 -8.922 8.767 -7.817 1.00 0.00 O HETATM 162 H1 HOH B 8 -7.991 8.991 -7.809 1.00 0.00 H HETATM 163 H2 HOH B 8 -8.974 7.941 -7.337 1.00 0.00 H HETATM 164 O HOH B 9 -0.118 2.251 -10.674 1.00 0.00 O HETATM 165 H1 HOH B 9 -0.009 2.429 -11.608 1.00 0.00 H HETATM 166 H2 HOH B 9 0.669 2.612 -10.267 1.00 0.00 H HETATM 167 O HOH B 10 4.631 8.796 1.859 1.00 0.00 O HETATM 168 H1 HOH B 10 5.343 9.077 2.433 1.00 0.00 H HETATM 169 H2 HOH B 10 5.042 8.686 1.002 1.00 0.00 H HETATM 170 O HOH B 11 0.775 10.971 -2.895 1.00 0.00 O HETATM 171 H1 HOH B 11 0.907 11.806 -3.344 1.00 0.00 H HETATM 172 H2 HOH B 11 0.524 10.362 -3.590 1.00 0.00 H HETATM 173 O HOH B 12 -9.453 -5.591 -5.442 1.00 0.00 O HETATM 174 H1 HOH B 12 -9.991 -5.766 -6.214 1.00 0.00 H HETATM 175 H2 HOH B 12 -8.674 -5.154 -5.786 1.00 0.00 H HETATM 176 O HOH B 13 -7.625 -11.557 4.412 1.00 0.00 O HETATM 177 H1 HOH B 13 -7.176 -11.719 5.241 1.00 0.00 H HETATM 178 H2 HOH B 13 -7.877 -12.427 4.102 1.00 0.00 H HETATM 179 O HOH B 14 -0.215 -8.012 4.986 1.00 0.00 O HETATM 180 H1 HOH B 14 0.375 -7.301 5.236 1.00 0.00 H HETATM 181 H2 HOH B 14 0.056 -8.751 5.532 1.00 0.00 H HETATM 182 O HOH B 15 1.536 -10.442 -3.799 1.00 0.00 O HETATM 183 H1 HOH B 15 2.447 -10.338 -3.526 1.00 0.00 H HETATM 184 H2 HOH B 15 1.493 -10.020 -4.657 1.00 0.00 H HETATM 185 O HOH B 16 -3.760 -5.920 -8.515 1.00 0.00 O HETATM 186 H1 HOH B 16 -3.398 -5.033 -8.517 1.00 0.00 H HETATM 187 H2 HOH B 16 -3.358 -6.342 -7.756 1.00 0.00 H HETATM 188 O HOH B 17 -2.693 -9.855 1.082 1.00 0.00 O HETATM 189 H1 HOH B 17 -2.488 -9.862 0.147 1.00 0.00 H HETATM 190 H2 HOH B 17 -2.003 -9.320 1.475 1.00 0.00 H HETATM 191 O HOH B 18 6.678 -8.152 -7.878 1.00 0.00 O HETATM 192 H1 HOH B 18 6.086 -8.263 -8.622 1.00 0.00 H HETATM 193 H2 HOH B 18 6.982 -7.247 -7.947 1.00 0.00 H HETATM 194 O HOH B 19 6.849 9.206 3.500 1.00 0.00 O HETATM 195 H1 HOH B 19 7.332 9.528 4.261 1.00 0.00 H HETATM 196 H2 HOH B 19 7.527 8.964 2.870 1.00 0.00 H HETATM 197 O HOH B 20 -6.563 -7.490 0.689 1.00 0.00 O HETATM 198 H1 HOH B 20 -6.786 -6.686 0.219 1.00 0.00 H HETATM 199 H2 HOH B 20 -5.944 -7.941 0.115 1.00 0.00 H HETATM 200 O HOH B 21 0.862 -6.872 10.573 1.00 0.00 O HETATM 201 H1 HOH B 21 1.480 -7.063 11.279 1.00 0.00 H HETATM 202 H2 HOH B 21 1.342 -7.082 9.772 1.00 0.00 H HETATM 203 O HOH B 22 2.392 6.752 -4.198 1.00 0.00 O HETATM 204 H1 HOH B 22 2.263 5.812 -4.323 1.00 0.00 H HETATM 205 H2 HOH B 22 2.032 7.151 -4.990 1.00 0.00 H HETATM 206 O HOH B 23 -6.306 1.397 -4.615 1.00 0.00 O HETATM 207 H1 HOH B 23 -6.233 0.447 -4.519 1.00 0.00 H HETATM 208 H2 HOH B 23 -6.945 1.656 -3.951 1.00 0.00 H HETATM 209 O HOH B 24 -6.524 6.577 1.057 1.00 0.00 O HETATM 210 H1 HOH B 24 -7.057 5.994 1.598 1.00 0.00 H HETATM 211 H2 HOH B 24 -5.838 6.892 1.647 1.00 0.00 H HETATM 212 O HOH B 25 2.146 5.045 -6.932 1.00 0.00 O HETATM 213 H1 HOH B 25 2.321 4.580 -7.750 1.00 0.00 H HETATM 214 H2 HOH B 25 2.584 4.523 -6.260 1.00 0.00 H HETATM 215 O HOH B 26 -6.602 -11.097 -6.482 1.00 0.00 O HETATM 216 H1 HOH B 26 -6.426 -12.011 -6.257 1.00 0.00 H HETATM 217 H2 HOH B 26 -6.436 -10.614 -5.672 1.00 0.00 H HETATM 218 O HOH B 27 -2.022 10.663 -5.937 1.00 0.00 O HETATM 219 H1 HOH B 27 -1.845 10.139 -5.156 1.00 0.00 H HETATM 220 H2 HOH B 27 -1.221 10.597 -6.457 1.00 0.00 H HETATM 221 O HOH B 28 -0.632 -7.785 -5.019 1.00 0.00 O HETATM 222 H1 HOH B 28 -0.605 -8.054 -4.101 1.00 0.00 H HETATM 223 H2 HOH B 28 0.157 -8.165 -5.404 1.00 0.00 H HETATM 224 O HOH B 29 -8.405 -7.943 -1.758 1.00 0.00 O HETATM 225 H1 HOH B 29 -7.812 -8.223 -2.456 1.00 0.00 H HETATM 226 H2 HOH B 29 -9.141 -7.537 -2.217 1.00 0.00 H HETATM 227 O HOH B 30 -1.445 -8.169 -10.454 1.00 0.00 O HETATM 228 H1 HOH B 30 -1.200 -7.249 -10.552 1.00 0.00 H HETATM 229 H2 HOH B 30 -0.618 -8.646 -10.517 1.00 0.00 H HETATM 230 O HOH B 31 -8.227 -0.672 5.665 1.00 0.00 O HETATM 231 H1 HOH B 31 -8.691 -1.152 6.352 1.00 0.00 H HETATM 232 H2 HOH B 31 -8.225 0.236 5.967 1.00 0.00 H HETATM 233 O HOH B 32 0.662 -1.876 -9.602 1.00 0.00 O HETATM 234 H1 HOH B 32 0.736 -2.785 -9.312 1.00 0.00 H HETATM 235 H2 HOH B 32 1.546 -1.521 -9.510 1.00 0.00 H HETATM 236 O HOH B 33 -2.358 0.465 -10.111 1.00 0.00 O HETATM 237 H1 HOH B 33 -1.604 0.991 -10.379 1.00 0.00 H HETATM 238 H2 HOH B 33 -2.040 -0.051 -9.371 1.00 0.00 H HETATM 239 O HOH B 34 2.781 8.262 -1.923 1.00 0.00 O HETATM 240 H1 HOH B 34 2.507 7.875 -2.754 1.00 0.00 H HETATM 241 H2 HOH B 34 3.318 7.586 -1.509 1.00 0.00 H HETATM 242 O HOH B 35 8.445 -0.056 -2.328 1.00 0.00 O HETATM 243 H1 HOH B 35 8.027 0.798 -2.220 1.00 0.00 H HETATM 244 H2 HOH B 35 9.383 0.131 -2.305 1.00 0.00 H HETATM 245 O HOH B 36 -2.142 0.300 6.816 1.00 0.00 O HETATM 246 H1 HOH B 36 -1.485 0.157 6.135 1.00 0.00 H HETATM 247 H2 HOH B 36 -1.696 0.072 7.632 1.00 0.00 H HETATM 248 O HOH B 37 -2.880 -3.270 -8.784 1.00 0.00 O HETATM 249 H1 HOH B 37 -2.495 -3.274 -9.660 1.00 0.00 H HETATM 250 H2 HOH B 37 -2.475 -2.521 -8.347 1.00 0.00 H HETATM 251 O HOH B 38 -7.329 2.233 11.246 1.00 0.00 O HETATM 252 H1 HOH B 38 -7.637 2.883 11.879 1.00 0.00 H HETATM 253 H2 HOH B 38 -6.433 2.037 11.520 1.00 0.00 H HETATM 254 O HOH B 39 -9.130 2.689 1.982 1.00 0.00 O HETATM 255 H1 HOH B 39 -8.591 3.407 2.314 1.00 0.00 H HETATM 256 H2 HOH B 39 -9.952 2.762 2.467 1.00 0.00 H HETATM 257 O HOH B 40 -2.662 -9.832 -1.733 1.00 0.00 O HETATM 258 H1 HOH B 40 -1.833 -9.442 -2.009 1.00 0.00 H HETATM 259 H2 HOH B 40 -2.883 -10.446 -2.433 1.00 0.00 H HETATM 260 O HOH B 41 -6.472 -6.184 8.321 1.00 0.00 O HETATM 261 H1 HOH B 41 -6.069 -6.263 9.186 1.00 0.00 H HETATM 262 H2 HOH B 41 -6.160 -5.342 7.988 1.00 0.00 H HETATM 263 O HOH B 42 3.401 -3.002 9.083 1.00 0.00 O HETATM 264 H1 HOH B 42 2.475 -3.062 8.849 1.00 0.00 H HETATM 265 H2 HOH B 42 3.653 -3.900 9.296 1.00 0.00 H HETATM 266 O HOH B 43 4.809 -8.333 6.013 1.00 0.00 O HETATM 267 H1 HOH B 43 5.448 -7.722 6.380 1.00 0.00 H HETATM 268 H2 HOH B 43 4.089 -8.335 6.643 1.00 0.00 H HETATM 269 O HOH B 44 8.437 -3.519 6.096 1.00 0.00 O HETATM 270 H1 HOH B 44 7.504 -3.682 6.230 1.00 0.00 H HETATM 271 H2 HOH B 44 8.742 -3.168 6.933 1.00 0.00 H HETATM 272 O HOH B 45 -5.105 3.529 -9.986 1.00 0.00 O HETATM 273 H1 HOH B 45 -5.150 2.580 -9.878 1.00 0.00 H HETATM 274 H2 HOH B 45 -4.256 3.683 -10.402 1.00 0.00 H HETATM 275 O HOH B 46 -2.952 -7.663 -6.468 1.00 0.00 O HETATM 276 H1 HOH B 46 -2.155 -7.714 -5.941 1.00 0.00 H HETATM 277 H2 HOH B 46 -2.879 -8.392 -7.085 1.00 0.00 H HETATM 278 O HOH B 47 -0.777 -5.026 9.216 1.00 0.00 O HETATM 279 H1 HOH B 47 -0.149 -4.655 8.598 1.00 0.00 H HETATM 280 H2 HOH B 47 -0.272 -5.669 9.714 1.00 0.00 H HETATM 281 O HOH B 48 7.919 5.148 -4.905 1.00 0.00 O HETATM 282 H1 HOH B 48 8.686 5.121 -5.478 1.00 0.00 H HETATM 283 H2 HOH B 48 7.174 5.200 -5.504 1.00 0.00 H HETATM 284 O HOH B 49 -7.810 0.856 0.369 1.00 0.00 O HETATM 285 H1 HOH B 49 -8.253 1.392 1.028 1.00 0.00 H HETATM 286 H2 HOH B 49 -7.675 1.448 -0.370 1.00 0.00 H HETATM 287 O HOH B 50 -7.736 -10.987 -1.071 1.00 0.00 O HETATM 288 H1 HOH B 50 -7.417 -10.648 -1.908 1.00 0.00 H HETATM 289 H2 HOH B 50 -7.821 -11.930 -1.210 1.00 0.00 H HETATM 290 O HOH B 51 -9.496 3.246 -0.710 1.00 0.00 O HETATM 291 H1 HOH B 51 -9.511 3.071 0.231 1.00 0.00 H HETATM 292 H2 HOH B 51 -9.773 4.158 -0.789 1.00 0.00 H HETATM 293 O HOH B 52 -3.852 2.604 -7.264 1.00 0.00 O HETATM 294 H1 HOH B 52 -3.752 2.717 -6.318 1.00 0.00 H HETATM 295 H2 HOH B 52 -3.242 3.235 -7.646 1.00 0.00 H HETATM 296 O HOH B 53 -3.530 4.597 5.301 1.00 0.00 O HETATM 297 H1 HOH B 53 -3.742 3.734 5.656 1.00 0.00 H HETATM 298 H2 HOH B 53 -2.634 4.509 4.976 1.00 0.00 H HETATM 299 O HOH B 54 -4.326 -8.608 2.985 1.00 0.00 O HETATM 300 H1 HOH B 54 -3.749 -9.019 2.341 1.00 0.00 H HETATM 301 H2 HOH B 54 -3.743 -8.349 3.699 1.00 0.00 H HETATM 302 O HOH B 55 -0.068 10.265 -7.904 1.00 0.00 O HETATM 303 H1 HOH B 55 -0.236 9.647 -8.617 1.00 0.00 H HETATM 304 H2 HOH B 55 0.836 10.547 -8.039 1.00 0.00 H HETATM 305 O HOH B 56 -8.063 9.449 7.308 1.00 0.00 O HETATM 306 H1 HOH B 56 -7.491 9.331 6.550 1.00 0.00 H HETATM 307 H2 HOH B 56 -8.755 8.799 7.190 1.00 0.00 H HETATM 308 O HOH B 57 5.676 -3.028 -5.767 1.00 0.00 O HETATM 309 H1 HOH B 57 6.106 -2.639 -5.005 1.00 0.00 H HETATM 310 H2 HOH B 57 6.110 -3.874 -5.882 1.00 0.00 H HETATM 311 O HOH B 58 -6.607 2.906 -6.919 1.00 0.00 O HETATM 312 H1 HOH B 58 -5.717 2.843 -7.266 1.00 0.00 H HETATM 313 H2 HOH B 58 -6.615 2.309 -6.170 1.00 0.00 H HETATM 314 O HOH B 59 3.070 -0.637 -8.770 1.00 0.00 O HETATM 315 H1 HOH B 59 3.790 -0.575 -8.141 1.00 0.00 H HETATM 316 H2 HOH B 59 2.399 -0.048 -8.425 1.00 0.00 H HETATM 317 O HOH B 60 -2.867 6.758 10.544 1.00 0.00 O HETATM 318 H1 HOH B 60 -3.063 5.822 10.498 1.00 0.00 H HETATM 319 H2 HOH B 60 -1.948 6.823 10.283 1.00 0.00 H HETATM 320 O HOH B 61 -3.050 7.296 -8.490 1.00 0.00 O HETATM 321 H1 HOH B 61 -3.894 6.845 -8.519 1.00 0.00 H HETATM 322 H2 HOH B 61 -3.265 8.189 -8.218 1.00 0.00 H HETATM 323 O HOH B 62 1.716 -8.908 -6.133 1.00 0.00 O HETATM 324 H1 HOH B 62 2.252 -8.328 -6.674 1.00 0.00 H HETATM 325 H2 HOH B 62 1.078 -9.282 -6.741 1.00 0.00 H HETATM 326 O HOH B 63 -4.472 3.706 -1.928 1.00 0.00 O HETATM 327 H1 HOH B 63 -4.698 4.577 -1.602 1.00 0.00 H HETATM 328 H2 HOH B 63 -4.374 3.172 -1.139 1.00 0.00 H HETATM 329 O HOH B 64 -1.462 -3.097 -11.162 1.00 0.00 O HETATM 330 H1 HOH B 64 -1.783 -2.862 -12.032 1.00 0.00 H HETATM 331 H2 HOH B 64 -0.831 -2.410 -10.945 1.00 0.00 H HETATM 332 O HOH B 65 1.441 7.910 7.320 1.00 0.00 O HETATM 333 H1 HOH B 65 0.772 7.603 7.931 1.00 0.00 H HETATM 334 H2 HOH B 65 1.132 7.624 6.461 1.00 0.00 H HETATM 335 O HOH B 66 2.354 -5.799 -4.170 1.00 0.00 O HETATM 336 H1 HOH B 66 2.932 -6.096 -4.873 1.00 0.00 H HETATM 337 H2 HOH B 66 2.666 -6.261 -3.392 1.00 0.00 H HETATM 338 O HOH B 67 -8.482 -11.757 -4.033 1.00 0.00 O HETATM 339 H1 HOH B 67 -7.908 -12.519 -3.950 1.00 0.00 H HETATM 340 H2 HOH B 67 -7.893 -11.005 -3.975 1.00 0.00 H HETATM 341 O HOH B 68 -8.287 2.260 -2.914 1.00 0.00 O HETATM 342 H1 HOH B 68 -8.963 2.088 -3.570 1.00 0.00 H HETATM 343 H2 HOH B 68 -8.774 2.515 -2.130 1.00 0.00 H HETATM 344 O HOH B 69 -5.824 0.251 7.810 1.00 0.00 O HETATM 345 H1 HOH B 69 -5.481 1.070 7.450 1.00 0.00 H HETATM 346 H2 HOH B 69 -5.416 -0.433 7.279 1.00 0.00 H HETATM 347 O HOH B 70 -7.198 -10.088 2.083 1.00 0.00 O HETATM 348 H1 HOH B 70 -7.446 -10.602 2.851 1.00 0.00 H HETATM 349 H2 HOH B 70 -6.442 -10.549 1.718 1.00 0.00 H HETATM 350 O HOH B 71 7.949 -10.460 2.716 1.00 0.00 O HETATM 351 H1 HOH B 71 8.212 -11.011 3.454 1.00 0.00 H HETATM 352 H2 HOH B 71 7.898 -9.577 3.082 1.00 0.00 H HETATM 353 O HOH B 72 -0.405 4.742 -5.899 1.00 0.00 O HETATM 354 H1 HOH B 72 -0.754 5.514 -5.454 1.00 0.00 H HETATM 355 H2 HOH B 72 0.441 5.026 -6.245 1.00 0.00 H HETATM 356 O HOH B 73 -7.610 4.233 -10.748 1.00 0.00 O HETATM 357 H1 HOH B 73 -6.716 3.941 -10.566 1.00 0.00 H HETATM 358 H2 HOH B 73 -7.585 5.180 -10.610 1.00 0.00 H HETATM 359 O HOH B 74 -5.210 -9.114 -1.016 1.00 0.00 O HETATM 360 H1 HOH B 74 -4.273 -9.231 -1.173 1.00 0.00 H HETATM 361 H2 HOH B 74 -5.603 -9.123 -1.889 1.00 0.00 H HETATM 362 O HOH B 75 0.275 3.001 6.307 1.00 0.00 O HETATM 363 H1 HOH B 75 0.801 2.554 6.971 1.00 0.00 H HETATM 364 H2 HOH B 75 0.521 2.580 5.484 1.00 0.00 H HETATM 365 O HOH B 76 2.709 -7.439 -11.450 1.00 0.00 O HETATM 366 H1 HOH B 76 2.792 -6.673 -10.882 1.00 0.00 H HETATM 367 H2 HOH B 76 3.595 -7.797 -11.501 1.00 0.00 H HETATM 368 O HOH B 77 -6.967 -0.995 -8.864 1.00 0.00 O HETATM 369 H1 HOH B 77 -7.791 -0.537 -9.030 1.00 0.00 H HETATM 370 H2 HOH B 77 -6.291 -0.331 -8.999 1.00 0.00 H HETATM 371 O HOH B 78 6.990 0.128 3.839 1.00 0.00 O HETATM 372 H1 HOH B 78 6.652 0.895 3.377 1.00 0.00 H HETATM 373 H2 HOH B 78 6.800 0.300 4.761 1.00 0.00 H HETATM 374 O HOH B 79 -1.376 -1.052 -7.961 1.00 0.00 O HETATM 375 H1 HOH B 79 -1.095 -0.916 -7.056 1.00 0.00 H HETATM 376 H2 HOH B 79 -0.577 -1.307 -8.424 1.00 0.00 H HETATM 377 O HOH B 80 3.322 7.069 3.555 1.00 0.00 O HETATM 378 H1 HOH B 80 3.676 6.213 3.314 1.00 0.00 H HETATM 379 H2 HOH B 80 3.671 7.668 2.895 1.00 0.00 H HETATM 380 O HOH B 81 -5.542 -7.204 -5.808 1.00 0.00 O HETATM 381 H1 HOH B 81 -5.760 -7.850 -5.135 1.00 0.00 H HETATM 382 H2 HOH B 81 -4.620 -7.367 -6.007 1.00 0.00 H HETATM 383 O HOH B 82 8.261 3.477 -8.370 1.00 0.00 O HETATM 384 H1 HOH B 82 8.216 4.277 -8.894 1.00 0.00 H HETATM 385 H2 HOH B 82 7.351 3.192 -8.289 1.00 0.00 H HETATM 386 O HOH B 83 5.378 -0.734 -7.265 1.00 0.00 O HETATM 387 H1 HOH B 83 6.021 -0.222 -6.775 1.00 0.00 H HETATM 388 H2 HOH B 83 5.367 -1.586 -6.829 1.00 0.00 H HETATM 389 O HOH B 84 -5.663 6.335 -1.532 1.00 0.00 O HETATM 390 H1 HOH B 84 -5.949 6.398 -0.620 1.00 0.00 H HETATM 391 H2 HOH B 84 -6.375 5.874 -1.975 1.00 0.00 H HETATM 392 O HOH B 85 -5.244 10.344 2.234 1.00 0.00 O HETATM 393 H1 HOH B 85 -4.790 10.666 3.013 1.00 0.00 H HETATM 394 H2 HOH B 85 -5.196 11.070 1.612 1.00 0.00 H HETATM 395 O HOH B 86 -4.902 0.840 -9.110 1.00 0.00 O HETATM 396 H1 HOH B 86 -4.523 1.314 -8.370 1.00 0.00 H HETATM 397 H2 HOH B 86 -4.150 0.601 -9.652 1.00 0.00 H HETATM 398 O HOH B 87 4.391 -5.827 -5.912 1.00 0.00 O HETATM 399 H1 HOH B 87 5.332 -5.902 -5.753 1.00 0.00 H HETATM 400 H2 HOH B 87 4.219 -6.439 -6.629 1.00 0.00 H HETATM 401 O HOH B 88 4.693 -1.203 7.408 1.00 0.00 O HETATM 402 H1 HOH B 88 4.102 -1.730 7.945 1.00 0.00 H HETATM 403 H2 HOH B 88 4.675 -0.336 7.811 1.00 0.00 H HETATM 404 O HOH B 89 3.062 -5.419 6.201 1.00 0.00 O HETATM 405 H1 HOH B 89 3.885 -5.036 6.505 1.00 0.00 H HETATM 406 H2 HOH B 89 2.921 -6.171 6.777 1.00 0.00 H HETATM 407 O HOH B 90 -5.577 -3.265 -8.137 1.00 0.00 O HETATM 408 H1 HOH B 90 -4.652 -3.244 -8.385 1.00 0.00 H HETATM 409 H2 HOH B 90 -5.935 -2.444 -8.473 1.00 0.00 H HETATM 410 O HOH B 91 -5.824 -3.660 7.544 1.00 0.00 O HETATM 411 H1 HOH B 91 -5.505 -3.369 8.398 1.00 0.00 H HETATM 412 H2 HOH B 91 -5.040 -3.704 6.997 1.00 0.00 H HETATM 413 O HOH B 92 -6.975 -4.962 -6.611 1.00 0.00 O HETATM 414 H1 HOH B 92 -6.357 -4.412 -7.092 1.00 0.00 H HETATM 415 H2 HOH B 92 -6.445 -5.687 -6.281 1.00 0.00 H HETATM 416 O HOH B 93 7.139 7.204 10.468 1.00 0.00 O HETATM 417 H1 HOH B 93 6.533 7.942 10.403 1.00 0.00 H HETATM 418 H2 HOH B 93 7.068 6.759 9.623 1.00 0.00 H HETATM 419 O HOH B 94 6.624 0.600 6.498 1.00 0.00 O HETATM 420 H1 HOH B 94 6.152 -0.227 6.594 1.00 0.00 H HETATM 421 H2 HOH B 94 6.223 1.181 7.145 1.00 0.00 H HETATM 422 O HOH B 95 4.904 1.364 8.545 1.00 0.00 O HETATM 423 H1 HOH B 95 5.244 2.081 9.080 1.00 0.00 H HETATM 424 H2 HOH B 95 3.953 1.432 8.629 1.00 0.00 H HETATM 425 O HOH B 96 3.420 -7.526 -7.910 1.00 0.00 O HETATM 426 H1 HOH B 96 3.917 -8.105 -8.488 1.00 0.00 H HETATM 427 H2 HOH B 96 3.178 -6.784 -8.464 1.00 0.00 H HETATM 428 O HOH B 97 -0.708 -0.378 9.161 1.00 0.00 O HETATM 429 H1 HOH B 97 0.096 0.140 9.139 1.00 0.00 H HETATM 430 H2 HOH B 97 -1.326 0.158 9.660 1.00 0.00 H HETATM 431 O HOH B 98 6.489 -6.451 7.120 1.00 0.00 O HETATM 432 H1 HOH B 98 6.639 -6.393 8.064 1.00 0.00 H HETATM 433 H2 HOH B 98 6.275 -5.557 6.856 1.00 0.00 H HETATM 434 O HOH B 99 -0.740 4.764 4.409 1.00 0.00 O HETATM 435 H1 HOH B 99 -0.392 4.297 3.650 1.00 0.00 H HETATM 436 H2 HOH B 99 -0.453 4.247 5.162 1.00 0.00 H HETATM 437 O HOH B 100 7.196 -2.470 2.989 1.00 0.00 O HETATM 438 H1 HOH B 100 7.019 -1.555 3.207 1.00 0.00 H HETATM 439 H2 HOH B 100 6.804 -2.590 2.124 1.00 0.00 H HETATM 440 O HOH B 101 -6.665 9.518 -10.509 1.00 0.00 O HETATM 441 H1 HOH B 101 -6.402 9.647 -9.597 1.00 0.00 H HETATM 442 H2 HOH B 101 -7.504 9.974 -10.583 1.00 0.00 H HETATM 443 O HOH B 102 -10.343 5.429 -10.217 1.00 0.00 O HETATM 444 H1 HOH B 102 -10.271 6.293 -10.623 1.00 0.00 H HETATM 445 H2 HOH B 102 -9.752 4.874 -10.727 1.00 0.00 H HETATM 446 O HOH B 103 -5.546 -6.196 11.064 1.00 0.00 O HETATM 447 H1 HOH B 103 -5.414 -7.118 10.840 1.00 0.00 H HETATM 448 H2 HOH B 103 -5.713 -6.200 12.007 1.00 0.00 H HETATM 449 O HOH B 104 -9.558 0.010 -9.123 1.00 0.00 O HETATM 450 H1 HOH B 104 -10.434 0.000 -8.736 1.00 0.00 H HETATM 451 H2 HOH B 104 -9.298 0.931 -9.105 1.00 0.00 H HETATM 452 O HOH B 105 7.461 -7.964 3.774 1.00 0.00 O HETATM 453 H1 HOH B 105 7.879 -7.120 3.600 1.00 0.00 H HETATM 454 H2 HOH B 105 6.545 -7.832 3.530 1.00 0.00 H HETATM 455 O HOH B 106 -2.171 -2.792 10.167 1.00 0.00 O HETATM 456 H1 HOH B 106 -1.742 -3.556 9.782 1.00 0.00 H HETATM 457 H2 HOH B 106 -1.757 -2.043 9.739 1.00 0.00 H HETATM 458 O HOH B 107 -9.865 -4.849 1.616 1.00 0.00 O HETATM 459 H1 HOH B 107 -9.935 -3.972 1.992 1.00 0.00 H HETATM 460 H2 HOH B 107 -10.170 -4.748 0.714 1.00 0.00 H HETATM 461 O HOH B 108 -2.856 -9.508 -8.520 1.00 0.00 O HETATM 462 H1 HOH B 108 -3.555 -9.959 -8.994 1.00 0.00 H HETATM 463 H2 HOH B 108 -2.414 -8.983 -9.187 1.00 0.00 H HETATM 464 O HOH B 109 -0.928 -8.979 9.784 1.00 0.00 O HETATM 465 H1 HOH B 109 -0.443 -8.235 10.143 1.00 0.00 H HETATM 466 H2 HOH B 109 -0.272 -9.670 9.691 1.00 0.00 H HETATM 467 O HOH B 110 -7.999 -9.346 10.292 1.00 0.00 O HETATM 468 H1 HOH B 110 -7.058 -9.181 10.357 1.00 0.00 H HETATM 469 H2 HOH B 110 -8.403 -8.628 10.780 1.00 0.00 H HETATM 470 O HOH B 111 -4.291 3.287 -4.626 1.00 0.00 O HETATM 471 H1 HOH B 111 -4.948 2.592 -4.626 1.00 0.00 H HETATM 472 H2 HOH B 111 -4.186 3.519 -3.703 1.00 0.00 H HETATM 473 O HOH B 112 -0.095 -0.330 5.159 1.00 0.00 O HETATM 474 H1 HOH B 112 0.624 -0.684 5.683 1.00 0.00 H HETATM 475 H2 HOH B 112 0.297 0.396 4.673 1.00 0.00 H HETATM 476 O HOH B 113 -4.986 -3.533 10.177 1.00 0.00 O HETATM 477 H1 HOH B 113 -4.989 -4.403 10.576 1.00 0.00 H HETATM 478 H2 HOH B 113 -4.086 -3.224 10.282 1.00 0.00 H HETATM 479 O HOH B 114 1.025 1.147 -8.056 1.00 0.00 O HETATM 480 H1 HOH B 114 1.583 1.835 -8.419 1.00 0.00 H HETATM 481 H2 HOH B 114 0.305 1.068 -8.681 1.00 0.00 H HETATM 482 O HOH B 115 -4.268 -1.205 5.953 1.00 0.00 O HETATM 483 H1 HOH B 115 -3.525 -0.647 6.181 1.00 0.00 H HETATM 484 H2 HOH B 115 -3.945 -2.098 6.072 1.00 0.00 H HETATM 485 O HOH B 116 -4.695 1.855 11.630 1.00 0.00 O HETATM 486 H1 HOH B 116 -4.436 2.569 11.047 1.00 0.00 H HETATM 487 H2 HOH B 116 -3.910 1.313 11.708 1.00 0.00 H HETATM 488 O HOH B 117 7.289 -2.891 -9.164 1.00 0.00 O HETATM 489 H1 HOH B 117 7.787 -2.943 -8.348 1.00 0.00 H HETATM 490 H2 HOH B 117 7.321 -1.965 -9.406 1.00 0.00 H HETATM 491 O HOH B 118 -6.969 5.307 -5.534 1.00 0.00 O HETATM 492 H1 HOH B 118 -6.100 5.707 -5.554 1.00 0.00 H HETATM 493 H2 HOH B 118 -6.882 4.517 -6.067 1.00 0.00 H HETATM 494 O HOH B 119 -5.552 -6.711 4.948 1.00 0.00 O HETATM 495 H1 HOH B 119 -5.409 -5.775 4.810 1.00 0.00 H HETATM 496 H2 HOH B 119 -4.673 -7.075 5.058 1.00 0.00 H HETATM 497 O HOH B 120 2.544 3.931 -4.415 1.00 0.00 O HETATM 498 H1 HOH B 120 2.008 3.160 -4.599 1.00 0.00 H HETATM 499 H2 HOH B 120 2.788 3.839 -3.494 1.00 0.00 H HETATM 500 O HOH B 121 4.080 -10.165 1.896 1.00 0.00 O HETATM 501 H1 HOH B 121 4.853 -10.364 1.367 1.00 0.00 H HETATM 502 H2 HOH B 121 4.332 -9.397 2.409 1.00 0.00 H HETATM 503 O HOH B 122 -7.734 -0.061 9.781 1.00 0.00 O HETATM 504 H1 HOH B 122 -7.600 0.672 10.382 1.00 0.00 H HETATM 505 H2 HOH B 122 -7.061 0.054 9.110 1.00 0.00 H HETATM 506 O HOH B 123 3.894 11.747 -1.937 1.00 0.00 O HETATM 507 H1 HOH B 123 4.724 11.327 -2.160 1.00 0.00 H HETATM 508 H2 HOH B 123 3.978 12.639 -2.275 1.00 0.00 H HETATM 509 O HOH B 124 7.179 4.872 11.912 1.00 0.00 O HETATM 510 H1 HOH B 124 7.450 5.080 12.806 1.00 0.00 H HETATM 511 H2 HOH B 124 7.214 5.709 11.449 1.00 0.00 H HETATM 512 O HOH B 125 -2.437 3.858 -10.596 1.00 0.00 O HETATM 513 H1 HOH B 125 -1.689 3.276 -10.734 1.00 0.00 H HETATM 514 H2 HOH B 125 -2.309 4.207 -9.714 1.00 0.00 H HETATM 515 O HOH B 126 -9.389 -2.095 7.783 1.00 0.00 O HETATM 516 H1 HOH B 126 -9.908 -1.339 8.058 1.00 0.00 H HETATM 517 H2 HOH B 126 -8.869 -2.323 8.554 1.00 0.00 H HETATM 518 O HOH B 127 1.810 8.202 -9.416 1.00 0.00 O HETATM 519 H1 HOH B 127 0.900 8.146 -9.709 1.00 0.00 H HETATM 520 H2 HOH B 127 2.258 7.498 -9.885 1.00 0.00 H HETATM 521 O HOH B 128 3.175 4.362 9.161 1.00 0.00 O HETATM 522 H1 HOH B 128 4.044 4.080 9.447 1.00 0.00 H HETATM 523 H2 HOH B 128 2.740 3.555 8.885 1.00 0.00 H HETATM 524 O HOH B 129 1.063 -9.309 -10.267 1.00 0.00 O HETATM 525 H1 HOH B 129 1.725 -9.923 -9.949 1.00 0.00 H HETATM 526 H2 HOH B 129 1.559 -8.659 -10.765 1.00 0.00 H HETATM 527 O HOH B 130 -10.686 -6.615 7.868 1.00 0.00 O HETATM 528 H1 HOH B 130 -11.607 -6.423 8.044 1.00 0.00 H HETATM 529 H2 HOH B 130 -10.204 -6.032 8.455 1.00 0.00 H HETATM 530 O HOH B 131 0.864 7.024 4.781 1.00 0.00 O HETATM 531 H1 HOH B 131 0.427 6.179 4.673 1.00 0.00 H HETATM 532 H2 HOH B 131 1.733 6.895 4.401 1.00 0.00 H HETATM 533 O HOH B 132 -11.705 -6.858 -0.803 1.00 0.00 O HETATM 534 H1 HOH B 132 -11.377 -6.844 -1.702 1.00 0.00 H HETATM 535 H2 HOH B 132 -12.303 -6.112 -0.754 1.00 0.00 H HETATM 536 O HOH B 133 -2.010 8.183 7.532 1.00 0.00 O HETATM 537 H1 HOH B 133 -1.376 7.764 8.114 1.00 0.00 H HETATM 538 H2 HOH B 133 -2.778 7.612 7.562 1.00 0.00 H HETATM 539 O HOH B 134 -9.701 6.047 -1.331 1.00 0.00 O HETATM 540 H1 HOH B 134 -9.329 6.860 -0.990 1.00 0.00 H HETATM 541 H2 HOH B 134 -9.019 5.690 -1.899 1.00 0.00 H HETATM 542 O HOH B 135 0.623 2.152 -5.514 1.00 0.00 O HETATM 543 H1 HOH B 135 0.821 1.857 -6.403 1.00 0.00 H HETATM 544 H2 HOH B 135 0.141 2.970 -5.634 1.00 0.00 H HETATM 545 O HOH B 136 -9.927 -7.731 1.054 1.00 0.00 O HETATM 546 H1 HOH B 136 -10.645 -7.567 0.443 1.00 0.00 H HETATM 547 H2 HOH B 136 -9.840 -6.914 1.546 1.00 0.00 H HETATM 548 O HOH B 137 -0.307 6.795 9.237 1.00 0.00 O HETATM 549 H1 HOH B 137 -0.490 5.920 8.894 1.00 0.00 H HETATM 550 H2 HOH B 137 0.361 6.654 9.908 1.00 0.00 H HETATM 551 O HOH B 138 0.610 -4.462 -8.609 1.00 0.00 O HETATM 552 H1 HOH B 138 0.083 -4.943 -9.247 1.00 0.00 H HETATM 553 H2 HOH B 138 0.326 -4.801 -7.759 1.00 0.00 H HETATM 554 O HOH B 139 -1.830 6.956 -4.906 1.00 0.00 O HETATM 555 H1 HOH B 139 -2.620 6.573 -5.288 1.00 0.00 H HETATM 556 H2 HOH B 139 -2.154 7.645 -4.326 1.00 0.00 H HETATM 557 O HOH B 140 0.257 -5.386 -6.059 1.00 0.00 O HETATM 558 H1 HOH B 140 0.907 -5.280 -5.364 1.00 0.00 H HETATM 559 H2 HOH B 140 -0.271 -6.134 -5.781 1.00 0.00 H HETATM 560 O HOH B 141 -11.715 8.495 -7.381 1.00 0.00 O HETATM 561 H1 HOH B 141 -10.812 8.669 -7.646 1.00 0.00 H HETATM 562 H2 HOH B 141 -11.855 7.573 -7.597 1.00 0.00 H HETATM 563 O HOH B 142 5.053 8.938 9.711 1.00 0.00 O HETATM 564 H1 HOH B 142 4.385 9.537 10.045 1.00 0.00 H HETATM 565 H2 HOH B 142 4.557 8.226 9.307 1.00 0.00 H HETATM 566 O HOH B 143 -6.033 9.274 5.485 1.00 0.00 O HETATM 567 H1 HOH B 143 -5.294 9.794 5.168 1.00 0.00 H HETATM 568 H2 HOH B 143 -5.709 8.373 5.485 1.00 0.00 H HETATM 569 O HOH B 144 -6.683 9.963 -5.065 1.00 0.00 O HETATM 570 H1 HOH B 144 -6.083 9.585 -4.422 1.00 0.00 H HETATM 571 H2 HOH B 144 -7.541 9.611 -4.830 1.00 0.00 H HETATM 572 O HOH B 145 -9.308 6.465 -6.342 1.00 0.00 O HETATM 573 H1 HOH B 145 -9.737 6.601 -5.497 1.00 0.00 H HETATM 574 H2 HOH B 145 -8.477 6.044 -6.125 1.00 0.00 H HETATM 575 O HOH B 146 -5.353 5.757 -8.395 1.00 0.00 O HETATM 576 H1 HOH B 146 -6.111 6.178 -8.800 1.00 0.00 H HETATM 577 H2 HOH B 146 -5.239 4.943 -8.886 1.00 0.00 H HETATM 578 O HOH B 147 3.837 6.895 8.273 1.00 0.00 O HETATM 579 H1 HOH B 147 3.593 6.014 8.557 1.00 0.00 H HETATM 580 H2 HOH B 147 3.045 7.243 7.864 1.00 0.00 H HETATM 581 O HOH B 148 -3.542 10.001 -8.066 1.00 0.00 O HETATM 582 H1 HOH B 148 -3.043 10.475 -8.731 1.00 0.00 H HETATM 583 H2 HOH B 148 -3.129 10.244 -7.237 1.00 0.00 H HETATM 584 O HOH B 149 -1.900 9.236 4.971 1.00 0.00 O HETATM 585 H1 HOH B 149 -1.797 8.945 5.877 1.00 0.00 H HETATM 586 H2 HOH B 149 -1.955 8.425 4.464 1.00 0.00 H HETATM 587 O HOH B 150 -8.482 8.174 -0.048 1.00 0.00 O HETATM 588 H1 HOH B 150 -9.036 8.404 0.698 1.00 0.00 H HETATM 589 H2 HOH B 150 -7.745 7.701 0.337 1.00 0.00 H HETATM 590 O HOH B 151 -8.680 2.626 -8.719 1.00 0.00 O HETATM 591 H1 HOH B 151 -8.427 3.173 -9.462 1.00 0.00 H HETATM 592 H2 HOH B 151 -7.956 2.713 -8.099 1.00 0.00 H HETATM 593 O HOH B 152 -7.679 5.010 -2.888 1.00 0.00 O HETATM 594 H1 HOH B 152 -7.471 5.206 -3.801 1.00 0.00 H HETATM 595 H2 HOH B 152 -7.733 4.055 -2.854 1.00 0.00 H HETATM 596 O HOH B 153 -11.486 5.578 -7.772 1.00 0.00 O HETATM 597 H1 HOH B 153 -10.700 5.848 -7.297 1.00 0.00 H HETATM 598 H2 HOH B 153 -11.201 5.498 -8.682 1.00 0.00 H HETATM 599 O HOH B 154 -0.273 -8.811 -2.506 1.00 0.00 O HETATM 600 H1 HOH B 154 0.370 -9.444 -2.826 1.00 0.00 H HETATM 601 H2 HOH B 154 0.091 -8.497 -1.679 1.00 0.00 H HETATM 602 O HOH B 155 -0.905 8.295 -9.907 1.00 0.00 O HETATM 603 H1 HOH B 155 -1.565 7.869 -9.359 1.00 0.00 H HETATM 604 H2 HOH B 155 -1.221 8.173 -10.802 1.00 0.00 H HETATM 605 O HOH B 156 -10.943 2.866 -7.169 1.00 0.00 O HETATM 606 H1 HOH B 156 -11.283 3.749 -7.315 1.00 0.00 H HETATM 607 H2 HOH B 156 -10.171 2.810 -7.731 1.00 0.00 H HETATM 608 O HOH B 157 -4.062 2.260 6.713 1.00 0.00 O HETATM 609 H1 HOH B 157 -3.982 2.722 7.547 1.00 0.00 H HETATM 610 H2 HOH B 157 -3.366 1.603 6.735 1.00 0.00 H HETATM 611 O HOH B 158 -7.791 10.144 -1.843 1.00 0.00 O HETATM 612 H1 HOH B 158 -8.044 9.548 -1.138 1.00 0.00 H HETATM 613 H2 HOH B 158 -8.365 9.910 -2.572 1.00 0.00 H HETATM 614 O HOH B 159 -7.761 9.833 3.364 1.00 0.00 O HETATM 615 H1 HOH B 159 -7.056 9.959 2.729 1.00 0.00 H HETATM 616 H2 HOH B 159 -7.330 9.454 4.129 1.00 0.00 H HETATM 617 O HOH B 160 4.926 -8.853 -9.909 1.00 0.00 O HETATM 618 H1 HOH B 160 5.433 -9.016 -10.705 1.00 0.00 H HETATM 619 H2 HOH B 160 4.379 -9.632 -9.809 1.00 0.00 H HETATM 620 O HOH B 161 -11.426 3.929 3.116 1.00 0.00 O HETATM 621 H1 HOH B 161 -12.371 3.871 3.259 1.00 0.00 H HETATM 622 H2 HOH B 161 -11.320 4.657 2.504 1.00 0.00 H HETATM 623 O HOH B 162 -1.142 -8.063 2.413 1.00 0.00 O HETATM 624 H1 HOH B 162 -0.777 -8.158 3.293 1.00 0.00 H HETATM 625 H2 HOH B 162 -0.977 -7.148 2.183 1.00 0.00 H HETATM 626 O HOH B 163 -8.245 6.175 5.286 1.00 0.00 O HETATM 627 H1 HOH B 163 -8.671 6.561 6.051 1.00 0.00 H HETATM 628 H2 HOH B 163 -7.308 6.261 5.463 1.00 0.00 H HETATM 629 O HOH B 164 -9.172 9.221 -4.095 1.00 0.00 O HETATM 630 H1 HOH B 164 -9.563 8.351 -4.012 1.00 0.00 H HETATM 631 H2 HOH B 164 -9.863 9.758 -4.483 1.00 0.00 H HETATM 632 O HOH B 165 3.154 10.031 7.105 1.00 0.00 O HETATM 633 H1 HOH B 165 3.745 9.637 6.463 1.00 0.00 H HETATM 634 H2 HOH B 165 2.446 9.394 7.202 1.00 0.00 H HETATM 635 O HOH B 166 -5.431 8.850 -2.782 1.00 0.00 O HETATM 636 H1 HOH B 166 -6.112 9.320 -2.301 1.00 0.00 H HETATM 637 H2 HOH B 166 -5.432 7.971 -2.403 1.00 0.00 H HETATM 638 O HOH B 167 -2.175 4.694 -7.998 1.00 0.00 O HETATM 639 H1 HOH B 167 -2.347 5.629 -8.108 1.00 0.00 H HETATM 640 H2 HOH B 167 -1.519 4.651 -7.302 1.00 0.00 H HETATM 641 O HOH B 168 -0.161 -9.789 -7.808 1.00 0.00 O HETATM 642 H1 HOH B 168 -1.100 -9.951 -7.900 1.00 0.00 H HETATM 643 H2 HOH B 168 0.155 -9.691 -8.706 1.00 0.00 H HETATM 644 O HOH B 169 -9.095 -10.646 -7.684 1.00 0.00 O HETATM 645 H1 HOH B 169 -8.255 -10.929 -7.324 1.00 0.00 H HETATM 646 H2 HOH B 169 -9.733 -10.867 -7.006 1.00 0.00 H HETATM 647 O HOH B 170 -2.738 9.069 -3.432 1.00 0.00 O HETATM 648 H1 HOH B 170 -3.685 9.024 -3.295 1.00 0.00 H HETATM 649 H2 HOH B 170 -2.414 9.584 -2.693 1.00 0.00 H HETATM 650 O HOH B 171 -4.663 7.660 2.784 1.00 0.00 O HETATM 651 H1 HOH B 171 -3.722 7.488 2.827 1.00 0.00 H HETATM 652 H2 HOH B 171 -4.728 8.567 2.486 1.00 0.00 H HETATM 653 O HOH B 172 1.316 -10.097 1.714 1.00 0.00 O HETATM 654 H1 HOH B 172 2.247 -10.298 1.809 1.00 0.00 H HETATM 655 H2 HOH B 172 0.937 -10.309 2.568 1.00 0.00 H HETATM 656 O HOH B 173 2.125 9.747 0.994 1.00 0.00 O HETATM 657 H1 HOH B 173 1.460 9.571 1.661 1.00 0.00 H HETATM 658 H2 HOH B 173 2.949 9.483 1.402 1.00 0.00 H HETATM 659 O HOH B 174 -6.299 -12.041 6.853 1.00 0.00 O HETATM 660 H1 HOH B 174 -6.160 -12.978 6.713 1.00 0.00 H HETATM 661 H2 HOH B 174 -6.757 -11.990 7.692 1.00 0.00 H HETATM 662 O HOH B 175 4.699 1.031 -10.368 1.00 0.00 O HETATM 663 H1 HOH B 175 4.207 1.835 -10.535 1.00 0.00 H HETATM 664 H2 HOH B 175 4.040 0.404 -10.072 1.00 0.00 H HETATM 665 O HOH B 176 -2.152 1.596 10.344 1.00 0.00 O HETATM 666 H1 HOH B 176 -1.410 2.115 10.654 1.00 0.00 H HETATM 667 H2 HOH B 176 -2.749 2.237 9.958 1.00 0.00 H HETATM 668 O HOH B 177 7.644 2.423 -4.449 1.00 0.00 O HETATM 669 H1 HOH B 177 7.773 3.352 -4.640 1.00 0.00 H HETATM 670 H2 HOH B 177 7.467 2.393 -3.509 1.00 0.00 H HETATM 671 O HOH B 178 -5.379 6.565 5.198 1.00 0.00 O HETATM 672 H1 HOH B 178 -5.255 6.878 4.303 1.00 0.00 H HETATM 673 H2 HOH B 178 -4.819 5.791 5.262 1.00 0.00 H HETATM 674 O HOH B 179 -5.655 -7.024 -10.069 1.00 0.00 O HETATM 675 H1 HOH B 179 -4.981 -6.545 -9.586 1.00 0.00 H HETATM 676 H2 HOH B 179 -5.913 -7.734 -9.480 1.00 0.00 H HETATM 677 O HOH B 180 7.364 2.400 -1.724 1.00 0.00 O HETATM 678 H1 HOH B 180 6.515 2.303 -1.292 1.00 0.00 H HETATM 679 H2 HOH B 180 7.873 2.952 -1.130 1.00 0.00 H HETATM 680 O HOH B 181 -10.655 5.953 1.391 1.00 0.00 O HETATM 681 H1 HOH B 181 -10.636 6.868 1.669 1.00 0.00 H HETATM 682 H2 HOH B 181 -10.604 5.991 0.435 1.00 0.00 H HETATM 683 O HOH B 182 0.302 9.099 3.035 1.00 0.00 O HETATM 684 H1 HOH B 182 -0.342 9.610 3.524 1.00 0.00 H HETATM 685 H2 HOH B 182 0.632 8.461 3.668 1.00 0.00 H HETATM 686 O HOH B 183 0.160 9.035 -4.783 1.00 0.00 O HETATM 687 H1 HOH B 183 0.718 8.845 -5.538 1.00 0.00 H HETATM 688 H2 HOH B 183 -0.459 8.305 -4.752 1.00 0.00 H HETATM 689 O HOH B 184 -8.035 -6.237 -8.789 1.00 0.00 O HETATM 690 H1 HOH B 184 -7.276 -6.337 -9.364 1.00 0.00 H HETATM 691 H2 HOH B 184 -7.718 -5.698 -8.065 1.00 0.00 H HETATM 692 O HOH B 185 5.373 11.348 -7.528 1.00 0.00 O HETATM 693 H1 HOH B 185 4.815 11.944 -7.028 1.00 0.00 H HETATM 694 H2 HOH B 185 6.116 11.887 -7.800 1.00 0.00 H HETATM 695 O HOH B 186 -11.820 -8.699 -5.105 1.00 0.00 O HETATM 696 H1 HOH B 186 -11.377 -9.538 -5.231 1.00 0.00 H HETATM 697 H2 HOH B 186 -12.704 -8.934 -4.822 1.00 0.00 H HETATM 698 O HOH B 187 3.153 11.256 9.606 1.00 0.00 O HETATM 699 H1 HOH B 187 2.943 10.771 8.808 1.00 0.00 H HETATM 700 H2 HOH B 187 3.939 11.755 9.385 1.00 0.00 H HETATM 701 O HOH B 188 -6.975 3.184 8.681 1.00 0.00 O HETATM 702 H1 HOH B 188 -7.111 2.724 9.510 1.00 0.00 H HETATM 703 H2 HOH B 188 -6.039 3.384 8.669 1.00 0.00 H HETATM 704 O HOH B 189 0.125 3.132 10.704 1.00 0.00 O HETATM 705 H1 HOH B 189 0.774 2.566 10.286 1.00 0.00 H HETATM 706 H2 HOH B 189 -0.255 3.635 9.984 1.00 0.00 H HETATM 707 O HOH B 190 1.500 5.574 10.940 1.00 0.00 O HETATM 708 H1 HOH B 190 1.027 4.789 11.216 1.00 0.00 H HETATM 709 H2 HOH B 190 2.168 5.251 10.334 1.00 0.00 H HETATM 710 O HOH B 191 -7.370 6.892 -10.040 1.00 0.00 O HETATM 711 H1 HOH B 191 -8.290 7.134 -10.153 1.00 0.00 H HETATM 712 H2 HOH B 191 -6.882 7.670 -10.310 1.00 0.00 H HETATM 713 O HOH B 192 -1.951 7.067 3.221 1.00 0.00 O HETATM 714 H1 HOH B 192 -1.679 6.235 3.610 1.00 0.00 H HETATM 715 H2 HOH B 192 -1.176 7.376 2.752 1.00 0.00 H HETATM 716 O HOH B 193 -3.323 -8.604 8.504 1.00 0.00 O HETATM 717 H1 HOH B 193 -3.176 -7.713 8.187 1.00 0.00 H HETATM 718 H2 HOH B 193 -2.499 -8.849 8.923 1.00 0.00 H HETATM 719 O HOH B 194 -6.233 9.601 -7.747 1.00 0.00 O HETATM 720 H1 HOH B 194 -5.294 9.725 -7.885 1.00 0.00 H HETATM 721 H2 HOH B 194 -6.353 9.707 -6.803 1.00 0.00 H HETATM 722 O HOH B 195 -9.264 10.478 -9.943 1.00 0.00 O HETATM 723 H1 HOH B 195 -9.252 9.955 -9.142 1.00 0.00 H HETATM 724 H2 HOH B 195 -9.478 11.364 -9.649 1.00 0.00 H HETATM 725 O HOH B 196 -8.919 7.819 10.226 1.00 0.00 O HETATM 726 H1 HOH B 196 -8.728 6.883 10.161 1.00 0.00 H HETATM 727 H2 HOH B 196 -8.062 8.243 10.183 1.00 0.00 H HETATM 728 O HOH B 197 1.290 -10.613 9.419 1.00 0.00 O HETATM 729 H1 HOH B 197 1.847 -11.353 9.660 1.00 0.00 H HETATM 730 H2 HOH B 197 1.903 -9.898 9.248 1.00 0.00 H HETATM 731 O HOH B 198 -4.385 6.769 7.858 1.00 0.00 O HETATM 732 H1 HOH B 198 -4.786 6.655 6.996 1.00 0.00 H HETATM 733 H2 HOH B 198 -4.253 5.878 8.181 1.00 0.00 H HETATM 734 O HOH B 199 6.459 5.856 8.146 1.00 0.00 O HETATM 735 H1 HOH B 199 6.898 5.773 7.300 1.00 0.00 H HETATM 736 H2 HOH B 199 5.634 6.298 7.946 1.00 0.00 H HETATM 737 O HOH B 200 0.807 -9.819 6.712 1.00 0.00 O HETATM 738 H1 HOH B 200 0.653 -10.450 7.415 1.00 0.00 H HETATM 739 H2 HOH B 200 1.427 -9.191 7.083 1.00 0.00 H HETATM 740 O HOH B 201 -3.443 9.753 9.312 1.00 0.00 O HETATM 741 H1 HOH B 201 -2.834 9.437 8.645 1.00 0.00 H HETATM 742 H2 HOH B 201 -3.148 10.643 9.505 1.00 0.00 H HETATM 743 O HOH B 202 4.396 -3.131 -9.147 1.00 0.00 O HETATM 744 H1 HOH B 202 5.350 -3.080 -9.208 1.00 0.00 H HETATM 745 H2 HOH B 202 4.097 -2.236 -9.306 1.00 0.00 H HETATM 746 O HOH B 203 1.669 7.685 -6.699 1.00 0.00 O HETATM 747 H1 HOH B 203 1.707 8.128 -7.547 1.00 0.00 H HETATM 748 H2 HOH B 203 1.878 6.772 -6.895 1.00 0.00 H HETATM 749 O HOH B 204 -3.955 -8.917 -11.276 1.00 0.00 O HETATM 750 H1 HOH B 204 -3.036 -8.670 -11.171 1.00 0.00 H HETATM 751 H2 HOH B 204 -4.444 -8.193 -10.885 1.00 0.00 H HETATM 752 O HOH B 205 -7.629 -11.951 9.309 1.00 0.00 O HETATM 753 H1 HOH B 205 -7.720 -11.098 9.733 1.00 0.00 H HETATM 754 H2 HOH B 205 -8.528 -12.252 9.180 1.00 0.00 H HETATM 755 O HOH B 206 5.733 -5.206 2.308 1.00 0.00 O HETATM 756 H1 HOH B 206 5.768 -4.440 1.735 1.00 0.00 H HETATM 757 H2 HOH B 206 4.855 -5.181 2.688 1.00 0.00 H HETATM 758 O HOH B 207 10.482 -3.139 1.984 1.00 0.00 O HETATM 759 H1 HOH B 207 10.465 -2.226 1.696 1.00 0.00 H HETATM 760 H2 HOH B 207 10.669 -3.638 1.189 1.00 0.00 H HETATM 761 O HOH B 208 10.945 -4.299 -0.635 1.00 0.00 O HETATM 762 H1 HOH B 208 10.444 -3.974 -1.383 1.00 0.00 H HETATM 763 H2 HOH B 208 11.846 -4.028 -0.813 1.00 0.00 H HETATM 764 O HOH B 209 -8.837 -6.244 5.814 1.00 0.00 O HETATM 765 H1 HOH B 209 -8.632 -5.310 5.864 1.00 0.00 H HETATM 766 H2 HOH B 209 -9.594 -6.355 6.390 1.00 0.00 H HETATM 767 O HOH B 210 7.012 -0.173 -9.452 1.00 0.00 O HETATM 768 H1 HOH B 210 6.468 0.257 -10.112 1.00 0.00 H HETATM 769 H2 HOH B 210 6.430 -0.286 -8.700 1.00 0.00 H HETATM 770 O HOH B 211 6.061 -7.294 0.554 1.00 0.00 O HETATM 771 H1 HOH B 211 6.367 -6.796 -0.204 1.00 0.00 H HETATM 772 H2 HOH B 211 6.053 -6.660 1.271 1.00 0.00 H HETATM 773 O HOH B 212 2.973 -5.428 -9.628 1.00 0.00 O HETATM 774 H1 HOH B 212 2.135 -5.052 -9.358 1.00 0.00 H HETATM 775 H2 HOH B 212 3.585 -4.691 -9.607 1.00 0.00 H HETATM 776 O HOH B 213 -10.006 8.543 2.200 1.00 0.00 O HETATM 777 H1 HOH B 213 -10.853 8.661 2.630 1.00 0.00 H HETATM 778 H2 HOH B 213 -9.393 9.046 2.736 1.00 0.00 H HETATM 779 O HOH B 214 1.326 -1.268 7.383 1.00 0.00 O HETATM 780 H1 HOH B 214 0.524 -1.174 7.897 1.00 0.00 H HETATM 781 H2 HOH B 214 1.829 -0.477 7.577 1.00 0.00 H HETATM 782 O HOH B 215 6.249 10.467 -2.549 1.00 0.00 O HETATM 783 H1 HOH B 215 7.018 11.024 -2.424 1.00 0.00 H HETATM 784 H2 HOH B 215 6.484 9.893 -3.278 1.00 0.00 H HETATM 785 O HOH B 216 2.693 -3.386 -6.945 1.00 0.00 O HETATM 786 H1 HOH B 216 3.328 -3.318 -7.658 1.00 0.00 H HETATM 787 H2 HOH B 216 1.879 -3.650 -7.373 1.00 0.00 H HETATM 788 O HOH B 217 -5.504 -9.333 6.925 1.00 0.00 O HETATM 789 H1 HOH B 217 -4.686 -9.222 7.408 1.00 0.00 H HETATM 790 H2 HOH B 217 -5.645 -10.280 6.905 1.00 0.00 H HETATM 791 O HOH B 218 -2.791 -6.036 7.559 1.00 0.00 O HETATM 792 H1 HOH B 218 -3.096 -5.243 7.118 1.00 0.00 H HETATM 793 H2 HOH B 218 -2.114 -5.729 8.163 1.00 0.00 H HETATM 794 O HOH B 219 7.816 5.305 5.794 1.00 0.00 O HETATM 795 H1 HOH B 219 7.446 5.043 4.951 1.00 0.00 H HETATM 796 H2 HOH B 219 8.265 4.522 6.113 1.00 0.00 H HETATM 797 O HOH B 220 -10.144 -8.107 -10.131 1.00 0.00 O HETATM 798 H1 HOH B 220 -10.366 -7.182 -10.237 1.00 0.00 H HETATM 799 H2 HOH B 220 -9.974 -8.417 -11.020 1.00 0.00 H HETATM 800 O HOH B 221 7.659 0.309 -6.133 1.00 0.00 O HETATM 801 H1 HOH B 221 7.622 1.072 -5.557 1.00 0.00 H HETATM 802 H2 HOH B 221 8.326 0.530 -6.783 1.00 0.00 H HETATM 803 O HOH B 222 -10.202 1.683 -4.763 1.00 0.00 O HETATM 804 H1 HOH B 222 -10.519 2.234 -5.478 1.00 0.00 H HETATM 805 H2 HOH B 222 -10.211 0.795 -5.122 1.00 0.00 H HETATM 806 O HOH B 223 7.735 5.899 -9.517 1.00 0.00 O HETATM 807 H1 HOH B 223 6.797 6.028 -9.379 1.00 0.00 H HETATM 808 H2 HOH B 223 8.128 6.745 -9.302 1.00 0.00 H HETATM 809 O HOH B 224 7.445 -10.136 -2.138 1.00 0.00 O HETATM 810 H1 HOH B 224 6.986 -10.098 -1.299 1.00 0.00 H HETATM 811 H2 HOH B 224 7.979 -10.929 -2.084 1.00 0.00 H HETATM 812 O HOH B 225 8.848 -5.674 0.461 1.00 0.00 O HETATM 813 H1 HOH B 225 9.636 -5.270 0.098 1.00 0.00 H HETATM 814 H2 HOH B 225 8.214 -5.649 -0.256 1.00 0.00 H HETATM 815 O HOH B 226 11.468 8.518 3.250 1.00 0.00 O HETATM 816 H1 HOH B 226 11.097 8.061 4.005 1.00 0.00 H HETATM 817 H2 HOH B 226 10.709 8.766 2.723 1.00 0.00 H HETATM 818 O HOH B 227 -9.650 -1.123 -0.407 1.00 0.00 O HETATM 819 H1 HOH B 227 -8.992 -0.459 -0.200 1.00 0.00 H HETATM 820 H2 HOH B 227 -10.019 -0.842 -1.245 1.00 0.00 H HETATM 821 O HOH B 228 8.899 11.557 -1.548 1.00 0.00 O HETATM 822 H1 HOH B 228 9.362 12.060 -0.878 1.00 0.00 H HETATM 823 H2 HOH B 228 8.735 10.707 -1.140 1.00 0.00 H HETATM 824 O HOH B 229 -10.510 -6.963 -3.318 1.00 0.00 O HETATM 825 H1 HOH B 229 -10.986 -7.583 -3.870 1.00 0.00 H HETATM 826 H2 HOH B 229 -10.185 -6.300 -3.928 1.00 0.00 H HETATM 827 O HOH B 230 -5.037 -11.262 0.853 1.00 0.00 O HETATM 828 H1 HOH B 230 -4.177 -10.891 1.051 1.00 0.00 H HETATM 829 H2 HOH B 230 -5.309 -10.821 0.049 1.00 0.00 H HETATM 830 O HOH B 231 -0.444 -5.648 -10.970 1.00 0.00 O HETATM 831 H1 HOH B 231 -0.880 -4.808 -11.114 1.00 0.00 H HETATM 832 H2 HOH B 231 -0.050 -5.861 -11.816 1.00 0.00 H HETATM 833 O HOH B 232 -2.947 -7.634 5.268 1.00 0.00 O HETATM 834 H1 HOH B 232 -2.933 -7.138 6.087 1.00 0.00 H HETATM 835 H2 HOH B 232 -2.028 -7.837 5.095 1.00 0.00 H HETATM 836 O HOH B 233 6.487 -10.005 0.460 1.00 0.00 O HETATM 837 H1 HOH B 233 7.069 -10.259 1.176 1.00 0.00 H HETATM 838 H2 HOH B 233 6.444 -9.051 0.511 1.00 0.00 H HETATM 839 O HOH B 234 -8.282 5.265 2.674 1.00 0.00 O HETATM 840 H1 HOH B 234 -9.140 5.520 2.336 1.00 0.00 H HETATM 841 H2 HOH B 234 -8.272 5.591 3.574 1.00 0.00 H HETATM 842 O HOH B 235 -9.174 -7.036 11.357 1.00 0.00 O HETATM 843 H1 HOH B 235 -9.074 -6.469 10.593 1.00 0.00 H HETATM 844 H2 HOH B 235 -9.397 -6.438 12.071 1.00 0.00 H HETATM 845 O HOH B 236 7.432 -0.781 0.137 1.00 0.00 O HETATM 846 H1 HOH B 236 7.422 0.096 0.519 1.00 0.00 H HETATM 847 H2 HOH B 236 7.618 -0.637 -0.791 1.00 0.00 H HETATM 848 O HOH B 237 -10.405 -3.760 -0.923 1.00 0.00 O HETATM 849 H1 HOH B 237 -9.683 -4.103 -1.450 1.00 0.00 H HETATM 850 H2 HOH B 237 -10.171 -2.846 -0.763 1.00 0.00 H HETATM 851 O HOH B 238 -8.053 -3.693 6.021 1.00 0.00 O HETATM 852 H1 HOH B 238 -7.233 -3.674 6.513 1.00 0.00 H HETATM 853 H2 HOH B 238 -8.653 -3.151 6.533 1.00 0.00 H HETATM 854 O HOH B 239 -6.520 -8.731 -8.017 1.00 0.00 O HETATM 855 H1 HOH B 239 -6.237 -8.182 -7.286 1.00 0.00 H HETATM 856 H2 HOH B 239 -6.441 -9.627 -7.689 1.00 0.00 H HETATM 857 O HOH B 240 7.719 -7.860 -3.613 1.00 0.00 O HETATM 858 H1 HOH B 240 7.730 -8.670 -3.103 1.00 0.00 H HETATM 859 H2 HOH B 240 7.534 -7.175 -2.970 1.00 0.00 H HETATM 860 O HOH B 241 9.201 -3.637 -2.654 1.00 0.00 O HETATM 861 H1 HOH B 241 8.459 -4.189 -2.406 1.00 0.00 H HETATM 862 H2 HOH B 241 8.849 -3.046 -3.320 1.00 0.00 H HETATM 863 O HOH B 242 6.979 -5.468 -4.992 1.00 0.00 O HETATM 864 H1 HOH B 242 6.833 -5.250 -4.072 1.00 0.00 H HETATM 865 H2 HOH B 242 7.487 -6.279 -4.969 1.00 0.00 H HETATM 866 O HOH B 243 -8.601 5.144 9.718 1.00 0.00 O HETATM 867 H1 HOH B 243 -9.509 5.056 9.425 1.00 0.00 H HETATM 868 H2 HOH B 243 -8.133 4.445 9.261 1.00 0.00 H HETATM 869 O HOH B 244 0.717 -8.056 -0.108 1.00 0.00 O HETATM 870 H1 HOH B 244 1.649 -7.842 -0.069 1.00 0.00 H HETATM 871 H2 HOH B 244 0.588 -8.693 0.595 1.00 0.00 H HETATM 872 O HOH B 245 -8.048 -6.169 3.140 1.00 0.00 O HETATM 873 H1 HOH B 245 -8.383 -6.101 4.035 1.00 0.00 H HETATM 874 H2 HOH B 245 -8.635 -5.619 2.622 1.00 0.00 H HETATM 875 O HOH B 246 -10.609 6.863 -3.955 1.00 0.00 O HETATM 876 H1 HOH B 246 -10.633 6.476 -3.080 1.00 0.00 H HETATM 877 H2 HOH B 246 -11.521 6.858 -4.245 1.00 0.00 H HETATM 878 O HOH B 247 -0.950 4.310 8.435 1.00 0.00 O HETATM 879 H1 HOH B 247 -0.619 3.820 7.682 1.00 0.00 H HETATM 880 H2 HOH B 247 -1.884 4.104 8.464 1.00 0.00 H HETATM 881 O HOH B 248 8.333 -5.373 3.102 1.00 0.00 O HETATM 882 H1 HOH B 248 7.400 -5.206 2.968 1.00 0.00 H HETATM 883 H2 HOH B 248 8.673 -5.548 2.225 1.00 0.00 H HETATM 884 O HOH B 249 -9.199 -2.646 -10.176 1.00 0.00 O HETATM 885 H1 HOH B 249 -9.560 -1.798 -9.917 1.00 0.00 H HETATM 886 H2 HOH B 249 -8.250 -2.521 -10.153 1.00 0.00 H HETATM 887 O HOH B 250 2.936 6.103 -10.728 1.00 0.00 O HETATM 888 H1 HOH B 250 2.865 5.218 -10.372 1.00 0.00 H HETATM 889 H2 HOH B 250 2.551 6.042 -11.602 1.00 0.00 H HETATM 890 O HOH B 251 8.440 2.588 5.465 1.00 0.00 O HETATM 891 H1 HOH B 251 8.012 2.921 4.676 1.00 0.00 H HETATM 892 H2 HOH B 251 7.862 1.891 5.776 1.00 0.00 H HETATM 893 O HOH B 252 8.223 -11.360 5.438 1.00 0.00 O HETATM 894 H1 HOH B 252 7.273 -11.281 5.346 1.00 0.00 H HETATM 895 H2 HOH B 252 8.476 -10.608 5.972 1.00 0.00 H HETATM 896 O HOH B 253 -4.198 5.784 -5.821 1.00 0.00 O HETATM 897 H1 HOH B 253 -4.144 4.893 -5.475 1.00 0.00 H HETATM 898 H2 HOH B 253 -4.452 5.671 -6.737 1.00 0.00 H HETATM 899 O HOH B 254 -11.966 0.343 -7.707 1.00 0.00 O HETATM 900 H1 HOH B 254 -11.735 1.241 -7.471 1.00 0.00 H HETATM 901 H2 HOH B 254 -12.891 0.389 -7.950 1.00 0.00 H HETATM 902 O HOH B 255 8.668 -3.183 -6.763 1.00 0.00 O HETATM 903 H1 HOH B 255 9.618 -3.079 -6.709 1.00 0.00 H HETATM 904 H2 HOH B 255 8.340 -2.837 -5.933 1.00 0.00 H HETATM 905 O HOH B 256 3.958 -10.525 -6.497 1.00 0.00 O HETATM 906 H1 HOH B 256 3.164 -10.091 -6.185 1.00 0.00 H HETATM 907 H2 HOH B 256 4.673 -10.046 -6.079 1.00 0.00 H HETATM 908 O HOH B 257 6.166 -3.203 0.485 1.00 0.00 O HETATM 909 H1 HOH B 257 6.487 -2.350 0.192 1.00 0.00 H HETATM 910 H2 HOH B 257 6.337 -3.790 -0.251 1.00 0.00 H HETATM 911 O HOH B 258 8.934 5.793 2.467 1.00 0.00 O HETATM 912 H1 HOH B 258 9.260 6.229 3.254 1.00 0.00 H HETATM 913 H2 HOH B 258 8.308 5.146 2.792 1.00 0.00 H HETATM 914 O HOH B 259 -10.407 -0.906 -5.687 1.00 0.00 O HETATM 915 H1 HOH B 259 -10.970 -0.727 -6.440 1.00 0.00 H HETATM 916 H2 HOH B 259 -9.701 -1.448 -6.038 1.00 0.00 H HETATM 917 O HOH B 260 4.872 -3.201 -3.050 1.00 0.00 O HETATM 918 H1 HOH B 260 5.414 -3.842 -2.590 1.00 0.00 H HETATM 919 H2 HOH B 260 4.831 -2.451 -2.456 1.00 0.00 H HETATM 920 O HOH B 261 3.451 -7.993 0.171 1.00 0.00 O HETATM 921 H1 HOH B 261 4.326 -7.690 0.413 1.00 0.00 H HETATM 922 H2 HOH B 261 3.357 -8.835 0.617 1.00 0.00 H HETATM 923 O HOH B 262 7.368 -5.512 -8.031 1.00 0.00 O HETATM 924 H1 HOH B 262 7.764 -5.043 -7.297 1.00 0.00 H HETATM 925 H2 HOH B 262 7.206 -4.836 -8.689 1.00 0.00 H HETATM 926 O HOH B 263 8.088 -8.614 6.411 1.00 0.00 O HETATM 927 H1 HOH B 263 8.037 -8.551 5.457 1.00 0.00 H HETATM 928 H2 HOH B 263 7.631 -7.835 6.728 1.00 0.00 H HETATM 929 O HOH B 264 9.327 0.909 -8.297 1.00 0.00 O HETATM 930 H1 HOH B 264 9.137 1.843 -8.385 1.00 0.00 H HETATM 931 H2 HOH B 264 8.693 0.480 -8.871 1.00 0.00 H HETATM 932 O HOH B 265 -7.708 -2.780 9.975 1.00 0.00 O HETATM 933 H1 HOH B 265 -7.737 -1.830 10.092 1.00 0.00 H HETATM 934 H2 HOH B 265 -6.793 -3.013 10.131 1.00 0.00 H HETATM 935 O HOH B 266 -8.861 -5.204 9.338 1.00 0.00 O HETATM 936 H1 HOH B 266 -8.632 -4.327 9.645 1.00 0.00 H HETATM 937 H2 HOH B 266 -8.065 -5.527 8.917 1.00 0.00 H HETATM 938 O HOH B 267 5.779 5.044 -6.672 1.00 0.00 O HETATM 939 H1 HOH B 267 5.734 4.148 -7.006 1.00 0.00 H HETATM 940 H2 HOH B 267 5.530 5.591 -7.417 1.00 0.00 H HETATM 941 O HOH B 268 6.938 -3.670 12.173 1.00 0.00 O HETATM 942 H1 HOH B 268 7.763 -4.021 11.838 1.00 0.00 H HETATM 943 H2 HOH B 268 7.118 -3.468 13.091 1.00 0.00 H HETATM 944 O HOH B 269 -10.966 -7.202 -7.276 1.00 0.00 O HETATM 945 H1 HOH B 269 -11.753 -7.087 -7.809 1.00 0.00 H HETATM 946 H2 HOH B 269 -11.266 -7.681 -6.504 1.00 0.00 H HETATM 947 O HOH B 270 4.335 -5.503 9.507 1.00 0.00 O HETATM 948 H1 HOH B 270 3.893 -6.308 9.238 1.00 0.00 H HETATM 949 H2 HOH B 270 5.214 -5.784 9.761 1.00 0.00 H HETATM 950 O HOH B 271 7.041 -6.220 9.796 1.00 0.00 O HETATM 951 H1 HOH B 271 7.422 -7.098 9.825 1.00 0.00 H HETATM 952 H2 HOH B 271 7.723 -5.651 10.154 1.00 0.00 H HETATM 953 O HOH B 272 6.136 -2.892 9.677 1.00 0.00 O HETATM 954 H1 HOH B 272 6.291 -3.171 10.579 1.00 0.00 H HETATM 955 H2 HOH B 272 5.200 -2.693 9.645 1.00 0.00 H HETATM 956 O HOH B 273 9.873 -0.480 1.384 1.00 0.00 O HETATM 957 H1 HOH B 273 9.117 -0.877 0.951 1.00 0.00 H HETATM 958 H2 HOH B 273 9.664 0.453 1.425 1.00 0.00 H HETATM 959 O HOH B 274 9.119 -4.448 10.559 1.00 0.00 O HETATM 960 H1 HOH B 274 8.994 -3.783 9.881 1.00 0.00 H HETATM 961 H2 HOH B 274 10.056 -4.421 10.751 1.00 0.00 H HETATM 962 O HOH B 275 -9.976 -2.151 2.138 1.00 0.00 O HETATM 963 H1 HOH B 275 -10.604 -1.635 2.645 1.00 0.00 H HETATM 964 H2 HOH B 275 -9.965 -1.736 1.276 1.00 0.00 H HETATM 965 O HOH B 276 8.150 1.739 1.211 1.00 0.00 O HETATM 966 H1 HOH B 276 8.408 2.593 0.863 1.00 0.00 H HETATM 967 H2 HOH B 276 7.427 1.932 1.808 1.00 0.00 H HETATM 968 O HOH B 277 -9.593 3.729 5.206 1.00 0.00 O HETATM 969 H1 HOH B 277 -9.203 4.603 5.222 1.00 0.00 H HETATM 970 H2 HOH B 277 -10.309 3.797 4.575 1.00 0.00 H HETATM 971 O HOH B 278 -8.512 1.822 6.781 1.00 0.00 O HETATM 972 H1 HOH B 278 -7.905 2.312 7.335 1.00 0.00 H HETATM 973 H2 HOH B 278 -8.904 2.483 6.210 1.00 0.00 H HETATM 974 O HOH B 279 5.784 -3.767 7.009 1.00 0.00 O HETATM 975 H1 HOH B 279 5.380 -2.935 6.761 1.00 0.00 H HETATM 976 H2 HOH B 279 5.889 -3.708 7.959 1.00 0.00 H HETATM 977 O HOH B 280 4.606 -7.911 3.352 1.00 0.00 O HETATM 978 H1 HOH B 280 4.586 -8.036 4.301 1.00 0.00 H HETATM 979 H2 HOH B 280 4.104 -7.109 3.205 1.00 0.00 H HETATM 980 O HOH B 281 -5.310 -8.857 10.379 1.00 0.00 O HETATM 981 H1 HOH B 281 -4.652 -8.861 9.683 1.00 0.00 H HETATM 982 H2 HOH B 281 -4.827 -9.107 11.166 1.00 0.00 H HETATM 983 O HOH B 282 -11.974 2.557 7.978 1.00 0.00 O HETATM 984 H1 HOH B 282 -12.641 2.223 7.377 1.00 0.00 H HETATM 985 H2 HOH B 282 -11.480 1.781 8.243 1.00 0.00 H HETATM 986 O HOH B 283 -10.150 0.488 8.504 1.00 0.00 O HETATM 987 H1 HOH B 283 -9.503 0.338 9.193 1.00 0.00 H HETATM 988 H2 HOH B 283 -9.672 0.962 7.824 1.00 0.00 H HETATM 989 O HOH B 284 -8.276 -2.321 -6.710 1.00 0.00 O HETATM 990 H1 HOH B 284 -7.823 -1.859 -7.416 1.00 0.00 H HETATM 991 H2 HOH B 284 -7.806 -3.150 -6.625 1.00 0.00 H HETATM 992 O HOH B 285 1.088 -3.975 7.540 1.00 0.00 O HETATM 993 H1 HOH B 285 1.152 -3.061 7.266 1.00 0.00 H HETATM 994 H2 HOH B 285 1.699 -4.441 6.969 1.00 0.00 H HETATM 995 O HOH B 286 5.786 3.716 9.792 1.00 0.00 O HETATM 996 H1 HOH B 286 6.215 3.895 10.629 1.00 0.00 H HETATM 997 H2 HOH B 286 6.138 4.377 9.196 1.00 0.00 H HETATM 998 O HOH B 287 -7.917 -8.854 4.708 1.00 0.00 O HETATM 999 H1 HOH B 287 -7.893 -9.811 4.708 1.00 0.00 H HETATM 1000 H2 HOH B 287 -8.830 -8.638 4.897 1.00 0.00 H HETATM 1001 O HOH B 288 -8.540 -8.191 -5.837 1.00 0.00 O HETATM 1002 H1 HOH B 288 -7.985 -8.613 -5.181 1.00 0.00 H HETATM 1003 H2 HOH B 288 -8.799 -7.362 -5.435 1.00 0.00 H HETATM 1004 O HOH B 289 8.621 -2.427 8.685 1.00 0.00 O HETATM 1005 H1 HOH B 289 8.781 -1.485 8.620 1.00 0.00 H HETATM 1006 H2 HOH B 289 7.716 -2.496 8.987 1.00 0.00 H HETATM 1007 O HOH B 290 10.009 4.920 -6.732 1.00 0.00 O HETATM 1008 H1 HOH B 290 9.484 4.350 -7.293 1.00 0.00 H HETATM 1009 H2 HOH B 290 10.806 5.085 -7.236 1.00 0.00 H HETATM 1010 O HOH B 291 5.565 -10.786 5.014 1.00 0.00 O HETATM 1011 H1 HOH B 291 5.184 -10.855 4.139 1.00 0.00 H HETATM 1012 H2 HOH B 291 5.326 -9.908 5.312 1.00 0.00 H HETATM 1013 O HOH B 292 4.153 -9.761 -3.250 1.00 0.00 O HETATM 1014 H1 HOH B 292 4.850 -9.717 -3.904 1.00 0.00 H HETATM 1015 H2 HOH B 292 4.087 -8.868 -2.909 1.00 0.00 H HETATM 1016 O HOH B 293 4.009 -7.119 -2.362 1.00 0.00 O HETATM 1017 H1 HOH B 293 4.815 -6.613 -2.259 1.00 0.00 H HETATM 1018 H2 HOH B 293 3.766 -7.368 -1.471 1.00 0.00 H HETATM 1019 O HOH B 294 4.694 -11.685 7.467 1.00 0.00 O HETATM 1020 H1 HOH B 294 4.154 -12.452 7.277 1.00 0.00 H HETATM 1021 H2 HOH B 294 5.092 -11.458 6.626 1.00 0.00 H HETATM 1022 O HOH B 295 5.923 -8.999 -5.362 1.00 0.00 O HETATM 1023 H1 HOH B 295 6.576 -8.646 -4.758 1.00 0.00 H HETATM 1024 H2 HOH B 295 6.218 -8.714 -6.227 1.00 0.00 H HETATM 1025 O HOH B 296 9.582 -1.016 4.095 1.00 0.00 O HETATM 1026 H1 HOH B 296 9.899 -0.708 3.246 1.00 0.00 H HETATM 1027 H2 HOH B 296 8.793 -0.500 4.258 1.00 0.00 H HETATM 1028 O HOH B 297 -9.618 7.166 7.538 1.00 0.00 O HETATM 1029 H1 HOH B 297 -9.526 7.513 8.426 1.00 0.00 H HETATM 1030 H2 HOH B 297 -10.231 6.436 7.628 1.00 0.00 H HETATM 1031 O HOH B 298 5.101 6.592 -4.522 1.00 0.00 O HETATM 1032 H1 HOH B 298 4.164 6.778 -4.571 1.00 0.00 H HETATM 1033 H2 HOH B 298 5.273 6.023 -5.273 1.00 0.00 H HETATM 1034 O HOH B 299 9.128 8.981 -5.998 1.00 0.00 O HETATM 1035 H1 HOH B 299 8.264 8.831 -5.616 1.00 0.00 H HETATM 1036 H2 HOH B 299 9.530 9.640 -5.432 1.00 0.00 H HETATM 1037 O HOH B 300 9.008 8.522 1.903 1.00 0.00 O HETATM 1038 H1 HOH B 300 8.915 8.738 0.975 1.00 0.00 H HETATM 1039 H2 HOH B 300 8.980 7.566 1.931 1.00 0.00 H HETATM 1040 O HOH B 301 10.166 10.113 -3.664 1.00 0.00 O HETATM 1041 H1 HOH B 301 9.969 9.280 -3.234 1.00 0.00 H HETATM 1042 H2 HOH B 301 9.826 10.778 -3.065 1.00 0.00 H HETATM 1043 O HOH B 302 -6.626 9.353 9.611 1.00 0.00 O HETATM 1044 H1 HOH B 302 -7.121 9.370 8.792 1.00 0.00 H HETATM 1045 H2 HOH B 302 -6.674 10.251 9.939 1.00 0.00 H HETATM 1046 O HOH B 303 7.608 5.607 -2.157 1.00 0.00 O HETATM 1047 H1 HOH B 303 6.678 5.661 -1.937 1.00 0.00 H HETATM 1048 H2 HOH B 303 7.623 5.291 -3.060 1.00 0.00 H HETATM 1049 O HOH B 304 8.464 9.017 -0.705 1.00 0.00 O HETATM 1050 H1 HOH B 304 7.539 8.783 -0.628 1.00 0.00 H HETATM 1051 H2 HOH B 304 8.805 8.429 -1.379 1.00 0.00 H HETATM 1052 O HOH B 305 9.481 7.314 4.842 1.00 0.00 O HETATM 1053 H1 HOH B 305 9.194 8.183 5.122 1.00 0.00 H HETATM 1054 H2 HOH B 305 8.935 6.708 5.341 1.00 0.00 H HETATM 1055 O HOH B 306 7.098 8.432 -4.182 1.00 0.00 O HETATM 1056 H1 HOH B 306 6.384 7.828 -4.386 1.00 0.00 H HETATM 1057 H2 HOH B 306 7.758 7.886 -3.754 1.00 0.00 H HETATM 1058 O HOH B 307 8.636 4.232 0.067 1.00 0.00 O HETATM 1059 H1 HOH B 307 8.795 4.779 0.836 1.00 0.00 H HETATM 1060 H2 HOH B 307 8.366 4.847 -0.615 1.00 0.00 H HETATM 1061 O HOH B 308 4.771 8.683 5.334 1.00 0.00 O HETATM 1062 H1 HOH B 308 4.214 8.040 4.896 1.00 0.00 H HETATM 1063 H2 HOH B 308 5.468 8.866 4.705 1.00 0.00 H HETATM 1064 O HOH B 309 -11.155 5.082 8.605 1.00 0.00 O HETATM 1065 H1 HOH B 309 -11.352 4.198 8.297 1.00 0.00 H HETATM 1066 H2 HOH B 309 -11.973 5.387 8.999 1.00 0.00 H HETATM 1067 O HOH B 310 -3.991 10.931 4.616 1.00 0.00 O HETATM 1068 H1 HOH B 310 -3.779 11.796 4.966 1.00 0.00 H HETATM 1069 H2 HOH B 310 -3.184 10.426 4.721 1.00 0.00 H HETATM 1070 O HOH B 311 2.739 10.592 -8.534 1.00 0.00 O HETATM 1071 H1 HOH B 311 2.581 9.741 -8.942 1.00 0.00 H HETATM 1072 H2 HOH B 311 3.633 10.534 -8.197 1.00 0.00 H HETATM 1073 O HOH B 312 3.201 -5.461 3.320 1.00 0.00 O HETATM 1074 H1 HOH B 312 2.969 -5.317 4.237 1.00 0.00 H HETATM 1075 H2 HOH B 312 2.538 -4.979 2.826 1.00 0.00 H HETATM 1076 O HOH B 313 9.437 7.511 -2.768 1.00 0.00 O HETATM 1077 H1 HOH B 313 8.981 6.723 -2.472 1.00 0.00 H HETATM 1078 H2 HOH B 313 10.001 7.208 -3.480 1.00 0.00 H HETATM 1079 O HOH B 314 5.767 8.475 -0.639 1.00 0.00 O HETATM 1080 H1 HOH B 314 5.471 7.665 -1.056 1.00 0.00 H HETATM 1081 H2 HOH B 314 5.689 9.139 -1.324 1.00 0.00 H HETATM 1082 O HOH B 315 -10.689 -11.184 -5.468 1.00 0.00 O HETATM 1083 H1 HOH B 315 -11.114 -12.041 -5.475 1.00 0.00 H HETATM 1084 H2 HOH B 315 -9.935 -11.295 -4.889 1.00 0.00 H HETATM 1085 O HOH B 316 3.108 -10.767 -9.120 1.00 0.00 O HETATM 1086 H1 HOH B 316 3.407 -10.641 -8.220 1.00 0.00 H HETATM 1087 H2 HOH B 316 2.894 -11.699 -9.174 1.00 0.00 H HETATM 1088 O HOH B 317 8.734 8.396 -8.658 1.00 0.00 O HETATM 1089 H1 HOH B 317 9.493 8.733 -9.134 1.00 0.00 H HETATM 1090 H2 HOH B 317 8.927 8.580 -7.739 1.00 0.00 H HETATM 1091 O HOH B 318 -11.541 10.220 -5.225 1.00 0.00 O HETATM 1092 H1 HOH B 318 -11.723 9.636 -5.961 1.00 0.00 H HETATM 1093 H2 HOH B 318 -12.323 10.166 -4.677 1.00 0.00 H HETATM 1094 O HOH B 319 5.076 6.380 -8.948 1.00 0.00 O HETATM 1095 H1 HOH B 319 4.389 6.300 -9.610 1.00 0.00 H HETATM 1096 H2 HOH B 319 5.220 7.323 -8.865 1.00 0.00 H HETATM 1097 O HOH B 320 6.561 9.311 7.404 1.00 0.00 O HETATM 1098 H1 HOH B 320 6.181 9.282 8.282 1.00 0.00 H HETATM 1099 H2 HOH B 320 5.863 8.998 6.829 1.00 0.00 H HETATM 1100 O HOH B 321 7.761 -8.826 9.260 1.00 0.00 O HETATM 1101 H1 HOH B 321 8.141 -8.941 8.389 1.00 0.00 H HETATM 1102 H2 HOH B 321 6.876 -9.182 9.185 1.00 0.00 H HETATM 1103 O HOH B 322 -9.748 7.951 -11.137 1.00 0.00 O HETATM 1104 H1 HOH B 322 -9.745 8.864 -10.851 1.00 0.00 H HETATM 1105 H2 HOH B 322 -9.612 7.995 -12.084 1.00 0.00 H HETATM 1106 O HOH B 323 6.216 -9.331 11.740 1.00 0.00 O HETATM 1107 H1 HOH B 323 5.672 -9.550 10.983 1.00 0.00 H HETATM 1108 H2 HOH B 323 7.086 -9.175 11.373 1.00 0.00 H HETATM 1109 O HOH B 324 10.826 6.911 -5.024 1.00 0.00 O HETATM 1110 H1 HOH B 324 10.624 6.130 -5.540 1.00 0.00 H HETATM 1111 H2 HOH B 324 10.469 7.636 -5.537 1.00 0.00 H HETATM 1112 O HOH B 325 8.505 9.847 5.600 1.00 0.00 O HETATM 1113 H1 HOH B 325 7.951 9.689 6.364 1.00 0.00 H HETATM 1114 H2 HOH B 325 8.616 10.797 5.576 1.00 0.00 H HETATM 1115 O HOH B 326 7.288 -10.838 -8.306 1.00 0.00 O HETATM 1116 H1 HOH B 326 7.175 -9.926 -8.038 1.00 0.00 H HETATM 1117 H2 HOH B 326 7.665 -10.785 -9.184 1.00 0.00 H HETATM 1118 O HOH B 327 -8.740 -8.620 7.734 1.00 0.00 O HETATM 1119 H1 HOH B 327 -8.564 -8.989 8.599 1.00 0.00 H HETATM 1120 H2 HOH B 327 -9.552 -8.124 7.845 1.00 0.00 H HETATM 1121 O HOH B 328 -9.897 -5.326 -10.561 1.00 0.00 O HETATM 1122 H1 HOH B 328 -9.880 -4.369 -10.604 1.00 0.00 H HETATM 1123 H2 HOH B 328 -9.279 -5.546 -9.865 1.00 0.00 H TER 1124 HOH B 328 HETATM 1125 Na NA C 1 2.203 10.375 -1.212 1.00 0.00 Na HETATM 1126 Na NA C 2 -6.508 -7.871 3.038 1.00 0.00 Na HETATM 1127 Na NA C 3 -8.301 -9.121 0.227 1.00 0.00 Na HETATM 1128 Na NA C 4 -4.783 7.949 9.928 1.00 0.00 Na HETATM 1129 Na NA C 5 -7.004 -7.629 6.549 1.00 0.00 Na HETATM 1130 Na NA C 6 3.495 -3.739 -4.837 1.00 0.00 Na HETATM 1131 Na NA C 7 9.139 -3.314 3.904 1.00 0.00 Na HETATM 1132 Na NA C 8 -8.987 -8.343 -8.114 1.00 0.00 Na HETATM 1133 Cl CL C 9 1.781 1.549 8.681 1.00 0.00 Cl HETATM 1134 Cl CL C 10 -3.965 3.977 9.320 1.00 0.00 Cl HETATM 1135 Cl CL C 11 2.718 -7.893 8.256 1.00 0.00 Cl HETATM 1136 Cl CL C 12 2.612 3.308 -9.470 1.00 0.00 Cl HETATM 1137 Cl CL C 13 6.699 -5.398 -1.848 1.00 0.00 Cl HETATM 1138 Cl CL C 14 -6.529 -9.408 -3.794 1.00 0.00 Cl TER 1139 CL C 14 END