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cp2k/tests/Fist/sample_pdb/ipbv.pdb
Teodoro Laino 6ae8774636 Bug fix in counting external constraints for 3x3 and 4x6.. resetting 4 regtests. 
Possibility to dump lagrange multipliers (X Chris) activating the proper print_key.
Cleaning debug comments left in the code.. and moving psf, xyz, and pdb out of the regtest directory
of fist.


svn-origin-rev: 5879
2007-03-19 19:27:46 +00:00

1536 lines
100 KiB
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ATOM 1 O H2O 1 23.019 6.957 0.710 1.00 1.00
ATOM 2 H H2O 1 23.158 6.330 1.477 1.00 1.00
ATOM 3 H H2O 1 23.905 7.199 0.314 1.00 1.00
ATOM 4 O H2O 2 9.590 10.161 -12.846 1.00 1.00
ATOM 5 H H2O 2 9.478 10.808 -13.600 1.00 1.00
ATOM 6 H H2O 2 8.703 9.758 -12.618 1.00 1.00
ATOM 7 O H2O 3 19.911 10.052 10.044 1.00 1.00
ATOM 8 H H2O 3 19.087 9.502 9.902 1.00 1.00
ATOM 9 H H2O 3 20.047 10.203 11.023 1.00 1.00
ATOM 10 O H2O 4 0.493 -12.537 -28.777 1.00 1.00
ATOM 11 H H2O 4 -0.454 -12.220 -28.726 1.00 1.00
ATOM 12 H H2O 4 1.065 -11.814 -29.164 1.00 1.00
ATOM 13 O H2O 5 23.215 -3.752 -4.530 1.00 1.00
ATOM 14 H H2O 5 23.404 -4.382 -3.777 1.00 1.00
ATOM 15 H H2O 5 22.944 -2.863 -4.160 1.00 1.00
ATOM 16 O H2O 6 18.491 9.145 -9.995 1.00 1.00
ATOM 17 H H2O 6 17.963 8.550 -10.602 1.00 1.00
ATOM 18 H H2O 6 18.917 8.595 -9.277 1.00 1.00
ATOM 19 O H2O 7 1.787 -8.063 -25.968 1.00 1.00
ATOM 20 H H2O 7 1.499 -8.974 -26.264 1.00 1.00
ATOM 21 H H2O 7 2.661 -7.834 -26.396 1.00 1.00
ATOM 22 O H2O 8 -14.368 11.081 -10.336 1.00 1.00
ATOM 23 H H2O 8 -14.607 10.252 -9.831 1.00 1.00
ATOM 24 H H2O 8 -14.435 10.906 -11.318 1.00 1.00
ATOM 25 O H2O 9 21.817 2.667 -12.565 1.00 1.00
ATOM 26 H H2O 9 20.955 2.560 -12.070 1.00 1.00
ATOM 27 H H2O 9 21.660 2.528 -13.542 1.00 1.00
ATOM 28 O H2O 10 -4.744 15.961 -19.281 1.00 1.00
ATOM 29 H H2O 10 -3.832 16.349 -19.417 1.00 1.00
ATOM 30 H H2O 10 -4.663 15.063 -18.850 1.00 1.00
ATOM 31 O H2O 11 10.627 -4.151 -14.074 1.00 1.00
ATOM 32 H H2O 11 11.099 -4.405 -14.918 1.00 1.00
ATOM 33 H H2O 11 9.670 -4.438 -14.128 1.00 1.00
ATOM 34 O H2O 12 11.285 12.448 -14.508 1.00 1.00
ATOM 35 H H2O 12 11.000 13.007 -15.287 1.00 1.00
ATOM 36 H H2O 12 10.961 12.869 -13.660 1.00 1.00
ATOM 37 O H2O 13 20.149 3.705 -7.555 1.00 1.00
ATOM 38 H H2O 13 19.520 4.024 -6.846 1.00 1.00
ATOM 39 H H2O 13 20.036 2.720 -7.682 1.00 1.00
ATOM 40 O H2O 14 16.499 -7.950 -4.255 1.00 1.00
ATOM 41 H H2O 14 16.376 -8.943 -4.251 1.00 1.00
ATOM 42 H H2O 14 16.446 -7.604 -3.318 1.00 1.00
ATOM 43 O H2O 15 12.955 29.121 6.650 1.00 1.00
ATOM 44 H H2O 15 12.782 28.191 6.327 1.00 1.00
ATOM 45 H H2O 15 13.109 29.723 5.866 1.00 1.00
ATOM 46 O H2O 16 1.068 -3.437 -18.189 1.00 1.00
ATOM 47 H H2O 16 1.005 -2.799 -17.421 1.00 1.00
ATOM 48 H H2O 16 1.990 -3.823 -18.226 1.00 1.00
ATOM 49 O H2O 17 -20.008 8.970 -7.371 1.00 1.00
ATOM 50 H H2O 17 -19.947 8.337 -6.600 1.00 1.00
ATOM 51 H H2O 17 -19.186 8.891 -7.934 1.00 1.00
ATOM 52 O H2O 18 -12.290 11.141 8.448 1.00 1.00
ATOM 53 H H2O 18 -11.387 11.474 8.176 1.00 1.00
ATOM 54 H H2O 18 -12.552 11.562 9.317 1.00 1.00
ATOM 55 O H2O 19 14.025 -1.451 -20.159 1.00 1.00
ATOM 56 H H2O 19 14.859 -1.999 -20.217 1.00 1.00
ATOM 57 H H2O 19 13.820 -1.060 -21.056 1.00 1.00
ATOM 58 O H2O 20 34.057 -1.833 4.969 1.00 1.00
ATOM 59 H H2O 20 34.517 -2.720 4.988 1.00 1.00
ATOM 60 H H2O 20 33.629 -1.660 5.856 1.00 1.00
ATOM 61 O H2O 21 -8.083 -6.762 -1.943 1.00 1.00
ATOM 62 H H2O 21 -7.103 -6.593 -2.050 1.00 1.00
ATOM 63 H H2O 21 -8.496 -6.013 -1.424 1.00 1.00
ATOM 64 O H2O 22 -2.715 16.867 -3.405 1.00 1.00
ATOM 65 H H2O 22 -2.282 17.742 -3.187 1.00 1.00
ATOM 66 H H2O 22 -2.624 16.247 -2.626 1.00 1.00
ATOM 67 O H2O 23 -5.862 16.797 -13.179 1.00 1.00
ATOM 68 H H2O 23 -6.588 16.763 -12.493 1.00 1.00
ATOM 69 H H2O 23 -5.303 17.613 -13.032 1.00 1.00
ATOM 70 O H2O 24 22.819 -3.873 -21.966 1.00 1.00
ATOM 71 H H2O 24 21.903 -4.092 -21.629 1.00 1.00
ATOM 72 H H2O 24 22.771 -3.079 -22.571 1.00 1.00
ATOM 73 O H2O 25 -2.328 -1.302 -2.545 1.00 1.00
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ATOM 75 H H2O 25 -3.116 -1.874 -2.320 1.00 1.00
ATOM 76 O H2O 26 7.626 -13.266 -3.217 1.00 1.00
ATOM 77 H H2O 26 7.981 -13.338 -2.285 1.00 1.00
ATOM 78 H H2O 26 7.628 -14.169 -3.646 1.00 1.00
ATOM 79 O H2O 27 6.705 0.866 -2.768 1.00 1.00
ATOM 80 H H2O 27 7.007 1.384 -1.967 1.00 1.00
ATOM 81 H H2O 27 7.425 0.874 -3.461 1.00 1.00
ATOM 82 O H2O 28 -9.748 30.392 2.626 1.00 1.00
ATOM 83 H H2O 28 -9.709 30.149 1.657 1.00 1.00
ATOM 84 H H2O 28 -9.431 31.333 2.747 1.00 1.00
ATOM 85 O H2O 29 23.148 -7.088 0.201 1.00 1.00
ATOM 86 H H2O 29 23.116 -7.963 -0.283 1.00 1.00
ATOM 87 H H2O 29 23.925 -7.085 0.832 1.00 1.00
ATOM 88 O H2O 30 7.043 29.021 -7.583 1.00 1.00
ATOM 89 H H2O 30 7.100 29.570 -6.750 1.00 1.00
ATOM 90 H H2O 30 7.962 28.742 -7.863 1.00 1.00
ATOM 91 O H2O 31 -17.928 2.218 9.014 1.00 1.00
ATOM 92 H H2O 31 -17.189 2.570 9.587 1.00 1.00
ATOM 93 H H2O 31 -17.546 1.849 8.167 1.00 1.00
ATOM 94 O H2O 32 -0.248 1.168 1.252 1.00 1.00
ATOM 95 H H2O 32 -0.135 1.229 0.260 1.00 1.00
ATOM 96 H H2O 32 0.182 0.330 1.586 1.00 1.00
ATOM 97 O H2O 33 2.552 -23.784 -4.533 1.00 1.00
ATOM 98 H H2O 33 2.451 -23.227 -3.709 1.00 1.00
ATOM 99 H H2O 33 3.048 -24.623 -4.309 1.00 1.00
ATOM 100 O H2O 34 -4.068 3.752 4.660 1.00 1.00
ATOM 101 H H2O 34 -4.488 3.999 3.787 1.00 1.00
ATOM 102 H H2O 34 -3.140 3.414 4.500 1.00 1.00
ATOM 103 O H2O 35 0.097 -12.264 17.583 1.00 1.00
ATOM 104 H H2O 35 -0.768 -12.051 18.037 1.00 1.00
ATOM 105 H H2O 35 0.060 -13.191 17.211 1.00 1.00
ATOM 106 O H2O 36 -7.962 16.865 -11.492 1.00 1.00
ATOM 107 H H2O 36 -7.495 16.943 -10.611 1.00 1.00
ATOM 108 H H2O 36 -8.791 17.426 -11.480 1.00 1.00
ATOM 109 O H2O 37 -12.641 28.393 -23.168 1.00 1.00
ATOM 110 H H2O 37 -11.967 28.250 -22.443 1.00 1.00
ATOM 111 H H2O 37 -13.557 28.431 -22.769 1.00 1.00
ATOM 112 O H2O 38 -1.972 -2.675 -16.884 1.00 1.00
ATOM 113 H H2O 38 -1.029 -2.742 -16.558 1.00 1.00
ATOM 114 H H2O 38 -2.006 -2.909 -17.856 1.00 1.00
ATOM 115 O H2O 39 10.220 13.683 -9.852 1.00 1.00
ATOM 116 H H2O 39 9.230 13.679 -9.714 1.00 1.00
ATOM 117 H H2O 39 10.540 12.748 -10.003 1.00 1.00
ATOM 118 O H2O 40 22.478 7.141 5.381 1.00 1.00
ATOM 119 H H2O 40 23.343 7.506 5.037 1.00 1.00
ATOM 120 H H2O 40 22.570 6.926 6.353 1.00 1.00
ATOM 121 O H2O 41 13.663 -2.057 -2.068 1.00 1.00
ATOM 122 H H2O 41 13.167 -1.412 -2.650 1.00 1.00
ATOM 123 H H2O 41 13.102 -2.287 -1.273 1.00 1.00
ATOM 124 O H2O 42 14.492 13.405 -7.200 1.00 1.00
ATOM 125 H H2O 42 15.203 13.680 -7.847 1.00 1.00
ATOM 126 H H2O 42 14.637 12.453 -6.931 1.00 1.00
ATOM 127 O H2O 43 10.481 6.318 -4.072 1.00 1.00
ATOM 128 H H2O 43 10.475 7.288 -3.830 1.00 1.00
ATOM 129 H H2O 43 9.995 5.796 -3.371 1.00 1.00
ATOM 130 O H2O 44 12.967 21.358 -18.309 1.00 1.00
ATOM 131 H H2O 44 13.361 22.125 -18.815 1.00 1.00
ATOM 132 H H2O 44 12.164 21.015 -18.796 1.00 1.00
ATOM 133 O H2O 45 3.765 9.291 1.496 1.00 1.00
ATOM 134 H H2O 45 3.451 8.425 1.105 1.00 1.00
ATOM 135 H H2O 45 3.938 9.171 2.473 1.00 1.00
ATOM 136 O H2O 46 3.863 16.394 -12.227 1.00 1.00
ATOM 137 H H2O 46 4.817 16.235 -11.972 1.00 1.00
ATOM 138 H H2O 46 3.262 15.927 -11.578 1.00 1.00
ATOM 139 O H2O 47 2.060 -20.648 -3.525 1.00 1.00
ATOM 140 H H2O 47 2.726 -20.788 -4.258 1.00 1.00
ATOM 141 H H2O 47 2.068 -21.439 -2.913 1.00 1.00
ATOM 142 O H2O 48 7.059 -2.542 -3.650 1.00 1.00
ATOM 143 H H2O 48 6.821 -2.434 -2.685 1.00 1.00
ATOM 144 H H2O 48 7.975 -2.175 -3.811 1.00 1.00
ATOM 145 O H2O 49 26.446 -0.662 -11.165 1.00 1.00
ATOM 146 H H2O 49 27.147 -1.051 -10.568 1.00 1.00
ATOM 147 H H2O 49 26.852 0.050 -11.737 1.00 1.00
ATOM 148 O H2O 50 4.666 -25.744 -2.342 1.00 1.00
ATOM 149 H H2O 50 4.235 -26.028 -3.199 1.00 1.00
ATOM 150 H H2O 50 5.364 -25.054 -2.533 1.00 1.00
ATOM 151 O H2O 51 6.809 18.334 -9.439 1.00 1.00
ATOM 152 H H2O 51 6.021 18.332 -8.824 1.00 1.00
ATOM 153 H H2O 51 7.648 18.217 -8.907 1.00 1.00
ATOM 154 O H2O 52 31.577 22.002 3.800 1.00 1.00
ATOM 155 H H2O 52 30.809 22.072 4.436 1.00 1.00
ATOM 156 H H2O 52 32.361 22.502 4.168 1.00 1.00
ATOM 157 O H2O 53 9.515 -6.300 -8.273 1.00 1.00
ATOM 158 H H2O 53 9.428 -5.305 -8.230 1.00 1.00
ATOM 159 H H2O 53 10.087 -6.551 -9.053 1.00 1.00
ATOM 160 O H2O 54 -0.491 -0.094 -9.337 1.00 1.00
ATOM 161 H H2O 54 -0.037 -0.603 -10.068 1.00 1.00
ATOM 162 H H2O 54 -0.055 -0.307 -8.462 1.00 1.00
ATOM 163 O H2O 55 31.632 -7.149 9.557 1.00 1.00
ATOM 164 H H2O 55 31.155 -7.744 8.910 1.00 1.00
ATOM 165 H H2O 55 31.641 -6.213 9.205 1.00 1.00
ATOM 166 O H2O 56 -8.138 -0.572 10.874 1.00 1.00
ATOM 167 H H2O 56 -7.190 -0.669 11.178 1.00 1.00
ATOM 168 H H2O 56 -8.321 0.387 10.655 1.00 1.00
ATOM 169 O H2O 57 -4.040 12.318 1.614 1.00 1.00
ATOM 170 H H2O 57 -3.943 11.445 2.092 1.00 1.00
ATOM 171 H H2O 57 -3.754 13.062 2.217 1.00 1.00
ATOM 172 O H2O 58 10.775 -17.672 4.931 1.00 1.00
ATOM 173 H H2O 58 11.649 -18.102 4.705 1.00 1.00
ATOM 174 H H2O 58 10.397 -17.234 4.115 1.00 1.00
ATOM 175 O H2O 59 4.062 17.908 -8.310 1.00 1.00
ATOM 176 H H2O 59 3.761 17.005 -8.003 1.00 1.00
ATOM 177 H H2O 59 3.284 18.406 -8.692 1.00 1.00
ATOM 178 O H2O 60 6.723 11.217 -9.702 1.00 1.00
ATOM 179 H H2O 60 6.721 10.326 -9.248 1.00 1.00
ATOM 180 H H2O 60 6.421 11.110 -10.649 1.00 1.00
ATOM 181 O H2O 61 0.797 11.667 0.352 1.00 1.00
ATOM 182 H H2O 61 0.370 12.383 0.903 1.00 1.00
ATOM 183 H H2O 61 0.106 11.234 -0.227 1.00 1.00
ATOM 184 O H2O 62 16.689 -7.136 18.209 1.00 1.00
ATOM 185 H H2O 62 15.815 -6.667 18.086 1.00 1.00
ATOM 186 H H2O 62 16.788 -7.409 19.166 1.00 1.00
ATOM 187 O H2O 63 22.739 -0.652 -13.089 1.00 1.00
ATOM 188 H H2O 63 22.491 -1.516 -13.526 1.00 1.00
ATOM 189 H H2O 63 23.267 -0.836 -12.261 1.00 1.00
ATOM 190 O H2O 64 11.672 4.891 13.157 1.00 1.00
ATOM 191 H H2O 64 12.302 5.366 13.772 1.00 1.00
ATOM 192 H H2O 64 11.698 5.324 12.256 1.00 1.00
ATOM 193 O H2O 65 8.986 -1.005 -13.741 1.00 1.00
ATOM 194 H H2O 65 9.818 -0.480 -13.921 1.00 1.00
ATOM 195 H H2O 65 9.204 -1.783 -13.153 1.00 1.00
ATOM 196 O H2O 66 15.217 -12.485 7.390 1.00 1.00
ATOM 197 H H2O 66 16.124 -12.066 7.359 1.00 1.00
ATOM 198 H H2O 66 14.555 -11.821 7.740 1.00 1.00
ATOM 199 O H2O 67 19.570 -0.640 -23.227 1.00 1.00
ATOM 200 H H2O 67 19.657 -0.400 -22.260 1.00 1.00
ATOM 201 H H2O 67 20.387 -0.340 -23.719 1.00 1.00
ATOM 202 O H2O 68 -1.316 10.726 13.765 1.00 1.00
ATOM 203 H H2O 68 -1.627 11.402 13.097 1.00 1.00
ATOM 204 H H2O 68 -1.805 9.866 13.621 1.00 1.00
ATOM 205 O H2O 69 -8.134 -35.816 13.484 1.00 1.00
ATOM 206 H H2O 69 -7.849 -35.889 12.528 1.00 1.00
ATOM 207 H H2O 69 -8.048 -34.867 13.786 1.00 1.00
ATOM 208 O H2O 70 18.609 -24.732 -9.893 1.00 1.00
ATOM 209 H H2O 70 18.642 -24.619 -8.900 1.00 1.00
ATOM 210 H H2O 70 17.655 -24.742 -10.195 1.00 1.00
ATOM 211 O H2O 71 0.156 17.984 4.839 1.00 1.00
ATOM 212 H H2O 71 0.120 18.723 4.165 1.00 1.00
ATOM 213 H H2O 71 0.794 17.280 4.526 1.00 1.00
ATOM 214 O H2O 72 11.052 -29.419 -11.520 1.00 1.00
ATOM 215 H H2O 72 10.333 -30.087 -11.327 1.00 1.00
ATOM 216 H H2O 72 10.965 -29.099 -12.463 1.00 1.00
ATOM 217 O H2O 73 -5.380 -3.445 1.359 1.00 1.00
ATOM 218 H H2O 73 -5.437 -2.454 1.484 1.00 1.00
ATOM 219 H H2O 73 -5.083 -3.872 2.213 1.00 1.00
ATOM 220 O H2O 74 23.758 7.148 -5.626 1.00 1.00
ATOM 221 H H2O 74 24.680 7.308 -5.274 1.00 1.00
ATOM 222 H H2O 74 23.790 6.448 -6.339 1.00 1.00
ATOM 223 O H2O 75 29.778 -12.208 -15.474 1.00 1.00
ATOM 224 H H2O 75 29.247 -11.394 -15.237 1.00 1.00
ATOM 225 H H2O 75 30.226 -12.070 -16.357 1.00 1.00
ATOM 226 O H2O 76 8.714 0.087 -7.381 1.00 1.00
ATOM 227 H H2O 76 8.545 0.194 -6.401 1.00 1.00
ATOM 228 H H2O 76 9.521 -0.486 -7.519 1.00 1.00
ATOM 229 O H2O 77 6.801 -6.141 -1.691 1.00 1.00
ATOM 230 H H2O 77 7.439 -5.578 -1.165 1.00 1.00
ATOM 231 H H2O 77 6.810 -5.850 -2.647 1.00 1.00
ATOM 232 O H2O 78 19.777 -22.522 -10.863 1.00 1.00
ATOM 233 H H2O 78 19.259 -23.304 -10.516 1.00 1.00
ATOM 234 H H2O 78 19.398 -21.677 -10.486 1.00 1.00
ATOM 235 O H2O 79 -12.282 -2.292 -13.746 1.00 1.00
ATOM 236 H H2O 79 -12.965 -3.022 -13.777 1.00 1.00
ATOM 237 H H2O 79 -11.428 -2.617 -14.151 1.00 1.00
ATOM 238 O H2O 80 -30.732 20.386 -18.077 1.00 1.00
ATOM 239 H H2O 80 -30.824 21.224 -18.614 1.00 1.00
ATOM 240 H H2O 80 -30.803 20.604 -17.103 1.00 1.00
ATOM 241 O H2O 81 5.051 -18.728 -14.195 1.00 1.00
ATOM 242 H H2O 81 5.306 -18.851 -13.235 1.00 1.00
ATOM 243 H H2O 81 5.292 -19.550 -14.711 1.00 1.00
ATOM 244 O H2O 82 1.037 16.809 -9.247 1.00 1.00
ATOM 245 H H2O 82 1.382 17.674 -9.611 1.00 1.00
ATOM 246 H H2O 82 0.973 16.137 -9.985 1.00 1.00
ATOM 247 O H2O 83 0.521 18.293 -12.793 1.00 1.00
ATOM 248 H H2O 83 -0.120 19.045 -12.945 1.00 1.00
ATOM 249 H H2O 83 0.069 17.424 -12.993 1.00 1.00
ATOM 250 O H2O 84 24.015 -5.628 -17.049 1.00 1.00
ATOM 251 H H2O 84 23.018 -5.550 -17.044 1.00 1.00
ATOM 252 H H2O 84 24.390 -5.045 -17.769 1.00 1.00
ATOM 253 O H2O 85 14.757 -19.425 -6.655 1.00 1.00
ATOM 254 H H2O 85 14.175 -20.172 -6.336 1.00 1.00
ATOM 255 H H2O 85 15.006 -18.842 -5.882 1.00 1.00
ATOM 256 O H2O 86 -0.342 4.181 -5.105 1.00 1.00
ATOM 257 H H2O 86 0.546 4.251 -4.651 1.00 1.00
ATOM 258 H H2O 86 -0.403 3.305 -5.584 1.00 1.00
ATOM 259 O H2O 87 9.639 -0.729 7.886 1.00 1.00
ATOM 260 H H2O 87 10.607 -0.856 8.106 1.00 1.00
ATOM 261 H H2O 87 9.079 -1.234 8.542 1.00 1.00
ATOM 262 O H2O 88 15.988 -25.215 -2.297 1.00 1.00
ATOM 263 H H2O 88 16.350 -25.029 -1.384 1.00 1.00
ATOM 264 H H2O 88 15.125 -25.714 -2.218 1.00 1.00
ATOM 265 O H2O 89 -3.736 -15.000 7.193 1.00 1.00
ATOM 266 H H2O 89 -4.037 -15.107 8.141 1.00 1.00
ATOM 267 H H2O 89 -4.149 -15.716 6.629 1.00 1.00
ATOM 268 O H2O 90 4.434 -7.867 -1.916 1.00 1.00
ATOM 269 H H2O 90 5.301 -7.398 -1.750 1.00 1.00
ATOM 270 H H2O 90 4.570 -8.855 -1.842 1.00 1.00
ATOM 271 O H2O 91 14.556 -11.544 -13.938 1.00 1.00
ATOM 272 H H2O 91 15.539 -11.573 -14.117 1.00 1.00
ATOM 273 H H2O 91 14.387 -11.727 -12.970 1.00 1.00
ATOM 274 O H2O 92 21.941 -7.223 -9.916 1.00 1.00
ATOM 275 H H2O 92 21.061 -7.509 -9.535 1.00 1.00
ATOM 276 H H2O 92 22.629 -7.207 -9.190 1.00 1.00
ATOM 277 O H2O 93 -2.715 -22.127 8.302 1.00 1.00
ATOM 278 H H2O 93 -2.080 -21.655 7.690 1.00 1.00
ATOM 279 H H2O 93 -2.251 -22.347 9.159 1.00 1.00
ATOM 280 O H2O 94 2.077 -5.652 -9.690 1.00 1.00
ATOM 281 H H2O 94 2.440 -5.306 -10.555 1.00 1.00
ATOM 282 H H2O 94 1.438 -4.986 -9.306 1.00 1.00
ATOM 283 O H2O 95 -8.510 -5.633 -20.574 1.00 1.00
ATOM 284 H H2O 95 -8.570 -4.640 -20.476 1.00 1.00
ATOM 285 H H2O 95 -7.554 -5.918 -20.501 1.00 1.00
ATOM 286 O H2O 96 21.700 -2.737 10.407 1.00 1.00
ATOM 287 H H2O 96 20.801 -3.148 10.255 1.00 1.00
ATOM 288 H H2O 96 22.179 -2.650 9.534 1.00 1.00
ATOM 289 O H2O 97 -7.559 6.844 -4.567 1.00 1.00
ATOM 290 H H2O 97 -7.667 5.876 -4.794 1.00 1.00
ATOM 291 H H2O 97 -7.203 6.930 -3.636 1.00 1.00
ATOM 292 O H2O 98 2.566 -29.943 -3.814 1.00 1.00
ATOM 293 H H2O 98 2.171 -29.885 -2.897 1.00 1.00
ATOM 294 H H2O 98 3.515 -29.630 -3.788 1.00 1.00
ATOM 295 O H2O 99 -0.043 8.006 -11.064 1.00 1.00
ATOM 296 H H2O 99 0.552 7.323 -11.485 1.00 1.00
ATOM 297 H H2O 99 0.350 8.917 -11.193 1.00 1.00
ATOM 298 O H2O 100 -0.066 -17.209 -20.831 1.00 1.00
ATOM 299 H H2O 100 -0.044 -16.572 -21.602 1.00 1.00
ATOM 300 H H2O 100 0.857 -17.553 -20.656 1.00 1.00
ATOM 301 O H2O 101 18.212 -13.272 -27.594 1.00 1.00
ATOM 302 H H2O 101 17.234 -13.482 -27.618 1.00 1.00
ATOM 303 H H2O 101 18.716 -13.976 -28.095 1.00 1.00
ATOM 304 O H2O 102 -15.019 -5.744 -4.488 1.00 1.00
ATOM 305 H H2O 102 -15.033 -5.854 -3.494 1.00 1.00
ATOM 306 H H2O 102 -14.730 -4.815 -4.716 1.00 1.00
ATOM 307 O H2O 103 18.977 -7.646 -15.845 1.00 1.00
ATOM 308 H H2O 103 18.244 -7.976 -16.440 1.00 1.00
ATOM 309 H H2O 103 18.772 -7.890 -14.897 1.00 1.00
ATOM 310 O H2O 104 -16.644 -10.746 -4.575 1.00 1.00
ATOM 311 H H2O 104 -16.422 -9.827 -4.250 1.00 1.00
ATOM 312 H H2O 104 -16.875 -11.328 -3.795 1.00 1.00
ATOM 313 O H2O 105 13.627 -23.098 3.808 1.00 1.00
ATOM 314 H H2O 105 14.504 -22.702 4.078 1.00 1.00
ATOM 315 H H2O 105 13.086 -23.298 4.626 1.00 1.00
ATOM 316 O H2O 106 12.925 -6.747 -14.290 1.00 1.00
ATOM 317 H H2O 106 12.754 -5.881 -14.759 1.00 1.00
ATOM 318 H H2O 106 12.059 -7.228 -14.151 1.00 1.00
ATOM 319 O H2O 107 14.919 -5.574 -5.153 1.00 1.00
ATOM 320 H H2O 107 14.226 -6.245 -5.420 1.00 1.00
ATOM 321 H H2O 107 15.645 -6.031 -4.639 1.00 1.00
ATOM 322 O H2O 108 6.997 -24.519 -12.440 1.00 1.00
ATOM 323 H H2O 108 7.073 -24.731 -11.466 1.00 1.00
ATOM 324 H H2O 108 7.680 -25.042 -12.949 1.00 1.00
ATOM 325 O H2O 109 5.288 20.499 -3.925 1.00 1.00
ATOM 326 H H2O 109 5.989 21.206 -3.835 1.00 1.00
ATOM 327 H H2O 109 5.586 19.818 -4.594 1.00 1.00
ATOM 328 O H2O 110 -1.279 16.156 -12.951 1.00 1.00
ATOM 329 H H2O 110 -1.751 15.921 -12.102 1.00 1.00
ATOM 330 H H2O 110 -1.948 16.433 -13.640 1.00 1.00
ATOM 331 O H2O 111 -11.911 6.259 -20.568 1.00 1.00
ATOM 332 H H2O 111 -11.745 5.890 -21.483 1.00 1.00
ATOM 333 H H2O 111 -11.045 6.552 -20.164 1.00 1.00
ATOM 334 O H2O 112 7.745 8.545 7.301 1.00 1.00
ATOM 335 H H2O 112 8.054 9.271 7.916 1.00 1.00
ATOM 336 H H2O 112 7.093 7.958 7.779 1.00 1.00
ATOM 337 O H2O 113 -5.735 4.479 -18.307 1.00 1.00
ATOM 338 H H2O 113 -5.054 4.380 -19.032 1.00 1.00
ATOM 339 H H2O 113 -6.004 3.574 -17.977 1.00 1.00
ATOM 340 O H2O 114 27.381 -28.207 3.244 1.00 1.00
ATOM 341 H H2O 114 26.758 -28.937 3.523 1.00 1.00
ATOM 342 H H2O 114 28.022 -28.014 3.987 1.00 1.00
ATOM 343 O H2O 115 27.932 6.790 0.603 1.00 1.00
ATOM 344 H H2O 115 28.642 6.109 0.426 1.00 1.00
ATOM 345 H H2O 115 27.328 6.857 -0.191 1.00 1.00
ATOM 346 O H2O 116 13.425 -10.699 8.716 1.00 1.00
ATOM 347 H H2O 116 13.735 -11.097 9.579 1.00 1.00
ATOM 348 H H2O 116 12.450 -10.886 8.593 1.00 1.00
ATOM 349 O H2O 117 -14.488 -21.899 -5.024 1.00 1.00
ATOM 350 H H2O 117 -14.830 -21.177 -4.422 1.00 1.00
ATOM 351 H H2O 117 -14.619 -21.627 -5.978 1.00 1.00
ATOM 352 O H2O 118 13.339 2.773 18.773 1.00 1.00
ATOM 353 H H2O 118 13.671 1.833 18.849 1.00 1.00
ATOM 354 H H2O 118 12.638 2.937 19.467 1.00 1.00
ATOM 355 O H2O 119 16.031 -1.498 1.946 1.00 1.00
ATOM 356 H H2O 119 16.506 -0.956 1.252 1.00 1.00
ATOM 357 H H2O 119 15.159 -1.063 2.168 1.00 1.00
ATOM 358 O H2O 120 -0.005 11.486 -18.853 1.00 1.00
ATOM 359 H H2O 120 -0.447 11.138 -19.680 1.00 1.00
ATOM 360 H H2O 120 -0.695 11.639 -18.146 1.00 1.00
ATOM 361 O H2O 121 19.004 -26.049 -12.410 1.00 1.00
ATOM 362 H H2O 121 19.170 -27.027 -12.285 1.00 1.00
ATOM 363 H H2O 121 19.129 -25.576 -11.537 1.00 1.00
ATOM 364 O H2O 122 1.479 -17.219 -5.137 1.00 1.00
ATOM 365 H H2O 122 1.536 -16.224 -5.225 1.00 1.00
ATOM 366 H H2O 122 1.700 -17.645 -6.014 1.00 1.00
ATOM 367 O H2O 123 -5.557 -5.909 -2.480 1.00 1.00
ATOM 368 H H2O 123 -5.036 -5.984 -1.629 1.00 1.00
ATOM 369 H H2O 123 -4.982 -5.499 -3.187 1.00 1.00
ATOM 370 O H2O 124 10.338 -6.027 -1.911 1.00 1.00
ATOM 371 H H2O 124 11.259 -6.332 -1.671 1.00 1.00
ATOM 372 H H2O 124 9.846 -5.767 -1.080 1.00 1.00
ATOM 373 O H2O 125 19.283 -10.858 -26.852 1.00 1.00
ATOM 374 H H2O 125 18.820 -10.189 -26.271 1.00 1.00
ATOM 375 H H2O 125 18.641 -11.581 -27.106 1.00 1.00
ATOM 376 O H2O 126 13.313 -5.561 -21.085 1.00 1.00
ATOM 377 H H2O 126 13.473 -6.190 -20.325 1.00 1.00
ATOM 378 H H2O 126 14.144 -5.484 -21.635 1.00 1.00
ATOM 379 O H2O 127 2.789 10.856 8.943 1.00 1.00
ATOM 380 H H2O 127 2.217 11.348 9.599 1.00 1.00
ATOM 381 H H2O 127 3.587 11.413 8.713 1.00 1.00
ATOM 382 O H2O 128 -9.299 -3.144 -5.466 1.00 1.00
ATOM 383 H H2O 128 -9.572 -4.083 -5.256 1.00 1.00
ATOM 384 H H2O 128 -8.352 -3.000 -5.180 1.00 1.00
ATOM 385 O H2O 129 18.277 -9.723 4.013 1.00 1.00
ATOM 386 H H2O 129 18.275 -10.617 3.566 1.00 1.00
ATOM 387 H H2O 129 19.068 -9.657 4.622 1.00 1.00
ATOM 388 O H2O 130 7.836 -2.638 14.361 1.00 1.00
ATOM 389 H H2O 130 7.508 -1.735 14.641 1.00 1.00
ATOM 390 H H2O 130 8.835 -2.631 14.319 1.00 1.00
ATOM 391 O H2O 131 15.499 11.503 21.883 1.00 1.00
ATOM 392 H H2O 131 15.279 12.465 22.044 1.00 1.00
ATOM 393 H H2O 131 15.093 11.208 21.018 1.00 1.00
ATOM 394 O H2O 132 4.819 -4.337 -25.222 1.00 1.00
ATOM 395 H H2O 132 4.887 -4.351 -26.220 1.00 1.00
ATOM 396 H H2O 132 4.495 -5.226 -24.898 1.00 1.00
ATOM 397 O H2O 133 -1.671 -9.491 -1.131 1.00 1.00
ATOM 398 H H2O 133 -0.875 -10.031 -1.404 1.00 1.00
ATOM 399 H H2O 133 -2.350 -10.090 -0.707 1.00 1.00
ATOM 400 O H2O 134 6.422 21.481 17.825 1.00 1.00
ATOM 401 H H2O 134 6.238 21.461 16.842 1.00 1.00
ATOM 402 H H2O 134 6.141 20.614 18.235 1.00 1.00
ATOM 403 O H2O 135 -4.631 6.039 15.821 1.00 1.00
ATOM 404 H H2O 135 -4.011 6.816 15.929 1.00 1.00
ATOM 405 H H2O 135 -4.229 5.230 16.249 1.00 1.00
ATOM 406 O H2O 136 15.956 -8.372 4.637 1.00 1.00
ATOM 407 H H2O 136 16.052 -7.398 4.432 1.00 1.00
ATOM 408 H H2O 136 16.815 -8.841 4.435 1.00 1.00
ATOM 409 O H2O 137 21.979 0.867 -28.953 1.00 1.00
ATOM 410 H H2O 137 22.100 0.553 -29.895 1.00 1.00
ATOM 411 H H2O 137 21.876 1.861 -28.943 1.00 1.00
ATOM 412 O H2O 138 2.507 6.700 4.909 1.00 1.00
ATOM 413 H H2O 138 2.369 6.238 4.033 1.00 1.00
ATOM 414 H H2O 138 3.048 7.530 4.767 1.00 1.00
ATOM 415 O H2O 139 5.060 -17.254 22.275 1.00 1.00
ATOM 416 H H2O 139 5.310 -16.495 22.877 1.00 1.00
ATOM 417 H H2O 139 4.064 -17.313 22.209 1.00 1.00
ATOM 418 O H2O 140 16.996 6.004 6.947 1.00 1.00
ATOM 419 H H2O 140 17.459 5.151 6.705 1.00 1.00
ATOM 420 H H2O 140 16.705 5.965 7.903 1.00 1.00
ATOM 421 O H2O 141 10.897 14.059 33.085 1.00 1.00
ATOM 422 H H2O 141 10.262 13.433 32.632 1.00 1.00
ATOM 423 H H2O 141 10.917 14.929 32.592 1.00 1.00
ATOM 424 O H2O 142 8.125 15.794 11.310 1.00 1.00
ATOM 425 H H2O 142 7.540 16.008 12.092 1.00 1.00
ATOM 426 H H2O 142 7.845 16.346 10.524 1.00 1.00
ATOM 427 O H2O 143 7.936 3.437 12.568 1.00 1.00
ATOM 428 H H2O 143 8.546 3.653 11.805 1.00 1.00
ATOM 429 H H2O 143 7.576 2.511 12.455 1.00 1.00
ATOM 430 O H2O 144 -4.985 1.166 -2.234 1.00 1.00
ATOM 431 H H2O 144 -5.469 0.336 -1.954 1.00 1.00
ATOM 432 H H2O 144 -4.240 0.924 -2.855 1.00 1.00
ATOM 433 O H2O 145 14.981 8.808 -2.221 1.00 1.00
ATOM 434 H H2O 145 14.412 9.315 -1.574 1.00 1.00
ATOM 435 H H2O 145 15.573 9.445 -2.715 1.00 1.00
ATOM 436 O H2O 146 12.112 10.189 5.223 1.00 1.00
ATOM 437 H H2O 146 11.869 9.219 5.247 1.00 1.00
ATOM 438 H H2O 146 11.591 10.681 5.920 1.00 1.00
ATOM 439 O H2O 147 11.944 12.850 -3.443 1.00 1.00
ATOM 440 H H2O 147 11.659 13.183 -2.544 1.00 1.00
ATOM 441 H H2O 147 12.048 13.624 -4.068 1.00 1.00
ATOM 442 O H2O 148 6.634 14.498 18.113 1.00 1.00
ATOM 443 H H2O 148 5.832 15.095 18.124 1.00 1.00
ATOM 444 H H2O 148 6.927 14.317 19.052 1.00 1.00
ATOM 445 O H2O 149 1.724 -10.002 13.707 1.00 1.00
ATOM 446 H H2O 149 1.638 -9.870 12.719 1.00 1.00
ATOM 447 H H2O 149 1.412 -10.921 13.948 1.00 1.00
ATOM 448 O H2O 150 13.382 17.371 19.169 1.00 1.00
ATOM 449 H H2O 150 13.639 16.405 19.171 1.00 1.00
ATOM 450 H H2O 150 12.385 17.451 19.147 1.00 1.00
ATOM 451 O H2O 151 -12.724 24.325 9.045 1.00 1.00
ATOM 452 H H2O 151 -11.905 24.483 8.493 1.00 1.00
ATOM 453 H H2O 151 -12.495 23.736 9.820 1.00 1.00
ATOM 454 O H2O 152 14.389 18.331 13.048 1.00 1.00
ATOM 455 H H2O 152 13.825 18.258 12.225 1.00 1.00
ATOM 456 H H2O 152 13.854 18.049 13.845 1.00 1.00
ATOM 457 O H2O 153 9.523 -10.352 2.189 1.00 1.00
ATOM 458 H H2O 153 10.410 -10.643 2.548 1.00 1.00
ATOM 459 H H2O 153 9.177 -9.589 2.735 1.00 1.00
ATOM 460 O H2O 154 1.730 0.693 17.811 1.00 1.00
ATOM 461 H H2O 154 1.798 1.052 18.742 1.00 1.00
ATOM 462 H H2O 154 2.632 0.392 17.502 1.00 1.00
ATOM 463 O H2O 155 15.714 4.667 -9.012 1.00 1.00
ATOM 464 H H2O 155 15.739 5.154 -8.139 1.00 1.00
ATOM 465 H H2O 155 14.816 4.244 -9.133 1.00 1.00
ATOM 466 O H2O 156 3.775 -11.961 30.319 1.00 1.00
ATOM 467 H H2O 156 3.827 -12.893 29.961 1.00 1.00
ATOM 468 H H2O 156 2.830 -11.754 30.574 1.00 1.00
ATOM 469 O H2O 157 7.443 -2.313 8.824 1.00 1.00
ATOM 470 H H2O 157 7.567 -1.824 9.687 1.00 1.00
ATOM 471 H H2O 157 6.491 -2.231 8.528 1.00 1.00
ATOM 472 O H2O 158 14.782 10.553 19.236 1.00 1.00
ATOM 473 H H2O 158 13.810 10.395 19.412 1.00 1.00
ATOM 474 H H2O 158 15.196 9.716 18.879 1.00 1.00
ATOM 475 O H2O 159 11.382 -13.308 0.072 1.00 1.00
ATOM 476 H H2O 159 11.820 -12.415 -0.033 1.00 1.00
ATOM 477 H H2O 159 12.038 -14.029 -0.153 1.00 1.00
ATOM 478 O H2O 160 3.355 2.236 6.493 1.00 1.00
ATOM 479 H H2O 160 3.111 2.648 7.371 1.00 1.00
ATOM 480 H H2O 160 3.100 2.857 5.752 1.00 1.00
ATOM 481 O H2O 161 9.581 3.519 10.268 1.00 1.00
ATOM 482 H H2O 161 10.305 4.143 9.972 1.00 1.00
ATOM 483 H H2O 161 9.944 2.590 10.326 1.00 1.00
ATOM 484 O H2O 162 18.692 9.865 -4.608 1.00 1.00
ATOM 485 H H2O 162 18.583 10.519 -5.356 1.00 1.00
ATOM 486 H H2O 162 18.738 8.938 -4.980 1.00 1.00
ATOM 487 O H2O 163 1.120 12.371 11.037 1.00 1.00
ATOM 488 H H2O 163 0.974 13.351 10.900 1.00 1.00
ATOM 489 H H2O 163 1.266 12.188 12.009 1.00 1.00
ATOM 490 O H2O 164 0.532 -7.466 1.598 1.00 1.00
ATOM 491 H H2O 164 0.865 -8.058 2.333 1.00 1.00
ATOM 492 H H2O 164 1.010 -7.688 0.749 1.00 1.00
ATOM 493 O H2O 165 6.904 -0.308 15.316 1.00 1.00
ATOM 494 H H2O 165 6.024 0.059 15.618 1.00 1.00
ATOM 495 H H2O 165 7.597 -0.129 16.014 1.00 1.00
ATOM 496 O H2O 166 7.950 26.122 -18.228 1.00 1.00
ATOM 497 H H2O 166 8.590 26.788 -18.614 1.00 1.00
ATOM 498 H H2O 166 8.462 25.382 -17.792 1.00 1.00
ATOM 499 O H2O 167 -12.750 1.530 6.128 1.00 1.00
ATOM 500 H H2O 167 -13.311 1.003 5.490 1.00 1.00
ATOM 501 H H2O 167 -12.698 1.048 7.003 1.00 1.00
ATOM 502 O H2O 168 -4.539 25.629 10.589 1.00 1.00
ATOM 503 H H2O 168 -3.664 25.262 10.906 1.00 1.00
ATOM 504 H H2O 168 -5.167 25.709 11.363 1.00 1.00
ATOM 505 O H2O 169 34.806 7.229 14.181 1.00 1.00
ATOM 506 H H2O 169 35.366 7.947 14.594 1.00 1.00
ATOM 507 H H2O 169 35.366 6.690 13.552 1.00 1.00
ATOM 508 O H2O 170 -3.366 0.377 14.762 1.00 1.00
ATOM 509 H H2O 170 -3.989 1.015 15.214 1.00 1.00
ATOM 510 H H2O 170 -2.472 0.410 15.209 1.00 1.00
ATOM 511 O H2O 171 -17.296 7.611 27.904 1.00 1.00
ATOM 512 H H2O 171 -16.361 7.965 27.868 1.00 1.00
ATOM 513 H H2O 171 -17.854 8.202 28.487 1.00 1.00
ATOM 514 O H2O 172 -1.360 17.478 -7.931 1.00 1.00
ATOM 515 H H2O 172 -1.557 16.798 -7.224 1.00 1.00
ATOM 516 H H2O 172 -0.455 17.303 -8.318 1.00 1.00
ATOM 517 O H2O 173 8.778 3.729 5.628 1.00 1.00
ATOM 518 H H2O 173 9.003 4.510 6.209 1.00 1.00
ATOM 519 H H2O 173 9.374 3.728 4.825 1.00 1.00
ATOM 520 O H2O 174 29.655 26.980 2.671 1.00 1.00
ATOM 521 H H2O 174 28.888 27.344 3.199 1.00 1.00
ATOM 522 H H2O 174 30.050 26.197 3.152 1.00 1.00
ATOM 523 O H2O 175 0.113 34.162 1.788 1.00 1.00
ATOM 524 H H2O 175 0.624 35.001 1.602 1.00 1.00
ATOM 525 H H2O 175 -0.053 33.676 0.929 1.00 1.00
ATOM 526 O H2O 176 -6.651 1.437 6.127 1.00 1.00
ATOM 527 H H2O 176 -6.045 1.530 6.917 1.00 1.00
ATOM 528 H H2O 176 -7.603 1.498 6.428 1.00 1.00
ATOM 529 O H2O 177 5.988 13.729 32.105 1.00 1.00
ATOM 530 H H2O 177 5.358 13.524 31.356 1.00 1.00
ATOM 531 H H2O 177 6.827 14.127 31.735 1.00 1.00
ATOM 532 O H2O 178 11.563 14.079 12.736 1.00 1.00
ATOM 533 H H2O 178 12.535 14.118 12.967 1.00 1.00
ATOM 534 H H2O 178 11.029 13.920 13.566 1.00 1.00
ATOM 535 O H2O 179 10.634 25.304 4.431 1.00 1.00
ATOM 536 H H2O 179 10.855 25.020 3.498 1.00 1.00
ATOM 537 H H2O 179 9.770 24.885 4.710 1.00 1.00
ATOM 538 O H2O 180 5.183 7.276 8.093 1.00 1.00
ATOM 539 H H2O 180 4.724 6.571 7.552 1.00 1.00
ATOM 540 H H2O 180 5.597 6.859 8.902 1.00 1.00
ATOM 541 O H2O 181 1.495 30.699 2.637 1.00 1.00
ATOM 542 H H2O 181 0.604 31.143 2.549 1.00 1.00
ATOM 543 H H2O 181 2.102 31.023 1.911 1.00 1.00
ATOM 544 O H2O 182 -9.760 14.245 -2.563 1.00 1.00
ATOM 545 H H2O 182 -9.327 14.118 -3.455 1.00 1.00
ATOM 546 H H2O 182 -10.576 14.814 -2.667 1.00 1.00
ATOM 547 O H2O 183 -5.104 -12.183 8.972 1.00 1.00
ATOM 548 H H2O 183 -4.690 -11.509 9.583 1.00 1.00
ATOM 549 H H2O 183 -5.144 -13.070 9.432 1.00 1.00
ATOM 550 O H2O 184 -15.726 6.258 17.088 1.00 1.00
ATOM 551 H H2O 184 -15.533 6.256 16.107 1.00 1.00
ATOM 552 H H2O 184 -16.685 6.498 17.239 1.00 1.00
ATOM 553 O H2O 185 12.632 14.491 16.049 1.00 1.00
ATOM 554 H H2O 185 11.802 14.049 15.707 1.00 1.00
ATOM 555 H H2O 185 13.012 13.951 16.800 1.00 1.00
ATOM 556 O H2O 186 1.931 -3.508 -5.870 1.00 1.00
ATOM 557 H H2O 186 1.993 -3.948 -4.974 1.00 1.00
ATOM 558 H H2O 186 2.485 -4.016 -6.530 1.00 1.00
ATOM 559 O H2O 187 6.099 5.023 -11.296 1.00 1.00
ATOM 560 H H2O 187 6.940 4.545 -11.548 1.00 1.00
ATOM 561 H H2O 187 5.428 4.361 -10.960 1.00 1.00
ATOM 562 O H2O 188 19.057 19.072 -7.825 1.00 1.00
ATOM 563 H H2O 188 19.851 18.472 -7.724 1.00 1.00
ATOM 564 H H2O 188 18.236 18.595 -7.510 1.00 1.00
ATOM 565 O H2O 189 9.236 -3.653 -8.086 1.00 1.00
ATOM 566 H H2O 189 8.335 -3.219 -8.078 1.00 1.00
ATOM 567 H H2O 189 9.930 -2.977 -8.335 1.00 1.00
ATOM 568 O H2O 190 7.785 -8.830 28.916 1.00 1.00
ATOM 569 H H2O 190 7.581 -7.854 28.833 1.00 1.00
ATOM 570 H H2O 190 6.936 -9.354 28.857 1.00 1.00
ATOM 571 O H2O 191 2.589 -2.934 25.487 1.00 1.00
ATOM 572 H H2O 191 3.501 -3.310 25.323 1.00 1.00
ATOM 573 H H2O 191 2.392 -2.950 26.467 1.00 1.00
ATOM 574 O H2O 192 15.289 0.590 16.506 1.00 1.00
ATOM 575 H H2O 192 15.802 -0.266 16.437 1.00 1.00
ATOM 576 H H2O 192 15.055 0.913 15.590 1.00 1.00
ATOM 577 O H2O 193 6.789 -15.531 29.822 1.00 1.00
ATOM 578 H H2O 193 7.231 -14.645 29.688 1.00 1.00
ATOM 579 H H2O 193 7.102 -15.934 30.682 1.00 1.00
ATOM 580 O H2O 194 18.789 -13.707 0.068 1.00 1.00
ATOM 581 H H2O 194 19.680 -13.411 0.412 1.00 1.00
ATOM 582 H H2O 194 18.733 -13.522 -0.913 1.00 1.00
ATOM 583 O H2O 195 -6.091 6.614 -2.143 1.00 1.00
ATOM 584 H H2O 195 -5.115 6.644 -1.925 1.00 1.00
ATOM 585 H H2O 195 -6.597 6.255 -1.359 1.00 1.00
ATOM 586 O H2O 196 25.551 -20.613 -0.383 1.00 1.00
ATOM 587 H H2O 196 26.432 -21.023 -0.145 1.00 1.00
ATOM 588 H H2O 196 24.959 -20.604 0.422 1.00 1.00
ATOM 589 O H2O 197 -15.229 -22.132 17.310 1.00 1.00
ATOM 590 H H2O 197 -14.969 -21.774 16.413 1.00 1.00
ATOM 591 H H2O 197 -15.765 -22.968 17.192 1.00 1.00
ATOM 592 O H2O 198 -1.943 -20.085 13.842 1.00 1.00
ATOM 593 H H2O 198 -1.799 -19.368 13.160 1.00 1.00
ATOM 594 H H2O 198 -2.434 -20.849 13.424 1.00 1.00
ATOM 595 O H2O 199 -7.456 -11.345 16.141 1.00 1.00
ATOM 596 H H2O 199 -6.849 -12.108 16.368 1.00 1.00
ATOM 597 H H2O 199 -7.446 -11.193 15.153 1.00 1.00
ATOM 598 O H2O 200 -14.806 8.684 2.818 1.00 1.00
ATOM 599 H H2O 200 -14.486 8.343 1.934 1.00 1.00
ATOM 600 H H2O 200 -14.459 9.611 2.963 1.00 1.00
ATOM 601 O H2O 201 28.134 -21.592 25.097 1.00 1.00
ATOM 602 H H2O 201 28.336 -22.249 25.824 1.00 1.00
ATOM 603 H H2O 201 28.910 -20.971 24.984 1.00 1.00
ATOM 604 O H2O 202 -3.479 -16.513 17.190 1.00 1.00
ATOM 605 H H2O 202 -2.892 -16.581 17.996 1.00 1.00
ATOM 606 H H2O 202 -4.426 -16.703 17.450 1.00 1.00
ATOM 607 O H2O 203 18.707 -20.649 9.641 1.00 1.00
ATOM 608 H H2O 203 18.907 -21.531 9.214 1.00 1.00
ATOM 609 H H2O 203 19.303 -19.947 9.251 1.00 1.00
ATOM 610 O H2O 204 23.304 -4.830 -6.913 1.00 1.00
ATOM 611 H H2O 204 23.187 -4.566 -5.956 1.00 1.00
ATOM 612 H H2O 204 23.230 -5.824 -6.997 1.00 1.00
ATOM 613 O H2O 205 18.289 -20.379 14.653 1.00 1.00
ATOM 614 H H2O 205 17.471 -20.237 15.211 1.00 1.00
ATOM 615 H H2O 205 19.021 -19.780 14.977 1.00 1.00
ATOM 616 O H2O 206 5.992 -26.165 19.247 1.00 1.00
ATOM 617 H H2O 206 6.273 -26.921 18.656 1.00 1.00
ATOM 618 H H2O 206 6.392 -26.286 20.156 1.00 1.00
ATOM 619 O H2O 207 0.586 -9.429 7.976 1.00 1.00
ATOM 620 H H2O 207 0.766 -8.450 8.073 1.00 1.00
ATOM 621 H H2O 207 -0.386 -9.571 7.788 1.00 1.00
ATOM 622 O H2O 208 6.940 -5.640 3.726 1.00 1.00
ATOM 623 H H2O 208 6.889 -4.642 3.708 1.00 1.00
ATOM 624 H H2O 208 6.358 -5.991 4.459 1.00 1.00
ATOM 625 O H2O 209 15.592 -19.578 12.170 1.00 1.00
ATOM 626 H H2O 209 15.782 -20.406 12.697 1.00 1.00
ATOM 627 H H2O 209 14.872 -19.052 12.623 1.00 1.00
ATOM 628 O H2O 210 18.308 -3.210 20.176 1.00 1.00
ATOM 629 H H2O 210 18.139 -3.013 21.142 1.00 1.00
ATOM 630 H H2O 210 19.037 -3.891 20.098 1.00 1.00
ATOM 631 O H2O 211 4.070 10.827 19.440 1.00 1.00
ATOM 632 H H2O 211 4.372 10.320 18.632 1.00 1.00
ATOM 633 H H2O 211 3.071 10.821 19.483 1.00 1.00
ATOM 634 O H2O 212 2.267 3.604 -20.673 1.00 1.00
ATOM 635 H H2O 212 2.185 4.456 -21.190 1.00 1.00
ATOM 636 H H2O 212 1.356 3.273 -20.428 1.00 1.00
ATOM 637 O H2O 213 -15.942 -7.442 26.268 1.00 1.00
ATOM 638 H H2O 213 -16.387 -8.307 26.037 1.00 1.00
ATOM 639 H H2O 213 -15.019 -7.622 26.608 1.00 1.00
ATOM 640 O H2O 214 4.421 -2.781 5.430 1.00 1.00
ATOM 641 H H2O 214 4.476 -1.831 5.735 1.00 1.00
ATOM 642 H H2O 214 4.055 -3.348 6.168 1.00 1.00
ATOM 643 O H2O 215 -2.384 0.001 6.662 1.00 1.00
ATOM 644 H H2O 215 -2.784 0.850 7.008 1.00 1.00
ATOM 645 H H2O 215 -2.377 -0.684 7.390 1.00 1.00
ATOM 646 O H2O 216 -4.155 -10.242 10.839 1.00 1.00
ATOM 647 H H2O 216 -4.837 -9.907 11.489 1.00 1.00
ATOM 648 H H2O 216 -3.669 -9.467 10.436 1.00 1.00
ATOM 649 O H2O 217 11.124 -1.443 17.069 1.00 1.00
ATOM 650 H H2O 217 11.504 -0.934 16.297 1.00 1.00
ATOM 651 H H2O 217 11.866 -1.883 17.576 1.00 1.00
ATOM 652 O H2O 218 -2.329 25.021 4.079 1.00 1.00
ATOM 653 H H2O 218 -2.143 24.124 3.678 1.00 1.00
ATOM 654 H H2O 218 -2.141 24.993 5.060 1.00 1.00
ATOM 655 O H2O 219 2.284 -19.033 -14.645 1.00 1.00
ATOM 656 H H2O 219 2.000 -18.267 -15.222 1.00 1.00
ATOM 657 H H2O 219 3.279 -19.023 -14.544 1.00 1.00
ATOM 658 O H2O 220 3.225 -7.494 -4.381 1.00 1.00
ATOM 659 H H2O 220 2.775 -6.607 -4.283 1.00 1.00
ATOM 660 H H2O 220 3.755 -7.692 -3.556 1.00 1.00
ATOM 661 O H2O 221 19.147 1.064 -7.263 1.00 1.00
ATOM 662 H H2O 221 19.414 0.250 -6.748 1.00 1.00
ATOM 663 H H2O 221 18.301 1.437 -6.882 1.00 1.00
ATOM 664 O H2O 222 -7.208 -15.838 1.492 1.00 1.00
ATOM 665 H H2O 222 -6.395 -16.417 1.550 1.00 1.00
ATOM 666 H H2O 222 -6.985 -14.999 0.997 1.00 1.00
ATOM 667 O H2O 223 16.004 4.915 0.025 1.00 1.00
ATOM 668 H H2O 223 16.191 4.456 -0.843 1.00 1.00
ATOM 669 H H2O 223 16.047 5.906 -0.105 1.00 1.00
ATOM 670 O H2O 224 4.132 -8.343 28.376 1.00 1.00
ATOM 671 H H2O 224 4.572 -9.238 28.449 1.00 1.00
ATOM 672 H H2O 224 4.595 -7.800 27.676 1.00 1.00
ATOM 673 O H2O 225 -1.935 2.536 3.115 1.00 1.00
ATOM 674 H H2O 225 -1.615 2.516 2.168 1.00 1.00
ATOM 675 H H2O 225 -2.228 1.620 3.388 1.00 1.00
ATOM 676 O H2O 226 -2.205 13.284 -12.659 1.00 1.00
ATOM 677 H H2O 226 -2.972 13.723 -13.125 1.00 1.00
ATOM 678 H H2O 226 -1.780 13.935 -12.030 1.00 1.00
ATOM 679 O H2O 227 -5.859 -6.442 5.010 1.00 1.00
ATOM 680 H H2O 227 -5.873 -5.921 5.863 1.00 1.00
ATOM 681 H H2O 227 -5.677 -7.404 5.210 1.00 1.00
ATOM 682 O H2O 228 2.872 -41.160 13.220 1.00 1.00
ATOM 683 H H2O 228 2.517 -42.093 13.159 1.00 1.00
ATOM 684 H H2O 228 3.494 -40.989 12.456 1.00 1.00
ATOM 685 O H2O 229 -5.683 -13.446 16.140 1.00 1.00
ATOM 686 H H2O 229 -4.684 -13.430 16.162 1.00 1.00
ATOM 687 H H2O 229 -5.992 -14.199 15.558 1.00 1.00
ATOM 688 O H2O 230 -9.253 -11.060 0.106 1.00 1.00
ATOM 689 H H2O 230 -9.632 -11.343 -0.775 1.00 1.00
ATOM 690 H H2O 230 -8.509 -10.409 -0.044 1.00 1.00
ATOM 691 O H2O 231 4.681 -24.729 17.194 1.00 1.00
ATOM 692 H H2O 231 4.570 -23.737 17.243 1.00 1.00
ATOM 693 H H2O 231 5.330 -25.027 17.895 1.00 1.00
ATOM 694 O H2O 232 13.120 -15.675 0.287 1.00 1.00
ATOM 695 H H2O 232 13.564 -15.432 1.150 1.00 1.00
ATOM 696 H H2O 232 12.765 -16.608 0.346 1.00 1.00
ATOM 697 O H2O 233 14.072 -8.215 0.548 1.00 1.00
ATOM 698 H H2O 233 14.266 -9.158 0.278 1.00 1.00
ATOM 699 H H2O 233 14.933 -7.727 0.694 1.00 1.00
ATOM 700 O H2O 234 0.848 -2.579 -13.021 1.00 1.00
ATOM 701 H H2O 234 0.089 -3.045 -12.565 1.00 1.00
ATOM 702 H H2O 234 1.142 -1.801 -12.467 1.00 1.00
ATOM 703 O H2O 235 -14.581 -7.827 18.685 1.00 1.00
ATOM 704 H H2O 235 -14.702 -7.074 19.331 1.00 1.00
ATOM 705 H H2O 235 -14.760 -7.502 17.756 1.00 1.00
ATOM 706 O H2O 236 6.447 -8.940 -11.375 1.00 1.00
ATOM 707 H H2O 236 6.738 -9.807 -10.971 1.00 1.00
ATOM 708 H H2O 236 6.704 -8.186 -10.770 1.00 1.00
ATOM 709 O H2O 237 8.844 -5.008 -0.154 1.00 1.00
ATOM 710 H H2O 237 8.642 -4.079 0.158 1.00 1.00
ATOM 711 H H2O 237 8.737 -5.646 0.608 1.00 1.00
ATOM 712 O H2O 238 11.896 -10.654 -0.918 1.00 1.00
ATOM 713 H H2O 238 11.534 -10.203 -0.101 1.00 1.00
ATOM 714 H H2O 238 12.231 -9.963 -1.558 1.00 1.00
ATOM 715 O H2O 239 2.810 1.525 12.696 1.00 1.00
ATOM 716 H H2O 239 3.530 1.195 12.086 1.00 1.00
ATOM 717 H H2O 239 3.214 2.091 13.414 1.00 1.00
ATOM 718 O H2O 240 13.776 -1.650 -35.936 1.00 1.00
ATOM 719 H H2O 240 13.491 -1.722 -36.891 1.00 1.00
ATOM 720 H H2O 240 14.101 -2.541 -35.617 1.00 1.00
ATOM 721 O H2O 241 0.900 -9.790 10.662 1.00 1.00
ATOM 722 H H2O 241 0.123 -9.398 11.154 1.00 1.00
ATOM 723 H H2O 241 0.884 -9.479 9.712 1.00 1.00
ATOM 724 O H2O 242 8.838 -4.538 7.992 1.00 1.00
ATOM 725 H H2O 242 8.443 -3.776 8.505 1.00 1.00
ATOM 726 H H2O 242 9.335 -5.140 8.618 1.00 1.00
ATOM 727 O H2O 243 5.905 -7.113 1.770 1.00 1.00
ATOM 728 H H2O 243 6.497 -6.565 2.360 1.00 1.00
ATOM 729 H H2O 243 6.444 -7.497 1.020 1.00 1.00
ATOM 730 O H2O 244 0.126 7.936 24.316 1.00 1.00
ATOM 731 H H2O 244 0.481 7.294 23.636 1.00 1.00
ATOM 732 H H2O 244 -0.132 8.790 23.866 1.00 1.00
ATOM 733 O H2O 245 9.435 4.684 22.841 1.00 1.00
ATOM 734 H H2O 245 9.945 5.085 23.602 1.00 1.00
ATOM 735 H H2O 245 8.948 3.870 23.158 1.00 1.00
ATOM 736 O H2O 246 31.791 -1.746 23.994 1.00 1.00
ATOM 737 H H2O 246 30.892 -1.360 23.782 1.00 1.00
ATOM 738 H H2O 246 31.803 -2.061 24.943 1.00 1.00
ATOM 739 O H2O 247 9.944 -33.519 -10.498 1.00 1.00
ATOM 740 H H2O 247 10.688 -33.601 -11.161 1.00 1.00
ATOM 741 H H2O 247 9.829 -34.389 -10.017 1.00 1.00
ATOM 742 O H2O 248 -11.698 -21.401 16.087 1.00 1.00
ATOM 743 H H2O 248 -12.237 -21.867 15.386 1.00 1.00
ATOM 744 H H2O 248 -11.895 -21.803 16.981 1.00 1.00
ATOM 745 O H2O 249 8.795 0.794 -4.507 1.00 1.00
ATOM 746 H H2O 249 9.471 0.058 -4.455 1.00 1.00
ATOM 747 H H2O 249 9.258 1.658 -4.706 1.00 1.00
ATOM 748 O H2O 250 -3.413 -11.004 -8.523 1.00 1.00
ATOM 749 H H2O 250 -2.694 -11.672 -8.718 1.00 1.00
ATOM 750 H H2O 250 -4.075 -11.403 -7.890 1.00 1.00
ATOM 751 O H2O 251 -10.862 -10.951 -11.308 1.00 1.00
ATOM 752 H H2O 251 -11.136 -10.664 -10.390 1.00 1.00
ATOM 753 H H2O 251 -9.866 -10.919 -11.384 1.00 1.00
ATOM 754 O H2O 252 27.373 -23.072 -2.080 1.00 1.00
ATOM 755 H H2O 252 27.795 -22.482 -1.391 1.00 1.00
ATOM 756 H H2O 252 27.189 -23.970 -1.681 1.00 1.00
ATOM 757 O H2O 253 -7.198 -4.140 -9.625 1.00 1.00
ATOM 758 H H2O 253 -6.695 -4.809 -9.080 1.00 1.00
ATOM 759 H H2O 253 -6.690 -3.943 -10.464 1.00 1.00
ATOM 760 O H2O 254 16.106 22.044 4.463 1.00 1.00
ATOM 761 H H2O 254 17.016 22.308 4.781 1.00 1.00
ATOM 762 H H2O 254 16.053 22.156 3.471 1.00 1.00
ATOM 763 O H2O 255 -0.755 -14.401 -1.940 1.00 1.00
ATOM 764 H H2O 255 -1.392 -15.023 -2.395 1.00 1.00
ATOM 765 H H2O 255 -0.158 -13.978 -2.622 1.00 1.00
ATOM 766 O H2O 256 5.298 10.075 -26.285 1.00 1.00
ATOM 767 H H2O 256 5.507 10.748 -26.995 1.00 1.00
ATOM 768 H H2O 256 4.704 10.491 -25.596 1.00 1.00
ATOM 769 O H2O 257 -13.227 13.703 3.556 1.00 1.00
ATOM 770 H H2O 257 -12.260 13.583 3.333 1.00 1.00
ATOM 771 H H2O 257 -13.315 14.319 4.339 1.00 1.00
ATOM 772 O H2O 258 22.355 11.997 -3.572 1.00 1.00
ATOM 773 H H2O 258 21.553 12.538 -3.823 1.00 1.00
ATOM 774 H H2O 258 22.431 11.955 -2.576 1.00 1.00
ATOM 775 O H2O 259 -4.028 -6.173 12.680 1.00 1.00
ATOM 776 H H2O 259 -3.763 -6.883 13.332 1.00 1.00
ATOM 777 H H2O 259 -3.211 -5.803 12.238 1.00 1.00
ATOM 778 O H2O 260 -24.696 10.043 16.830 1.00 1.00
ATOM 779 H H2O 260 -23.760 9.833 16.548 1.00 1.00
ATOM 780 H H2O 260 -25.253 9.213 16.780 1.00 1.00
ATOM 781 O H2O 261 -17.594 9.440 -4.774 1.00 1.00
ATOM 782 H H2O 261 -18.024 8.555 -4.589 1.00 1.00
ATOM 783 H H2O 261 -17.968 9.822 -5.619 1.00 1.00
ATOM 784 O H2O 262 -0.986 21.479 13.655 1.00 1.00
ATOM 785 H H2O 262 -1.927 21.734 13.879 1.00 1.00
ATOM 786 H H2O 262 -0.498 21.237 14.493 1.00 1.00
ATOM 787 O H2O 263 -1.186 9.091 -15.293 1.00 1.00
ATOM 788 H H2O 263 -1.494 10.014 -15.521 1.00 1.00
ATOM 789 H H2O 263 -1.278 8.943 -14.308 1.00 1.00
ATOM 790 O H2O 264 -19.658 -6.879 -19.472 1.00 1.00
ATOM 791 H H2O 264 -20.223 -7.338 -20.157 1.00 1.00
ATOM 792 H H2O 264 -20.164 -6.817 -18.611 1.00 1.00
ATOM 793 O H2O 265 -12.010 5.448 -28.611 1.00 1.00
ATOM 794 H H2O 265 -12.988 5.658 -28.583 1.00 1.00
ATOM 795 H H2O 265 -11.539 6.130 -29.170 1.00 1.00
ATOM 796 O H2O 266 -5.076 24.775 4.542 1.00 1.00
ATOM 797 H H2O 266 -4.109 25.007 4.432 1.00 1.00
ATOM 798 H H2O 266 -5.533 25.491 5.070 1.00 1.00
ATOM 799 O H2O 267 11.135 4.920 8.555 1.00 1.00
ATOM 800 H H2O 267 10.579 5.552 8.016 1.00 1.00
ATOM 801 H H2O 267 11.666 4.336 7.940 1.00 1.00
ATOM 802 O H2O 268 -5.076 13.156 -6.403 1.00 1.00
ATOM 803 H H2O 268 -5.984 12.781 -6.589 1.00 1.00
ATOM 804 H H2O 268 -5.132 13.807 -5.646 1.00 1.00
ATOM 805 O H2O 269 -10.771 0.102 -30.970 1.00 1.00
ATOM 806 H H2O 269 -10.472 0.252 -31.912 1.00 1.00
ATOM 807 H H2O 269 -10.407 -0.768 -30.638 1.00 1.00
ATOM 808 O H2O 270 -19.841 30.220 -24.233 1.00 1.00
ATOM 809 H H2O 270 -19.544 30.270 -23.279 1.00 1.00
ATOM 810 H H2O 270 -19.176 30.689 -24.814 1.00 1.00
ATOM 811 O H2O 271 5.026 25.726 -14.228 1.00 1.00
ATOM 812 H H2O 271 5.531 25.564 -13.380 1.00 1.00
ATOM 813 H H2O 271 5.577 26.291 -14.842 1.00 1.00
ATOM 814 O H2O 272 -10.082 7.262 -4.559 1.00 1.00
ATOM 815 H H2O 272 -9.111 7.484 -4.470 1.00 1.00
ATOM 816 H H2O 272 -10.593 7.693 -3.815 1.00 1.00
ATOM 817 O H2O 273 6.900 15.969 0.046 1.00 1.00
ATOM 818 H H2O 273 7.163 15.017 0.205 1.00 1.00
ATOM 819 H H2O 273 6.067 15.996 -0.507 1.00 1.00
ATOM 820 O H2O 274 -16.083 11.252 -0.646 1.00 1.00
ATOM 821 H H2O 274 -16.528 10.648 0.015 1.00 1.00
ATOM 822 H H2O 274 -15.091 11.199 -0.530 1.00 1.00
ATOM 823 O H2O 275 -7.350 -14.600 -18.665 1.00 1.00
ATOM 824 H H2O 275 -7.211 -14.981 -17.751 1.00 1.00
ATOM 825 H H2O 275 -8.330 -14.518 -18.846 1.00 1.00
ATOM 826 O H2O 276 -11.852 20.475 -15.789 1.00 1.00
ATOM 827 H H2O 276 -10.989 20.892 -15.505 1.00 1.00
ATOM 828 H H2O 276 -12.095 20.801 -16.703 1.00 1.00
ATOM 829 O H2O 277 -5.404 2.080 8.492 1.00 1.00
ATOM 830 H H2O 277 -5.361 1.446 9.264 1.00 1.00
ATOM 831 H H2O 277 -4.536 2.571 8.415 1.00 1.00
ATOM 832 O H2O 278 -3.906 -7.634 -5.908 1.00 1.00
ATOM 833 H H2O 278 -3.612 -8.358 -6.532 1.00 1.00
ATOM 834 H H2O 278 -3.330 -7.644 -5.091 1.00 1.00
ATOM 835 O H2O 279 -22.150 -15.669 -9.063 1.00 1.00
ATOM 836 H H2O 279 -21.221 -15.758 -8.706 1.00 1.00
ATOM 837 H H2O 279 -22.153 -15.877 -10.042 1.00 1.00
ATOM 838 O H2O 280 -8.090 -1.723 -7.995 1.00 1.00
ATOM 839 H H2O 280 -7.888 -2.571 -8.485 1.00 1.00
ATOM 840 H H2O 280 -8.597 -1.933 -7.159 1.00 1.00
ATOM 841 O H2O 281 -1.555 -20.306 -8.322 1.00 1.00
ATOM 842 H H2O 281 -1.808 -20.258 -9.288 1.00 1.00
ATOM 843 H H2O 281 -1.407 -21.260 -8.063 1.00 1.00
ATOM 844 O H2O 282 -23.691 10.397 -5.585 1.00 1.00
ATOM 845 H H2O 282 -24.230 10.323 -6.424 1.00 1.00
ATOM 846 H H2O 282 -24.084 11.103 -4.996 1.00 1.00
ATOM 847 O H2O 283 -7.450 7.239 13.287 1.00 1.00
ATOM 848 H H2O 283 -7.952 6.384 13.153 1.00 1.00
ATOM 849 H H2O 283 -6.532 7.150 12.900 1.00 1.00
ATOM 850 O H2O 284 -23.989 18.087 9.289 1.00 1.00
ATOM 851 H H2O 284 -24.758 18.558 8.857 1.00 1.00
ATOM 852 H H2O 284 -23.753 18.549 10.144 1.00 1.00
ATOM 853 O H2O 285 -0.600 5.307 -14.063 1.00 1.00
ATOM 854 H H2O 285 -0.379 4.456 -13.588 1.00 1.00
ATOM 855 H H2O 285 0.212 5.890 -14.100 1.00 1.00
ATOM 856 O H2O 286 3.473 11.433 0.375 1.00 1.00
ATOM 857 H H2O 286 2.490 11.437 0.195 1.00 1.00
ATOM 858 H H2O 286 3.708 10.632 0.926 1.00 1.00
ATOM 859 O H2O 287 -6.901 8.126 5.092 1.00 1.00
ATOM 860 H H2O 287 -7.146 9.045 5.399 1.00 1.00
ATOM 861 H H2O 287 -6.908 7.501 5.872 1.00 1.00
ATOM 862 O H2O 288 -19.028 3.819 5.081 1.00 1.00
ATOM 863 H H2O 288 -18.133 3.372 5.090 1.00 1.00
ATOM 864 H H2O 288 -19.747 3.126 5.037 1.00 1.00
ATOM 865 O H2O 289 -20.564 5.287 6.535 1.00 1.00
ATOM 866 H H2O 289 -21.141 5.847 5.941 1.00 1.00
ATOM 867 H H2O 289 -19.861 4.834 5.986 1.00 1.00
ATOM 868 O H2O 290 -2.225 17.164 -19.149 1.00 1.00
ATOM 869 H H2O 290 -2.746 17.651 -18.448 1.00 1.00
ATOM 870 H H2O 290 -1.466 17.736 -19.460 1.00 1.00
ATOM 871 O H2O 291 -4.548 22.021 -2.020 1.00 1.00
ATOM 872 H H2O 291 -4.298 21.310 -1.362 1.00 1.00
ATOM 873 H H2O 291 -5.536 21.998 -2.176 1.00 1.00
ATOM 874 O H2O 292 10.271 -10.595 -6.531 1.00 1.00
ATOM 875 H H2O 292 10.287 -9.595 -6.523 1.00 1.00
ATOM 876 H H2O 292 9.579 -10.922 -5.887 1.00 1.00
ATOM 877 O H2O 293 -26.503 -3.552 -19.251 1.00 1.00
ATOM 878 H H2O 293 -26.716 -3.677 -20.220 1.00 1.00
ATOM 879 H H2O 293 -25.641 -3.053 -19.160 1.00 1.00
ATOM 880 O H2O 294 -23.356 19.991 -26.095 1.00 1.00
ATOM 881 H H2O 294 -23.338 19.121 -25.602 1.00 1.00
ATOM 882 H H2O 294 -23.039 20.723 -25.491 1.00 1.00
ATOM 883 O H2O 295 -6.446 -2.310 -19.577 1.00 1.00
ATOM 884 H H2O 295 -6.952 -2.066 -18.750 1.00 1.00
ATOM 885 H H2O 295 -5.995 -1.497 -19.945 1.00 1.00
ATOM 886 O H2O 296 3.804 -4.072 7.734 1.00 1.00
ATOM 887 H H2O 296 3.900 -3.670 8.644 1.00 1.00
ATOM 888 H H2O 296 3.818 -5.070 7.807 1.00 1.00
ATOM 889 O H2O 297 -0.735 2.127 -6.938 1.00 1.00
ATOM 890 H H2O 297 0.031 1.726 -7.441 1.00 1.00
ATOM 891 H H2O 297 -1.484 1.466 -6.890 1.00 1.00
ATOM 892 O H2O 298 -10.475 24.654 -17.618 1.00 1.00
ATOM 893 H H2O 298 -10.053 25.532 -17.844 1.00 1.00
ATOM 894 H H2O 298 -10.849 24.241 -18.449 1.00 1.00
ATOM 895 O H2O 299 0.029 -1.314 -6.686 1.00 1.00
ATOM 896 H H2O 299 0.773 -0.654 -6.796 1.00 1.00
ATOM 897 H H2O 299 0.381 -2.144 -6.254 1.00 1.00
ATOM 898 O H2O 300 -17.387 6.159 -15.372 1.00 1.00
ATOM 899 H H2O 300 -16.610 6.161 -16.001 1.00 1.00
ATOM 900 H H2O 300 -17.880 5.292 -15.453 1.00 1.00
ATOM 901 O H2O 301 11.759 17.489 -22.622 1.00 1.00
ATOM 902 H H2O 301 12.458 17.034 -23.174 1.00 1.00
ATOM 903 H H2O 301 12.198 18.003 -21.886 1.00 1.00
ATOM 904 O H2O 302 1.585 6.121 -12.056 1.00 1.00
ATOM 905 H H2O 302 1.448 5.369 -11.411 1.00 1.00
ATOM 906 H H2O 302 1.923 5.758 -12.924 1.00 1.00
ATOM 907 O H2O 303 13.459 7.195 -8.541 1.00 1.00
ATOM 908 H H2O 303 12.673 7.381 -7.952 1.00 1.00
ATOM 909 H H2O 303 13.906 6.351 -8.244 1.00 1.00
ATOM 910 O H2O 304 14.002 27.351 0.039 1.00 1.00
ATOM 911 H H2O 304 13.114 27.416 0.494 1.00 1.00
ATOM 912 H H2O 304 14.726 27.297 0.727 1.00 1.00
ATOM 913 O H2O 305 10.851 1.012 -14.192 1.00 1.00
ATOM 914 H H2O 305 11.285 0.453 -14.899 1.00 1.00
ATOM 915 H H2O 305 11.556 1.424 -13.614 1.00 1.00
ATOM 916 O H2O 306 -9.621 -5.186 -17.918 1.00 1.00
ATOM 917 H H2O 306 -10.542 -4.822 -18.057 1.00 1.00
ATOM 918 H H2O 306 -9.188 -5.343 -18.805 1.00 1.00
ATOM 919 O H2O 307 -22.984 3.403 8.463 1.00 1.00
ATOM 920 H H2O 307 -22.795 3.931 9.290 1.00 1.00
ATOM 921 H H2O 307 -23.747 3.818 7.968 1.00 1.00
ATOM 922 O H2O 308 -5.433 3.872 -3.286 1.00 1.00
ATOM 923 H H2O 308 -5.292 3.088 -2.682 1.00 1.00
ATOM 924 H H2O 308 -4.562 4.133 -3.703 1.00 1.00
ATOM 925 O H2O 309 1.155 4.271 -35.111 1.00 1.00
ATOM 926 H H2O 309 1.156 4.233 -34.111 1.00 1.00
ATOM 927 H H2O 309 0.291 3.906 -35.457 1.00 1.00
ATOM 928 O H2O 310 11.238 -7.789 6.716 1.00 1.00
ATOM 929 H H2O 310 10.511 -7.322 6.212 1.00 1.00
ATOM 930 H H2O 310 12.118 -7.609 6.275 1.00 1.00
ATOM 931 O H2O 311 -3.014 -2.268 -10.294 1.00 1.00
ATOM 932 H H2O 311 -3.338 -2.779 -9.498 1.00 1.00
ATOM 933 H H2O 311 -3.363 -1.332 -10.254 1.00 1.00
ATOM 934 O H2O 312 18.645 7.286 -32.131 1.00 1.00
ATOM 935 H H2O 312 18.253 7.121 -31.226 1.00 1.00
ATOM 936 H H2O 312 19.073 6.447 -32.467 1.00 1.00
ATOM 937 O H2O 313 -7.383 12.841 2.044 1.00 1.00
ATOM 938 H H2O 313 -6.879 12.432 1.283 1.00 1.00
ATOM 939 H H2O 313 -8.284 13.137 1.726 1.00 1.00
ATOM 940 O H2O 314 -3.532 9.095 13.272 1.00 1.00
ATOM 941 H H2O 314 -4.448 8.881 13.612 1.00 1.00
ATOM 942 H H2O 314 -3.190 8.328 12.730 1.00 1.00
ATOM 943 O H2O 315 -2.224 12.779 -31.165 1.00 1.00
ATOM 944 H H2O 315 -2.048 12.177 -30.386 1.00 1.00
ATOM 945 H H2O 315 -3.159 12.636 -31.492 1.00 1.00
ATOM 946 O H2O 316 -21.308 5.320 18.825 1.00 1.00
ATOM 947 H H2O 316 -20.707 5.950 19.317 1.00 1.00
ATOM 948 H H2O 316 -21.965 5.842 18.281 1.00 1.00
ATOM 949 O H2O 317 11.949 5.256 -0.422 1.00 1.00
ATOM 950 H H2O 317 12.298 4.563 0.209 1.00 1.00
ATOM 951 H H2O 317 12.474 5.227 -1.273 1.00 1.00
ATOM 952 O H2O 318 -20.891 9.081 -20.473 1.00 1.00
ATOM 953 H H2O 318 -21.423 9.473 -19.722 1.00 1.00
ATOM 954 H H2O 318 -19.917 9.232 -20.306 1.00 1.00
ATOM 955 O H2O 319 1.191 -12.929 -11.151 1.00 1.00
ATOM 956 H H2O 319 0.355 -13.382 -10.843 1.00 1.00
ATOM 957 H H2O 319 1.980 -13.336 -10.690 1.00 1.00
ATOM 958 O H2O 320 -1.532 -9.396 -5.904 1.00 1.00
ATOM 959 H H2O 320 -1.298 -9.253 -4.942 1.00 1.00
ATOM 960 H H2O 320 -1.634 -10.375 -6.080 1.00 1.00
ATOM 961 O H2O 321 -16.283 -10.800 6.081 1.00 1.00
ATOM 962 H H2O 321 -16.221 -10.001 5.482 1.00 1.00
ATOM 963 H H2O 321 -16.377 -11.626 5.525 1.00 1.00
ATOM 964 O H2O 322 -26.974 12.227 7.800 1.00 1.00
ATOM 965 H H2O 322 -26.786 12.159 8.780 1.00 1.00
ATOM 966 H H2O 322 -27.685 11.570 7.551 1.00 1.00
ATOM 967 O H2O 323 12.633 0.276 -3.577 1.00 1.00
ATOM 968 H H2O 323 12.789 1.106 -3.041 1.00 1.00
ATOM 969 H H2O 323 13.092 0.359 -4.462 1.00 1.00
ATOM 970 O H2O 324 -10.873 3.253 8.805 1.00 1.00
ATOM 971 H H2O 324 -11.390 3.656 8.049 1.00 1.00
ATOM 972 H H2O 324 -10.158 3.888 9.096 1.00 1.00
ATOM 973 O H2O 325 -13.011 -14.274 -5.167 1.00 1.00
ATOM 974 H H2O 325 -12.923 -13.775 -4.305 1.00 1.00
ATOM 975 H H2O 325 -13.746 -13.872 -5.712 1.00 1.00
ATOM 976 O H2O 326 -17.846 2.774 -23.540 1.00 1.00
ATOM 977 H H2O 326 -17.702 3.754 -23.401 1.00 1.00
ATOM 978 H H2O 326 -18.708 2.501 -23.111 1.00 1.00
ATOM 979 O H2O 327 -11.297 -32.645 -19.199 1.00 1.00
ATOM 980 H H2O 327 -10.758 -33.210 -19.823 1.00 1.00
ATOM 981 H H2O 327 -10.845 -32.607 -18.308 1.00 1.00
ATOM 982 O H2O 328 -8.086 -8.297 7.588 1.00 1.00
ATOM 983 H H2O 328 -8.974 -8.276 8.048 1.00 1.00
ATOM 984 H H2O 328 -8.222 -8.454 6.609 1.00 1.00
ATOM 985 O H2O 329 -14.211 -8.667 11.132 1.00 1.00
ATOM 986 H H2O 329 -15.169 -8.794 11.391 1.00 1.00
ATOM 987 H H2O 329 -13.644 -9.335 11.613 1.00 1.00
ATOM 988 O H2O 330 2.374 10.319 6.405 1.00 1.00
ATOM 989 H H2O 330 2.535 10.337 7.392 1.00 1.00
ATOM 990 H H2O 330 1.428 10.586 6.217 1.00 1.00
ATOM 991 O H2O 331 -27.746 -8.419 9.568 1.00 1.00
ATOM 992 H H2O 331 -27.785 -7.519 9.134 1.00 1.00
ATOM 993 H H2O 331 -27.629 -9.122 8.866 1.00 1.00
ATOM 994 O H2O 332 -27.090 -1.659 1.385 1.00 1.00
ATOM 995 H H2O 332 -27.474 -0.818 1.002 1.00 1.00
ATOM 996 H H2O 332 -26.146 -1.495 1.671 1.00 1.00
ATOM 997 O H2O 333 7.740 -19.348 -5.229 1.00 1.00
ATOM 998 H H2O 333 8.696 -19.298 -4.941 1.00 1.00
ATOM 999 H H2O 333 7.251 -20.002 -4.652 1.00 1.00
ATOM 1000 O H2O 334 -14.582 -3.339 -5.572 1.00 1.00
ATOM 1001 H H2O 334 -13.650 -3.075 -5.819 1.00 1.00
ATOM 1002 H H2O 334 -15.086 -3.593 -6.398 1.00 1.00
ATOM 1003 O H2O 335 9.774 2.928 2.585 1.00 1.00
ATOM 1004 H H2O 335 10.045 2.019 2.903 1.00 1.00
ATOM 1005 H H2O 335 8.954 2.852 2.018 1.00 1.00
ATOM 1006 O H2O 336 -19.557 -3.928 -9.937 1.00 1.00
ATOM 1007 H H2O 336 -19.616 -4.895 -10.188 1.00 1.00
ATOM 1008 H H2O 336 -18.802 -3.501 -10.434 1.00 1.00
ATOM 1009 O H2O 337 -3.294 0.620 0.480 1.00 1.00
ATOM 1010 H H2O 337 -2.419 1.054 0.264 1.00 1.00
ATOM 1011 H H2O 337 -3.998 0.964 -0.141 1.00 1.00
ATOM 1012 O H2O 338 -4.100 -28.712 -7.998 1.00 1.00
ATOM 1013 H H2O 338 -4.826 -29.391 -7.889 1.00 1.00
ATOM 1014 H H2O 338 -3.242 -29.081 -7.639 1.00 1.00
ATOM 1015 O H2O 339 -20.446 -26.378 -15.748 1.00 1.00
ATOM 1016 H H2O 339 -20.822 -27.112 -15.182 1.00 1.00
ATOM 1017 H H2O 339 -20.197 -25.603 -15.167 1.00 1.00
ATOM 1018 O H2O 340 0.137 -3.814 -8.868 1.00 1.00
ATOM 1019 H H2O 340 0.525 -3.222 -8.162 1.00 1.00
ATOM 1020 H H2O 340 -0.665 -4.288 -8.503 1.00 1.00
ATOM 1021 O H2O 341 -3.077 3.781 -5.042 1.00 1.00
ATOM 1022 H H2O 341 -2.147 4.148 -5.017 1.00 1.00
ATOM 1023 H H2O 341 -3.307 3.520 -5.979 1.00 1.00
ATOM 1024 O H2O 342 -30.564 5.304 11.985 1.00 1.00
ATOM 1025 H H2O 342 -30.912 4.935 12.847 1.00 1.00
ATOM 1026 H H2O 342 -31.008 4.839 11.219 1.00 1.00
ATOM 1027 O H2O 343 4.559 -15.968 -13.881 1.00 1.00
ATOM 1028 H H2O 343 3.903 -15.555 -14.512 1.00 1.00
ATOM 1029 H H2O 343 5.057 -16.698 -14.349 1.00 1.00
ATOM 1030 O H2O 344 3.333 -1.948 -9.370 1.00 1.00
ATOM 1031 H H2O 344 3.825 -2.737 -9.739 1.00 1.00
ATOM 1032 H H2O 344 3.857 -1.552 -8.615 1.00 1.00
ATOM 1033 O H2O 345 0.907 0.542 -16.745 1.00 1.00
ATOM 1034 H H2O 345 1.655 1.199 -16.846 1.00 1.00
ATOM 1035 H H2O 345 0.192 0.937 -16.168 1.00 1.00
ATOM 1036 O H2O 346 -4.777 -26.395 -6.494 1.00 1.00
ATOM 1037 H H2O 346 -5.575 -26.683 -5.965 1.00 1.00
ATOM 1038 H H2O 346 -4.556 -27.095 -7.173 1.00 1.00
ATOM 1039 O H2O 347 -21.606 -6.673 7.967 1.00 1.00
ATOM 1040 H H2O 347 -21.101 -7.535 8.008 1.00 1.00
ATOM 1041 H H2O 347 -22.557 -6.831 8.236 1.00 1.00
ATOM 1042 O H2O 348 -2.163 13.307 -20.770 1.00 1.00
ATOM 1043 H H2O 348 -2.904 13.489 -20.124 1.00 1.00
ATOM 1044 H H2O 348 -1.982 12.324 -20.802 1.00 1.00
ATOM 1045 O H2O 349 -17.588 -17.615 -11.574 1.00 1.00
ATOM 1046 H H2O 349 -16.627 -17.652 -11.301 1.00 1.00
ATOM 1047 H H2O 349 -17.977 -18.536 -11.551 1.00 1.00
ATOM 1048 O H2O 350 -14.313 -13.730 2.602 1.00 1.00
ATOM 1049 H H2O 350 -14.020 -12.863 3.005 1.00 1.00
ATOM 1050 H H2O 350 -14.064 -13.749 1.634 1.00 1.00
ATOM 1051 O H2O 351 -8.388 -22.798 -6.560 1.00 1.00
ATOM 1052 H H2O 351 -8.897 -23.276 -7.275 1.00 1.00
ATOM 1053 H H2O 351 -8.888 -22.860 -5.696 1.00 1.00
ATOM 1054 O H2O 352 -1.548 5.389 -21.786 1.00 1.00
ATOM 1055 H H2O 352 -1.707 5.837 -20.906 1.00 1.00
ATOM 1056 H H2O 352 -1.598 4.397 -21.668 1.00 1.00
ATOM 1057 O H2O 353 10.293 -1.264 -3.584 1.00 1.00
ATOM 1058 H H2O 353 11.212 -0.871 -3.586 1.00 1.00
ATOM 1059 H H2O 353 10.291 -2.111 -4.115 1.00 1.00
ATOM 1060 O H2O 354 -12.114 14.627 -5.407 1.00 1.00
ATOM 1061 H H2O 354 -11.391 14.263 -5.994 1.00 1.00
ATOM 1062 H H2O 354 -12.978 14.637 -5.910 1.00 1.00
ATOM 1063 O H2O 355 -6.572 16.971 -22.979 1.00 1.00
ATOM 1064 H H2O 355 -6.691 16.450 -22.133 1.00 1.00
ATOM 1065 H H2O 355 -5.597 17.126 -23.139 1.00 1.00
ATOM 1066 O H2O 356 10.362 -1.816 13.518 1.00 1.00
ATOM 1067 H H2O 356 11.008 -2.571 13.401 1.00 1.00
ATOM 1068 H H2O 356 10.855 -0.999 13.815 1.00 1.00
ATOM 1069 O H2O 357 -12.029 18.585 -1.318 1.00 1.00
ATOM 1070 H H2O 357 -11.257 19.102 -1.686 1.00 1.00
ATOM 1071 H H2O 357 -11.706 17.969 -0.599 1.00 1.00
ATOM 1072 O H2O 358 -18.187 5.257 -22.112 1.00 1.00
ATOM 1073 H H2O 358 -18.270 4.765 -21.245 1.00 1.00
ATOM 1074 H H2O 358 -17.859 6.185 -21.938 1.00 1.00
ATOM 1075 O H2O 359 14.988 7.299 -18.922 1.00 1.00
ATOM 1076 H H2O 359 14.972 8.220 -18.533 1.00 1.00
ATOM 1077 H H2O 359 15.904 6.911 -18.823 1.00 1.00
ATOM 1078 O H2O 360 -14.496 7.349 0.614 1.00 1.00
ATOM 1079 H H2O 360 -15.074 7.599 -0.163 1.00 1.00
ATOM 1080 H H2O 360 -13.940 6.554 0.373 1.00 1.00
ATOM 1081 O H2O 361 -0.565 7.253 -8.488 1.00 1.00
ATOM 1082 H H2O 361 -1.031 6.369 -8.453 1.00 1.00
ATOM 1083 H H2O 361 -0.580 7.602 -9.425 1.00 1.00
ATOM 1084 O H2O 362 -2.060 -29.875 -13.392 1.00 1.00
ATOM 1085 H H2O 362 -2.304 -29.383 -14.227 1.00 1.00
ATOM 1086 H H2O 362 -1.589 -29.254 -12.764 1.00 1.00
ATOM 1087 O H2O 363 -1.206 4.924 -2.448 1.00 1.00
ATOM 1088 H H2O 363 -0.944 4.593 -3.354 1.00 1.00
ATOM 1089 H H2O 363 -0.442 4.800 -1.814 1.00 1.00
ATOM 1090 O H2O 364 -2.843 -13.968 -8.815 1.00 1.00
ATOM 1091 H H2O 364 -3.119 -14.905 -8.601 1.00 1.00
ATOM 1092 H H2O 364 -2.122 -13.982 -9.508 1.00 1.00
ATOM 1093 O H2O 365 7.347 11.760 -6.924 1.00 1.00
ATOM 1094 H H2O 365 6.716 11.337 -7.574 1.00 1.00
ATOM 1095 H H2O 365 7.200 12.749 -6.913 1.00 1.00
ATOM 1096 O H2O 366 -8.724 7.585 -0.125 1.00 1.00
ATOM 1097 H H2O 366 -9.123 8.043 -0.919 1.00 1.00
ATOM 1098 H H2O 366 -8.264 8.259 0.453 1.00 1.00
ATOM 1099 O H2O 367 -13.525 -17.661 -6.775 1.00 1.00
ATOM 1100 H H2O 367 -13.415 -17.865 -5.803 1.00 1.00
ATOM 1101 H H2O 367 -14.252 -18.232 -7.156 1.00 1.00
ATOM 1102 O H2O 368 6.223 10.852 12.679 1.00 1.00
ATOM 1103 H H2O 368 6.551 11.490 11.983 1.00 1.00
ATOM 1104 H H2O 368 5.690 10.127 12.242 1.00 1.00
ATOM 1105 O H2O 369 -10.850 -14.477 2.723 1.00 1.00
ATOM 1106 H H2O 369 -10.193 -15.200 2.939 1.00 1.00
ATOM 1107 H H2O 369 -11.629 -14.537 3.346 1.00 1.00
ATOM 1108 O H2O 370 -0.036 -0.004 -26.389 1.00 1.00
ATOM 1109 H H2O 370 -0.672 -0.663 -26.791 1.00 1.00
ATOM 1110 H H2O 370 0.872 -0.417 -26.319 1.00 1.00
ATOM 1111 O H2O 371 -5.798 -3.406 -15.456 1.00 1.00
ATOM 1112 H H2O 371 -6.189 -2.502 -15.633 1.00 1.00
ATOM 1113 H H2O 371 -6.506 -4.009 -15.089 1.00 1.00
ATOM 1114 O H2O 372 5.368 13.101 1.542 1.00 1.00
ATOM 1115 H H2O 372 4.656 12.578 1.073 1.00 1.00
ATOM 1116 H H2O 372 6.204 13.092 0.995 1.00 1.00
ATOM 1117 O H2O 373 -20.472 -0.552 6.711 1.00 1.00
ATOM 1118 H H2O 373 -20.601 0.421 6.904 1.00 1.00
ATOM 1119 H H2O 373 -20.569 -1.075 7.557 1.00 1.00
ATOM 1120 O H2O 374 -3.815 10.161 3.154 1.00 1.00
ATOM 1121 H H2O 374 -3.815 9.165 3.063 1.00 1.00
ATOM 1122 H H2O 374 -4.610 10.447 3.690 1.00 1.00
ATOM 1123 O H2O 375 -16.999 -5.006 11.218 1.00 1.00
ATOM 1124 H H2O 375 -17.527 -5.716 10.750 1.00 1.00
ATOM 1125 H H2O 375 -17.067 -5.138 12.207 1.00 1.00
ATOM 1126 O H2O 376 -28.751 -21.108 -0.054 1.00 1.00
ATOM 1127 H H2O 376 -28.144 -21.831 -0.386 1.00 1.00
ATOM 1128 H H2O 376 -28.729 -20.336 -0.690 1.00 1.00
ATOM 1129 O H2O 377 3.462 -3.328 -14.431 1.00 1.00
ATOM 1130 H H2O 377 2.724 -2.978 -13.853 1.00 1.00
ATOM 1131 H H2O 377 3.757 -4.221 -14.090 1.00 1.00
ATOM 1132 O H2O 378 -8.757 -6.547 1.157 1.00 1.00
ATOM 1133 H H2O 378 -7.922 -6.963 1.516 1.00 1.00
ATOM 1134 H H2O 378 -8.638 -5.555 1.101 1.00 1.00
ATOM 1135 O H2O 379 1.564 -10.084 -4.715 1.00 1.00
ATOM 1136 H H2O 379 1.653 -10.151 -5.708 1.00 1.00
ATOM 1137 H H2O 379 2.174 -9.370 -4.373 1.00 1.00
ATOM 1138 O H2O 380 1.950 -10.246 -7.527 1.00 1.00
ATOM 1139 H H2O 380 1.749 -9.470 -8.125 1.00 1.00
ATOM 1140 H H2O 380 1.285 -10.974 -7.692 1.00 1.00
ATOM 1141 O H2O 381 -1.730 2.370 -1.137 1.00 1.00
ATOM 1142 H H2O 381 -1.432 3.138 -1.704 1.00 1.00
ATOM 1143 H H2O 381 -1.160 1.571 -1.332 1.00 1.00
ATOM 1144 O H2O 382 -9.036 26.841 10.750 1.00 1.00
ATOM 1145 H H2O 382 -9.705 27.343 10.201 1.00 1.00
ATOM 1146 H H2O 382 -8.887 27.321 11.614 1.00 1.00
ATOM 1147 O H2O 383 -9.154 -4.180 -1.185 1.00 1.00
ATOM 1148 H H2O 383 -9.890 -3.544 -1.417 1.00 1.00
ATOM 1149 H H2O 383 -8.947 -4.109 -0.209 1.00 1.00
ATOM 1150 O H2O 384 -20.238 15.981 33.088 1.00 1.00
ATOM 1151 H H2O 384 -20.679 15.745 33.954 1.00 1.00
ATOM 1152 H H2O 384 -19.967 15.143 32.613 1.00 1.00
ATOM 1153 O H2O 385 -14.853 10.711 7.328 1.00 1.00
ATOM 1154 H H2O 385 -14.075 10.697 7.956 1.00 1.00
ATOM 1155 H H2O 385 -15.705 10.726 7.852 1.00 1.00
ATOM 1156 O H2O 386 -7.389 14.014 7.936 1.00 1.00
ATOM 1157 H H2O 386 -7.414 15.007 7.820 1.00 1.00
ATOM 1158 H H2O 386 -6.465 13.731 8.191 1.00 1.00
ATOM 1159 O H2O 387 -4.567 20.811 -20.954 1.00 1.00
ATOM 1160 H H2O 387 -4.875 21.498 -20.296 1.00 1.00
ATOM 1161 H H2O 387 -4.806 19.899 -20.621 1.00 1.00
ATOM 1162 O H2O 388 -5.207 6.653 33.399 1.00 1.00
ATOM 1163 H H2O 388 -5.359 5.919 32.737 1.00 1.00
ATOM 1164 H H2O 388 -4.224 6.811 33.501 1.00 1.00
ATOM 1165 O H2O 389 -8.192 3.933 -2.222 1.00 1.00
ATOM 1166 H H2O 389 -7.199 3.898 -2.335 1.00 1.00
ATOM 1167 H H2O 389 -8.616 3.221 -2.782 1.00 1.00
ATOM 1168 O H2O 390 15.724 2.114 -4.044 1.00 1.00
ATOM 1169 H H2O 390 16.089 1.315 -3.567 1.00 1.00
ATOM 1170 H H2O 390 14.866 2.396 -3.615 1.00 1.00
ATOM 1171 O H2O 391 -13.037 8.924 13.065 1.00 1.00
ATOM 1172 H H2O 391 -13.814 9.227 12.513 1.00 1.00
ATOM 1173 H H2O 391 -12.293 9.586 12.984 1.00 1.00
ATOM 1174 O H2O 392 -15.577 -6.071 5.741 1.00 1.00
ATOM 1175 H H2O 392 -15.811 -5.523 6.543 1.00 1.00
ATOM 1176 H H2O 392 -16.379 -6.159 5.151 1.00 1.00
ATOM 1177 O H2O 393 -14.244 24.206 26.837 1.00 1.00
ATOM 1178 H H2O 393 -14.563 23.375 27.292 1.00 1.00
ATOM 1179 H H2O 393 -14.601 24.233 25.903 1.00 1.00
ATOM 1180 O H2O 394 -5.804 -13.264 4.600 1.00 1.00
ATOM 1181 H H2O 394 -6.244 -13.767 5.344 1.00 1.00
ATOM 1182 H H2O 394 -6.463 -13.115 3.863 1.00 1.00
ATOM 1183 O H2O 395 0.872 14.370 -1.504 1.00 1.00
ATOM 1184 H H2O 395 1.197 14.521 -2.437 1.00 1.00
ATOM 1185 H H2O 395 1.358 13.594 -1.103 1.00 1.00
ATOM 1186 O H2O 396 -16.126 -5.891 38.708 1.00 1.00
ATOM 1187 H H2O 396 -16.846 -5.762 39.390 1.00 1.00
ATOM 1188 H H2O 396 -15.757 -6.817 38.783 1.00 1.00
ATOM 1189 O H2O 397 -2.381 0.115 18.447 1.00 1.00
ATOM 1190 H H2O 397 -3.239 -0.309 18.159 1.00 1.00
ATOM 1191 H H2O 397 -1.643 -0.557 18.394 1.00 1.00
ATOM 1192 O H2O 398 -28.400 6.089 -1.449 1.00 1.00
ATOM 1193 H H2O 398 -27.767 5.561 -2.014 1.00 1.00
ATOM 1194 H H2O 398 -27.882 6.686 -0.836 1.00 1.00
ATOM 1195 O H2O 399 -8.483 2.438 1.146 1.00 1.00
ATOM 1196 H H2O 399 -8.467 3.285 0.614 1.00 1.00
ATOM 1197 H H2O 399 -7.894 2.537 1.949 1.00 1.00
ATOM 1198 O H2O 400 -7.979 22.584 7.581 1.00 1.00
ATOM 1199 H H2O 400 -8.592 23.246 8.013 1.00 1.00
ATOM 1200 H H2O 400 -8.417 21.685 7.566 1.00 1.00
ATOM 1201 O H2O 401 -11.415 24.601 2.148 1.00 1.00
ATOM 1202 H H2O 401 -12.317 24.599 1.716 1.00 1.00
ATOM 1203 H H2O 401 -11.310 25.432 2.695 1.00 1.00
ATOM 1204 O H2O 402 -14.622 -6.790 9.154 1.00 1.00
ATOM 1205 H H2O 402 -14.579 -7.558 9.792 1.00 1.00
ATOM 1206 H H2O 402 -14.121 -7.021 8.320 1.00 1.00
ATOM 1207 O H2O 403 5.554 7.185 19.772 1.00 1.00
ATOM 1208 H H2O 403 5.297 7.258 20.735 1.00 1.00
ATOM 1209 H H2O 403 6.396 6.651 19.691 1.00 1.00
ATOM 1210 O H2O 404 -18.087 -3.154 26.107 1.00 1.00
ATOM 1211 H H2O 404 -18.849 -3.688 25.742 1.00 1.00
ATOM 1212 H H2O 404 -18.107 -3.184 27.106 1.00 1.00
ATOM 1213 O H2O 405 -12.091 -4.772 -8.791 1.00 1.00
ATOM 1214 H H2O 405 -11.224 -4.465 -9.183 1.00 1.00
ATOM 1215 H H2O 405 -12.805 -4.736 -9.491 1.00 1.00
ATOM 1216 O H2O 406 -16.313 -13.293 4.558 1.00 1.00
ATOM 1217 H H2O 406 -15.891 -13.518 3.680 1.00 1.00
ATOM 1218 H H2O 406 -15.755 -13.664 5.301 1.00 1.00
ATOM 1219 O H2O 407 -11.450 -7.489 15.390 1.00 1.00
ATOM 1220 H H2O 407 -11.360 -8.398 15.796 1.00 1.00
ATOM 1221 H H2O 407 -11.454 -6.800 16.115 1.00 1.00
ATOM 1222 O H2O 408 11.941 0.192 14.527 1.00 1.00
ATOM 1223 H H2O 408 12.765 -0.364 14.417 1.00 1.00
ATOM 1224 H H2O 408 11.957 0.945 13.869 1.00 1.00
ATOM 1225 O H2O 409 -3.668 16.790 2.076 1.00 1.00
ATOM 1226 H H2O 409 -3.280 16.237 2.814 1.00 1.00
ATOM 1227 H H2O 409 -2.929 17.169 1.519 1.00 1.00
ATOM 1228 O H2O 410 29.528 -21.981 -7.564 1.00 1.00
ATOM 1229 H H2O 410 30.335 -21.499 -7.905 1.00 1.00
ATOM 1230 H H2O 410 29.156 -21.492 -6.776 1.00 1.00
ATOM 1231 O H2O 411 -1.453 -13.228 10.359 1.00 1.00
ATOM 1232 H H2O 411 -1.812 -12.657 11.097 1.00 1.00
ATOM 1233 H H2O 411 -0.454 -13.202 10.372 1.00 1.00
ATOM 1234 O H2O 412 -14.947 9.202 16.411 1.00 1.00
ATOM 1235 H H2O 412 -14.916 10.087 16.875 1.00 1.00
ATOM 1236 H H2O 412 -14.545 8.502 17.001 1.00 1.00
ATOM 1237 O H2O 413 -14.946 9.085 -4.046 1.00 1.00
ATOM 1238 H H2O 413 -14.301 9.535 -4.664 1.00 1.00
ATOM 1239 H H2O 413 -15.867 9.131 -4.435 1.00 1.00
ATOM 1240 O H2O 414 -1.148 26.419 10.177 1.00 1.00
ATOM 1241 H H2O 414 -0.647 26.908 10.891 1.00 1.00
ATOM 1242 H H2O 414 -1.604 25.623 10.575 1.00 1.00
ATOM 1243 O H2O 415 -2.539 -9.654 -10.740 1.00 1.00
ATOM 1244 H H2O 415 -2.603 -8.711 -10.413 1.00 1.00
ATOM 1245 H H2O 415 -3.002 -10.262 -10.095 1.00 1.00
ATOM 1246 O H2O 416 -9.088 0.167 13.650 1.00 1.00
ATOM 1247 H H2O 416 -9.678 -0.605 13.886 1.00 1.00
ATOM 1248 H H2O 416 -8.827 0.104 12.686 1.00 1.00
ATOM 1249 O H2O 417 3.452 -1.427 -4.605 1.00 1.00
ATOM 1250 H H2O 417 4.307 -1.507 -5.117 1.00 1.00
ATOM 1251 H H2O 417 2.815 -2.136 -4.907 1.00 1.00
ATOM 1252 O H2O 418 -7.753 13.199 10.788 1.00 1.00
ATOM 1253 H H2O 418 -7.514 12.231 10.703 1.00 1.00
ATOM 1254 H H2O 418 -7.651 13.647 9.900 1.00 1.00
ATOM 1255 O H2O 419 -4.804 16.284 16.382 1.00 1.00
ATOM 1256 H H2O 419 -5.737 16.182 16.038 1.00 1.00
ATOM 1257 H H2O 419 -4.372 15.384 16.445 1.00 1.00
ATOM 1258 O H2O 420 -9.180 8.794 17.513 1.00 1.00
ATOM 1259 H H2O 420 -8.434 8.136 17.413 1.00 1.00
ATOM 1260 H H2O 420 -10.033 8.383 17.191 1.00 1.00
ATOM 1261 O H2O 421 -20.262 14.520 -1.333 1.00 1.00
ATOM 1262 H H2O 421 -19.978 13.964 -2.114 1.00 1.00
ATOM 1263 H H2O 421 -20.575 13.923 -0.595 1.00 1.00
ATOM 1264 O H2O 422 -17.204 13.458 0.515 1.00 1.00
ATOM 1265 H H2O 422 -16.497 13.807 1.130 1.00 1.00
ATOM 1266 H H2O 422 -16.823 12.726 -0.050 1.00 1.00
ATOM 1267 O H2O 423 -9.204 3.401 4.574 1.00 1.00
ATOM 1268 H H2O 423 -8.241 3.207 4.388 1.00 1.00
ATOM 1269 H H2O 423 -9.490 4.202 4.048 1.00 1.00
ATOM 1270 O H2O 424 -11.442 10.597 11.598 1.00 1.00
ATOM 1271 H H2O 424 -12.049 11.374 11.428 1.00 1.00
ATOM 1272 H H2O 424 -10.505 10.847 11.353 1.00 1.00
ATOM 1273 O H2O 425 3.819 28.239 -10.369 1.00 1.00
ATOM 1274 H H2O 425 2.957 28.731 -10.487 1.00 1.00
ATOM 1275 H H2O 425 3.906 27.943 -9.417 1.00 1.00
ATOM 1276 O H2O 426 -10.553 16.914 8.653 1.00 1.00
ATOM 1277 H H2O 426 -10.833 15.955 8.710 1.00 1.00
ATOM 1278 H H2O 426 -11.121 17.463 9.267 1.00 1.00
ATOM 1279 O H2O 427 5.305 -12.013 -28.382 1.00 1.00
ATOM 1280 H H2O 427 6.167 -12.480 -28.583 1.00 1.00
ATOM 1281 H H2O 427 4.633 -12.237 -29.088 1.00 1.00
ATOM 1282 O H2O 428 -6.647 4.254 -5.706 1.00 1.00
ATOM 1283 H H2O 428 -6.254 4.250 -4.786 1.00 1.00
ATOM 1284 H H2O 428 -7.345 3.542 -5.774 1.00 1.00
ATOM 1285 O H2O 429 1.918 6.829 17.403 1.00 1.00
ATOM 1286 H H2O 429 2.393 7.685 17.198 1.00 1.00
ATOM 1287 H H2O 429 0.962 6.902 17.120 1.00 1.00
ATOM 1288 O H2O 430 0.554 -2.185 9.160 1.00 1.00
ATOM 1289 H H2O 430 0.705 -2.361 10.133 1.00 1.00
ATOM 1290 H H2O 430 0.687 -1.212 8.973 1.00 1.00
ATOM 1291 O H2O 431 -0.225 29.756 7.265 1.00 1.00
ATOM 1292 H H2O 431 0.024 30.722 7.195 1.00 1.00
ATOM 1293 H H2O 431 -0.072 29.308 6.385 1.00 1.00
ATOM 1294 O H2O 432 -0.080 2.630 4.930 1.00 1.00
ATOM 1295 H H2O 432 -0.694 2.571 4.143 1.00 1.00
ATOM 1296 H H2O 432 0.155 1.708 5.239 1.00 1.00
ATOM 1297 O H2O 433 -3.926 20.000 -0.377 1.00 1.00
ATOM 1298 H H2O 433 -4.466 20.644 0.166 1.00 1.00
ATOM 1299 H H2O 433 -3.324 19.478 0.227 1.00 1.00
ATOM 1300 O H2O 434 -18.180 30.882 -1.505 1.00 1.00
ATOM 1301 H H2O 434 -17.284 31.323 -1.451 1.00 1.00
ATOM 1302 H H2O 434 -18.859 31.544 -1.820 1.00 1.00
ATOM 1303 O H2O 435 -15.773 -0.447 -1.199 1.00 1.00
ATOM 1304 H H2O 435 -16.693 -0.813 -1.337 1.00 1.00
ATOM 1305 H H2O 435 -15.249 -0.535 -2.046 1.00 1.00
ATOM 1306 O H2O 436 -22.466 -0.534 -0.689 1.00 1.00
ATOM 1307 H H2O 436 -21.743 -0.681 -1.364 1.00 1.00
ATOM 1308 H H2O 436 -22.500 -1.312 -0.061 1.00 1.00
ATOM 1309 O H2O 437 -21.253 15.143 10.266 1.00 1.00
ATOM 1310 H H2O 437 -21.089 15.568 11.156 1.00 1.00
ATOM 1311 H H2O 437 -22.231 15.171 10.059 1.00 1.00
ATOM 1312 O H2O 438 -7.256 -2.458 22.772 1.00 1.00
ATOM 1313 H H2O 438 -7.946 -3.162 22.938 1.00 1.00
ATOM 1314 H H2O 438 -7.693 -1.558 22.768 1.00 1.00
ATOM 1315 O H2O 439 7.202 12.867 10.826 1.00 1.00
ATOM 1316 H H2O 439 6.347 12.894 10.308 1.00 1.00
ATOM 1317 H H2O 439 7.595 13.786 10.868 1.00 1.00
ATOM 1318 O H2O 440 -9.409 2.998 -36.231 1.00 1.00
ATOM 1319 H H2O 440 -9.069 2.058 -36.191 1.00 1.00
ATOM 1320 H H2O 440 -9.330 3.420 -35.328 1.00 1.00
ATOM 1321 O H2O 441 -23.815 14.106 5.744 1.00 1.00
ATOM 1322 H H2O 441 -24.073 14.629 6.556 1.00 1.00
ATOM 1323 H H2O 441 -24.283 13.223 5.753 1.00 1.00
ATOM 1324 O H2O 442 -1.119 -5.133 -2.159 1.00 1.00
ATOM 1325 H H2O 442 -0.156 -4.992 -1.932 1.00 1.00
ATOM 1326 H H2O 442 -1.627 -5.364 -1.328 1.00 1.00
ATOM 1327 O H2O 443 -9.730 22.065 10.519 1.00 1.00
ATOM 1328 H H2O 443 -9.340 21.389 11.144 1.00 1.00
ATOM 1329 H H2O 443 -9.082 22.818 10.395 1.00 1.00
ATOM 1330 O H2O 444 -15.190 3.818 14.701 1.00 1.00
ATOM 1331 H H2O 444 -14.478 4.185 14.103 1.00 1.00
ATOM 1332 H H2O 444 -16.056 3.779 14.203 1.00 1.00
ATOM 1333 O H2O 445 -8.528 10.156 -13.239 1.00 1.00
ATOM 1334 H H2O 445 -8.739 9.466 -13.931 1.00 1.00
ATOM 1335 H H2O 445 -8.404 9.713 -12.352 1.00 1.00
ATOM 1336 O H2O 446 5.718 -6.125 18.626 1.00 1.00
ATOM 1337 H H2O 446 5.061 -6.574 18.020 1.00 1.00
ATOM 1338 H H2O 446 6.136 -6.805 19.228 1.00 1.00
ATOM 1339 O H2O 447 -3.844 18.642 7.791 1.00 1.00
ATOM 1340 H H2O 447 -4.504 18.043 8.245 1.00 1.00
ATOM 1341 H H2O 447 -4.311 19.463 7.461 1.00 1.00
ATOM 1342 O H2O 448 -14.222 -4.054 4.445 1.00 1.00
ATOM 1343 H H2O 448 -14.981 -4.704 4.412 1.00 1.00
ATOM 1344 H H2O 448 -13.400 -4.482 4.070 1.00 1.00
ATOM 1345 O H2O 449 -7.504 -13.561 -6.605 1.00 1.00
ATOM 1346 H H2O 449 -8.232 -14.242 -6.524 1.00 1.00
ATOM 1347 H H2O 449 -7.048 -13.664 -7.489 1.00 1.00
ATOM 1348 O H2O 450 -5.055 -17.809 1.196 1.00 1.00
ATOM 1349 H H2O 450 -4.660 -17.581 2.085 1.00 1.00
ATOM 1350 H H2O 450 -4.331 -18.117 0.578 1.00 1.00
ATOM 1351 O H2O 451 -15.659 -18.658 6.952 1.00 1.00
ATOM 1352 H H2O 451 -16.522 -18.168 6.832 1.00 1.00
ATOM 1353 H H2O 451 -14.966 -18.267 6.346 1.00 1.00
ATOM 1354 O H2O 452 1.587 -9.206 3.543 1.00 1.00
ATOM 1355 H H2O 452 2.523 -8.931 3.325 1.00 1.00
ATOM 1356 H H2O 452 1.592 -9.794 4.352 1.00 1.00
ATOM 1357 O H2O 453 -3.439 -11.494 24.258 1.00 1.00
ATOM 1358 H H2O 453 -4.328 -11.132 23.975 1.00 1.00
ATOM 1359 H H2O 453 -3.526 -11.925 25.156 1.00 1.00
ATOM 1360 O H2O 454 -7.168 -16.364 8.565 1.00 1.00
ATOM 1361 H H2O 454 -6.516 -17.107 8.415 1.00 1.00
ATOM 1362 H H2O 454 -7.857 -16.655 9.229 1.00 1.00
ATOM 1363 O H2O 455 0.870 7.209 7.034 1.00 1.00
ATOM 1364 H H2O 455 1.642 6.956 6.451 1.00 1.00
ATOM 1365 H H2O 455 1.150 7.935 7.663 1.00 1.00
ATOM 1366 O H2O 456 -8.828 4.870 9.619 1.00 1.00
ATOM 1367 H H2O 456 -7.864 4.702 9.825 1.00 1.00
ATOM 1368 H H2O 456 -9.291 5.206 10.440 1.00 1.00
ATOM 1369 O H2O 457 -17.822 -16.528 16.019 1.00 1.00
ATOM 1370 H H2O 457 -16.872 -16.289 16.220 1.00 1.00
ATOM 1371 H H2O 457 -17.864 -17.026 15.153 1.00 1.00
ATOM 1372 O H2O 458 -10.876 -11.556 2.237 1.00 1.00
ATOM 1373 H H2O 458 -10.281 -11.253 1.493 1.00 1.00
ATOM 1374 H H2O 458 -10.721 -12.528 2.413 1.00 1.00
ATOM 1375 O H2O 459 -10.117 -14.947 6.203 1.00 1.00
ATOM 1376 H H2O 459 -11.032 -15.061 5.815 1.00 1.00
ATOM 1377 H H2O 459 -10.030 -14.027 6.587 1.00 1.00
ATOM 1378 O H2O 460 13.884 -17.739 -11.426 1.00 1.00
ATOM 1379 H H2O 460 14.012 -17.682 -10.435 1.00 1.00
ATOM 1380 H H2O 460 13.442 -16.904 -11.753 1.00 1.00
ATOM 1381 O H2O 461 -9.035 7.847 10.361 1.00 1.00
ATOM 1382 H H2O 461 -9.962 7.967 10.005 1.00 1.00
ATOM 1383 H H2O 461 -9.065 7.287 11.188 1.00 1.00
ATOM 1384 O H2O 462 -9.176 8.346 3.169 1.00 1.00
ATOM 1385 H H2O 462 -8.435 8.753 2.635 1.00 1.00
ATOM 1386 H H2O 462 -8.879 8.230 4.116 1.00 1.00
ATOM 1387 O H2O 463 5.880 -24.644 4.584 1.00 1.00
ATOM 1388 H H2O 463 5.396 -25.092 5.336 1.00 1.00
ATOM 1389 H H2O 463 6.696 -24.187 4.939 1.00 1.00
ATOM 1390 O H2O 464 -1.973 8.206 -3.053 1.00 1.00
ATOM 1391 H H2O 464 -1.918 7.959 -4.020 1.00 1.00
ATOM 1392 H H2O 464 -2.926 8.376 -2.805 1.00 1.00
ATOM 1393 O H2O 465 -1.129 2.185 -10.684 1.00 1.00
ATOM 1394 H H2O 465 -1.927 2.078 -11.277 1.00 1.00
ATOM 1395 H H2O 465 -0.922 1.312 -10.242 1.00 1.00
ATOM 1396 O H2O 466 -23.660 -24.647 -19.410 1.00 1.00
ATOM 1397 H H2O 466 -22.813 -24.122 -19.493 1.00 1.00
ATOM 1398 H H2O 466 -23.803 -24.899 -18.453 1.00 1.00
ATOM 1399 O H2O 467 -17.527 -16.072 0.098 1.00 1.00
ATOM 1400 H H2O 467 -18.457 -15.794 -0.141 1.00 1.00
ATOM 1401 H H2O 467 -17.560 -16.741 0.840 1.00 1.00
ATOM 1402 O H2O 468 -2.085 15.056 7.440 1.00 1.00
ATOM 1403 H H2O 468 -2.030 15.678 6.660 1.00 1.00
ATOM 1404 H H2O 468 -2.224 14.122 7.113 1.00 1.00
ATOM 1405 O H2O 469 -7.867 -5.666 9.167 1.00 1.00
ATOM 1406 H H2O 469 -7.170 -6.373 9.050 1.00 1.00
ATOM 1407 H H2O 469 -8.584 -5.788 8.481 1.00 1.00
ATOM 1408 O H2O 470 6.644 -21.272 -3.583 1.00 1.00
ATOM 1409 H H2O 470 6.607 -22.271 -3.569 1.00 1.00
ATOM 1410 H H2O 470 6.562 -20.922 -2.650 1.00 1.00
ATOM 1411 O H2O 471 13.654 -21.986 -2.618 1.00 1.00
ATOM 1412 H H2O 471 13.659 -21.002 -2.795 1.00 1.00
ATOM 1413 H H2O 471 13.924 -22.156 -1.670 1.00 1.00
ATOM 1414 O H2O 472 12.452 -18.922 35.731 1.00 1.00
ATOM 1415 H H2O 472 12.840 -18.012 35.586 1.00 1.00
ATOM 1416 H H2O 472 12.047 -19.252 34.878 1.00 1.00
ATOM 1417 O H2O 473 -2.298 -18.144 8.573 1.00 1.00
ATOM 1418 H H2O 473 -1.738 -18.958 8.727 1.00 1.00
ATOM 1419 H H2O 473 -1.972 -17.400 9.157 1.00 1.00
ATOM 1420 O H2O 474 -16.705 10.649 -15.678 1.00 1.00
ATOM 1421 H H2O 474 -16.909 11.505 -15.205 1.00 1.00
ATOM 1422 H H2O 474 -16.985 9.877 -15.107 1.00 1.00
ATOM 1423 O H2O 475 20.421 -5.025 -4.949 1.00 1.00
ATOM 1424 H H2O 475 20.558 -5.812 -5.551 1.00 1.00
ATOM 1425 H H2O 475 21.164 -4.370 -5.083 1.00 1.00
ATOM 1426 O H2O 476 -11.652 8.391 9.562 1.00 1.00
ATOM 1427 H H2O 476 -11.702 9.302 9.971 1.00 1.00
ATOM 1428 H H2O 476 -12.115 8.397 8.676 1.00 1.00
ATOM 1429 O H2O 477 -1.341 -14.227 3.743 1.00 1.00
ATOM 1430 H H2O 477 -0.766 -14.529 2.982 1.00 1.00
ATOM 1431 H H2O 477 -2.280 -14.536 3.594 1.00 1.00
ATOM 1432 O H2O 478 -4.446 7.708 3.823 1.00 1.00
ATOM 1433 H H2O 478 -3.707 7.542 4.476 1.00 1.00
ATOM 1434 H H2O 478 -5.316 7.769 4.312 1.00 1.00
ATOM 1435 O H2O 479 -8.650 -29.970 11.733 1.00 1.00
ATOM 1436 H H2O 479 -9.245 -30.695 12.079 1.00 1.00
ATOM 1437 H H2O 479 -8.165 -30.295 10.921 1.00 1.00
ATOM 1438 O H2O 480 -16.458 -8.499 22.646 1.00 1.00
ATOM 1439 H H2O 480 -15.592 -8.061 22.888 1.00 1.00
ATOM 1440 H H2O 480 -17.200 -8.080 23.170 1.00 1.00
ATOM 1441 O H2O 481 0.332 2.549 12.044 1.00 1.00
ATOM 1442 H H2O 481 1.217 2.083 12.054 1.00 1.00
ATOM 1443 H H2O 481 -0.105 2.454 12.938 1.00 1.00
ATOM 1444 O H2O 482 20.159 4.501 2.207 1.00 1.00
ATOM 1445 H H2O 482 20.741 4.085 1.508 1.00 1.00
ATOM 1446 H H2O 482 19.912 5.428 1.926 1.00 1.00
ATOM 1447 O H2O 483 2.607 6.892 -2.944 1.00 1.00
ATOM 1448 H H2O 483 2.476 5.902 -3.000 1.00 1.00
ATOM 1449 H H2O 483 2.123 7.335 -3.699 1.00 1.00
ATOM 1450 O H2O 484 -11.766 -8.974 22.329 1.00 1.00
ATOM 1451 H H2O 484 -11.733 -8.012 22.602 1.00 1.00
ATOM 1452 H H2O 484 -12.067 -9.040 21.377 1.00 1.00
ATOM 1453 O H2O 485 3.029 -5.994 12.448 1.00 1.00
ATOM 1454 H H2O 485 3.587 -6.817 12.343 1.00 1.00
ATOM 1455 H H2O 485 2.061 -6.242 12.418 1.00 1.00
ATOM 1456 O H2O 486 -9.467 1.983 6.865 1.00 1.00
ATOM 1457 H H2O 486 -9.605 2.554 6.056 1.00 1.00
ATOM 1458 H H2O 486 -9.892 2.419 7.658 1.00 1.00
ATOM 1459 O H2O 487 -17.736 -11.009 15.473 1.00 1.00
ATOM 1460 H H2O 487 -17.853 -12.001 15.523 1.00 1.00
ATOM 1461 H H2O 487 -17.659 -10.636 16.398 1.00 1.00
ATOM 1462 O H2O 488 -3.098 -18.244 11.961 1.00 1.00
ATOM 1463 H H2O 488 -3.879 -18.858 11.839 1.00 1.00
ATOM 1464 H H2O 488 -2.314 -18.597 11.450 1.00 1.00
ATOM 1465 O H2O 489 -5.287 -9.923 -4.430 1.00 1.00
ATOM 1466 H H2O 489 -5.338 -9.966 -3.432 1.00 1.00
ATOM 1467 H H2O 489 -5.624 -9.034 -4.742 1.00 1.00
ATOM 1468 O H2O 490 -12.006 -3.070 18.406 1.00 1.00
ATOM 1469 H H2O 490 -12.093 -3.805 17.734 1.00 1.00
ATOM 1470 H H2O 490 -11.061 -3.027 18.732 1.00 1.00
ATOM 1471 O H2O 491 -7.605 0.088 0.102 1.00 1.00
ATOM 1472 H H2O 491 -6.687 0.002 0.489 1.00 1.00
ATOM 1473 H H2O 491 -7.984 0.982 0.338 1.00 1.00
ATOM 1474 O H2O 492 -5.180 -28.613 13.358 1.00 1.00
ATOM 1475 H H2O 492 -4.388 -28.118 13.716 1.00 1.00
ATOM 1476 H H2O 492 -4.869 -29.414 12.846 1.00 1.00
ATOM 1477 O H2O 493 -17.417 -7.152 -4.401 1.00 1.00
ATOM 1478 H H2O 493 -17.086 -7.811 -3.725 1.00 1.00
ATOM 1479 H H2O 493 -16.642 -6.655 -4.790 1.00 1.00
ATOM 1480 O H2O 494 -23.437 -16.529 9.188 1.00 1.00
ATOM 1481 H H2O 494 -24.374 -16.190 9.110 1.00 1.00
ATOM 1482 H H2O 494 -22.797 -15.770 9.069 1.00 1.00
ATOM 1483 O H2O 495 -9.791 21.132 14.617 1.00 1.00
ATOM 1484 H H2O 495 -8.885 21.091 15.040 1.00 1.00
ATOM 1485 H H2O 495 -9.972 20.276 14.133 1.00 1.00
ATOM 1486 O H2O 496 9.290 -16.626 -1.673 1.00 1.00
ATOM 1487 H H2O 496 9.584 -16.217 -2.536 1.00 1.00
ATOM 1488 H H2O 496 8.646 -16.012 -1.216 1.00 1.00
ATOM 1489 O H2O 497 -7.456 -8.675 41.012 1.00 1.00
ATOM 1490 H H2O 497 -7.549 -9.634 41.278 1.00 1.00
ATOM 1491 H H2O 497 -7.852 -8.092 41.721 1.00 1.00
ATOM 1492 O H2O 498 4.074 -9.252 -6.539 1.00 1.00
ATOM 1493 H H2O 498 3.784 -8.555 -5.884 1.00 1.00
ATOM 1494 H H2O 498 3.297 -9.838 -6.768 1.00 1.00
ATOM 1495 O H2O 499 -4.256 -11.651 6.129 1.00 1.00
ATOM 1496 H H2O 499 -4.332 -11.771 7.119 1.00 1.00
ATOM 1497 H H2O 499 -4.755 -12.382 5.665 1.00 1.00
ATOM 1498 O H2O 500 5.283 -20.698 8.994 1.00 1.00
ATOM 1499 H H2O 500 5.656 -21.623 8.921 1.00 1.00
ATOM 1500 H H2O 500 4.987 -20.386 8.091 1.00 1.00
ATOM 1501 O H2O 501 -16.848 -22.536 -1.048 1.00 1.00
ATOM 1502 H H2O 501 -16.169 -23.256 -0.905 1.00 1.00
ATOM 1503 H H2O 501 -17.285 -22.313 -0.177 1.00 1.00
ATOM 1504 O H2O 502 -0.248 13.494 2.279 1.00 1.00
ATOM 1505 H H2O 502 -0.833 13.545 3.089 1.00 1.00
ATOM 1506 H H2O 502 0.417 14.240 2.301 1.00 1.00
ATOM 1507 O H2O 503 -32.976 -3.904 1.187 1.00 1.00
ATOM 1508 H H2O 503 -33.332 -2.998 1.417 1.00 1.00
ATOM 1509 H H2O 503 -31.994 -3.839 1.006 1.00 1.00
ATOM 1510 O H2O 504 -19.353 -10.560 3.825 1.00 1.00
ATOM 1511 H H2O 504 -19.927 -11.063 4.471 1.00 1.00
ATOM 1512 H H2O 504 -19.392 -11.003 2.930 1.00 1.00
ATOM 1513 O H2O 505 -7.392 -9.123 24.371 1.00 1.00
ATOM 1514 H H2O 505 -7.682 -8.246 23.989 1.00 1.00
ATOM 1515 H H2O 505 -6.948 -8.971 25.254 1.00 1.00
ATOM 1516 O H2O 506 7.574 -16.469 -14.213 1.00 1.00
ATOM 1517 H H2O 506 7.290 -16.508 -13.255 1.00 1.00
ATOM 1518 H H2O 506 7.581 -17.393 -14.596 1.00 1.00
ATOM 1519 O H2O 507 -14.887 -13.292 17.940 1.00 1.00
ATOM 1520 H H2O 507 -14.595 -12.362 17.715 1.00 1.00
ATOM 1521 H H2O 507 -15.862 -13.290 18.163 1.00 1.00
ATOM 1522 O H2O 508 -6.594 2.813 -21.717 1.00 1.00
ATOM 1523 H H2O 508 -6.173 2.340 -20.943 1.00 1.00
ATOM 1524 H H2O 508 -5.942 3.466 -22.103 1.00 1.00
ATOM 1525 O H2O 509 0.730 -0.959 3.006 1.00 1.00
ATOM 1526 H H2O 509 1.431 -1.672 3.003 1.00 1.00
ATOM 1527 H H2O 509 0.817 -0.410 3.837 1.00 1.00
ATOM 1528 O H2O 510 0.331 -5.063 2.977 1.00 1.00
ATOM 1529 H H2O 510 0.402 -5.866 2.386 1.00 1.00
ATOM 1530 H H2O 510 -0.588 -4.676 2.905 1.00 1.00
ATOM 1531 O H2O 511 -12.417 2.219 12.700 1.00 1.00
ATOM 1532 H H2O 511 -12.932 3.064 12.841 1.00 1.00
ATOM 1533 H H2O 511 -11.445 2.389 12.867 1.00 1.00
ATOM 1534 O H2O 512 -8.142 13.675 -4.756 1.00 1.00
ATOM 1535 H H2O 512 -8.165 12.841 -5.307 1.00 1.00
ATOM 1536 H H2O 512 -7.220 14.063 -4.775 1.00 1.00
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