Thread: [Apbs-users] Problem when calculating isocontour surface of a mineral
Biomolecular electrostatics software
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From: Eric F. <eri...@un...> - 2010-08-19 16:05:32
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Hi, I am trying to represent an isocontour volume of a layered mineral. I modified a pqr file to enter the coordinates, radius and atomic charges of all atoms (see below). The structure is displayed with 1008 atoms, the total charge is neutral. Although this seems okay when I display the structure under VMD as CPK model, the isocontour surface calculated is weird, like cutting the structure in two along a diagonal and I do not understand why. I wonder if the problem is related to the bondary conditions and especially to the distribution of atoms at the edges of the structure ? Does anyone could give me some track? Many thanks for your help ! Eric ----------------------------- ATOM 1 Mg TARG 1 1.838 7.644 0.000 1.050 5.909 ATOM 2 Mg TARG 1 7.358 7.644 0.000 1.050 5.909 ATOM 3 Mg TARG 1 12.878 7.644 0.000 1.050 5.909 ATOM 4 Mg TARG 1 18.398 7.644 0.000 1.050 5.909 ATOM 5 Mg TARG 1 23.918 7.644 0.000 1.050 5.909 ATOM 6 Mg TARG 1 29.438 7.644 0.000 1.050 5.909 ATOM 7 Mg TARG 1 1.838 16.854 0.000 1.050 5.909 ATOM 8 Mg TARG 1 7.358 16.854 0.000 1.050 5.909 ATOM 9 Mg TARG 1 12.878 16.854 0.000 1.050 5.909 ATOM 10 Mg TARG 1 18.398 16.854 0.000 1.050 5.909 ATOM 11 Mg TARG 1 23.918 16.854 0.000 1.050 5.909 ATOM 12 Mg TARG 1 29.438 16.854 0.000 1.050 5.909 ATOM 13 Mg TARG 1 1.838 26.064 0.000 1.050 5.909 ATOM 14 Mg TARG 1 7.358 26.064 0.000 1.050 5.909 ATOM 15 Mg TARG 1 12.878 26.064 0.000 1.050 5.909 ATOM 16 Mg TARG 1 18.398 26.064 0.000 1.050 5.909 ATOM 17 Mg TARG 1 23.918 26.064 0.000 1.050 5.909 ATOM 18 Mg TARG 1 29.438 26.064 0.000 1.050 5.909 ATOM 19 Mg TARG 1 1.838 35.274 0.000 1.050 5.909 ATOM 20 Mg TARG 1 7.358 35.274 0.000 1.050 5.909 ATOM 21 Mg TARG 1 12.878 35.274 0.000 1.050 5.909 ATOM 22 Mg TARG 1 18.398 35.274 0.000 1.050 5.909 ATOM 23 Mg TARG 1 23.918 35.274 0.000 1.050 5.909 ATOM 24 Mg TARG 1 29.438 35.274 0.000 1.050 5.909 ATOM 25 Mg TARG 1 -0.822 3.039 0.000 1.050 5.909 ATOM 26 Mg TARG 1 4.698 3.039 0.000 1.050 5.909 ATOM 27 Mg TARG 1 10.218 3.039 0.000 1.050 5.909 ATOM 28 Mg TARG 1 15.738 3.039 0.000 1.050 5.909 ATOM 29 Mg TARG 1 21.258 3.039 0.000 1.050 5.909 ATOM 30 Mg TARG 1 26.778 3.039 0.000 1.050 5.909 ATOM 31 Mg TARG 1 -0.822 12.249 0.000 1.050 5.909 ATOM 32 Mg TARG 1 4.698 12.249 0.000 1.050 5.909 ATOM 33 Mg TARG 1 10.218 12.249 0.000 1.050 5.909 ATOM 34 Mg TARG 1 15.738 12.249 0.000 1.050 5.909 ATOM 35 Mg TARG 1 21.258 12.249 0.000 1.050 5.909 ATOM 36 Mg TARG 1 26.778 12.249 0.000 1.050 5.909 ATOM 37 Mg TARG 1 -0.822 21.459 0.000 1.050 5.909 ATOM 38 Mg TARG 1 4.698 21.459 0.000 1.050 5.909 ATOM 39 Mg TARG 1 10.218 21.459 0.000 1.050 5.909 ATOM 40 Mg TARG 1 15.738 21.459 0.000 1.050 5.909 ATOM 41 Mg TARG 1 21.258 21.459 0.000 1.050 5.909 ATOM 42 Mg TARG 1 26.778 21.459 0.000 1.050 5.909 ATOM 43 Mg TARG 1 -0.822 30.669 0.000 1.050 5.909 ATOM 44 Mg TARG 1 4.698 30.669 0.000 1.050 5.909 ATOM 45 Mg TARG 1 10.218 30.669 0.000 1.050 5.909 ATOM 46 Mg TARG 1 15.738 30.669 0.000 1.050 5.909 ATOM 47 Mg TARG 1 21.258 30.669 0.000 1.050 5.909 ATOM 48 Mg TARG 1 26.778 30.669 0.000 1.050 5.909 ATOM 49 Mg TARG 1 1.838 1.566 0.000 1.050 5.909 ATOM 50 Mg TARG 1 7.358 1.566 0.000 1.050 5.909 ATOM 51 Mg TARG 1 12.878 1.566 0.000 1.050 5.909 ATOM 52 Mg TARG 1 18.398 1.566 0.000 1.050 5.909 ATOM 53 Mg TARG 1 23.918 1.566 0.000 1.050 5.909 ATOM 54 Mg TARG 1 29.438 1.566 0.000 1.050 5.909 ATOM 55 Mg TARG 1 1.838 10.776 0.000 1.050 5.909 ATOM 56 Mg TARG 1 7.358 10.776 0.000 1.050 5.909 ATOM 57 Mg TARG 1 12.878 10.776 0.000 1.050 5.909 ATOM 58 Mg TARG 1 18.398 10.776 0.000 1.050 5.909 ATOM 59 Mg TARG 1 23.918 10.776 0.000 1.050 5.909 ATOM 60 Mg TARG 1 29.438 10.776 0.000 1.050 5.909 ATOM 61 Mg TARG 1 1.838 19.986 0.000 1.050 5.909 ATOM 62 Mg TARG 1 7.358 19.986 0.000 1.050 5.909 ATOM 63 Mg TARG 1 12.878 19.986 0.000 1.050 5.909 ATOM 64 Mg TARG 1 18.398 19.986 0.000 1.050 5.909 ATOM 65 Mg TARG 1 23.918 19.986 0.000 1.050 5.909 ATOM 66 Mg TARG 1 29.438 19.986 0.000 1.050 5.909 ATOM 67 Mg TARG 1 1.838 29.196 0.000 1.050 5.909 ATOM 68 Mg TARG 1 7.358 29.196 0.000 1.050 5.909 ATOM 69 Mg TARG 1 12.878 29.196 0.000 1.050 5.909 ATOM 70 Mg TARG 1 18.398 29.196 0.000 1.050 5.909 ATOM 71 Mg TARG 1 23.918 29.196 0.000 1.050 5.909 ATOM 72 Mg TARG 1 29.438 29.196 0.000 1.050 5.909 ATOM 73 Si TARG 1 0.944 3.039 2.759 2.100 3.706 ATOM 74 Si TARG 1 6.464 3.039 2.759 2.100 3.706 ATOM 75 Si TARG 1 11.984 3.039 2.759 2.100 3.706 ATOM 76 Si TARG 1 17.504 3.039 2.759 2.100 3.706 ATOM 77 Si TARG 1 23.024 3.039 2.759 2.100 3.706 ATOM 78 Si TARG 1 28.544 3.039 2.759 2.100 3.706 ATOM 79 Si TARG 1 0.944 12.249 2.759 2.100 3.706 ATOM 80 Si TARG 1 6.464 12.249 2.759 2.100 3.706 ATOM 81 Si TARG 1 11.984 12.249 2.759 2.100 3.706 ATOM 82 Si TARG 1 17.504 12.249 2.759 2.100 3.706 ATOM 83 Si TARG 1 23.024 12.249 2.759 2.100 3.706 ATOM 84 Si TARG 1 28.544 12.249 2.759 2.100 3.706 ATOM 85 Si TARG 1 0.944 21.459 2.759 2.100 3.706 ATOM 86 Si TARG 1 6.464 21.459 2.759 2.100 3.706 ATOM 87 Si TARG 1 11.984 21.459 2.759 2.100 3.706 ATOM 88 Si TARG 1 17.504 21.459 2.759 2.100 3.706 ATOM 89 Si TARG 1 23.024 21.459 2.759 2.100 3.706 ATOM 90 Si TARG 1 28.544 21.459 2.759 2.100 3.706 ATOM 91 Si TARG 1 0.944 30.669 2.759 2.100 3.706 ATOM 92 Si TARG 1 6.464 30.669 2.759 2.100 3.706 ATOM 93 Si TARG 1 11.984 30.669 2.759 2.100 3.706 ATOM 94 Si TARG 1 17.504 30.669 2.759 2.100 3.706 ATOM 95 Si TARG 1 23.024 30.669 2.759 2.100 3.706 ATOM 96 Si TARG 1 28.544 30.669 2.759 2.100 3.706 ATOM 97 Si TARG 1 3.604 7.644 2.759 2.100 3.706 ATOM 98 Si TARG 1 9.124 7.644 2.759 2.100 3.706 ATOM 99 Si TARG 1 14.644 7.644 2.759 2.100 3.706 ATOM 100 Si TARG 1 20.164 7.644 2.759 2.100 3.706 ATOM 101 Si TARG 1 25.684 7.644 2.759 2.100 3.706 ATOM 102 Si TARG 1 31.204 7.644 2.759 2.100 3.706 ATOM 103 Si TARG 1 3.604 16.854 2.759 2.100 3.706 ATOM 104 Si TARG 1 9.124 16.854 2.759 2.100 3.706 ATOM 105 Si TARG 1 14.644 16.854 2.759 2.100 3.706 ATOM 106 Si TARG 1 20.164 16.854 2.759 2.100 3.706 ATOM 107 Si TARG 1 25.684 16.854 2.759 2.100 3.706 ATOM 108 Si TARG 1 31.204 16.854 2.759 2.100 3.706 ATOM 109 Si TARG 1 3.604 26.064 2.759 2.100 3.706 ATOM 110 Si TARG 1 9.124 26.064 2.759 2.100 3.706 ATOM 111 Si TARG 1 14.644 26.064 2.759 2.100 3.706 ATOM 112 Si TARG 1 20.164 26.064 2.759 2.100 3.706 ATOM 113 Si TARG 1 25.684 26.064 2.759 2.100 3.706 ATOM 114 Si TARG 1 31.204 26.064 2.759 2.100 3.706 ATOM 115 Si TARG 1 3.604 35.274 2.759 2.100 3.706 ATOM 116 Si TARG 1 9.124 35.274 2.759 2.100 3.706 ATOM 117 Si TARG 1 14.644 35.274 2.759 2.100 3.706 ATOM 118 Si TARG 1 20.164 35.274 2.759 2.100 3.706 ATOM 119 Si TARG 1 25.684 35.274 2.759 2.100 3.706 ATOM 120 Si TARG 1 31.204 35.274 2.759 2.100 3.706 ATOM 121 Si TARG 1 0.944 6.171 2.759 2.100 3.706 ATOM 122 Si TARG 1 6.464 6.171 2.759 2.100 3.706 ATOM 123 Si TARG 1 11.984 6.171 2.759 2.100 3.706 ATOM 124 Si TARG 1 17.504 6.171 2.759 2.100 3.706 ATOM 125 Si TARG 1 23.024 6.171 2.759 2.100 3.706 ATOM 126 Si TARG 1 28.544 6.171 2.759 2.100 3.706 ATOM 127 Si TARG 1 0.944 15.381 2.759 2.100 3.706 ATOM 128 Si TARG 1 6.464 15.381 2.759 2.100 3.706 ATOM 129 Si TARG 1 11.984 15.381 2.759 2.100 3.706 ATOM 130 Si TARG 1 17.504 15.381 2.759 2.100 3.706 ATOM 131 Si TARG 1 23.024 15.381 2.759 2.100 3.706 ATOM 132 Si TARG 1 28.544 15.381 2.759 2.100 3.706 ATOM 133 Si TARG 1 0.944 24.591 2.759 2.100 3.706 ATOM 134 Si TARG 1 6.464 24.591 2.759 2.100 3.706 ATOM 135 Si TARG 1 11.984 24.591 2.759 2.100 3.706 ATOM 136 Si TARG 1 17.504 24.591 2.759 2.100 3.706 ATOM 137 Si TARG 1 23.024 24.591 2.759 2.100 3.706 ATOM 138 Si TARG 1 28.544 24.591 2.759 2.100 3.706 ATOM 139 Si TARG 1 0.944 33.801 2.759 2.100 3.706 ATOM 140 Si TARG 1 6.464 33.801 2.759 2.100 3.706 ATOM 141 Si TARG 1 11.984 33.801 2.759 2.100 3.706 ATOM 142 Si TARG 1 17.504 33.801 2.759 2.100 3.706 ATOM 143 Si TARG 1 23.024 33.801 2.759 2.100 3.706 ATOM 144 Si TARG 1 28.544 33.801 2.759 2.100 3.706 ATOM 145 Si TARG 1 3.604 1.566 2.759 2.100 3.706 ATOM 146 Si TARG 1 9.124 1.566 2.759 2.100 3.706 ATOM 147 Si TARG 1 14.644 1.566 2.759 2.100 3.706 ATOM 148 Si TARG 1 20.164 1.566 2.759 2.100 3.706 ATOM 149 Si TARG 1 25.684 1.566 2.759 2.100 3.706 ATOM 150 Si TARG 1 31.204 1.566 2.759 2.100 3.706 ATOM 151 Si TARG 1 3.604 10.776 2.759 2.100 3.706 ATOM 152 Si TARG 1 9.124 10.776 2.759 2.100 3.706 ATOM 153 Si TARG 1 14.644 10.776 2.759 2.100 3.706 ATOM 154 Si TARG 1 20.164 10.776 2.759 2.100 3.706 ATOM 155 Si TARG 1 25.684 10.776 2.759 2.100 3.706 ATOM 156 Si TARG 1 31.204 10.776 2.759 2.100 3.706 ATOM 157 Si TARG 1 3.604 19.986 2.759 2.100 3.706 ATOM 158 Si TARG 1 9.124 19.986 2.759 2.100 3.706 ATOM 159 Si TARG 1 14.644 19.986 2.759 2.100 3.706 ATOM 160 Si TARG 1 20.164 19.986 2.759 2.100 3.706 ATOM 161 Si TARG 1 25.684 19.986 2.759 2.100 3.706 ATOM 162 Si TARG 1 31.204 19.986 2.759 2.100 3.706 ATOM 163 Si TARG 1 3.604 29.196 2.759 2.100 3.706 ATOM 164 Si TARG 1 9.124 29.196 2.759 2.100 3.706 ATOM 165 Si TARG 1 14.644 29.196 2.759 2.100 3.706 ATOM 166 Si TARG 1 20.164 29.196 2.759 2.100 3.706 ATOM 167 Si TARG 1 25.684 29.196 2.759 2.100 3.706 ATOM 168 Si TARG 1 31.204 29.196 2.759 2.100 3.706 ATOM 169 O TARG 1 3.604 0.000 3.350 -1.050 3.553 ATOM 170 O TARG 1 9.124 0.000 3.350 -1.050 3.553 ATOM 171 O TARG 1 14.644 0.000 3.350 -1.050 3.553 ATOM 172 O TARG 1 20.164 0.000 3.350 -1.050 3.553 ATOM 173 O TARG 1 25.684 0.000 3.350 -1.050 3.553 ATOM 174 O TARG 1 31.204 0.000 3.350 -1.050 3.553 ATOM 175 O TARG 1 3.604 9.210 3.350 -1.050 3.553 ATOM 176 O TARG 1 9.124 9.210 3.350 -1.050 3.553 ATOM 177 O TARG 1 14.644 9.210 3.350 -1.050 3.553 ATOM 178 O TARG 1 20.164 9.210 3.350 -1.050 3.553 ATOM 179 O TARG 1 25.684 9.210 3.350 -1.050 3.553 ATOM 180 O TARG 1 31.204 9.210 3.350 -1.050 3.553 ATOM 181 O TARG 1 3.604 18.420 3.350 -1.050 3.553 ATOM 182 O TARG 1 9.124 18.420 3.350 -1.050 3.553 ATOM 183 O TARG 1 14.644 18.420 3.350 -1.050 3.553 ATOM 184 O TARG 1 20.164 18.420 3.350 -1.050 3.553 ATOM 185 O TARG 1 25.684 18.420 3.350 -1.050 3.553 ATOM 186 O TARG 1 31.204 18.420 3.350 -1.050 3.553 ATOM 187 O TARG 1 3.604 27.630 3.350 -1.050 3.553 ATOM 188 O TARG 1 9.124 27.630 3.350 -1.050 3.553 ATOM 189 O TARG 1 14.644 27.630 3.350 -1.050 3.553 ATOM 190 O TARG 1 20.164 27.630 3.350 -1.050 3.553 ATOM 191 O TARG 1 25.684 27.630 3.350 -1.050 3.553 ATOM 192 O TARG 1 31.204 27.630 3.350 -1.050 3.553 ATOM 193 O TARG 1 0.944 4.605 3.350 -1.050 3.553 ATOM 194 O TARG 1 6.464 4.605 3.350 -1.050 3.553 ATOM 195 O TARG 1 11.984 4.605 3.350 -1.050 3.553 ATOM 196 O TARG 1 17.504 4.605 3.350 -1.050 3.553 ATOM 197 O TARG 1 23.024 4.605 3.350 -1.050 3.553 ATOM 198 O TARG 1 28.544 4.605 3.350 -1.050 3.553 ATOM 199 O TARG 1 0.944 13.815 3.350 -1.050 3.553 ATOM 200 O TARG 1 6.464 13.815 3.350 -1.050 3.553 ATOM 201 O TARG 1 11.984 13.815 3.350 -1.050 3.553 ATOM 202 O TARG 1 17.504 13.815 3.350 -1.050 3.553 ATOM 203 O TARG 1 23.024 13.815 3.350 -1.050 3.553 ATOM 204 O TARG 1 28.544 13.815 3.350 -1.050 3.553 ATOM 205 O TARG 1 0.944 23.025 3.350 -1.050 3.553 ATOM 206 O TARG 1 6.464 23.025 3.350 -1.050 3.553 ATOM 207 O TARG 1 11.984 23.025 3.350 -1.050 3.553 ATOM 208 O TARG 1 17.504 23.025 3.350 -1.050 3.553 ATOM 209 O TARG 1 23.024 23.025 3.350 -1.050 3.553 ATOM 210 O TARG 1 28.544 23.025 3.350 -1.050 3.553 ATOM 211 O TARG 1 0.944 32.235 3.350 -1.050 3.553 ATOM 212 O TARG 1 6.464 32.235 3.350 -1.050 3.553 ATOM 213 O TARG 1 11.984 32.235 3.350 -1.050 3.553 ATOM 214 O TARG 1 17.504 32.235 3.350 -1.050 3.553 ATOM 215 O TARG 1 23.024 32.235 3.350 -1.050 3.553 ATOM 216 O TARG 1 28.544 32.235 3.350 -1.050 3.553 ATOM 217 O TARG 1 -0.386 2.303 3.350 -1.050 3.553 ATOM 218 O TARG 1 5.134 2.303 3.350 -1.050 3.553 ATOM 219 O TARG 1 10.654 2.303 3.350 -1.050 3.553 ATOM 220 O TARG 1 16.174 2.303 3.350 -1.050 3.553 ATOM 221 O TARG 1 21.694 2.303 3.350 -1.050 3.553 ATOM 222 O TARG 1 27.214 2.303 3.350 -1.050 3.553 ATOM 223 O TARG 1 -0.386 11.513 3.350 -1.050 3.553 ATOM 224 O TARG 1 5.134 11.513 3.350 -1.050 3.553 ATOM 225 O TARG 1 10.654 11.513 3.350 -1.050 3.553 ATOM 226 O TARG 1 16.174 11.513 3.350 -1.050 3.553 ATOM 227 O TARG 1 21.694 11.513 3.350 -1.050 3.553 ATOM 228 O TARG 1 27.214 11.513 3.350 -1.050 3.553 ATOM 229 O TARG 1 -0.386 20.723 3.350 -1.050 3.553 ATOM 230 O TARG 1 5.134 20.723 3.350 -1.050 3.553 ATOM 231 O TARG 1 10.654 20.723 3.350 -1.050 3.553 ATOM 232 O TARG 1 16.174 20.723 3.350 -1.050 3.553 ATOM 233 O TARG 1 21.694 20.723 3.350 -1.050 3.553 ATOM 234 O TARG 1 27.214 20.723 3.350 -1.050 3.553 ATOM 235 O TARG 1 -0.386 29.933 3.350 -1.050 3.553 ATOM 236 O TARG 1 5.134 29.933 3.350 -1.050 3.553 ATOM 237 O TARG 1 10.654 29.933 3.350 -1.050 3.553 ATOM 238 O TARG 1 16.174 29.933 3.350 -1.050 3.553 ATOM 239 O TARG 1 21.694 29.933 3.350 -1.050 3.553 ATOM 240 O TARG 1 27.214 29.933 3.350 -1.050 3.553 ATOM 241 O TARG 1 2.274 6.908 3.350 -1.050 3.553 ATOM 242 O TARG 1 7.794 6.908 3.350 -1.050 3.553 ATOM 243 O TARG 1 13.314 6.908 3.350 -1.050 3.553 ATOM 244 O TARG 1 18.834 6.908 3.350 -1.050 3.553 ATOM 245 O TARG 1 24.354 6.908 3.350 -1.050 3.553 ATOM 246 O TARG 1 29.874 6.908 3.350 -1.050 3.553 ATOM 247 O TARG 1 2.274 16.118 3.350 -1.050 3.553 ATOM 248 O TARG 1 7.794 16.118 3.350 -1.050 3.553 ATOM 249 O TARG 1 13.314 16.118 3.350 -1.050 3.553 ATOM 250 O TARG 1 18.834 16.118 3.350 -1.050 3.553 ATOM 251 O TARG 1 24.354 16.118 3.350 -1.050 3.553 ATOM 252 O TARG 1 29.874 16.118 3.350 -1.050 3.553 ATOM 253 O TARG 1 2.274 25.328 3.350 -1.050 3.553 ATOM 254 O TARG 1 7.794 25.328 3.350 -1.050 3.553 ATOM 255 O TARG 1 13.314 25.328 3.350 -1.050 3.553 ATOM 256 O TARG 1 18.834 25.328 3.350 -1.050 3.553 ATOM 257 O TARG 1 24.354 25.328 3.350 -1.050 3.553 ATOM 258 O TARG 1 29.874 25.328 3.350 -1.050 3.553 ATOM 259 O TARG 1 2.274 34.538 3.350 -1.050 3.553 ATOM 260 O TARG 1 7.794 34.538 3.350 -1.050 3.553 ATOM 261 O TARG 1 13.314 34.538 3.350 -1.050 3.553 ATOM 262 O TARG 1 18.834 34.538 3.350 -1.050 3.553 ATOM 263 O TARG 1 24.354 34.538 3.350 -1.050 3.553 ATOM 264 O TARG 1 29.874 34.538 3.350 -1.050 3.553 ATOM 265 O TARG 1 -0.386 6.908 3.350 -1.050 3.553 ATOM 266 O TARG 1 5.134 6.908 3.350 -1.050 3.553 ATOM 267 O TARG 1 10.654 6.908 3.350 -1.050 3.553 ATOM 268 O TARG 1 16.174 6.908 3.350 -1.050 3.553 ATOM 269 O TARG 1 21.694 6.908 3.350 -1.050 3.553 ATOM 270 O TARG 1 27.214 6.908 3.350 -1.050 3.553 ATOM 271 O TARG 1 -0.386 16.118 3.350 -1.050 3.553 ATOM 272 O TARG 1 5.134 16.118 3.350 -1.050 3.553 ATOM 273 O TARG 1 10.654 16.118 3.350 -1.050 3.553 ATOM 274 O TARG 1 16.174 16.118 3.350 -1.050 3.553 ATOM 275 O TARG 1 21.694 16.118 3.350 -1.050 3.553 ATOM 276 O TARG 1 27.214 16.118 3.350 -1.050 3.553 ATOM 277 O TARG 1 -0.386 25.328 3.350 -1.050 3.553 ATOM 278 O TARG 1 5.134 25.328 3.350 -1.050 3.553 ATOM 279 O TARG 1 10.654 25.328 3.350 -1.050 3.553 ATOM 280 O TARG 1 16.174 25.328 3.350 -1.050 3.553 ATOM 281 O TARG 1 21.694 25.328 3.350 -1.050 3.553 ATOM 282 O TARG 1 27.214 25.328 3.350 -1.050 3.553 ATOM 283 O TARG 1 -0.386 34.538 3.350 -1.050 3.553 ATOM 284 O TARG 1 5.134 34.538 3.350 -1.050 3.553 ATOM 285 O TARG 1 10.654 34.538 3.350 -1.050 3.553 ATOM 286 O TARG 1 16.174 34.538 3.350 -1.050 3.553 ATOM 287 O TARG 1 21.694 34.538 3.350 -1.050 3.553 ATOM 288 O TARG 1 27.214 34.538 3.350 -1.050 3.553 ATOM 289 O TARG 1 2.274 2.303 3.350 -1.050 3.553 ATOM 290 O TARG 1 7.794 2.303 3.350 -1.050 3.553 ATOM 291 O TARG 1 13.314 2.303 3.350 -1.050 3.553 ATOM 292 O TARG 1 18.834 2.303 3.350 -1.050 3.553 ATOM 293 O TARG 1 24.354 2.303 3.350 -1.050 3.553 ATOM 294 O TARG 1 29.874 2.303 3.350 -1.050 3.553 ATOM 295 O TARG 1 2.274 11.513 3.350 -1.050 3.553 ATOM 296 O TARG 1 7.794 11.513 3.350 -1.050 3.553 ATOM 297 O TARG 1 13.314 11.513 3.350 -1.050 3.553 ATOM 298 O TARG 1 18.834 11.513 3.350 -1.050 3.553 ATOM 299 O TARG 1 24.354 11.513 3.350 -1.050 3.553 ATOM 300 O TARG 1 29.874 11.513 3.350 -1.050 3.553 ATOM 301 O TARG 1 2.274 20.723 3.350 -1.050 3.553 ATOM 302 O TARG 1 7.794 20.723 3.350 -1.050 3.553 ATOM 303 O TARG 1 13.314 20.723 3.350 -1.050 3.553 ATOM 304 O TARG 1 18.834 20.723 3.350 -1.050 3.553 ATOM 305 O TARG 1 24.354 20.723 3.350 -1.050 3.553 ATOM 306 O TARG 1 29.874 20.723 3.350 -1.050 3.553 ATOM 307 O TARG 1 2.274 29.933 3.350 -1.050 3.553 ATOM 308 O TARG 1 7.794 29.933 3.350 -1.050 3.553 ATOM 309 O TARG 1 13.314 29.933 3.350 -1.050 3.553 ATOM 310 O TARG 1 18.834 29.933 3.350 -1.050 3.553 ATOM 311 O TARG 1 24.354 29.933 3.350 -1.050 3.553 ATOM 312 O TARG 1 29.874 29.933 3.350 -1.050 3.553 ATOM 313 O TARG 1 0.934 3.039 1.182 -1.050 3.553 ATOM 314 O TARG 1 6.454 3.039 1.182 -1.050 3.553 ATOM 315 O TARG 1 11.974 3.039 1.182 -1.050 3.553 ATOM 316 O TARG 1 17.494 3.039 1.182 -1.050 3.553 ATOM 317 O TARG 1 23.014 3.039 1.182 -1.050 3.553 ATOM 318 O TARG 1 28.534 3.039 1.182 -1.050 3.553 ATOM 319 O TARG 1 0.934 12.249 1.182 -1.050 3.553 ATOM 320 O TARG 1 6.454 12.249 1.182 -1.050 3.553 ATOM 321 O TARG 1 11.974 12.249 1.182 -1.050 3.553 ATOM 322 O TARG 1 17.494 12.249 1.182 -1.050 3.553 ATOM 323 O TARG 1 23.014 12.249 1.182 -1.050 3.553 ATOM 324 O TARG 1 28.534 12.249 1.182 -1.050 3.553 ATOM 325 O TARG 1 0.934 21.459 1.182 -1.050 3.553 ATOM 326 O TARG 1 6.454 21.459 1.182 -1.050 3.553 ATOM 327 O TARG 1 11.974 21.459 1.182 -1.050 3.553 ATOM 328 O TARG 1 17.494 21.459 1.182 -1.050 3.553 ATOM 329 O TARG 1 23.014 21.459 1.182 -1.050 3.553 ATOM 330 O TARG 1 28.534 21.459 1.182 -1.050 3.553 ATOM 331 O TARG 1 0.934 30.669 1.182 -1.050 3.553 ATOM 332 O TARG 1 6.454 30.669 1.182 -1.050 3.553 ATOM 333 O TARG 1 11.974 30.669 1.182 -1.050 3.553 ATOM 334 O TARG 1 17.494 30.669 1.182 -1.050 3.553 ATOM 335 O TARG 1 23.014 30.669 1.182 -1.050 3.553 ATOM 336 O TARG 1 28.534 30.669 1.182 -1.050 3.553 ATOM 337 O TARG 1 3.594 7.644 1.182 -1.050 3.553 ATOM 338 O TARG 1 9.114 7.644 1.182 -1.050 3.553 ATOM 339 O TARG 1 14.634 7.644 1.182 -1.050 3.553 ATOM 340 O TARG 1 20.154 7.644 1.182 -1.050 3.553 ATOM 341 O TARG 1 25.674 7.644 1.182 -1.050 3.553 ATOM 342 O TARG 1 31.194 7.644 1.182 -1.050 3.553 ATOM 343 O TARG 1 3.594 16.854 1.182 -1.050 3.553 ATOM 344 O TARG 1 9.114 16.854 1.182 -1.050 3.553 ATOM 345 O TARG 1 14.634 16.854 1.182 -1.050 3.553 ATOM 346 O TARG 1 20.154 16.854 1.182 -1.050 3.553 ATOM 347 O TARG 1 25.674 16.854 1.182 -1.050 3.553 ATOM 348 O TARG 1 31.194 16.854 1.182 -1.050 3.553 ATOM 349 O TARG 1 3.594 26.064 1.182 -1.050 3.553 ATOM 350 O TARG 1 9.114 26.064 1.182 -1.050 3.553 ATOM 351 O TARG 1 14.634 26.064 1.182 -1.050 3.553 ATOM 352 O TARG 1 20.154 26.064 1.182 -1.050 3.553 ATOM 353 O TARG 1 25.674 26.064 1.182 -1.050 3.553 ATOM 354 O TARG 1 31.194 26.064 1.182 -1.050 3.553 ATOM 355 O TARG 1 3.594 35.274 1.182 -1.050 3.553 ATOM 356 O TARG 1 9.114 35.274 1.182 -1.050 3.553 ATOM 357 O TARG 1 14.634 35.274 1.182 -1.050 3.553 ATOM 358 O TARG 1 20.154 35.274 1.182 -1.050 3.553 ATOM 359 O TARG 1 25.674 35.274 1.182 -1.050 3.553 ATOM 360 O TARG 1 31.194 35.274 1.182 -1.050 3.553 ATOM 361 O TARG 1 0.934 6.171 1.182 -1.050 3.553 ATOM 362 O TARG 1 6.454 6.171 1.182 -1.050 3.553 ATOM 363 O TARG 1 11.974 6.171 1.182 -1.050 3.553 ATOM 364 O TARG 1 17.494 6.171 1.182 -1.050 3.553 ATOM 365 O TARG 1 23.014 6.171 1.182 -1.050 3.553 ATOM 366 O TARG 1 28.534 6.171 1.182 -1.050 3.553 ATOM 367 O TARG 1 0.934 15.381 1.182 -1.050 3.553 ATOM 368 O TARG 1 6.454 15.381 1.182 -1.050 3.553 ATOM 369 O TARG 1 11.974 15.381 1.182 -1.050 3.553 ATOM 370 O TARG 1 17.494 15.381 1.182 -1.050 3.553 ATOM 371 O TARG 1 23.014 15.381 1.182 -1.050 3.553 ATOM 372 O TARG 1 28.534 15.381 1.182 -1.050 3.553 ATOM 373 O TARG 1 0.934 24.591 1.182 -1.050 3.553 ATOM 374 O TARG 1 6.454 24.591 1.182 -1.050 3.553 ATOM 375 O TARG 1 11.974 24.591 1.182 -1.050 3.553 ATOM 376 O TARG 1 17.494 24.591 1.182 -1.050 3.553 ATOM 377 O TARG 1 23.014 24.591 1.182 -1.050 3.553 ATOM 378 O TARG 1 28.534 24.591 1.182 -1.050 3.553 ATOM 379 O TARG 1 0.934 33.801 1.182 -1.050 3.553 ATOM 380 O TARG 1 6.454 33.801 1.182 -1.050 3.553 ATOM 381 O TARG 1 11.974 33.801 1.182 -1.050 3.553 ATOM 382 O TARG 1 17.494 33.801 1.182 -1.050 3.553 ATOM 383 O TARG 1 23.014 33.801 1.182 -1.050 3.553 ATOM 384 O TARG 1 28.534 33.801 1.182 -1.050 3.553 ATOM 385 O TARG 1 3.594 1.566 1.182 -1.050 3.553 ATOM 386 O TARG 1 9.114 1.566 1.182 -1.050 3.553 ATOM 387 O TARG 1 14.634 1.566 1.182 -1.050 3.553 ATOM 388 O TARG 1 20.154 1.566 1.182 -1.050 3.553 ATOM 389 O TARG 1 25.674 1.566 1.182 -1.050 3.553 ATOM 390 O TARG 1 31.194 1.566 1.182 -1.050 3.553 ATOM 391 O TARG 1 3.594 10.776 1.182 -1.050 3.553 ATOM 392 O TARG 1 9.114 10.776 1.182 -1.050 3.553 ATOM 393 O TARG 1 14.634 10.776 1.182 -1.050 3.553 ATOM 394 O TARG 1 20.154 10.776 1.182 -1.050 3.553 ATOM 395 O TARG 1 25.674 10.776 1.182 -1.050 3.553 ATOM 396 O TARG 1 31.194 10.776 1.182 -1.050 3.553 ATOM 397 O TARG 1 3.594 19.986 1.182 -1.050 3.553 ATOM 398 O TARG 1 9.114 19.986 1.182 -1.050 3.553 ATOM 399 O TARG 1 14.634 19.986 1.182 -1.050 3.553 ATOM 400 O TARG 1 20.154 19.986 1.182 -1.050 3.553 ATOM 401 O TARG 1 25.674 19.986 1.182 -1.050 3.553 ATOM 402 O TARG 1 31.194 19.986 1.182 -1.050 3.553 ATOM 403 O TARG 1 3.594 29.196 1.182 -1.050 3.553 ATOM 404 O TARG 1 9.114 29.196 1.182 -1.050 3.553 ATOM 405 O TARG 1 14.634 29.196 1.182 -1.050 3.553 ATOM 406 O TARG 1 20.154 29.196 1.182 -1.050 3.553 ATOM 407 O TARG 1 25.674 29.196 1.182 -1.050 3.553 ATOM 408 O TARG 1 31.194 29.196 1.182 -1.050 3.553 ATOM 409 O TARG 1 0.934 0.000 1.182 -0.950 3.553 ATOM 410 O TARG 1 6.454 0.000 1.182 -0.950 3.553 ATOM 411 O TARG 1 11.974 0.000 1.182 -0.950 3.553 ATOM 412 O TARG 1 17.494 0.000 1.182 -0.950 3.553 ATOM 413 O TARG 1 23.014 0.000 1.182 -0.950 3.553 ATOM 414 O TARG 1 28.534 0.000 1.182 -0.950 3.553 ATOM 415 O TARG 1 0.934 9.210 1.182 -0.950 3.553 ATOM 416 O TARG 1 6.454 9.210 1.182 -0.950 3.553 ATOM 417 O TARG 1 11.974 9.210 1.182 -0.950 3.553 ATOM 418 O TARG 1 17.494 9.210 1.182 -0.950 3.553 ATOM 419 O TARG 1 23.014 9.210 1.182 -0.950 3.553 ATOM 420 O TARG 1 28.534 9.210 1.182 -0.950 3.553 ATOM 421 O TARG 1 0.934 18.420 1.182 -0.950 3.553 ATOM 422 O TARG 1 6.454 18.420 1.182 -0.950 3.553 ATOM 423 O TARG 1 11.974 18.420 1.182 -0.950 3.553 ATOM 424 O TARG 1 17.494 18.420 1.182 -0.950 3.553 ATOM 425 O TARG 1 23.014 18.420 1.182 -0.950 3.553 ATOM 426 O TARG 1 28.534 18.420 1.182 -0.950 3.553 ATOM 427 O TARG 1 0.934 27.630 1.182 -0.950 3.553 ATOM 428 O TARG 1 6.454 27.630 1.182 -0.950 3.553 ATOM 429 O TARG 1 11.974 27.630 1.182 -0.950 3.553 ATOM 430 O TARG 1 17.494 27.630 1.182 -0.950 3.553 ATOM 431 O TARG 1 23.014 27.630 1.182 -0.950 3.553 ATOM 432 O TARG 1 28.534 27.630 1.182 -0.950 3.553 ATOM 433 O TARG 1 3.594 4.605 1.182 -0.950 3.553 ATOM 434 O TARG 1 9.114 4.605 1.182 -0.950 3.553 ATOM 435 O TARG 1 14.634 4.605 1.182 -0.950 3.553 ATOM 436 O TARG 1 20.154 4.605 1.182 -0.950 3.553 ATOM 437 O TARG 1 25.674 4.605 1.182 -0.950 3.553 ATOM 438 O TARG 1 31.194 4.605 1.182 -0.950 3.553 ATOM 439 O TARG 1 3.594 13.815 1.182 -0.950 3.553 ATOM 440 O TARG 1 9.114 13.815 1.182 -0.950 3.553 ATOM 441 O TARG 1 14.634 13.815 1.182 -0.950 3.553 ATOM 442 O TARG 1 20.154 13.815 1.182 -0.950 3.553 ATOM 443 O TARG 1 25.674 13.815 1.182 -0.950 3.553 ATOM 444 O TARG 1 31.194 13.815 1.182 -0.950 3.553 ATOM 445 O TARG 1 3.594 23.025 1.182 -0.950 3.553 ATOM 446 O TARG 1 9.114 23.025 1.182 -0.950 3.553 ATOM 447 O TARG 1 14.634 23.025 1.182 -0.950 3.553 ATOM 448 O TARG 1 20.154 23.025 1.182 -0.950 3.553 ATOM 449 O TARG 1 25.674 23.025 1.182 -0.950 3.553 ATOM 450 O TARG 1 31.194 23.025 1.182 -0.950 3.553 ATOM 451 O TARG 1 3.594 32.235 1.182 -0.950 3.553 ATOM 452 O TARG 1 9.114 32.235 1.182 -0.950 3.553 ATOM 453 O TARG 1 14.634 32.235 1.182 -0.950 3.553 ATOM 454 O TARG 1 20.154 32.235 1.182 -0.950 3.553 ATOM 455 O TARG 1 25.674 32.235 1.182 -0.950 3.553 ATOM 456 O TARG 1 31.194 32.235 1.182 -0.950 3.553 ATOM 457 H TARG 1 0.934 0.000 2.167 0.425 0.000 ATOM 458 H TARG 1 6.454 0.000 2.167 0.425 0.000 ATOM 459 H TARG 1 11.974 0.000 2.167 0.425 0.000 ATOM 460 H TARG 1 17.494 0.000 2.167 0.425 0.000 ATOM 461 H TARG 1 23.014 0.000 2.167 0.425 0.000 ATOM 462 H TARG 1 28.534 0.000 2.167 0.425 0.000 ATOM 463 H TARG 1 0.934 9.210 2.167 0.425 0.000 ATOM 464 H TARG 1 6.454 9.210 2.167 0.425 0.000 ATOM 465 H TARG 1 11.974 9.210 2.167 0.425 0.000 ATOM 466 H TARG 1 17.494 9.210 2.167 0.425 0.000 ATOM 467 H TARG 1 23.014 9.210 2.167 0.425 0.000 ATOM 468 H TARG 1 28.534 9.210 2.167 0.425 0.000 ATOM 469 H TARG 1 0.934 18.420 2.167 0.425 0.000 ATOM 470 H TARG 1 6.454 18.420 2.167 0.425 0.000 ATOM 471 H TARG 1 11.974 18.420 2.167 0.425 0.000 ATOM 472 H TARG 1 17.494 18.420 2.167 0.425 0.000 ATOM 473 H TARG 1 23.014 18.420 2.167 0.425 0.000 ATOM 474 H TARG 1 28.534 18.420 2.167 0.425 0.000 ATOM 475 H TARG 1 0.934 27.630 2.167 0.425 0.000 ATOM 476 H TARG 1 6.454 27.630 2.167 0.425 0.000 ATOM 477 H TARG 1 11.974 27.630 2.167 0.425 0.000 ATOM 478 H TARG 1 17.494 27.630 2.167 0.425 0.000 ATOM 479 H TARG 1 23.014 27.630 2.167 0.425 0.000 ATOM 480 H TARG 1 28.534 27.630 2.167 0.425 0.000 ATOM 481 H TARG 1 3.594 4.605 2.167 0.425 0.000 ATOM 482 H TARG 1 9.114 4.605 2.167 0.425 0.000 ATOM 483 H TARG 1 14.634 4.605 2.167 0.425 0.000 ATOM 484 H TARG 1 20.154 4.605 2.167 0.425 0.000 ATOM 485 H TARG 1 25.674 4.605 2.167 0.425 0.000 ATOM 486 H TARG 1 31.194 4.605 2.167 0.425 0.000 ATOM 487 H TARG 1 3.594 13.815 2.167 0.425 0.000 ATOM 488 H TARG 1 9.114 13.815 2.167 0.425 0.000 ATOM 489 H TARG 1 14.634 13.815 2.167 0.425 0.000 ATOM 490 H TARG 1 20.154 13.815 2.167 0.425 0.000 ATOM 491 H TARG 1 25.674 13.815 2.167 0.425 0.000 ATOM 492 H TARG 1 31.194 13.815 2.167 0.425 0.000 ATOM 493 H TARG 1 3.594 23.025 2.167 0.425 0.000 ATOM 494 H TARG 1 9.114 23.025 2.167 0.425 0.000 ATOM 495 H TARG 1 14.634 23.025 2.167 0.425 0.000 ATOM 496 H TARG 1 20.154 23.025 2.167 0.425 0.000 ATOM 497 H TARG 1 25.674 23.025 2.167 0.425 0.000 ATOM 498 H TARG 1 31.194 23.025 2.167 0.425 0.000 ATOM 499 H TARG 1 3.594 32.235 2.167 0.425 0.000 ATOM 500 H TARG 1 9.114 32.235 2.167 0.425 0.000 ATOM 501 H TARG 1 14.634 32.235 2.167 0.425 0.000 ATOM 502 H TARG 1 20.154 32.235 2.167 0.425 0.000 ATOM 503 H TARG 1 25.674 32.235 2.167 0.425 0.000 ATOM 504 H TARG 1 31.194 32.235 2.167 0.425 0.000 ATOM 505 Mg TARG 1 -0.822 0.000 0.000 1.050 5.909 ATOM 506 Mg TARG 1 4.698 0.000 0.000 1.050 5.909 ATOM 507 Mg TARG 1 10.218 0.000 0.000 1.050 5.909 ATOM 508 Mg TARG 1 15.738 0.000 0.000 1.050 5.909 ATOM 509 Mg TARG 1 21.258 0.000 0.000 1.050 5.909 ATOM 510 Mg TARG 1 26.778 0.000 0.000 1.050 5.909 ATOM 511 Mg TARG 1 -0.822 9.210 0.000 1.050 5.909 ATOM 512 Mg TARG 1 4.698 9.210 0.000 1.050 5.909 ATOM 513 Mg TARG 1 10.218 9.210 0.000 1.050 5.909 ATOM 514 Mg TARG 1 15.738 9.210 0.000 1.050 5.909 ATOM 515 Mg TARG 1 21.258 9.210 0.000 1.050 5.909 ATOM 516 Mg TARG 1 26.778 9.210 0.000 1.050 5.909 ATOM 517 Mg TARG 1 -0.822 18.420 0.000 1.050 5.909 ATOM 518 Mg TARG 1 4.698 18.420 0.000 1.050 5.909 ATOM 519 Mg TARG 1 10.218 18.420 0.000 1.050 5.909 ATOM 520 Mg TARG 1 15.738 18.420 0.000 1.050 5.909 ATOM 521 Mg TARG 1 21.258 18.420 0.000 1.050 5.909 ATOM 522 Mg TARG 1 26.778 18.420 0.000 1.050 5.909 ATOM 523 Mg TARG 1 -0.822 27.630 0.000 1.050 5.909 ATOM 524 Mg TARG 1 4.698 27.630 0.000 1.050 5.909 ATOM 525 Mg TARG 1 10.218 27.630 0.000 1.050 5.909 ATOM 526 Mg TARG 1 15.738 27.630 0.000 1.050 5.909 ATOM 527 Mg TARG 1 21.258 27.630 0.000 1.050 5.909 ATOM 528 Mg TARG 1 26.778 27.630 0.000 1.050 5.909 ATOM 529 Mg TARG 1 1.838 4.605 0.000 1.050 5.909 ATOM 530 Mg TARG 1 7.358 4.605 0.000 1.050 5.909 ATOM 531 Mg TARG 1 12.878 4.605 0.000 1.050 5.909 ATOM 532 Mg TARG 1 18.398 4.605 0.000 1.050 5.909 ATOM 533 Mg TARG 1 23.918 4.605 0.000 1.050 5.909 ATOM 534 Mg TARG 1 29.438 4.605 0.000 1.050 5.909 ATOM 535 Mg TARG 1 1.838 13.815 0.000 1.050 5.909 ATOM 536 Mg TARG 1 7.358 13.815 0.000 1.050 5.909 ATOM 537 Mg TARG 1 12.878 13.815 0.000 1.050 5.909 ATOM 538 Mg TARG 1 18.398 13.815 0.000 1.050 5.909 ATOM 539 Mg TARG 1 23.918 13.815 0.000 1.050 5.909 ATOM 540 Mg TARG 1 29.438 13.815 0.000 1.050 5.909 ATOM 541 Mg TARG 1 1.838 23.025 0.000 1.050 5.909 ATOM 542 Mg TARG 1 7.358 23.025 0.000 1.050 5.909 ATOM 543 Mg TARG 1 12.878 23.025 0.000 1.050 5.909 ATOM 544 Mg TARG 1 18.398 23.025 0.000 1.050 5.909 ATOM 545 Mg TARG 1 23.918 23.025 0.000 1.050 5.909 ATOM 546 Mg TARG 1 29.438 23.025 0.000 1.050 5.909 ATOM 547 Mg TARG 1 1.838 32.235 0.000 1.050 5.909 ATOM 548 Mg TARG 1 7.358 32.235 0.000 1.050 5.909 ATOM 549 Mg TARG 1 12.878 32.235 0.000 1.050 5.909 ATOM 550 Mg TARG 1 18.398 32.235 0.000 1.050 5.909 ATOM 551 Mg TARG 1 23.918 32.235 0.000 1.050 5.909 ATOM 552 Mg TARG 1 29.438 32.235 0.000 1.050 5.909 ATOM 553 Mg TARG 1 -0.822 6.171 0.000 1.050 5.909 ATOM 554 Mg TARG 1 4.698 6.171 0.000 1.050 5.909 ATOM 555 Mg TARG 1 10.218 6.171 0.000 1.050 5.909 ATOM 556 Mg TARG 1 15.738 6.171 0.000 1.050 5.909 ATOM 557 Mg TARG 1 21.258 6.171 0.000 1.050 5.909 ATOM 558 Mg TARG 1 26.778 6.171 0.000 1.050 5.909 ATOM 559 Mg TARG 1 -0.822 15.381 0.000 1.050 5.909 ATOM 560 Mg TARG 1 4.698 15.381 0.000 1.050 5.909 ATOM 561 Mg TARG 1 10.218 15.381 0.000 1.050 5.909 ATOM 562 Mg TARG 1 15.738 15.381 0.000 1.050 5.909 ATOM 563 Mg TARG 1 21.258 15.381 0.000 1.050 5.909 ATOM 564 Mg TARG 1 26.778 15.381 0.000 1.050 5.909 ATOM 565 Mg TARG 1 -0.822 24.591 0.000 1.050 5.909 ATOM 566 Mg TARG 1 4.698 24.591 0.000 1.050 5.909 ATOM 567 Mg TARG 1 10.218 24.591 0.000 1.050 5.909 ATOM 568 Mg TARG 1 15.738 24.591 0.000 1.050 5.909 ATOM 569 Mg TARG 1 21.258 24.591 0.000 1.050 5.909 ATOM 570 Mg TARG 1 26.778 24.591 0.000 1.050 5.909 ATOM 571 Mg TARG 1 -0.822 33.801 0.000 1.050 5.909 ATOM 572 Mg TARG 1 4.698 33.801 0.000 1.050 5.909 ATOM 573 Mg TARG 1 10.218 33.801 0.000 1.050 5.909 ATOM 574 Mg TARG 1 15.738 33.801 0.000 1.050 5.909 ATOM 575 Mg TARG 1 21.258 33.801 0.000 1.050 5.909 ATOM 576 Mg TARG 1 26.778 33.801 0.000 1.050 5.909 ATOM 577 Si TARG 1 2.733 3.039 -2.759 2.100 3.706 ATOM 578 Si TARG 1 8.253 3.039 -2.759 2.100 3.706 ATOM 579 Si TARG 1 13.773 3.039 -2.759 2.100 3.706 ATOM 580 Si TARG 1 19.293 3.039 -2.759 2.100 3.706 ATOM 581 Si TARG 1 24.813 3.039 -2.759 2.100 3.706 ATOM 582 Si TARG 1 30.333 3.039 -2.759 2.100 3.706 ATOM 583 Si TARG 1 2.733 12.249 -2.759 2.100 3.706 ATOM 584 Si TARG 1 8.253 12.249 -2.759 2.100 3.706 ATOM 585 Si TARG 1 13.773 12.249 -2.759 2.100 3.706 ATOM 586 Si TARG 1 19.293 12.249 -2.759 2.100 3.706 ATOM 587 Si TARG 1 24.813 12.249 -2.759 2.100 3.706 ATOM 588 Si TARG 1 30.333 12.249 -2.759 2.100 3.706 ATOM 589 Si TARG 1 2.733 21.459 -2.759 2.100 3.706 ATOM 590 Si TARG 1 8.253 21.459 -2.759 2.100 3.706 ATOM 591 Si TARG 1 13.773 21.459 -2.759 2.100 3.706 ATOM 592 Si TARG 1 19.293 21.459 -2.759 2.100 3.706 ATOM 593 Si TARG 1 24.813 21.459 -2.759 2.100 3.706 ATOM 594 Si TARG 1 30.333 21.459 -2.759 2.100 3.706 ATOM 595 Si TARG 1 2.733 30.669 -2.759 2.100 3.706 ATOM 596 Si TARG 1 8.253 30.669 -2.759 2.100 3.706 ATOM 597 Si TARG 1 13.773 30.669 -2.759 2.100 3.706 ATOM 598 Si TARG 1 19.293 30.669 -2.759 2.100 3.706 ATOM 599 Si TARG 1 24.813 30.669 -2.759 2.100 3.706 ATOM 600 Si TARG 1 30.333 30.669 -2.759 2.100 3.706 ATOM 601 Si TARG 1 0.073 7.644 -2.759 2.100 3.706 ATOM 602 Si TARG 1 5.593 7.644 -2.759 2.100 3.706 ATOM 603 Si TARG 1 11.113 7.644 -2.759 2.100 3.706 ATOM 604 Si TARG 1 16.633 7.644 -2.759 2.100 3.706 ATOM 605 Si TARG 1 22.153 7.644 -2.759 2.100 3.706 ATOM 606 Si TARG 1 27.673 7.644 -2.759 2.100 3.706 ATOM 607 Si TARG 1 0.073 16.854 -2.759 2.100 3.706 ATOM 608 Si TARG 1 5.593 16.854 -2.759 2.100 3.706 ATOM 609 Si TARG 1 11.113 16.854 -2.759 2.100 3.706 ATOM 610 Si TARG 1 16.633 16.854 -2.759 2.100 3.706 ATOM 611 Si TARG 1 22.153 16.854 -2.759 2.100 3.706 ATOM 612 Si TARG 1 27.673 16.854 -2.759 2.100 3.706 ATOM 613 Si TARG 1 0.073 26.064 -2.759 2.100 3.706 ATOM 614 Si TARG 1 5.593 26.064 -2.759 2.100 3.706 ATOM 615 Si TARG 1 11.113 26.064 -2.759 2.100 3.706 ATOM 616 Si TARG 1 16.633 26.064 -2.759 2.100 3.706 ATOM 617 Si TARG 1 22.153 26.064 -2.759 2.100 3.706 ATOM 618 Si TARG 1 27.673 26.064 -2.759 2.100 3.706 ATOM 619 Si TARG 1 0.073 35.274 -2.759 2.100 3.706 ATOM 620 Si TARG 1 5.593 35.274 -2.759 2.100 3.706 ATOM 621 Si TARG 1 11.113 35.274 -2.759 2.100 3.706 ATOM 622 Si TARG 1 16.633 35.274 -2.759 2.100 3.706 ATOM 623 Si TARG 1 22.153 35.274 -2.759 2.100 3.706 ATOM 624 Si TARG 1 27.673 35.274 -2.759 2.100 3.706 ATOM 625 Si TARG 1 2.733 6.171 -2.759 2.100 3.706 ATOM 626 Si TARG 1 8.253 6.171 -2.759 2.100 3.706 ATOM 627 Si TARG 1 13.773 6.171 -2.759 2.100 3.706 ATOM 628 Si TARG 1 19.293 6.171 -2.759 2.100 3.706 ATOM 629 Si TARG 1 24.813 6.171 -2.759 2.100 3.706 ATOM 630 Si TARG 1 30.333 6.171 -2.759 2.100 3.706 ATOM 631 Si TARG 1 2.733 15.381 -2.759 2.100 3.706 ATOM 632 Si TARG 1 8.253 15.381 -2.759 2.100 3.706 ATOM 633 Si TARG 1 13.773 15.381 -2.759 2.100 3.706 ATOM 634 Si TARG 1 19.293 15.381 -2.759 2.100 3.706 ATOM 635 Si TARG 1 24.813 15.381 -2.759 2.100 3.706 ATOM 636 Si TARG 1 30.333 15.381 -2.759 2.100 3.706 ATOM 637 Si TARG 1 2.733 24.591 -2.759 2.100 3.706 ATOM 638 Si TARG 1 8.253 24.591 -2.759 2.100 3.706 ATOM 639 Si TARG 1 13.773 24.591 -2.759 2.100 3.706 ATOM 640 Si TARG 1 19.293 24.591 -2.759 2.100 3.706 ATOM 641 Si TARG 1 24.813 24.591 -2.759 2.100 3.706 ATOM 642 Si TARG 1 30.333 24.591 -2.759 2.100 3.706 ATOM 643 Si TARG 1 2.733 33.801 -2.759 2.100 3.706 ATOM 644 Si TARG 1 8.253 33.801 -2.759 2.100 3.706 ATOM 645 Si TARG 1 13.773 33.801 -2.759 2.100 3.706 ATOM 646 Si TARG 1 19.293 33.801 -2.759 2.100 3.706 ATOM 647 Si TARG 1 24.813 33.801 -2.759 2.100 3.706 ATOM 648 Si TARG 1 30.333 33.801 -2.759 2.100 3.706 ATOM 649 Si TARG 1 0.073 1.566 -2.759 2.100 3.706 ATOM 650 Si TARG 1 5.593 1.566 -2.759 2.100 3.706 ATOM 651 Si TARG 1 11.113 1.566 -2.759 2.100 3.706 ATOM 652 Si TARG 1 16.633 1.566 -2.759 2.100 3.706 ATOM 653 Si TARG 1 22.153 1.566 -2.759 2.100 3.706 ATOM 654 Si TARG 1 27.673 1.566 -2.759 2.100 3.706 ATOM 655 Si TARG 1 0.073 10.776 -2.759 2.100 3.706 ATOM 656 Si TARG 1 5.593 10.776 -2.759 2.100 3.706 ATOM 657 Si TARG 1 11.113 10.776 -2.759 2.100 3.706 ATOM 658 Si TARG 1 16.633 10.776 -2.759 2.100 3.706 ATOM 659 Si TARG 1 22.153 10.776 -2.759 2.100 3.706 ATOM 660 Si TARG 1 27.673 10.776 -2.759 2.100 3.706 ATOM 661 Si TARG 1 0.073 19.986 -2.759 2.100 3.706 ATOM 662 Si TARG 1 5.593 19.986 -2.759 2.100 3.706 ATOM 663 Si TARG 1 11.113 19.986 -2.759 2.100 3.706 ATOM 664 Si TARG 1 16.633 19.986 -2.759 2.100 3.706 ATOM 665 Si TARG 1 22.153 19.986 -2.759 2.100 3.706 ATOM 666 Si TARG 1 27.673 19.986 -2.759 2.100 3.706 ATOM 667 Si TARG 1 0.073 29.196 -2.759 2.100 3.706 ATOM 668 Si TARG 1 5.593 29.196 -2.759 2.100 3.706 ATOM 669 Si TARG 1 11.113 29.196 -2.759 2.100 3.706 ATOM 670 Si TARG 1 16.633 29.196 -2.759 2.100 3.706 ATOM 671 Si TARG 1 22.153 29.196 -2.759 2.100 3.706 ATOM 672 Si TARG 1 27.673 29.196 -2.759 2.100 3.706 ATOM 673 O TARG 1 0.073 0.000 -3.350 -1.050 3.553 ATOM 674 O TARG 1 5.593 0.000 -3.350 -1.050 3.553 ATOM 675 O TARG 1 11.113 0.000 -3.350 -1.050 3.553 ATOM 676 O TARG 1 16.633 0.000 -3.350 -1.050 3.553 ATOM 677 O TARG 1 22.153 0.000 -3.350 -1.050 3.553 ATOM 678 O TARG 1 27.673 0.000 -3.350 -1.050 3.553 ATOM 679 O TARG 1 0.073 9.210 -3.350 -1.050 3.553 ATOM 680 O TARG 1 5.593 9.210 -3.350 -1.050 3.553 ATOM 681 O TARG 1 11.113 9.210 -3.350 -1.050 3.553 ATOM 682 O TARG 1 16.633 9.210 -3.350 -1.050 3.553 ATOM 683 O TARG 1 22.153 9.210 -3.350 -1.050 3.553 ATOM 684 O TARG 1 27.673 9.210 -3.350 -1.050 3.553 ATOM 685 O TARG 1 0.073 18.420 -3.350 -1.050 3.553 ATOM 686 O TARG 1 5.593 18.420 -3.350 -1.050 3.553 ATOM 687 O TARG 1 11.113 18.420 -3.350 -1.050 3.553 ATOM 688 O TARG 1 16.633 18.420 -3.350 -1.050 3.553 ATOM 689 O TARG 1 22.153 18.420 -3.350 -1.050 3.553 ATOM 690 O TARG 1 27.673 18.420 -3.350 -1.050 3.553 ATOM 691 O TARG 1 0.073 27.630 -3.350 -1.050 3.553 ATOM 692 O TARG 1 5.593 27.630 -3.350 -1.050 3.553 ATOM 693 O TARG 1 11.113 27.630 -3.350 -1.050 3.553 ATOM 694 O TARG 1 16.633 27.630 -3.350 -1.050 3.553 ATOM 695 O TARG 1 22.153 27.630 -3.350 -1.050 3.553 ATOM 696 O TARG 1 27.673 27.630 -3.350 -1.050 3.553 ATOM 697 O TARG 1 2.733 4.605 -3.350 -1.050 3.553 ATOM 698 O TARG 1 8.253 4.605 -3.350 -1.050 3.553 ATOM 699 O TARG 1 13.773 4.605 -3.350 -1.050 3.553 ATOM 700 O TARG 1 19.293 4.605 -3.350 -1.050 3.553 ATOM 701 O TARG 1 24.813 4.605 -3.350 -1.050 3.553 ATOM 702 O TARG 1 30.333 4.605 -3.350 -1.050 3.553 ATOM 703 O TARG 1 2.733 13.815 -3.350 -1.050 3.553 ATOM 704 O TARG 1 8.253 13.815 -3.350 -1.050 3.553 ATOM 705 O TARG 1 13.773 13.815 -3.350 -1.050 3.553 ATOM 706 O TARG 1 19.293 13.815 -3.350 -1.050 3.553 ATOM 707 O TARG 1 24.813 13.815 -3.350 -1.050 3.553 ATOM 708 O TARG 1 30.333 13.815 -3.350 -1.050 3.553 ATOM 709 O TARG 1 2.733 23.025 -3.350 -1.050 3.553 ATOM 710 O TARG 1 8.253 23.025 -3.350 -1.050 3.553 ATOM 711 O TARG 1 13.773 23.025 -3.350 -1.050 3.553 ATOM 712 O TARG 1 19.293 23.025 -3.350 -1.050 3.553 ATOM 713 O TARG 1 24.813 23.025 -3.350 -1.050 3.553 ATOM 714 O TARG 1 30.333 23.025 -3.350 -1.050 3.553 ATOM 715 O TARG 1 2.733 32.235 -3.350 -1.050 3.553 ATOM 716 O TARG 1 8.253 32.235 -3.350 -1.050 3.553 ATOM 717 O TARG 1 13.773 32.235 -3.350 -1.050 3.553 ATOM 718 O TARG 1 19.293 32.235 -3.350 -1.050 3.553 ATOM 719 O TARG 1 24.813 32.235 -3.350 -1.050 3.553 ATOM 720 O TARG 1 30.333 32.235 -3.350 -1.050 3.553 ATOM 721 O TARG 1 4.063 2.303 -3.350 -1.050 3.553 ATOM 722 O TARG 1 9.583 2.303 -3.350 -1.050 3.553 ATOM 723 O TARG 1 15.103 2.303 -3.350 -1.050 3.553 ATOM 724 O TARG 1 20.623 2.303 -3.350 -1.050 3.553 ATOM 725 O TARG 1 26.143 2.303 -3.350 -1.050 3.553 ATOM 726 O TARG 1 31.663 2.303 -3.350 -1.050 3.553 ATOM 727 O TARG 1 4.063 11.513 -3.350 -1.050 3.553 ATOM 728 O TARG 1 9.583 11.513 -3.350 -1.050 3.553 ATOM 729 O TARG 1 15.103 11.513 -3.350 -1.050 3.553 ATOM 730 O TARG 1 20.623 11.513 -3.350 -1.050 3.553 ATOM 731 O TARG 1 26.143 11.513 -3.350 -1.050 3.553 ATOM 732 O TARG 1 31.663 11.513 -3.350 -1.050 3.553 ATOM 733 O TARG 1 4.063 20.723 -3.350 -1.050 3.553 ATOM 734 O TARG 1 9.583 20.723 -3.350 -1.050 3.553 ATOM 735 O TARG 1 15.103 20.723 -3.350 -1.050 3.553 ATOM 736 O TARG 1 20.623 20.723 -3.350 -1.050 3.553 ATOM 737 O TARG 1 26.143 20.723 -3.350 -1.050 3.553 ATOM 738 O TARG 1 31.663 20.723 -3.350 -1.050 3.553 ATOM 739 O TARG 1 4.063 29.933 -3.350 -1.050 3.553 ATOM 740 O TARG 1 9.583 29.933 -3.350 -1.050 3.553 ATOM 741 O TARG 1 15.103 29.933 -3.350 -1.050 3.553 ATOM 742 O TARG 1 20.623 29.933 -3.350 -1.050 3.553 ATOM 743 O TARG 1 26.143 29.933 -3.350 -1.050 3.553 ATOM 744 O TARG 1 31.663 29.933 -3.350 -1.050 3.553 ATOM 745 O TARG 1 1.403 6.908 -3.350 -1.050 3.553 ATOM 746 O TARG 1 6.923 6.908 -3.350 -1.050 3.553 ATOM 747 O TARG 1 12.443 6.908 -3.350 -1.050 3.553 ATOM 748 O TARG 1 17.963 6.908 -3.350 -1.050 3.553 ATOM 749 O TARG 1 23.483 6.908 -3.350 -1.050 3.553 ATOM 750 O TARG 1 29.003 6.908 -3.350 -1.050 3.553 ATOM 751 O TARG 1 1.403 16.118 -3.350 -1.050 3.553 ATOM 752 O TARG 1 6.923 16.118 -3.350 -1.050 3.553 ATOM 753 O TARG 1 12.443 16.118 -3.350 -1.050 3.553 ATOM 754 O TARG 1 17.963 16.118 -3.350 -1.050 3.553 ATOM 755 O TARG 1 23.483 16.118 -3.350 -1.050 3.553 ATOM 756 O TARG 1 29.003 16.118 -3.350 -1.050 3.553 ATOM 757 O TARG 1 1.403 25.328 -3.350 -1.050 3.553 ATOM 758 O TARG 1 6.923 25.328 -3.350 -1.050 3.553 ATOM 759 O TARG 1 12.443 25.328 -3.350 -1.050 3.553 ATOM 760 O TARG 1 17.963 25.328 -3.350 -1.050 3.553 ATOM 761 O TARG 1 23.483 25.328 -3.350 -1.050 3.553 ATOM 762 O TARG 1 29.003 25.328 -3.350 -1.050 3.553 ATOM 763 O TARG 1 1.403 34.538 -3.350 -1.050 3.553 ATOM 764 O TARG 1 6.923 34.538 -3.350 -1.050 3.553 ATOM 765 O TARG 1 12.443 34.538 -3.350 -1.050 3.553 ATOM 766 O TARG 1 17.963 34.538 -3.350 -1.050 3.553 ATOM 767 O TARG 1 23.483 34.538 -3.350 -1.050 3.553 ATOM 768 O TARG 1 29.003 34.538 -3.350 -1.050 3.553 ATOM 769 O TARG 1 4.063 6.908 -3.350 -1.050 3.553 ATOM 770 O TARG 1 9.583 6.908 -3.350 -1.050 3.553 ATOM 771 O TARG 1 15.103 6.908 -3.350 -1.050 3.553 ATOM 772 O TARG 1 20.623 6.908 -3.350 -1.050 3.553 ATOM 773 O TARG 1 26.143 6.908 -3.350 -1.050 3.553 ATOM 774 O TARG 1 31.663 6.908 -3.350 -1.050 3.553 ATOM 775 O TARG 1 4.063 16.118 -3.350 -1.050 3.553 ATOM 776 O TARG 1 9.583 16.118 -3.350 -1.050 3.553 ATOM 777 O TARG 1 15.103 16.118 -3.350 -1.050 3.553 ATOM 778 O TARG 1 20.623 16.118 -3.350 -1.050 3.553 ATOM 779 O TARG 1 26.143 16.118 -3.350 -1.050 3.553 ATOM 780 O TARG 1 31.663 16.118 -3.350 -1.050 3.553 ATOM 781 O TARG 1 4.063 25.328 -3.350 -1.050 3.553 ATOM 782 O TARG 1 9.583 25.328 -3.350 -1.050 3.553 ATOM 783 O TARG 1 15.103 25.328 -3.350 -1.050 3.553 ATOM 784 O TARG 1 20.623 25.328 -3.350 -1.050 3.553 ATOM 785 O TARG 1 26.143 25.328 -3.350 -1.050 3.553 ATOM 786 O TARG 1 31.663 25.328 -3.350 -1.050 3.553 ATOM 787 O TARG 1 4.063 34.538 -3.350 -1.050 3.553 ATOM 788 O TARG 1 9.583 34.538 -3.350 -1.050 3.553 ATOM 789 O TARG 1 15.103 34.538 -3.350 -1.050 3.553 ATOM 790 O TARG 1 20.623 34.538 -3.350 -1.050 3.553 ATOM 791 O TARG 1 26.143 34.538 -3.350 -1.050 3.553 ATOM 792 O TARG 1 31.663 34.538 -3.350 -1.050 3.553 ATOM 793 O TARG 1 1.403 2.303 -3.350 -1.050 3.553 ATOM 794 O TARG 1 6.923 2.303 -3.350 -1.050 3.553 ATOM 795 O TARG 1 12.443 2.303 -3.350 -1.050 3.553 ATOM 796 O TARG 1 17.963 2.303 -3.350 -1.050 3.553 ATOM 797 O TARG 1 23.483 2.303 -3.350 -1.050 3.553 ATOM 798 O TARG 1 29.003 2.303 -3.350 -1.050 3.553 ATOM 799 O TARG 1 1.403 11.513 -3.350 -1.050 3.553 ATOM 800 O TARG 1 6.923 11.513 -3.350 -1.050 3.553 ATOM 801 O TARG 1 12.443 11.513 -3.350 -1.050 3.553 ATOM 802 O TARG 1 17.963 11.513 -3.350 -1.050 3.553 ATOM 803 O TARG 1 23.483 11.513 -3.350 -1.050 3.553 ATOM 804 O TARG 1 29.003 11.513 -3.350 -1.050 3.553 ATOM 805 O TARG 1 1.403 20.723 -3.350 -1.050 3.553 ATOM 806 O TARG 1 6.923 20.723 -3.350 -1.050 3.553 ATOM 807 O TARG 1 12.443 20.723 -3.350 -1.050 3.553 ATOM 808 O TARG 1 17.963 20.723 -3.350 -1.050 3.553 ATOM 809 O TARG 1 23.483 20.723 -3.350 -1.050 3.553 ATOM 810 O TARG 1 29.003 20.723 -3.350 -1.050 3.553 ATOM 811 O TARG 1 1.403 29.933 -3.350 -1.050 3.553 ATOM 812 O TARG 1 6.923 29.933 -3.350 -1.050 3.553 ATOM 813 O TARG 1 12.443 29.933 -3.350 -1.050 3.553 ATOM 814 O TARG 1 17.963 29.933 -3.350 -1.050 3.553 ATOM 815 O TARG 1 23.483 29.933 -3.350 -1.050 3.553 ATOM 816 O TARG 1 29.003 29.933 -3.350 -1.050 3.553 ATOM 817 O TARG 1 2.742 3.039 -1.183 -1.050 3.553 ATOM 818 O TARG 1 8.262 3.039 -1.183 -1.050 3.553 ATOM 819 O TARG 1 13.782 3.039 -1.183 -1.050 3.553 ATOM 820 O TARG 1 19.302 3.039 -1.183 -1.050 3.553 ATOM 821 O TARG 1 24.822 3.039 -1.183 -1.050 3.553 ATOM 822 O TARG 1 30.342 3.039 -1.183 -1.050 3.553 ATOM 823 O TARG 1 2.742 12.249 -1.183 -1.050 3.553 ATOM 824 O TARG 1 8.262 12.249 -1.183 -1.050 3.553 ATOM 825 O TARG 1 13.782 12.249 -1.183 -1.050 3.553 ATOM 826 O TARG 1 19.302 12.249 -1.183 -1.050 3.553 ATOM 827 O TARG 1 24.822 12.249 -1.183 -1.050 3.553 ATOM 828 O TARG 1 30.342 12.249 -1.183 -1.050 3.553 ATOM 829 O TARG 1 2.742 21.459 -1.183 -1.050 3.553 ATOM 830 O TARG 1 8.262 21.459 -1.183 -1.050 3.553 ATOM 831 O TARG 1 13.782 21.459 -1.183 -1.050 3.553 ATOM 832 O TARG 1 19.302 21.459 -1.183 -1.050 3.553 ATOM 833 O TARG 1 24.822 21.459 -1.183 -1.050 3.553 ATOM 834 O TARG 1 30.342 21.459 -1.183 -1.050 3.553 ATOM 835 O TARG 1 2.742 30.669 -1.183 -1.050 3.553 ATOM 836 O TARG 1 8.262 30.669 -1.183 -1.050 3.553 ATOM 837 O TARG 1 13.782 30.669 -1.183 -1.050 3.553 ATOM 838 O TARG 1 19.302 30.669 -1.183 -1.050 3.553 ATOM 839 O TARG 1 24.822 30.669 -1.183 -1.050 3.553 ATOM 840 O TARG 1 30.342 30.669 -1.183 -1.050 3.553 ATOM 841 O TARG 1 0.082 7.644 -1.183 -1.050 3.553 ATOM 842 O TARG 1 5.602 7.644 -1.183 -1.050 3.553 ATOM 843 O TARG 1 11.122 7.644 -1.183 -1.050 3.553 ATOM 844 O TARG 1 16.642 7.644 -1.183 -1.050 3.553 ATOM 845 O TARG 1 22.162 7.644 -1.183 -1.050 3.553 ATOM 846 O TARG 1 27.682 7.644 -1.183 -1.050 3.553 ATOM 847 O TARG 1 0.082 16.854 -1.183 -1.050 3.553 ATOM 848 O TARG 1 5.602 16.854 -1.183 -1.050 3.553 ATOM 849 O TARG 1 11.122 16.854 -1.183 -1.050 3.553 ATOM 850 O TARG 1 16.642 16.854 -1.183 -1.050 3.553 ATOM 851 O TARG 1 22.162 16.854 -1.183 -1.050 3.553 ATOM 852 O TARG 1 27.682 16.854 -1.183 -1.050 3.553 ATOM 853 O TARG 1 0.082 26.064 -1.183 -1.050 3.553 ATOM 854 O TARG 1 5.602 26.064 -1.183 -1.050 3.553 ATOM 855 O TARG 1 11.122 26.064 -1.183 -1.050 3.553 ATOM 856 O TARG 1 16.642 26.064 -1.183 -1.050 3.553 ATOM 857 O TARG 1 22.162 26.064 -1.183 -1.050 3.553 ATOM 858 O TARG 1 27.682 26.064 -1.183 -1.050 3.553 ATOM 859 O TARG 1 0.082 35.274 -1.183 -1.050 3.553 ATOM 860 O TARG 1 5.602 35.274 -1.183 -1.050 3.553 ATOM 861 O TARG 1 11.122 35.274 -1.183 -1.050 3.553 ATOM 862 O TARG 1 16.642 35.274 -1.183 -1.050 3.553 ATOM 863 O TARG 1 22.162 35.274 -1.183 -1.050 3.553 ATOM 864 O TARG 1 27.682 35.274 -1.183 -1.050 3.553 ATOM 865 O TARG 1 2.742 6.171 -1.183 -1.050 3.553 ATOM 866 O TARG 1 8.262 6.171 -1.183 -1.050 3.553 ATOM 867 O TARG 1 13.782 6.171 -1.183 -1.050 3.553 ATOM 868 O TARG 1 19.302 6.171 -1.183 -1.050 3.553 ATOM 869 O TARG 1 24.822 6.171 -1.183 -1.050 3.553 ATOM 870 O TARG 1 30.342 6.171 -1.183 -1.050 3... [truncated message content] |
From: Baker, N. <Nat...@pn...> - 2010-08-20 00:12:05
|
Hi Eric -- Could you send an image to illustrate the problem? Thanks, __________________________________________________ Nathan Baker Chief Scientist for Signature Science Pacific Northwest National Laboratory > -----Original Message----- > From: Eric Ferrage [mailto:eri...@un...] > Sent: Thursday, August 19, 2010 8:41 AM > To: apb...@li... > Subject: [Apbs-users] Problem when calculating isocontour surface of a mineral > > Hi, > I am trying to represent an isocontour volume of a layered mineral. I > modified a pqr file to enter the coordinates, radius and atomic charges > of all atoms (see below). The structure is displayed with 1008 atoms, > the total charge is neutral. Although this seems okay when I display the > structure under VMD as CPK model, the isocontour surface calculated is > weird, like cutting the structure in two along a diagonal and I do not > understand why. I wonder if the problem is related to the bondary > conditions and especially to the distribution of atoms at the edges of > the structure ? Does anyone could give me some track? > Many thanks for your help ! > Eric > > ----------------------------- > > ATOM 1 Mg TARG 1 1.838 7.644 0.000 1.050 5.909 > ATOM 2 Mg TARG 1 7.358 7.644 0.000 1.050 5.909 > ATOM 3 Mg TARG 1 12.878 7.644 0.000 1.050 5.909 > ATOM 4 Mg TARG 1 18.398 7.644 0.000 1.050 5.909 > ATOM 5 Mg TARG 1 23.918 7.644 0.000 1.050 5.909 > ATOM 6 Mg TARG 1 29.438 7.644 0.000 1.050 5.909 > ATOM 7 Mg TARG 1 1.838 16.854 0.000 1.050 5.909 > ATOM 8 Mg TARG 1 7.358 16.854 0.000 1.050 5.909 > ATOM 9 Mg TARG 1 12.878 16.854 0.000 1.050 5.909 > ATOM 10 Mg TARG 1 18.398 16.854 0.000 1.050 5.909 > ATOM 11 Mg TARG 1 23.918 16.854 0.000 1.050 5.909 > ATOM 12 Mg TARG 1 29.438 16.854 0.000 1.050 5.909 > ATOM 13 Mg TARG 1 1.838 26.064 0.000 1.050 5.909 > ATOM 14 Mg TARG 1 7.358 26.064 0.000 1.050 5.909 > ATOM 15 Mg TARG 1 12.878 26.064 0.000 1.050 5.909 > ATOM 16 Mg TARG 1 18.398 26.064 0.000 1.050 5.909 > ATOM 17 Mg TARG 1 23.918 26.064 0.000 1.050 5.909 > ATOM 18 Mg TARG 1 29.438 26.064 0.000 1.050 5.909 > ATOM 19 Mg TARG 1 1.838 35.274 0.000 1.050 5.909 > ATOM 20 Mg TARG 1 7.358 35.274 0.000 1.050 5.909 > ATOM 21 Mg TARG 1 12.878 35.274 0.000 1.050 5.909 > ATOM 22 Mg TARG 1 18.398 35.274 0.000 1.050 5.909 > ATOM 23 Mg TARG 1 23.918 35.274 0.000 1.050 5.909 > ATOM 24 Mg TARG 1 29.438 35.274 0.000 1.050 5.909 > ATOM 25 Mg TARG 1 -0.822 3.039 0.000 1.050 5.909 > ATOM 26 Mg TARG 1 4.698 3.039 0.000 1.050 5.909 > ATOM 27 Mg TARG 1 10.218 3.039 0.000 1.050 5.909 > ATOM 28 Mg TARG 1 15.738 3.039 0.000 1.050 5.909 > ATOM 29 Mg TARG 1 21.258 3.039 0.000 1.050 5.909 > ATOM 30 Mg TARG 1 26.778 3.039 0.000 1.050 5.909 > ATOM 31 Mg TARG 1 -0.822 12.249 0.000 1.050 5.909 > ATOM 32 Mg TARG 1 4.698 12.249 0.000 1.050 5.909 > ATOM 33 Mg TARG 1 10.218 12.249 0.000 1.050 5.909 > ATOM 34 Mg TARG 1 15.738 12.249 0.000 1.050 5.909 > ATOM 35 Mg TARG 1 21.258 12.249 0.000 1.050 5.909 > ATOM 36 Mg TARG 1 26.778 12.249 0.000 1.050 5.909 > ATOM 37 Mg TARG 1 -0.822 21.459 0.000 1.050 5.909 > ATOM 38 Mg TARG 1 4.698 21.459 0.000 1.050 5.909 > ATOM 39 Mg TARG 1 10.218 21.459 0.000 1.050 5.909 > ATOM 40 Mg TARG 1 15.738 21.459 0.000 1.050 5.909 > ATOM 41 Mg TARG 1 21.258 21.459 0.000 1.050 5.909 > ATOM 42 Mg TARG 1 26.778 21.459 0.000 1.050 5.909 > ATOM 43 Mg TARG 1 -0.822 30.669 0.000 1.050 5.909 > ATOM 44 Mg TARG 1 4.698 30.669 0.000 1.050 5.909 > ATOM 45 Mg TARG 1 10.218 30.669 0.000 1.050 5.909 > ATOM 46 Mg TARG 1 15.738 30.669 0.000 1.050 5.909 > ATOM 47 Mg TARG 1 21.258 30.669 0.000 1.050 5.909 > ATOM 48 Mg TARG 1 26.778 30.669 0.000 1.050 5.909 > ATOM 49 Mg TARG 1 1.838 1.566 0.000 1.050 5.909 > ATOM 50 Mg TARG 1 7.358 1.566 0.000 1.050 5.909 > ATOM 51 Mg TARG 1 12.878 1.566 0.000 1.050 5.909 > ATOM 52 Mg TARG 1 18.398 1.566 0.000 1.050 5.909 > ATOM 53 Mg TARG 1 23.918 1.566 0.000 1.050 5.909 > ATOM 54 Mg TARG 1 29.438 1.566 0.000 1.050 5.909 > ATOM 55 Mg TARG 1 1.838 10.776 0.000 1.050 5.909 > ATOM 56 Mg TARG 1 7.358 10.776 0.000 1.050 5.909 > ATOM 57 Mg TARG 1 12.878 10.776 0.000 1.050 5.909 > ATOM 58 Mg TARG 1 18.398 10.776 0.000 1.050 5.909 > ATOM 59 Mg TARG 1 23.918 10.776 0.000 1.050 5.909 > ATOM 60 Mg TARG 1 29.438 10.776 0.000 1.050 5.909 > ATOM 61 Mg TARG 1 1.838 19.986 0.000 1.050 5.909 > ATOM 62 Mg TARG 1 7.358 19.986 0.000 1.050 5.909 > ATOM 63 Mg TARG 1 12.878 19.986 0.000 1.050 5.909 > ATOM 64 Mg TARG 1 18.398 19.986 0.000 1.050 5.909 > ATOM 65 Mg TARG 1 23.918 19.986 0.000 1.050 5.909 > ATOM 66 Mg TARG 1 29.438 19.986 0.000 1.050 5.909 > ATOM 67 Mg TARG 1 1.838 29.196 0.000 1.050 5.909 > ATOM 68 Mg TARG 1 7.358 29.196 0.000 1.050 5.909 > ATOM 69 Mg TARG 1 12.878 29.196 0.000 1.050 5.909 > ATOM 70 Mg TARG 1 18.398 29.196 0.000 1.050 5.909 > ATOM 71 Mg TARG 1 23.918 29.196 0.000 1.050 5.909 > ATOM 72 Mg TARG 1 29.438 29.196 0.000 1.050 5.909 > ATOM 73 Si TARG 1 0.944 3.039 2.759 2.100 3.706 > ATOM 74 Si TARG 1 6.464 3.039 2.759 2.100 3.706 > ATOM 75 Si TARG 1 11.984 3.039 2.759 2.100 3.706 > ATOM 76 Si TARG 1 17.504 3.039 2.759 2.100 3.706 > ATOM 77 Si TARG 1 23.024 3.039 2.759 2.100 3.706 > ATOM 78 Si TARG 1 28.544 3.039 2.759 2.100 3.706 > ATOM 79 Si TARG 1 0.944 12.249 2.759 2.100 3.706 > ATOM 80 Si TARG 1 6.464 12.249 2.759 2.100 3.706 > ATOM 81 Si TARG 1 11.984 12.249 2.759 2.100 3.706 > ATOM 82 Si TARG 1 17.504 12.249 2.759 2.100 3.706 > ATOM 83 Si TARG 1 23.024 12.249 2.759 2.100 3.706 > ATOM 84 Si TARG 1 28.544 12.249 2.759 2.100 3.706 > ATOM 85 Si TARG 1 0.944 21.459 2.759 2.100 3.706 > ATOM 86 Si TARG 1 6.464 21.459 2.759 2.100 3.706 > ATOM 87 Si TARG 1 11.984 21.459 2.759 2.100 3.706 > ATOM 88 Si TARG 1 17.504 21.459 2.759 2.100 3.706 > ATOM 89 Si TARG 1 23.024 21.459 2.759 2.100 3.706 > ATOM 90 Si TARG 1 28.544 21.459 2.759 2.100 3.706 > ATOM 91 Si TARG 1 0.944 30.669 2.759 2.100 3.706 > ATOM 92 Si TARG 1 6.464 30.669 2.759 2.100 3.706 > ATOM 93 Si TARG 1 11.984 30.669 2.759 2.100 3.706 > ATOM 94 Si TARG 1 17.504 30.669 2.759 2.100 3.706 > ATOM 95 Si TARG 1 23.024 30.669 2.759 2.100 3.706 > ATOM 96 Si TARG 1 28.544 30.669 2.759 2.100 3.706 > ATOM 97 Si TARG 1 3.604 7.644 2.759 2.100 3.706 > ATOM 98 Si TARG 1 9.124 7.644 2.759 2.100 3.706 > ATOM 99 Si TARG 1 14.644 7.644 2.759 2.100 3.706 > ATOM 100 Si TARG 1 20.164 7.644 2.759 2.100 3.706 > ATOM 101 Si TARG 1 25.684 7.644 2.759 2.100 3.706 > ATOM 102 Si TARG 1 31.204 7.644 2.759 2.100 3.706 > ATOM 103 Si TARG 1 3.604 16.854 2.759 2.100 3.706 > ATOM 104 Si TARG 1 9.124 16.854 2.759 2.100 3.706 > ATOM 105 Si TARG 1 14.644 16.854 2.759 2.100 3.706 > ATOM 106 Si TARG 1 20.164 16.854 2.759 2.100 3.706 > ATOM 107 Si TARG 1 25.684 16.854 2.759 2.100 3.706 > ATOM 108 Si TARG 1 31.204 16.854 2.759 2.100 3.706 > ATOM 109 Si TARG 1 3.604 26.064 2.759 2.100 3.706 > ATOM 110 Si TARG 1 9.124 26.064 2.759 2.100 3.706 > ATOM 111 Si TARG 1 14.644 26.064 2.759 2.100 3.706 > ATOM 112 Si TARG 1 20.164 26.064 2.759 2.100 3.706 > ATOM 113 Si TARG 1 25.684 26.064 2.759 2.100 3.706 > ATOM 114 Si TARG 1 31.204 26.064 2.759 2.100 3.706 > ATOM 115 Si TARG 1 3.604 35.274 2.759 2.100 3.706 > ATOM 116 Si TARG 1 9.124 35.274 2.759 2.100 3.706 > ATOM 117 Si TARG 1 14.644 35.274 2.759 2.100 3.706 > ATOM 118 Si TARG 1 20.164 35.274 2.759 2.100 3.706 > ATOM 119 Si TARG 1 25.684 35.274 2.759 2.100 3.706 > ATOM 120 Si TARG 1 31.204 35.274 2.759 2.100 3.706 > ATOM 121 Si TARG 1 0.944 6.171 2.759 2.100 3.706 > ATOM 122 Si TARG 1 6.464 6.171 2.759 2.100 3.706 > ATOM 123 Si TARG 1 11.984 6.171 2.759 2.100 3.706 > ATOM 124 Si TARG 1 17.504 6.171 2.759 2.100 3.706 > ATOM 125 Si TARG 1 23.024 6.171 2.759 2.100 3.706 > ATOM 126 Si TARG 1 28.544 6.171 2.759 2.100 3.706 > ATOM 127 Si TARG 1 0.944 15.381 2.759 2.100 3.706 > ATOM 128 Si TARG 1 6.464 15.381 2.759 2.100 3.706 > ATOM 129 Si TARG 1 11.984 15.381 2.759 2.100 3.706 > ATOM 130 Si TARG 1 17.504 15.381 2.759 2.100 3.706 > ATOM 131 Si TARG 1 23.024 15.381 2.759 2.100 3.706 > ATOM 132 Si TARG 1 28.544 15.381 2.759 2.100 3.706 > ATOM 133 Si TARG 1 0.944 24.591 2.759 2.100 3.706 > ATOM 134 Si TARG 1 6.464 24.591 2.759 2.100 3.706 > ATOM 135 Si TARG 1 11.984 24.591 2.759 2.100 3.706 > ATOM 136 Si TARG 1 17.504 24.591 2.759 2.100 3.706 > ATOM 137 Si TARG 1 23.024 24.591 2.759 2.100 3.706 > ATOM 138 Si TARG 1 28.544 24.591 2.759 2.100 3.706 > ATOM 139 Si TARG 1 0.944 33.801 2.759 2.100 3.706 > ATOM 140 Si TARG 1 6.464 33.801 2.759 2.100 3.706 > ATOM 141 Si TARG 1 11.984 33.801 2.759 2.100 3.706 > ATOM 142 Si TARG 1 17.504 33.801 2.759 2.100 3.706 > ATOM 143 Si TARG 1 23.024 33.801 2.759 2.100 3.706 > ATOM 144 Si TARG 1 28.544 33.801 2.759 2.100 3.706 > ATOM 145 Si TARG 1 3.604 1.566 2.759 2.100 3.706 > ATOM 146 Si TARG 1 9.124 1.566 2.759 2.100 3.706 > ATOM 147 Si TARG 1 14.644 1.566 2.759 2.100 3.706 > ATOM 148 Si TARG 1 20.164 1.566 2.759 2.100 3.706 > ATOM 149 Si TARG 1 25.684 1.566 2.759 2.100 3.706 > ATOM 150 Si TARG 1 31.204 1.566 2.759 2.100 3.706 > ATOM 151 Si TARG 1 3.604 10.776 2.759 2.100 3.706 > ATOM 152 Si TARG 1 9.124 10.776 2.759 2.100 3.706 > ATOM 153 Si TARG 1 14.644 10.776 2.759 2.100 3.706 > ATOM 154 Si TARG 1 20.164 10.776 2.759 2.100 3.706 > ATOM 155 Si TARG 1 25.684 10.776 2.759 2.100 3.706 > ATOM 156 Si TARG 1 31.204 10.776 2.759 2.100 3.706 > ATOM 157 Si TARG 1 3.604 19.986 2.759 2.100 3.706 > ATOM 158 Si TARG 1 9.124 19.986 2.759 2.100 3.706 > ATOM 159 Si TARG 1 14.644 19.986 2.759 2.100 3.706 > ATOM 160 Si TARG 1 20.164 19.986 2.759 2.100 3.706 > ATOM 161 Si TARG 1 25.684 19.986 2.759 2.100 3.706 > ATOM 162 Si TARG 1 31.204 19.986 2.759 2.100 3.706 > ATOM 163 Si TARG 1 3.604 29.196 2.759 2.100 3.706 > ATOM 164 Si TARG 1 9.124 29.196 2.759 2.100 3.706 > ATOM 165 Si TARG 1 14.644 29.196 2.759 2.100 3.706 > ATOM 166 Si TARG 1 20.164 29.196 2.759 2.100 3.706 > ATOM 167 Si TARG 1 25.684 29.196 2.759 2.100 3.706 > ATOM 168 Si TARG 1 31.204 29.196 2.759 2.100 3.706 > ATOM 169 O TARG 1 3.604 0.000 3.350 -1.050 3.553 > ATOM 170 O TARG 1 9.124 0.000 3.350 -1.050 3.553 > ATOM 171 O TARG 1 14.644 0.000 3.350 -1.050 3.553 > ATOM 172 O TARG 1 20.164 0.000 3.350 -1.050 3.553 > ATOM 173 O TARG 1 25.684 0.000 3.350 -1.050 3.553 > ATOM 174 O TARG 1 31.204 0.000 3.350 -1.050 3.553 > ATOM 175 O TARG 1 3.604 9.210 3.350 -1.050 3.553 > ATOM 176 O TARG 1 9.124 9.210 3.350 -1.050 3.553 > ATOM 177 O TARG 1 14.644 9.210 3.350 -1.050 3.553 > ATOM 178 O TARG 1 20.164 9.210 3.350 -1.050 3.553 > ATOM 179 O TARG 1 25.684 9.210 3.350 -1.050 3.553 > ATOM 180 O TARG 1 31.204 9.210 3.350 -1.050 3.553 > ATOM 181 O TARG 1 3.604 18.420 3.350 -1.050 3.553 > ATOM 182 O TARG 1 9.124 18.420 3.350 -1.050 3.553 > ATOM 183 O TARG 1 14.644 18.420 3.350 -1.050 3.553 > ATOM 184 O TARG 1 20.164 18.420 3.350 -1.050 3.553 > ATOM 185 O TARG 1 25.684 18.420 3.350 -1.050 3.553 > ATOM 186 O TARG 1 31.204 18.420 3.350 -1.050 3.553 > ATOM 187 O TARG 1 3.604 27.630 3.350 -1.050 3.553 > ATOM 188 O TARG 1 9.124 27.630 3.350 -1.050 3.553 > ATOM 189 O TARG 1 14.644 27.630 3.350 -1.050 3.553 > ATOM 190 O TARG 1 20.164 27.630 3.350 -1.050 3.553 > ATOM 191 O TARG 1 25.684 27.630 3.350 -1.050 3.553 > ATOM 192 O TARG 1 31.204 27.630 3.350 -1.050 3.553 > ATOM 193 O TARG 1 0.944 4.605 3.350 -1.050 3.553 > ATOM 194 O TARG 1 6.464 4.605 3.350 -1.050 3.553 > ATOM 195 O TARG 1 11.984 4.605 3.350 -1.050 3.553 > ATOM 196 O TARG 1 17.504 4.605 3.350 -1.050 3.553 > ATOM 197 O TARG 1 23.024 4.605 3.350 -1.050 3.553 > ATOM 198 O TARG 1 28.544 4.605 3.350 -1.050 3.553 > ATOM 199 O TARG 1 0.944 13.815 3.350 -1.050 3.553 > ATOM 200 O TARG 1 6.464 13.815 3.350 -1.050 3.553 > ATOM 201 O TARG 1 11.984 13.815 3.350 -1.050 3.553 > ATOM 202 O TARG 1 17.504 13.815 3.350 -1.050 3.553 > ATOM 203 O TARG 1 23.024 13.815 3.350 -1.050 3.553 > ATOM 204 O TARG 1 28.544 13.815 3.350 -1.050 3.553 > ATOM 205 O TARG 1 0.944 23.025 3.350 -1.050 3.553 > ATOM 206 O TARG 1 6.464 23.025 3.350 -1.050 3.553 > ATOM 207 O TARG 1 11.984 23.025 3.350 -1.050 3.553 > ATOM 208 O TARG 1 17.504 23.025 3.350 -1.050 3.553 > ATOM 209 O TARG 1 23.024 23.025 3.350 -1.050 3.553 > ATOM 210 O TARG 1 28.544 23.025 3.350 -1.050 3.553 > ATOM 211 O TARG 1 0.944 32.235 3.350 -1.050 3.553 > ATOM 212 O TARG 1 6.464 32.235 3.350 -1.050 3.553 > ATOM 213 O TARG 1 11.984 32.235 3.350 -1.050 3.553 > ATOM 214 O TARG 1 17.504 32.235 3.350 -1.050 3.553 > ATOM 215 O TARG 1 23.024 32.235 3.350 -1.050 3.553 > ATOM 216 O TARG 1 28.544 32.235 3.350 -1.050 3.553 > ATOM 217 O TARG 1 -0.386 2.303 3.350 -1.050 3.553 > ATOM 218 O TARG 1 5.134 2.303 3.350 -1.050 3.553 > ATOM 219 O TARG 1 10.654 2.303 3.350 -1.050 3.553 > ATOM 220 O TARG 1 16.174 2.303 3.350 -1.050 3.553 > ATOM 221 O TARG 1 21.694 2.303 3.350 -1.050 3.553 > ATOM 222 O TARG 1 27.214 2.303 3.350 -1.050 3.553 > ATOM 223 O TARG 1 -0.386 11.513 3.350 -1.050 3.553 > ATOM 224 O TARG 1 5.134 11.513 3.350 -1.050 3.553 > ATOM 225 O TARG 1 10.654 11.513 3.350 -1.050 3.553 > ATOM 226 O TARG 1 16.174 11.513 3.350 -1.050 3.553 > ATOM 227 O TARG 1 21.694 11.513 3.350 -1.050 3.553 > ATOM 228 O TARG 1 27.214 11.513 3.350 -1.050 3.553 > ATOM 229 O TARG 1 -0.386 20.723 3.350 -1.050 3.553 > ATOM 230 O TARG 1 5.134 20.723 3.350 -1.050 3.553 > ATOM 231 O TARG 1 10.654 20.723 3.350 -1.050 3.553 > ATOM 232 O TARG 1 16.174 20.723 3.350 -1.050 3.553 > ATOM 233 O TARG 1 21.694 20.723 3.350 -1.050 3.553 > ATOM 234 O TARG 1 27.214 20.723 3.350 -1.050 3.553 > ATOM 235 O TARG 1 -0.386 29.933 3.350 -1.050 3.553 > ATOM 236 O TARG 1 5.134 29.933 3.350 -1.050 3.553 > ATOM 237 O TARG 1 10.654 29.933 3.350 -1.050 3.553 > ATOM 238 O TARG 1 16.174 29.933 3.350 -1.050 3.553 > ATOM 239 O TARG 1 21.694 29.933 3.350 -1.050 3.553 > ATOM 240 O TARG 1 27.214 29.933 3.350 -1.050 3.553 > ATOM 241 O TARG 1 2.274 6.908 3.350 -1.050 3.553 > ATOM 242 O TARG 1 7.794 6.908 3.350 -1.050 3.553 > ATOM 243 O TARG 1 13.314 6.908 3.350 -1.050 3.553 > ATOM 244 O TARG 1 18.834 6.908 3.350 -1.050 3.553 > ATOM 245 O TARG 1 24.354 6.908 3.350 -1.050 3.553 > ATOM 246 O TARG 1 29.874 6.908 3.350 -1.050 3.553 > ATOM 247 O TARG 1 2.274 16.118 3.350 -1.050 3.553 > ATOM 248 O TARG 1 7.794 16.118 3.350 -1.050 3.553 > ATOM 249 O TARG 1 13.314 16.118 3.350 -1.050 3.553 > ATOM 250 O TARG 1 18.834 16.118 3.350 -1.050 3.553 > ATOM 251 O TARG 1 24.354 16.118 3.350 -1.050 3.553 > ATOM 252 O TARG 1 29.874 16.118 3.350 -1.050 3.553 > ATOM 253 O TARG 1 2.274 25.328 3.350 -1.050 3.553 > ATOM 254 O TARG 1 7.794 25.328 3.350 -1.050 3.553 > ATOM 255 O TARG 1 13.314 25.328 3.350 -1.050 3.553 > ATOM 256 O TARG 1 18.834 25.328 3.350 -1.050 3.553 > ATOM 257 O TARG 1 24.354 25.328 3.350 -1.050 3.553 > ATOM 258 O TARG 1 29.874 25.328 3.350 -1.050 3.553 > ATOM 259 O TARG 1 2.274 34.538 3.350 -1.050 3.553 > ATOM 260 O TARG 1 7.794 34.538 3.350 -1.050 3.553 > ATOM 261 O TARG 1 13.314 34.538 3.350 -1.050 3.553 > ATOM 262 O TARG 1 18.834 34.538 3.350 -1.050 3.553 > ATOM 263 O TARG 1 24.354 34.538 3.350 -1.050 3.553 > ATOM 264 O TARG 1 29.874 34.538 3.350 -1.050 3.553 > ATOM 265 O TARG 1 -0.386 6.908 3.350 -1.050 3.553 > ATOM 266 O TARG 1 5.134 6.908 3.350 -1.050 3.553 > ATOM 267 O TARG 1 10.654 6.908 3.350 -1.050 3.553 > ATOM 268 O TARG 1 16.174 6.908 3.350 -1.050 3.553 > ATOM 269 O TARG 1 21.694 6.908 3.350 -1.050 3.553 > ATOM 270 O TARG 1 27.214 6.908 3.350 -1.050 3.553 > ATOM 271 O TARG 1 -0.386 16.118 3.350 -1.050 3.553 > ATOM 272 O TARG 1 5.134 16.118 3.350 -1.050 3.553 > ATOM 273 O TARG 1 10.654 16.118 3.350 -1.050 3.553 > ATOM 274 O TARG 1 16.174 16.118 3.350 -1.050 3.553 > ATOM 275 O TARG 1 21.694 16.118 3.350 -1.050 3.553 > ATOM 276 O TARG 1 27.214 16.118 3.350 -1.050 3.553 > ATOM 277 O TARG 1 -0.386 25.328 3.350 -1.050 3.553 > ATOM 278 O TARG 1 5.134 25.328 3.350 -1.050 3.553 > ATOM 279 O TARG 1 10.654 25.328 3.350 -1.050 3.553 > ATOM 280 O TARG 1 16.174 25.328 3.350 -1.050 3.553 > ATOM 281 O TARG 1 21.694 25.328 3.350 -1.050 3.553 > ATOM 282 O TARG 1 27.214 25.328 3.350 -1.050 3.553 > ATOM 283 O TARG 1 -0.386 34.538 3.350 -1.050 3.553 > ATOM 284 O TARG 1 5.134 34.538 3.350 -1.050 3.553 > ATOM 285 O TARG 1 10.654 34.538 3.350 -1.050 3.553 > ATOM 286 O TARG 1 16.174 34.538 3.350 -1.050 3.553 > ATOM 287 O TARG 1 21.694 34.538 3.350 -1.050 3.553 > ATOM 288 O TARG 1 27.214 34.538 3.350 -1.050 3.553 > ATOM 289 O TARG 1 2.274 2.303 3.350 -1.050 3.553 > ATOM 290 O TARG 1 7.794 2.303 3.350 -1.050 3.553 > ATOM 291 O TARG 1 13.314 2.303 3.350 -1.050 3.553 > ATOM 292 O TARG 1 18.834 2.303 3.350 -1.050 3.553 > ATOM 293 O TARG 1 24.354 2.303 3.350 -1.050 3.553 > ATOM 294 O TARG 1 29.874 2.303 3.350 -1.050 3.553 > ATOM 295 O TARG 1 2.274 11.513 3.350 -1.050 3.553 > ATOM 296 O TARG 1 7.794 11.513 3.350 -1.050 3.553 > ATOM 297 O TARG 1 13.314 11.513 3.350 -1.050 3.553 > ATOM 298 O TARG 1 18.834 11.513 3.350 -1.050 3.553 > ATOM 299 O TARG 1 24.354 11.513 3.350 -1.050 3.553 > ATOM 300 O TARG 1 29.874 11.513 3.350 -1.050 3.553 > ATOM 301 O TARG 1 2.274 20.723 3.350 -1.050 3.553 > ATOM 302 O TARG 1 7.794 20.723 3.350 -1.050 3.553 > ATOM 303 O TARG 1 13.314 20.723 3.350 -1.050 3.553 > ATOM 304 O TARG 1 18.834 20.723 3.350 -1.050 3.553 > ATOM 305 O TARG 1 24.354 20.723 3.350 -1.050 3.553 > ATOM 306 O TARG 1 29.874 20.723 3.350 -1.050 3.553 > ATOM 307 O TARG 1 2.274 29.933 3.350 -1.050 3.553 > ATOM 308 O TARG 1 7.794 29.933 3.350 -1.050 3.553 > ATOM 309 O TARG 1 13.314 29.933 3.350 -1.050 3.553 > ATOM 310 O TARG 1 18.834 29.933 3.350 -1.050 3.553 > ATOM 311 O TARG 1 24.354 29.933 3.350 -1.050 3.553 > ATOM 312 O TARG 1 29.874 29.933 3.350 -1.050 3.553 > ATOM 313 O TARG 1 0.934 3.039 1.182 -1.050 3.553 > ATOM 314 O TARG 1 6.454 3.039 1.182 -1.050 3.553 > ATOM 315 O TARG 1 11.974 3.039 1.182 -1.050 3.553 > ATOM 316 O TARG 1 17.494 3.039 1.182 -1.050 3.553 > ATOM 317 O TARG 1 23.014 3.039 1.182 -1.050 3.553 > ATOM 318 O TARG 1 28.534 3.039 1.182 -1.050 3.553 > ATOM 319 O TARG 1 0.934 12.249 1.182 -1.050 3.553 > ATOM 320 O TARG 1 6.454 12.249 1.182 -1.050 3.553 > ATOM 321 O TARG 1 11.974 12.249 1.182 -1.050 3.553 > ATOM 322 O TARG 1 17.494 12.249 1.182 -1.050 3.553 > ATOM 323 O TARG 1 23.014 12.249 1.182 -1.050 3.553 > ATOM 324 O TARG 1 28.534 12.249 1.182 -1.050 3.553 > ATOM 325 O TARG 1 0.934 21.459 1.182 -1.050 3.553 > ATOM 326 O TARG 1 6.454 21.459 1.182 -1.050 3.553 > ATOM 327 O TARG 1 11.974 21.459 1.182 -1.050 3.553 > ATOM 328 O TARG 1 17.494 21.459 1.182 -1.050 3.553 > ATOM 329 O TARG 1 23.014 21.459 1.182 -1.050 3.553 > ATOM 330 O TARG 1 28.534 21.459 1.182 -1.050 3.553 > ATOM 331 O TARG 1 0.934 30.669 1.182 -1.050 3.553 > ATOM 332 O TARG 1 6.454 30.669 1.182 -1.050 3.553 > ATOM 333 O TARG 1 11.974 30.669 1.182 -1.050 3.553 > ATOM 334 O TARG 1 17.494 30.669 1.182 -1.050 3.553 > ATOM 335 O TARG 1 23.014 30.669 1.182 -1.050 3.553 > ATOM 336 O TARG 1 28.534 30.669 1.182 -1.050 3.553 > ATOM 337 O TARG 1 3.594 7.644 1.182 -1.050 3.553 > ATOM 338 O TARG 1 9.114 7.644 1.182 -1.050 3.553 > ATOM 339 O TARG 1 14.634 7.644 1.182 -1.050 3.553 > ATOM 340 O TARG 1 20.154 7.644 1.182 -1.050 3.553 > ATOM 341 O TARG 1 25.674 7.644 1.182 -1.050 3.553 > ATOM 342 O TARG 1 31.194 7.644 1.182 -1.050 3.553 > ATOM 343 O TARG 1 3.594 16.854 1.182 -1.050 3.553 > ATOM 344 O TARG 1 9.114 16.854 1.182 -1.050 3.553 > ATOM 345 O TARG 1 14.634 16.854 1.182 -1.050 3.553 > ATOM 346 O TARG 1 20.154 16.854 1.182 -1.050 3.553 > ATOM 347 O TARG 1 25.674 16.854 1.182 -1.050 3.553 > ATOM 348 O TARG 1 31.194 16.854 1.182 -1.050 3.553 > ATOM 349 O TARG 1 3.594 26.064 1.182 -1.050 3.553 > ATOM 350 O TARG 1 9.114 26.064 1.182 -1.050 3.553 > ATOM 351 O TARG 1 14.634 26.064 1.182 -1.050 3.553 > ATOM 352 O TARG 1 20.154 26.064 1.182 -1.050 3.553 > ATOM 353 O TARG 1 25.674 26.064 1.182 -1.050 3.553 > ATOM 354 O TARG 1 31.194 26.064 1.182 -1.050 3.553 > ATOM 355 O TARG 1 3.594 35.274 1.182 -1.050 3.553 > ATOM 356 O TARG 1 9.114 35.274 1.182 -1.050 3.553 > ATOM 357 O TARG 1 14.634 35.274 1.182 -1.050 3.553 > ATOM 358 O TARG 1 20.154 35.274 1.182 -1.050 3.553 > ATOM 359 O TARG 1 25.674 35.274 1.182 -1.050 3.553 > ATOM 360 O TARG 1 31.194 35.274 1.182 -1.050 3.553 > ATOM 361 O TARG 1 0.934 6.171 1.182 -1.050 3.553 > ATOM 362 O TARG 1 6.454 6.171 1.182 -1.050 3.553 > ATOM 363 O TARG 1 11.974 6.171 1.182 -1.050 3.553 > ATOM 364 O TARG 1 17.494 6.171 1.182 -1.050 3.553 > ATOM 365 O TARG 1 23.014 6.171 1.182 -1.050 3.553 > ATOM 366 O TARG 1 28.534 6.171 1.182 -1.050 3.553 > ATOM 367 O TARG 1 0.934 15.381 1.182 -1.050 3.553 > ATOM 368 O TARG 1 6.454 15.381 1.182 -1.050 3.553 > ATOM 369 O TARG 1 11.974 15.381 1.182 -1.050 3.553 > ATOM 370 O TARG 1 17.494 15.381 1.182 -1.050 3.553 > ATOM 371 O TARG 1 23.014 15.381 1.182 -1.050 3.553 > ATOM 372 O TARG 1 28.534 15.381 1.182 -1.050 3.553 > ATOM 373 O TARG 1 0.934 24.591 1.182 -1.050 3.553 > ATOM 374 O TARG 1 6.454 24.591 1.182 -1.050 3.553 > ATOM 375 O TARG 1 11.974 24.591 1.182 -1.050 3.553 > ATOM 376 O TARG 1 17.494 24.591 1.182 -1.050 3.553 > ATOM 377 O TARG 1 23.014 24.591 1.182 -1.050 3.553 > ATOM 378 O TARG 1 28.534 24.591 1.182 -1.050 3.553 > ATOM 379 O TARG 1 0.934 33.801 1.182 -1.050 3.553 > ATOM 380 O TARG 1 6.454 33.801 1.182 -1.050 3.553 > ATOM 381 O TARG 1 11.974 33.801 1.182 -1.050 3.553 > ATOM 382 O TARG 1 17.494 33.801 1.182 -1.050 3.553 > ATOM 383 O TARG 1 23.014 33.801 1.182 -1.050 3.553 > ATOM 384 O TARG 1 28.534 33.801 1.182 -1.050 3.553 > ATOM 385 O TARG 1 3.594 1.566 1.182 -1.050 3.553 > ATOM 386 O TARG 1 9.114 1.566 1.182 -1.050 3.553 > ATOM 387 O TARG 1 14.634 1.566 1.182 -1.050 3.553 > ATOM 388 O TARG 1 20.154 1.566 1.182 -1.050 3.553 > ATOM 389 O TARG 1 25.674 1.566 1.182 -1.050 3.553 > ATOM 390 O TARG 1 31.194 1.566 1.182 -1.050 3.553 > ATOM 391 O TARG 1 3.594 10.776 1.182 -1.050 3.553 > ATOM 392 O TARG 1 9.114 10.776 1.182 -1.050 3.553 > ATOM 393 O TARG 1 14.634 10.776 1.182 -1.050 3.553 > ATOM 394 O TARG 1 20.154 10.776 1.182 -1.050 3.553 > ATOM 395 O TARG 1 25.674 10.776 1.182 -1.050 3.553 > ATOM 396 O TARG 1 31.194 10.776 1.182 -1.050 3.553 > ATOM 397 O TARG 1 3.594 19.986 1.182 -1.050 3.553 > ATOM 398 O TARG 1 9.114 19.986 1.182 -1.050 3.553 > ATOM 399 O TARG 1 14.634 19.986 1.182 -1.050 3.553 > ATOM 400 O TARG 1 20.154 19.986 1.182 -1.050 3.553 > ATOM 401 O TARG 1 25.674 19.986 1.182 -1.050 3.553 > ATOM 402 O TARG 1 31.194 19.986 1.182 -1.050 3.553 > ATOM 403 O TARG 1 3.594 29.196 1.182 -1.050 3.553 > ATOM 404 O TARG 1 9.114 29.196 1.182 -1.050 3.553 > ATOM 405 O TARG 1 14.634 29.196 1.182 -1.050 3.553 > ATOM 406 O TARG 1 20.154 29.196 1.182 -1.050 3.553 > ATOM 407 O TARG 1 25.674 29.196 1.182 -1.050 3.553 > ATOM 408 O TARG 1 31.194 29.196 1.182 -1.050 3.553 > ATOM 409 O TARG 1 0.934 0.000 1.182 -0.950 3.553 > ATOM 410 O TARG 1 6.454 0.000 1.182 -0.950 3.553 > ATOM 411 O TARG 1 11.974 0.000 1.182 -0.950 3.553 > ATOM 412 O TARG 1 17.494 0.000 1.182 -0.950 3.553 > ATOM 413 O TARG 1 23.014 0.000 1.182 -0.950 3.553 > ATOM 414 O TARG 1 28.534 0.000 1.182 -0.950 3.553 > ATOM 415 O TARG 1 0.934 9.210 1.182 -0.950 3.553 > ATOM 416 O TARG 1 6.454 9.210 1.182 -0.950 3.553 > ATOM 417 O TARG 1 11.974 9.210 1.182 -0.950 3.553 > ATOM 418 O TARG 1 17.494 9.210 1.182 -0.950 3.553 > ATOM 419 O TARG 1 23.014 9.210 1.182 -0.950 3.553 > ATOM 420 O TARG 1 28.534 9.210 1.182 -0.950 3.553 > ATOM 421 O TARG 1 0.934 18.420 1.182 -0.950 3.553 > ATOM 422 O TARG 1 6.454 18.420 1.182 -0.950 3.553 > ATOM 423 O TARG 1 11.974 18.420 1.182 -0.950 3.553 > ATOM 424 O TARG 1 17.494 18.420 1.182 -0.950 3.553 > ATOM 425 O TARG 1 23.014 18.420 1.182 -0.950 3.553 > ATOM 426 O TARG 1 28.534 18.420 1.182 -0.950 3.553 > ATOM 427 O TARG 1 0.934 27.630 1.182 -0.950 3.553 > ATOM 428 O TARG 1 6.454 27.630 1.182 -0.950 3.553 > ATOM 429 O TARG 1 11.974 27.630 1.182 -0.950 3.553 > ATOM 430 O TARG 1 17.494 27.630 1.182 -0.950 3.553 > ATOM 431 O TARG 1 23.014 27.630 1.182 -0.950 3.553 > ATOM 432 O TARG 1 28.534 27.630 1.182 -0.950 3.553 > ATOM 433 O TARG 1 3.594 4.605 1.182 -0.950 3.553 > ATOM 434 O TARG 1 9.114 4.605 1.182 -0.950 3.553 > ATOM 435 O TARG 1 14.634 4.605 1.182 -0.950 3.553 > ATOM 436 O TARG 1 20.154 4.605 1.182 -0.950 3.553 > ATOM 437 O TARG 1 25.674 4.605 1.182 -0.950 3.553 > ATOM 438 O TARG 1 31.194 4.605 1.182 -0.950 3.553 > ATOM 439 O TARG 1 3.594 13.815 1.182 -0.950 3.553 > ATOM 440 O TARG 1 9.114 13.815 1.182 -0.950 3.553 > ATOM 441 O TARG 1 14.634 13.815 1.182 -0.950 3.553 > ATOM 442 O TARG 1 20.154 13.815 1.182 -0.950 3.553 > ATOM 443 O TARG 1 25.674 13.815 1.182 -0.950 3.553 > ATOM 444 O TARG 1 31.194 13.815 1.182 -0.950 3.553 > ATOM 445 O TARG 1 3.594 23.025 1.182 -0.950 3.553 > ATOM 446 O TARG 1 9.114 23.025 1.182 -0.950 3.553 > ATOM 447 O TARG 1 14.634 23.025 1.182 -0.950 3.553 > ATOM 448 O TARG 1 20.154 23.025 1.182 -0.950 3.553 > ATOM 449 O TARG 1 25.674 23.025 1.182 -0.950 3.553 > ATOM 450 O TARG 1 31.194 23.025 1.182 -0.950 3.553 > ATOM 451 O TARG 1 3.594 32.235 1.182 -0.950 3.553 > ATOM 452 O TARG 1 9.114 32.235 1.182 -0.950 3.553 > ATOM 453 O TARG 1 14.634 32.235 1.182 -0.950 3.553 > ATOM 454 O TARG 1 20.154 32.235 1.182 -0.950 3.553 > ATOM 455 O TARG 1 25.674 32.235 1.182 -0.950 3.553 > ATOM 456 O TARG 1 31.194 32.235 1.182 -0.950 3.553 > ATOM 457 H TARG 1 0.934 0.000 2.167 0.425 0.000 > ATOM 458 H TARG 1 6.454 0.000 2.167 0.425 0.000 > ATOM 459 H TARG 1 11.974 0.000 2.167 0.425 0.000 > ATOM 460 H TARG 1 17.494 0.000 2.167 0.425 0.000 > ATOM 461 H TARG 1 23.014 0.000 2.167 0.425 0.000 > ATOM 462 H TARG 1 28.534 0.000 2.167 0.425 0.000 > ATOM 463 H TARG 1 0.934 9.210 2.167 0.425 0.000 > ATOM 464 H TARG 1 6.454 9.210 2.167 0.425 0.000 > ATOM 465 H TARG 1 11.974 9.210 2.167 0.425 0.000 > ATOM 466 H TARG 1 17.494 9.210 2.167 0.425 0.000 > ATOM 467 H TARG 1 23.014 9.210 2.167 0.425 0.000 > ATOM 468 H TARG 1 28.534 9.210 2.167 0.425 0.000 > ATOM 469 H TARG 1 0.934 18.420 2.167 0.425 0.000 > ATOM 470 H TARG 1 6.454 18.420 2.167 0.425 0.000 > ATOM 471 H TARG 1 11.974 18.420 2.167 0.425 0.000 > ATOM 472 H TARG 1 17.494 18.420 2.167 0.425 0.000 > ATOM 473 H TARG 1 23.014 18.420 2.167 0.425 0.000 > ATOM 474 H TARG 1 28.534 18.420 2.167 0.425 0.000 > ATOM 475 H TARG 1 0.934 27.630 2.167 0.425 0.000 > ATOM 476 H TARG 1 6.454 27.630 2.167 0.425 0.000 > ATOM 477 H TARG 1 11.974 27.630 2.167 0.425 0.000 > ATOM 478 H TARG 1 17.494 27.630 2.167 0.425 0.000 > ATOM 479 H TARG 1 23.014 27.630 2.167 0.425 0.000 > ATOM 480 H TARG 1 28.534 27.630 2.167 0.425 0.000 > ATOM 481 H TARG 1 3.594 4.605 2.167 0.425 0.000 > ATOM 482 H TARG 1 9.114 4.605 2.167 0.425 0.000 > ATOM 483 H TARG 1 14.634 4.605 2.167 0.425 0.000 > ATOM 484 H TARG 1 20.154 4.605 2.167 0.425 0.000 > ATOM 485 H TARG 1 25.674 4.605 2.167 0.425 0.000 > ATOM 486 H TARG 1 31.194 4.605 2.167 0.425 0.000 > ATOM 487 H TARG 1 3.594 13.815 2.167 0.425 0.000 > ATOM 488 H TARG 1 9.114 13.815 2.167 0.425 0.000 > ATOM 489 H TARG 1 14.634 13.815 2.167 0.425 0.000 > ATOM 490 H TARG 1 20.154 13.815 2.167 0.425 0.000 > ATOM 491 H TARG 1 25.674 13.815 2.167 0.425 0.000 > ATOM 492 H TARG 1 31.194 13.815 2.167 0.425 0.000 > ATOM 493 H TARG 1 3.594 23.025 2.167 0.425 0.000 > ATOM 494 H TARG 1 9.114 23.025 2.167 0.425 0.000 > ATOM 495 H TARG 1 14.634 23.025 2.167 0.425 0.000 > ATOM 496 H TARG 1 20.154 23.025 2.167 0.425 0.000 > ATOM 497 H TARG 1 25.674 23.025 2.167 0.425 0.000 > ATOM 498 H TARG 1 31.194 23.025 2.167 0.425 0.000 > ATOM 499 H TARG 1 3.594 32.235 2.167 0.425 0.000 > ATOM 500 H TARG 1 9.114 32.235 2.167 0.425 0.000 > ATOM 501 H TARG 1 14.634 32.235 2.167 0.425 0.000 > ATOM 502 H TARG 1 20.154 32.235 2.167 0.425 0.000 > ATOM 503 H TARG 1 25.674 32.235 2.167 0.425 0.000 > ATOM 504 H TARG 1 31.194 32.235 2.167 0.425 0.000 > ATOM 505 Mg TARG 1 -0.822 0.000 0.000 1.050 5.909 > ATOM 506 Mg TARG 1 4.698 0.000 0.000 1.050 5.909 > ATOM 507 Mg TARG 1 10.218 0.000 0.000 1.050 5.909 > ATOM 508 Mg TARG 1 15.738 0.000 0.000 1.050 5.909 > ATOM 509 Mg TARG 1 21.258 0.000 0.000 1.050 5.909 > ATOM 510 Mg TARG 1 26.778 0.000 0.000 1.050 5.909 > ATOM 511 Mg TARG 1 -0.822 9.210 0.000 1.050 5.909 > ATOM 512 Mg TARG 1 4.698 9.210 0.000 1.050 5.909 > ATOM 513 Mg TARG 1 10.218 9.210 0.000 1.050 5.909 > ATOM 514 Mg TARG 1 15.738 9.210 0.000 1.050 5.909 > ATOM 515 Mg TARG 1 21.258 9.210 0.000 1.050 5.909 > ATOM 516 Mg TARG 1 26.778 9.210 0.000 1.050 5.909 > ATOM 517 Mg TARG 1 -0.822 18.420 0.000 1.050 5.909 > ATOM 518 Mg TARG 1 4.698 18.420 0.000 1.050 5.909 > ATOM 519 Mg TARG 1 10.218 18.420 0.000 1.050 5.909 > ATOM 520 Mg TARG 1 15.738 18.420 0.000 1.050 5.909 > ATOM 521 Mg TARG 1 21.258 18.420 0.000 1.050 5.909 > ATOM 522 Mg TARG 1 26.778 18.420 0.000 1.050 5.909 > ATOM 523 Mg TARG 1 -0.822 27.630 0.000 1.050 5.909 > ATOM 524 Mg TARG 1 4.698 27.630 0.000 1.050 5.909 > ATOM 525 Mg TARG 1 10.218 27.630 0.000 1.050 5.909 > ATOM 526 Mg TARG 1 15.738 27.630 0.000 1.050 5.909 > ATOM 527 Mg TARG 1 21.258 27.630 0.000 1.050 5.909 > ATOM 528 Mg TARG 1 26.778 27.630 0.000 1.050 5.909 > ATOM 529 Mg TARG 1 1.838 4.605 0.000 1.050 5.909 > ATOM 530 Mg TARG 1 7.358 4.605 0.000 1.050 5.909 > ATOM 531 Mg TARG 1 12.878 4.605 0.000 1.050 5.909 > ATOM 532 Mg TARG 1 18.398 4.605 0.000 1.050 5.909 > ATOM 533 Mg TARG 1 23.918 4.605 0.000 1.050 5.909 > ATOM 534 Mg TARG 1 29.438 4.605 0.000 1.050 5.909 > ATOM 535 Mg TARG 1 1.838 13.815 0.000 1.050 5.909 > ATOM 536 Mg TARG 1 7.358 13.815 0.000 1.050 5.909 > ATOM 537 Mg TARG 1 12.878 13.815 0.000 1.050 5.909 > ATOM 538 Mg TARG 1 18.398 13.815 0.000 1.050 5.909 > ATOM 539 Mg TARG 1 23.918 13.815 0.000 1.050 5.909 > ATOM 540 Mg TARG 1 29.438 13.815 0.000 1.050 5.909 > ATOM 541 Mg TARG 1 1.838 23.025 0.000 1.050 5.909 > ATOM 542 Mg TARG 1 7.358 23.025 0.000 1.050 5.909 > ATOM 543 Mg TARG 1 12.878 23.025 0.000 1.050 5.909 > ATOM 544 Mg TARG 1 18.398 23.025 0.000 1.050 5.909 > ATOM 545 Mg TARG 1 23.918 23.025 0.000 1.050 5.909 > ATOM 546 Mg TARG 1 29.438 23.025 0.000 1.050 5.909 > ATOM 547 Mg TARG 1 1.838 32.235 0.000 1.050 5.909 > ATOM 548 Mg TARG 1 7.358 32.235 0.000 1.050 5.909 > ATOM 549 Mg TARG 1 12.878 32.235 0.000 1.050 5.909 > ATOM 550 Mg TARG 1 18.398 32.235 0.000 1.050 5.909 > ATOM 551 Mg TARG 1 23.918 32.235 0.000 1.050 5.909 > ATOM 552 Mg TARG 1 29.438 32.235 0.000 1.050 5.909 > ATOM 553 Mg TARG 1 -0.822 6.171 0.000 1.050 5.909 > ATOM 554 Mg TARG 1 4.698 6.171 0.000 1.050 5.909 > ATOM 555 Mg TARG 1 10.218 6.171 0.000 1.050 5.909 > ATOM 556 Mg TARG 1 15.738 6.171 0.000 1.050 5.909 > ATOM 557 Mg TARG 1 21.258 6.171 0.000 1.050 5.909 > ATOM 558 Mg TARG 1 26.778 6.171 0.000 1.050 5.909 > ATOM 559 Mg TARG 1 -0.822 15.381 0.000 1.050 5.909 > ATOM 560 Mg TARG 1 4.698 15.381 0.000 1.050 5.909 > ATOM 561 Mg TARG 1 10.218 15.381 0.000 1.050 5.909 > ATOM 562 Mg TARG 1 15.738 15.381 0.000 1.050 5.909 > ATOM 563 Mg TARG 1 21.258 15.381 0.000 1.050 5.909 > ATOM 564 Mg TARG 1 26.778 15.381 0.000 1.050 5.909 > ATOM 565 Mg TARG 1 -0.822 24.591 0.000 1.050 5.909 > ATOM 566 Mg TARG 1 4.698 24.591 0.000 1.050 5.909 > ATOM 567 Mg TARG 1 10.218 24.591 0.000 1.050 5.909 > ATOM 568 Mg TARG 1 15.738 24.591 0.000 1.050 5.909 > ATOM 569 Mg TARG 1 21.258 24.591 0.000 1.050 5.909 > ATOM 570 Mg TARG 1 26.778 24.591 0.000 1.050 5.909 > ATOM 571 Mg TARG 1 -0.822 33.801 0.000 1.050 5.909 > ATOM 572 Mg TARG 1 4.698 33.801 0.000 1.050 5.909 > ATOM 573 Mg TARG 1 10.218 33.801 0.000 1.050 5.909 > ATOM 574 Mg TARG 1 15.738 33.801 0.000 1.050 5.909 > ATOM 575 Mg TARG 1 21.258 33.801 0.000 1.050 5.909 > ATOM 576 Mg TARG 1 26.778 33.801 0.000 1.050 5.909 > ATOM 577 Si TARG 1 2.733 3.039 -2.759 2.100 3.706 > ATOM 578 Si TARG 1 8.253 3.039 -2.759 2.100 3.706 > ATOM 579 Si TARG 1 13.773 3.039 -2.759 2.100 3.706 > ATOM 580 Si TARG 1 19.293 3.039 -2.759 2.100 3.706 > ATOM 581 Si TARG 1 24.813 3.039 -2.759 2.100 3.706 > ATOM 582 Si TARG 1 30.333 3.039 -2.759 2.100 3.706 > ATOM 583 Si TARG 1 2.733 12.249 -2.759 2.100 3.706 > ATOM 584 Si TARG 1 8.253 12.249 -2.759 2.100 3.706 > ATOM 585 Si TARG 1 13.773 12.249 -2.759 2.100 3.706 > ATOM 586 Si TARG 1 19.293 12.249 -2.759 2.100 3.706 > ATOM 587 Si TARG 1 24.813 12.249 -2.759 2.100 3.706 > ATOM 588 Si TARG 1 30.333 12.249 -2.759 2.100 3.706 > ATOM 589 Si TARG 1 2.733 21.459 -2.759 2.100 3.706 > ATOM 590 Si TARG 1 8.253 21.459 -2.759 2.100 3.706 > ATOM 591 Si TARG 1 13.773 21.459 -2.759 2.100 3.706 > ATOM 592 Si TARG 1 19.293 21.459 -2.759 2.100 3.706 > ATOM 593 Si TARG 1 24.813 21.459 -2.759 2.100 3.706 > ATOM 594 Si TARG 1 30.333 21.459 -2.759 2.100 3.706 > ATOM 595 Si TARG 1 2.733 30.669 -2.759 2.100 3.706 > ATOM 596 Si TARG 1 8.253 30.669 -2.759 2.100 3.706 > ATOM 597 Si TARG 1 13.773 30.669 -2.759 2.100 3.706 > ATOM 598 Si TARG 1 19.293 30.669 -2.759 2.100 3.706 > ATOM 599 Si TARG 1 24.813 30.669 -2.759 2.100 3.706 > ATOM 600 Si TARG 1 30.333 30.669 -2.759 2.100 3.706 > ATOM 601 Si TARG 1 0.073 7.644 -2.759 2.100 3.706 > ATOM 602 Si TARG 1 5.593 7.644 -2.759 2.100 3.706 > ATOM 603 Si TARG 1 11.113 7.644 -2.759 2.100 3.706 > ATOM 604 Si TARG 1 16.633 7.644 -2.759 2.100 3.706 > ATOM 605 Si TARG 1 22.153 7.644 -2.759 2.100 3.706 > ATOM 606 Si TARG 1 27.673 7.644 -2.759 2.100 3.706 > ATOM 607 Si TARG 1 0.073 16.854 -2.759 2.100 3.706 > ATOM 608 Si TARG 1 5.593 16.854 -2.759 2.100 3.706 > ATOM 609 Si TARG 1 11.113 16.854 -2.759 2.100 3.706 > ATOM 610 Si TARG 1 16.633 16.854 -2.759 2.100 3.706 > ATOM 611 Si TARG 1 22.153 16.854 -2.759 2.100 3.706 > ATOM 612 Si TARG 1 27.673 16.854 -2.759 2.100 3.706 > ATOM 613 Si TARG 1 0.073 26.064 -2.759 2.100 3.706 > ATOM 614 Si TARG 1 5.593 26.064 -2.759 2.100 3.706 > ATOM 615 Si TARG 1 11.113 26.064 -2.759 2.100 3.706 > ATOM 616 Si TARG 1 16.633 26.064 -2.759 2.100 3.706 > ATOM 617 Si TARG 1 22.153 26.064 -2.759 2.100 3.706 > ATOM 618 Si TARG 1 27.673 26.064 -2.759 2.100 3.706 > ATOM 619 Si TARG 1 0.073 35.274 -2.759 2.100 3.706 > ATOM 620 Si TARG 1 5.593 35.274 -2.759 2.100 3.706 > ATOM 621 Si TARG 1 11.113 35.274 -2.759 2.100 3.706 > ATOM 622 Si TARG 1 16.633 35.274 -2.759 2.100 3.706 > ATOM 623 Si TARG 1 22.153 35.274 -2.759 2.100 3.706 > ATOM 624 Si TARG 1 27.673 35.274 -2.759 2.100 3.706 > ATOM 625 Si TARG 1 2.733 6.171 -2.759 2.100 3.706 > ATOM 626 Si TARG 1 8.253 6.171 -2.759 2.100 3.706 > ATOM 627 Si TARG 1 13.773 6.171 -2.759 2.100 3.706 > ATOM 628 Si TARG 1 19.293 6.171 -2.759 2.100 3.706 > ATOM 629 Si TARG 1 24.813 6.171 -2.759 2.100 3.706 > ATOM 630 Si TARG 1 30.333 6.171 -2.759 2.100 3.706 > ATOM 631 Si TARG 1 2.733 15.381 -2.759 2.100 3.706 > ATOM 632 Si TARG 1 8.253 15.381 -2.759 2.100 3.706 > ATOM 633 Si TARG 1 13.773 15.381 -2.759 2.100 3.706 > ATOM 634 Si TARG 1 19.293 15.381 -2.759 2.100 3.706 > ATOM 635 Si TARG 1 24.813 15.381 -2.759 2.100 3.706 > ATOM 636 Si TARG 1 30.333 15.381 -2.759 2.100 3.706 > ATOM 637 Si TARG 1 2.733 24.591 -2.759 2.100 3.706 > ATOM 638 Si TARG 1 8.253 24.591 -2.759 2.100 3.706 > ATOM 639 Si TARG 1 13.773 24.591 -2.759 2.100 3.706 > ATOM 640 Si TARG 1 19.293 24.591 -2.759 2.100 3.706 > ATOM 641 Si TARG 1 24.813 24.591 -2.759 2.100 3.706 > ATOM 642 Si TARG 1 30.333 24.591 -2.759 2.100 3.706 > ATOM 643 Si TARG 1 2.733 33.801 -2.759 2.100 3.706 > ATOM 644 Si TARG 1 8.253 33.801 -2.759 2.100 3.706 > ATOM 645 Si TARG 1 13.773 33.801 -2.759 2.100 3.706 > ATOM 646 Si TARG 1 19.293 33.801 -2.759 2.100 3.706 > ATOM 647 Si TARG 1 24.813 33.801 -2.759 2.100 3.706 > ATOM 648 Si TARG 1 30.333 33.801 -2.759 2.100 3.706 > ATOM 649 Si TARG 1 0.073 1.566 -2.759 2.100 3.706 > ATOM 650 Si TARG 1 5.593 1.566 -2.759 2.100 3.706 > ATOM 651 Si TARG 1 11.113 1.566 -2.759 2.100 3.706 > ATOM 652 Si TARG 1 16.633 1.566 -2.759 2.100 3.706 > ATOM 653 Si TARG 1 22.153 1.566 -2.759 2.100 3.706 > ATOM 654 Si TARG 1 27.673 1.566 -2.759 2.100 3.706 > ATOM 655 Si TARG 1 0.073 10.776 -2.759 2.100 3.706 > ATOM 656 Si TARG 1 5.593 10.776 -2.759 2.100 3.706 > ATOM 657 Si TARG 1 11.113 10.776 -2.759 2.100 3.706 > ATOM 658 Si TARG 1 16.633 10.776 -2.759 2.100 3.706 > ATOM 659 Si TARG 1 22.153 10.776 -2.759 2.100 3.706 > ATOM 660 Si TARG 1 27.673 10.776 -2.759 2.100 3.706 > ATOM 661 Si TARG 1 0.073 19.986 -2.759 2.100 3.706 > ATOM 662 Si TARG 1 5.593 19.986 -2.759 2.100 3.706 > ATOM 663 Si TARG 1 11.113 19.986 -2.759 2.100 3.706 > ATOM 664 Si TARG 1 16.633 19.986 -2.759 2.100 3.706 > ATOM 665 Si TARG 1 22.153 19.986 -2.759 2.100 3.706 > ATOM 666 Si TARG 1 27.673 19.986 -2.759 2.100 3.706 > ATOM 667 Si TARG 1 0.073 29.196 -2.759 2.100 3.706 > ATOM 668 Si TARG 1 5.593 29.196 -2.759 2.100 3.706 > ATOM 669 Si TARG 1 11.113 29.196 -2.759 2.100 3.706 > ATOM 670 Si TARG 1 16.633 29.196 -2.759 2.100 3.706 > ATOM 671 Si TARG 1 22.153 29.196 -2.759 2.100 3.706 > ATOM 672 Si TARG 1 27.673 29.196 -2.759 2.100 3.706 > ATOM 673 O TARG 1 0.073 0.000 -3.350 -1.050 3.553 > ATOM 674 O TARG 1 5.593 0.000 -3.350 -1.050 3.553 > ATOM 675 O TARG 1 11.113 0.000 -3.350 -1.050 3.553 > ATOM 676 O TARG 1 16.633 0.000 -3.350 -1.050 3.553 > ATOM 677 O TARG 1 22.153 0.000 -3.350 -1.050 3.553 > ATOM 678 O TARG 1 27.673 0.000 -3.350 -1.050 3.553 > ATOM 679 O TARG 1 0.073 9.210 -3.350 -1.050 3.553 > ATOM 680 O TARG 1 5.593 9.210 -3.350 -1.050 3.553 > ATOM 681 O TARG 1 11.113 9.210 -3.350 -1.050 3.553 > ATOM 682 O TARG 1 16.633 9.210 -3.350 -1.050 3.553 > ATOM 683 O TARG 1 22.153 9.210 -3.350 -1.050 3.553 > ATOM 684 O TARG 1 27.673 9.210 -3.350 -1.050 3.553 > ATOM 685 O TARG 1 0.073 18.420 -3.350 -1.050 3.553 > ATOM 686 O TARG 1 5.593 18.420 -3.350 -1.050 3.553 > ATOM 687 O TARG 1 11.113 18.420 -3.350 -1.050 3.553 > ATOM 688 O TARG 1 16.633 18.420 -3.350 -1.050 3.553 > ATOM 689 O TARG 1 22.153 18.420 -3.350 -1.050 3.553 > ATOM 690 O TARG 1 27.673 18.420 -3.350 -1.050 3.553 > ATOM 691 O TARG 1 0.073 27.630 -3.350 -1.050 3.553 > ATOM 692 O TARG 1 5.593 27.630 -3.350 -1.050 3.553 > ATOM 693 O TARG 1 11.113 27.630 -3.350 -1.050 3.553 > ATOM 694 O TARG 1 16.633 27.630 -3.350 -1.050 3.553 > ATOM 695 O TARG 1 22.153 27.630 -3.350 -1.050 3.553 > ATOM 696 O TARG 1 27.673 27.630 -3.350 -1.050 3.553 > ATOM 697 O TARG 1 2.733 4.605 -3.350 -1.050 3.553 > ATOM 698 O TARG 1 8.253 4.605 -3.350 -1.050 3.553 > ATOM 699 O TARG 1 13.773 4.605 -3.350 -1.050 3.553 > ATOM 700 O TARG 1 19.293 4.605 -3.350 -1.050 3.553 > ATOM 701 O TARG 1 24.813 4.605 -3.350 -1.050 3.553 > ATOM 702 O TARG 1 30.333 4.605 -3.350 -1.050 3.553 > ATOM 703 O TARG 1 2.733 13.815 -3.350 -1.050 3.553 > ATOM 704 O TARG 1 8.253 13.815 -3.350 -1.050 3.553 > ATOM 705 O TARG 1 13.773 13.815 -3.350 -1.050 3.553 > ATOM 706 O TARG 1 19.293 13.815 -3.350 -1.050 3.553 > ATOM 707 O TARG 1 24.813 13.815 -3.350 -1.050 3.553 > ATOM 708 O TARG 1 30.333 13.815 -3.350 -1.050 3.553 > ATOM 709 O TARG 1 2.733 23.025 -3.350 -1.050 3.553 > ATOM 710 O TARG 1 8.253 23.025 -3.350 -1.050 3.553 > ATOM 711 O TARG 1 13.773 23.025 -3.350 -1.050 3.553 > ATOM 712 O TARG 1 19.293 23.025 -3.350 -1.050 3.553 > ATOM 713 O TARG 1 24.813 23.025 -3.350 -1.050 3.553 > ATOM 714 O TARG 1 30.333 23.025 -3.350 -1.050 3.553 > ATOM 715 O TARG 1 2.733 32.235 -3.350 -1.050 3.553 > ATOM 716 O TARG 1 8.253 32.235 -3.350 -1.050 3.553 > ATOM 717 O TARG 1 13.773 32.235 -3.350 -1.050 3.553 > ATOM 718 O TARG 1 19.293 32.235 -3.350 -1.050 3.553 > ATOM 719 O TARG 1 24.813 32.235 -3.350 -1.050 3.553 > ATOM 720 O TARG 1 30.333 32.235 -3.350 -1.050 3.553 > ATOM 721 O TARG 1 4.063 2.303 -3.350 -1.050 3.553 > ATOM 722 O TARG 1 9.583 2.303 -3.350 -1.050 3.553 > ATOM 723 O TARG 1 15.103 2.303 -3.350 -1.050 3.553 > ATOM 724 O TARG 1 20.623 2.303 -3.350 -1.050 3.553 > ATOM 725 O TARG 1 26.143 2.303 -3.350 -1.050 3.553 > ATOM 726 O TARG 1 31.663 2.303 -3.350 -1.050 3.553 > ATOM 727 O TARG 1 4.063 11.513 -3.350 -1.050 3.553 > ATOM 728 O TARG 1 9.583 11.513 -3.350 -1.050 3.553 > ATOM 729 O TARG 1 15.103 11.513 -3.350 -1.050 3.553 > ATOM 730 O TARG 1 20.623 11.513 -3.350 -1.050 3.553 > ATOM 731 O TARG 1 26.143 11.513 -3.350 -1.050 3.553 > ATOM 732 O TARG 1 31.663 11.513 -3.350 -1.050 3.553 > ATOM 733 O TARG 1 4.063 20.723 -3.350 -1.050 3.553 > ATOM 734 O TARG 1 9.583 20.723 -3.350 -1.050 3.553 > ATOM 735 O TARG 1 15.103 20.723 -3.350 -1.050 3.553 > ATOM 736 O TARG 1 20.623 20.723 -3.350 -1.050 3.553 > ATOM 737 O TARG 1 26.143 20.723 -3.350 -1.050 3.553 > ATOM 738 O TARG 1 31.663 20.723 -3.350 -1.050 3.553 > ATOM 739 O TARG 1 4.063 29.933 -3.350 -1.050 3.553 > ATOM 740 O TARG 1 9.583 29.933 -3.350 -1.050 3.553 > ATOM 741 O TARG 1 15.103 29.933 -3.350 -1.050 3.553 > ATOM 742 O TARG 1 20.623 29.933 -3.350 -1.050 3.553 > ATOM 743 O TARG 1 26.143 29.933 -3.350 -1.050 3.553 > ATOM 744 O TARG 1 31.663 29.933 -3.350 -1.050 3.553 > ATOM 745 O TARG 1 1.403 6.908 -3.350 -1.050 3.553 > ATOM 746 O TARG 1 6.923 6.908 -3.350 -1.050 3.553 > ATOM 747 O TARG 1 12.443 6.908 -3.350 -1.050 3.553 > ATOM 748 O TARG 1 17.963 6.908 -3.350 -1.050 3.553 > ATOM 749 O TARG 1 23.483 6.908 -3.350 -1.050 3.553 > ATOM 750 O TARG 1 29.003 6.908 -3.350 -1.050 3.553 > ATOM 751 O TARG 1 1.403 16.118 -3.350 -1.050 3.553 > ATOM 752 O TARG 1 6.923 16.118 -3.350 -1.050 3.553 > ATOM 753 O TARG 1 12.443 16.118 -3.350 -1.050 3.553 > ATOM 754 O TARG 1 17.963 16.118 -3.350 -1.050 3.553 > ATOM 755 O TARG 1 23.483 16.118 -3.350 -1.050 3.553 > ATOM 756 O TARG 1 29.003 16.118 -3.350 -1.050 3.553 > ATOM 757 O TARG 1 1.403 25.328 -3.350 -1.050 3.553 > ATOM 758 O TARG 1 6.923 25.328 -3.350 -1.050 3.553 > ATOM 759 O TARG 1 12.443 25.328 -3.350 -1.050 3.553 > ATOM 760 O TARG 1 17.963 25.328 -3.350 -1.050 3.553 > ATOM 761 O TARG 1 23.483 25.328 -3.350 -1.050 3.553 > ATOM 762 O TARG 1 29.003 25.328 -3.350 -1.050 3.553 > ATOM 763 O TARG 1 1.403 34.538 -3.350 -1.050 3.553 > ATOM 764 O TARG 1 6.923 34.538 -3.350 -1.050 3.553 > ATOM 765 O TARG 1 12.443 34.538 -3.350 -1.050 3.553 > ATOM 766 O TARG 1 17.963 34.538 -3.350 -1.050 3.553 > ATOM 767 O TARG 1 23.483 34.538 -3.350 -1.050 3.553 > ATOM 768 O TARG 1 29.003 34.538 -3.350 -1.050 3.553 > ATOM 769 O TARG 1 4.063 6.908 -3.350 -1.050 3.553 > ATOM 770 O TARG 1 9.583 6.908 -3.350 -1.050 3.553 > ATOM 771 O TARG 1 15.103 6.908 -3.350 -1.050 3.553 > ATOM 772 O TARG 1 20.623 6.908 -3.350 -1.050 3.553 > ATOM 773 O TARG 1 26.143 6.908 -3.350 -1.050 3.553 > ATOM 774 O TARG 1 31.663 6.908 -3.350 -1.050 3.553 > ATOM 775 O TARG 1 4.063 16.118 -3.350 -1.050 3.553 > ATOM 776 O TARG 1 9.583 16.118 -3.350 -1.050 3.553 > ATOM 777 O TARG 1 15.103 16.118 -3.350 -1.050 3.553 > ATOM 778 O TARG 1 20.623 16.118 -3.350 -1.050 3.553 > ATOM 779 O TARG 1 26.143 16.118 -3.350 -1.050 3.553 > ATOM 780 O TARG 1 31.663 16.118 -3.350 -1.050 3.553 > ATOM 781 O TARG 1 4.063 25.328 -3.350 -1.050 3.553 > ATOM 782 O TARG 1 9.583 25.328 -3.350 -1.050 3.553 > ATOM 783 O TARG 1 15.103 25.328 -3.350 -1.050 3.553 > ATOM 784 O TARG 1 20.623 25.328 -3.350 -1.050 3.553 > ATOM 785 O TARG 1 26.143 25.328 -3.350 -1.050 3.553 > ATOM 786 O TARG 1 31.663 25.328 -3.350 -1.050 3.553 > ATOM 787 O TARG 1 4.063 34.538 -3.350 -1.050 3.553 > ATOM 788 O TARG 1 9.583 34.538 -3.350 -1.050 3.553 > ATOM 789 O TARG 1 15.103 34.538 -3.350 -1.050 3.553 > ATOM 790 O TARG 1 20.623 34.538 -3.350 -1.050 3.553 > ATOM 791 O TARG 1 26.143 34.538 -3.350 -1.050 3.553 > ATOM 792 O TARG 1 31.663 34.538 -3.350 -1.050 3.553 > ATOM 793 O TARG 1 1.403 2.303 -3.350 -1.050 3.553 > ATOM 794 O TARG 1 6.923 2.303 -3.350 -1.050 3.553 > ATOM 795 O TARG 1 12.443 2.303 -3.350 -1.050 3.553 > ATOM 796 O TARG 1 17.963 2.303 -3.350 -1.050 3.553 > ATOM 797 O TARG 1 23.483 2.303 -3.350 -1.050 3.553 > ATOM 798 O TARG 1 29.003 2.303 -3.350 -1.050 3.553 > ATOM 799 O TARG 1 1.403 11.513 -3.350 -1.050 3.553 > ATOM 800 O TARG 1 6.923 11.513 -3.350 -1.050 3.553 > ATOM 801 O TARG 1 12.443 11.513 -3.350 -1.050 3.553 > ATOM 802 O TARG 1 17.963 11.513 -3.350 -1.050 3.553 > ATOM 803 O TARG 1 23.483 11.513 -3.350 -1.050 3.553 > ATOM 804 O TARG 1 29.003 11.513 -3.350 -1.050 3.553 > ATOM 805 O TARG 1 1.403 20.723 -3.350 -1.050 3.553 > ATOM 806 O TARG 1 6.923 20.723 -3.350 -1.050 3.553 > ATOM 807 O TARG 1 12.443 20.723 -3.350 -1.050 3.553 > ATOM 808 O TARG 1 17.963 20.723 -3.350 -1.050 3.553 > ATOM 809 O TARG 1 23.483 20.723 -3.350 -1.050 3.553 > ATOM 810 O TARG 1 29.003 20.723 -3.350 -1.050 3.553 > ATOM 811 O TARG 1 1.403 29.933 -3.350 -1.050 3.553 > ATOM 812 O TARG 1 6.923 29.933 -3.350 -1.050 3.553 > ATOM 813 O TARG 1 12.443 29.933 -3.350 -1.050 3.553 > ATOM 814 O TARG 1 17.963 29.933 -3.350 -1.050 3.553 > ATOM 815 O TARG 1 23.483 29.933 -3.350 -1.050 3.553 > ATOM 816 O TARG 1 29.003 29.933 -3.350 -1.050 3.553 > ATOM 817 O TARG 1 2.742 3.039 -1.183 -1.050 3.553 > ATOM 818 O TARG 1 8.262 3.039 -1.183 -1.050 3.553 > ATOM 819 O TARG 1 13.782 3.039 -1.183 -1.050 3.553 > ATOM 820 O TARG 1 19.302 3.039 -1.183 -1.050 3.553 > ATOM 821 O TARG 1 24.822 3.039 -1.183 -1.050 3.553 > ATOM 822 O TARG 1 30.342 3.039 -1.183 -1.050 3.553 > ATOM 823 O TARG 1 2.742 12.249 -1.183 -1.050 3.553 > ATOM 824 O TARG 1 8.262 12.249 -1.183 -1.050 3.553 > ATOM 825 O TARG 1 13.782 12.249 -1.183 -1.050 3.553 > ATOM 826 O TARG 1 19.302 12.249 -1.183 -1.050 3.553 > ATOM 827 O TARG 1 24.822 12.249 -1.183 -1.050 3.553 > ATOM 828 O TARG 1 30.342 12.249 -1.183 -1.050 3.553 > ATOM 829 O TARG 1 2.742 21.459 -1.183 -1.050 3.553 > ATOM 830 O TARG 1 8.262 21.459 -1.183 -1.050 3.553 > ATOM 831 O TARG 1 13.782 21.459 -1.183 -1.050 3.553 > ATOM 832 O TARG 1 19.302 21.459 -1.183 -1.050 3.553 > ATOM 833 O TARG 1 24.822 21.459 -1.183 -1.050 3.553 > ATOM 834 O TARG 1 30.342 21.459 -1.183 -1.050 3.553 > ATOM 835 O TARG 1 2.742 30.669 -1.183 -1.050 3.553 > ATOM 836 O TARG 1 8.262 30.669 -1.183 -1.050 3.553 > ATOM 837 O TARG 1 13.782 30.669 -1.183 -1.050 3.553 > ATOM 838 O TARG 1 19.302 30.669 -1.183 -1.050 3.553 > ATOM 839 O TARG 1 24.8... [truncated message content] |
From: Eric F. <eri...@un...> - 2010-08-26 14:59:44
Attachments:
Image1.jpg
|
Hi , As attached document you'll find a picture to illustrate the problem. On the left the structure (30*30 angstroems) that I am interested in describing its surface properties. On the right the result of APBS calculation (blue= -30kT/e; orange= 30kT/e). As you'll see, a diagonal of the square separates two huge bumps (that fall out of the apbs calculation window) with one positive and the other negative. I do not have any idea to avoid this problem in order to get a nice surface picture. When trying to perform calculation with a structure having disc shape, I get the same problem. Thanks for your help, Eric Baker, Nathan a écrit : > Hi Eric -- > > Could you send an image to illustrate the problem? > > Thanks, > > __________________________________________________ > Nathan Baker > Chief Scientist for Signature Science > Pacific Northwest National Laboratory > > > >> -----Original Message----- >> From: Eric Ferrage [mailto:eri...@un...] >> Sent: Thursday, August 19, 2010 8:41 AM >> To: apb...@li... >> Subject: [Apbs-users] Problem when calculating isocontour surface of a mineral >> >> Hi, >> I am trying to represent an isocontour volume of a layered mineral. I >> modified a pqr file to enter the coordinates, radius and atomic charges >> of all atoms (see below). The structure is displayed with 1008 atoms, >> the total charge is neutral. Although this seems okay when I display the >> structure under VMD as CPK model, the isocontour surface calculated is >> weird, like cutting the structure in two along a diagonal and I do not >> understand why. I wonder if the problem is related to the bondary >> conditions and especially to the distribution of atoms at the edges of >> the structure ? Does anyone could give me some track? >> Many thanks for your help ! >> Eric >> >> >> --------------------------------------------------------- >> >> >> >> ------------------------------------------------------------------------------ >> This SF.net email is sponsored by >> >> Make an app they can't live without >> Enter the BlackBerry Developer Challenge >> http://p.sf.net/sfu/RIM-dev2dev >> _______________________________________________ >> apbs-users mailing list >> apb...@li... >> https://lists.sourceforge.net/lists/listinfo/apbs-users >> > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by > > Make an app they can't live without > Enter the BlackBerry Developer Challenge > http://p.sf.net/sfu/RIM-dev2dev > _______________________________________________ > apbs-users mailing list > apb...@li... > https://lists.sourceforge.net/lists/listinfo/apbs-users > > > |