USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= -0.129 USER MOD Single : A 24 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 10.424 3.269 5.940 1.00 0.00 O ATOM 2 C5' DG A 1 9.366 2.507 5.352 1.00 0.00 C ATOM 3 C4' DG A 1 9.337 2.664 3.833 1.00 0.00 C ATOM 4 O4' DG A 1 8.067 2.190 3.288 1.00 0.00 O ATOM 5 C3' DG A 1 9.497 4.130 3.428 1.00 0.00 C ATOM 6 O3' DG A 1 10.604 4.247 2.531 1.00 0.00 O ATOM 7 C2' DG A 1 8.224 4.507 2.748 1.00 0.00 C ATOM 8 C1' DG A 1 7.568 3.204 2.382 1.00 0.00 C ATOM 9 N9 DG A 1 6.105 3.325 2.450 1.00 0.00 N ATOM 10 C8 DG A 1 5.331 3.859 3.419 1.00 0.00 C ATOM 11 N7 DG A 1 4.055 3.878 3.226 1.00 0.00 N ATOM 12 C5 DG A 1 3.953 3.282 1.964 1.00 0.00 C ATOM 13 C6 DG A 1 2.804 3.007 1.176 1.00 0.00 C ATOM 14 O6 DG A 1 1.626 3.238 1.439 1.00 0.00 O ATOM 15 N1 DG A 1 3.145 2.403 -0.027 1.00 0.00 N ATOM 16 C2 DG A 1 4.429 2.097 -0.427 1.00 0.00 C ATOM 17 N2 DG A 1 4.552 1.520 -1.622 1.00 0.00 N ATOM 18 N3 DG A 1 5.514 2.351 0.309 1.00 0.00 N ATOM 19 C4 DG A 1 5.207 2.941 1.484 1.00 0.00 C ATOM 0 H5' DG A 1 8.411 2.826 5.770 1.00 0.00 H new ATOM 0 H5'' DG A 1 9.489 1.455 5.607 1.00 0.00 H new ATOM 0 H4' DG A 1 10.164 2.075 3.437 1.00 0.00 H new ATOM 0 H3' DG A 1 9.689 4.781 4.281 1.00 0.00 H new ATOM 0 H2' DG A 1 7.586 5.097 3.406 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.416 5.113 1.863 1.00 0.00 H new ATOM 0 HO5' DG A 1 10.413 3.148 6.912 1.00 0.00 H new ATOM 0 H1' DG A 1 7.809 2.925 1.356 1.00 0.00 H new ATOM 0 H8 DG A 1 5.765 4.257 4.325 1.00 0.00 H new ATOM 0 H1 DG A 1 2.386 2.167 -0.666 1.00 0.00 H new ATOM 0 H21 DG A 1 5.476 1.269 -1.975 1.00 0.00 H new ATOM 0 H22 DG A 1 3.722 1.329 -2.184 1.00 0.00 H new ATOM 32 P DG A 2 11.207 5.688 2.155 1.00 0.00 P ATOM 33 OP1 DG A 2 12.682 5.617 2.251 1.00 0.00 O ATOM 34 OP2 DG A 2 10.464 6.718 2.916 1.00 0.00 O ATOM 35 O5' DG A 2 10.805 5.817 0.600 1.00 0.00 O ATOM 36 C5' DG A 2 10.838 4.660 -0.243 1.00 0.00 C ATOM 37 C4' DG A 2 9.983 4.834 -1.500 1.00 0.00 C ATOM 38 O4' DG A 2 8.574 4.594 -1.216 1.00 0.00 O ATOM 39 C3' DG A 2 10.110 6.245 -2.074 1.00 0.00 C ATOM 40 O3' DG A 2 10.727 6.159 -3.362 1.00 0.00 O ATOM 41 C2' DG A 2 8.710 6.773 -2.181 1.00 0.00 C ATOM 42 C1' DG A 2 7.812 5.586 -1.943 1.00 0.00 C ATOM 43 N9 DG A 2 6.598 5.980 -1.208 1.00 0.00 N ATOM 44 C8 DG A 2 6.467 6.496 0.037 1.00 0.00 C ATOM 45 N7 DG A 2 5.272 6.771 0.448 1.00 0.00 N ATOM 46 C5 DG A 2 4.499 6.394 -0.656 1.00 0.00 C ATOM 47 C6 DG A 2 3.089 6.447 -0.846 1.00 0.00 C ATOM 48 O6 DG A 2 2.229 6.843 -0.062 1.00 0.00 O ATOM 49 N1 DG A 2 2.725 5.972 -2.102 1.00 0.00 N ATOM 50 C2 DG A 2 3.603 5.505 -3.059 1.00 0.00 C ATOM 51 N2 DG A 2 3.060 5.091 -4.204 1.00 0.00 N ATOM 52 N3 DG A 2 4.927 5.452 -2.888 1.00 0.00 N ATOM 53 C4 DG A 2 5.305 5.909 -1.673 1.00 0.00 C ATOM 0 H5' DG A 2 10.485 3.794 0.317 1.00 0.00 H new ATOM 0 H5'' DG A 2 11.868 4.453 -0.533 1.00 0.00 H new ATOM 0 H4' DG A 2 10.350 4.106 -2.224 1.00 0.00 H new ATOM 0 H3' DG A 2 10.719 6.902 -1.453 1.00 0.00 H new ATOM 0 H2' DG A 2 8.529 7.556 -1.445 1.00 0.00 H new ATOM 0 H2'' DG A 2 8.530 7.211 -3.163 1.00 0.00 H new ATOM 0 H1' DG A 2 7.476 5.170 -2.893 1.00 0.00 H new ATOM 0 H8 DG A 2 7.329 6.671 0.664 1.00 0.00 H new ATOM 0 H1 DG A 2 1.732 5.969 -2.334 1.00 0.00 H new ATOM 0 H21 DG A 2 3.656 4.735 -4.951 1.00 0.00 H new ATOM 0 H22 DG A 2 2.049 5.131 -4.333 1.00 0.00 H new ATOM 65 P DA A 3 11.305 7.468 -4.096 1.00 0.00 P ATOM 66 OP1 DA A 3 12.776 7.483 -3.930 1.00 0.00 O ATOM 67 OP2 DA A 3 10.501 8.635 -3.668 1.00 0.00 O ATOM 68 O5' DA A 3 10.974 7.167 -5.646 1.00 0.00 O ATOM 69 C5' DA A 3 9.714 6.600 -6.030 1.00 0.00 C ATOM 70 C4' DA A 3 9.892 5.281 -6.779 1.00 0.00 C ATOM 71 O4' DA A 3 10.375 4.239 -5.883 1.00 0.00 O ATOM 72 C3' DA A 3 8.572 4.806 -7.373 1.00 0.00 C ATOM 73 O3' DA A 3 8.499 5.170 -8.753 1.00 0.00 O ATOM 74 C2' DA A 3 8.574 3.327 -7.196 1.00 0.00 C ATOM 75 C1' DA A 3 9.546 3.057 -6.062 1.00 0.00 C ATOM 76 N9 DA A 3 8.821 2.758 -4.808 1.00 0.00 N ATOM 77 C8 DA A 3 7.564 3.101 -4.433 1.00 0.00 C ATOM 78 N7 DA A 3 7.179 2.761 -3.249 1.00 0.00 N ATOM 79 C5 DA A 3 8.313 2.106 -2.762 1.00 0.00 C ATOM 80 C6 DA A 3 8.595 1.488 -1.540 1.00 0.00 C ATOM 81 N6 DA A 3 7.723 1.434 -0.534 1.00 0.00 N ATOM 82 N1 DA A 3 9.813 0.939 -1.391 1.00 0.00 N ATOM 83 C2 DA A 3 10.704 0.994 -2.383 1.00 0.00 C ATOM 84 N3 DA A 3 10.544 1.555 -3.578 1.00 0.00 N ATOM 85 C4 DA A 3 9.317 2.098 -3.704 1.00 0.00 C ATOM 0 H5' DA A 3 9.174 7.306 -6.661 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.104 6.435 -5.142 1.00 0.00 H new ATOM 0 H4' DA A 3 10.615 5.463 -7.574 1.00 0.00 H new ATOM 0 H3' DA A 3 7.706 5.258 -6.889 1.00 0.00 H new ATOM 0 H2' DA A 3 7.577 2.959 -6.954 1.00 0.00 H new ATOM 0 H2'' DA A 3 8.887 2.823 -8.110 1.00 0.00 H new ATOM 0 H1' DA A 3 10.162 2.192 -6.308 1.00 0.00 H new ATOM 0 H8 DA A 3 6.908 3.640 -5.101 1.00 0.00 H new ATOM 0 H61 DA A 3 7.978 0.971 0.338 1.00 0.00 H new ATOM 0 H62 DA A 3 6.800 1.856 -0.636 1.00 0.00 H new ATOM 0 H2 DA A 3 11.662 0.531 -2.194 1.00 0.00 H new ATOM 97 P DG A 4 7.069 5.394 -9.460 1.00 0.00 P ATOM 98 OP1 DG A 4 7.233 5.185 -10.915 1.00 0.00 O ATOM 99 OP2 DG A 4 6.499 6.664 -8.956 1.00 0.00 O ATOM 100 O5' DG A 4 6.187 4.178 -8.871 1.00 0.00 O ATOM 101 C5' DG A 4 5.637 3.188 -9.747 1.00 0.00 C ATOM 102 C4' DG A 4 4.119 3.074 -9.595 1.00 0.00 C ATOM 103 O4' DG A 4 3.770 2.248 -8.450 1.00 0.00 O ATOM 104 C3' DG A 4 3.471 4.443 -9.397 1.00 0.00 C ATOM 105 O3' DG A 4 2.638 4.737 -10.521 1.00 0.00 O ATOM 106 C2' DG A 4 2.663 4.342 -8.141 1.00 0.00 C ATOM 107 C1' DG A 4 2.649 2.877 -7.786 1.00 0.00 C ATOM 108 N9 DG A 4 2.720 2.685 -6.327 1.00 0.00 N ATOM 109 C8 DG A 4 3.800 2.498 -5.529 1.00 0.00 C ATOM 110 N7 DG A 4 3.590 2.332 -4.267 1.00 0.00 N ATOM 111 C5 DG A 4 2.196 2.418 -4.196 1.00 0.00 C ATOM 112 C6 DG A 4 1.334 2.315 -3.072 1.00 0.00 C ATOM 113 O6 DG A 4 1.633 2.121 -1.898 1.00 0.00 O ATOM 114 N1 DG A 4 0.003 2.459 -3.435 1.00 0.00 N ATOM 115 C2 DG A 4 -0.452 2.676 -4.719 1.00 0.00 C ATOM 116 N2 DG A 4 -1.772 2.798 -4.861 1.00 0.00 N ATOM 117 N3 DG A 4 0.351 2.773 -5.785 1.00 0.00 N ATOM 118 C4 DG A 4 1.656 2.635 -5.454 1.00 0.00 C ATOM 0 H5' DG A 4 6.097 2.222 -9.538 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.881 3.440 -10.779 1.00 0.00 H new ATOM 0 H4' DG A 4 3.750 2.621 -10.515 1.00 0.00 H new ATOM 0 H3' DG A 4 4.207 5.242 -9.316 1.00 0.00 H new ATOM 0 H2' DG A 4 3.106 4.935 -7.341 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.651 4.718 -8.294 1.00 0.00 H new ATOM 0 H1' DG A 4 1.716 2.421 -8.118 1.00 0.00 H new ATOM 0 H8 DG A 4 4.801 2.488 -5.935 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.695 2.400 -2.693 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.173 2.960 -5.785 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.381 2.730 -4.046 1.00 0.00 H new ATOM 130 P DG A 5 2.081 6.228 -10.756 1.00 0.00 P ATOM 131 OP1 DG A 5 2.077 6.498 -12.211 1.00 0.00 O ATOM 132 OP2 DG A 5 2.795 7.142 -9.837 1.00 0.00 O ATOM 133 O5' DG A 5 0.554 6.103 -10.261 1.00 0.00 O ATOM 134 C5' DG A 5 -0.202 4.922 -10.548 1.00 0.00 C ATOM 135 C4' DG A 5 -1.524 4.892 -9.780 1.00 0.00 C ATOM 136 O4' DG A 5 -1.323 4.445 -8.411 1.00 0.00 O ATOM 137 C3' DG A 5 -2.165 6.277 -9.732 1.00 0.00 C ATOM 138 O3' DG A 5 -3.397 6.241 -10.462 1.00 0.00 O ATOM 139 C2' DG A 5 -2.401 6.575 -8.287 1.00 0.00 C ATOM 140 C1' DG A 5 -2.125 5.290 -7.552 1.00 0.00 C ATOM 141 N9 DG A 5 -1.422 5.568 -6.300 1.00 0.00 N ATOM 142 C8 DG A 5 -0.136 5.921 -6.108 1.00 0.00 C ATOM 143 N7 DG A 5 0.256 6.113 -4.891 1.00 0.00 N ATOM 144 C5 DG A 5 -0.921 5.858 -4.173 1.00 0.00 C ATOM 145 C6 DG A 5 -1.166 5.899 -2.772 1.00 0.00 C ATOM 146 O6 DG A 5 -0.380 6.170 -1.867 1.00 0.00 O ATOM 147 N1 DG A 5 -2.489 5.577 -2.478 1.00 0.00 N ATOM 148 C2 DG A 5 -3.455 5.257 -3.409 1.00 0.00 C ATOM 149 N2 DG A 5 -4.670 4.991 -2.930 1.00 0.00 N ATOM 150 N3 DG A 5 -3.230 5.215 -4.724 1.00 0.00 N ATOM 151 C4 DG A 5 -1.952 5.525 -5.034 1.00 0.00 C ATOM 0 H5' DG A 5 0.387 4.042 -10.291 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.402 4.870 -11.618 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.178 4.198 -10.308 1.00 0.00 H new ATOM 0 H3' DG A 5 -1.537 7.047 -10.180 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.744 7.373 -7.940 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.425 6.909 -8.119 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.059 4.786 -7.305 1.00 0.00 H new ATOM 0 H8 DG A 5 0.542 6.039 -6.940 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.765 5.578 -1.496 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.428 4.748 -3.568 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.842 5.031 -1.925 1.00 0.00 H new ATOM 163 P DA A 6 -4.157 7.596 -10.881 1.00 0.00 P ATOM 164 OP1 DA A 6 -3.836 7.890 -12.295 1.00 0.00 O ATOM 165 OP2 DA A 6 -3.902 8.613 -9.837 1.00 0.00 O ATOM 166 O5' DA A 6 -5.708 7.160 -10.795 1.00 0.00 O ATOM 167 C5' DA A 6 -6.290 6.755 -9.548 1.00 0.00 C ATOM 168 C4' DA A 6 -7.067 5.445 -9.684 1.00 0.00 C ATOM 169 O4' DA A 6 -6.236 4.402 -10.268 1.00 0.00 O ATOM 170 C3' DA A 6 -7.549 4.944 -8.330 1.00 0.00 C ATOM 171 O3' DA A 6 -8.904 5.340 -8.112 1.00 0.00 O ATOM 172 C2' DA A 6 -7.421 3.458 -8.393 1.00 0.00 C ATOM 173 C1' DA A 6 -6.408 3.185 -9.490 1.00 0.00 C ATOM 174 N9 DA A 6 -5.106 2.752 -8.930 1.00 0.00 N ATOM 175 C8 DA A 6 -4.624 2.842 -7.662 1.00 0.00 C ATOM 176 N7 DA A 6 -3.430 2.410 -7.444 1.00 0.00 N ATOM 177 C5 DA A 6 -3.051 1.973 -8.716 1.00 0.00 C ATOM 178 C6 DA A 6 -1.876 1.394 -9.204 1.00 0.00 C ATOM 179 N6 DA A 6 -0.815 1.147 -8.438 1.00 0.00 N ATOM 180 N1 DA A 6 -1.835 1.086 -10.512 1.00 0.00 N ATOM 181 C2 DA A 6 -2.887 1.331 -11.296 1.00 0.00 C ATOM 182 N3 DA A 6 -4.047 1.877 -10.939 1.00 0.00 N ATOM 183 C4 DA A 6 -4.064 2.177 -9.625 1.00 0.00 C ATOM 0 H5' DA A 6 -6.957 7.538 -9.187 1.00 0.00 H new ATOM 0 H5'' DA A 6 -5.505 6.636 -8.802 1.00 0.00 H new ATOM 0 H4' DA A 6 -7.919 5.656 -10.330 1.00 0.00 H new ATOM 0 H3' DA A 6 -6.970 5.356 -7.504 1.00 0.00 H new ATOM 0 H2' DA A 6 -7.085 3.052 -7.439 1.00 0.00 H new ATOM 0 H2'' DA A 6 -8.380 2.991 -8.619 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.776 2.376 -10.122 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.221 3.261 -6.865 1.00 0.00 H new ATOM 0 H61 DA A 6 0.019 0.722 -8.844 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.836 1.382 -7.446 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.786 1.056 -12.335 1.00 0.00 H new ATOM 195 P DG A 7 -9.534 5.253 -6.634 1.00 0.00 P ATOM 196 OP1 DG A 7 -10.961 4.880 -6.759 1.00 0.00 O ATOM 197 OP2 DG A 7 -9.152 6.478 -5.895 1.00 0.00 O ATOM 198 O5' DG A 7 -8.740 4.005 -5.990 1.00 0.00 O ATOM 199 C5' DG A 7 -9.437 2.807 -5.633 1.00 0.00 C ATOM 200 C4' DG A 7 -9.308 2.501 -4.142 1.00 0.00 C ATOM 201 O4' DG A 7 -8.054 1.823 -3.855 1.00 0.00 O ATOM 202 C3' DG A 7 -9.355 3.780 -3.302 1.00 0.00 C ATOM 203 O3' DG A 7 -10.528 3.767 -2.485 1.00 0.00 O ATOM 204 C2' DG A 7 -8.112 3.763 -2.462 1.00 0.00 C ATOM 205 C1' DG A 7 -7.526 2.381 -2.631 1.00 0.00 C ATOM 206 N9 DG A 7 -6.055 2.434 -2.664 1.00 0.00 N ATOM 207 C8 DG A 7 -5.208 2.414 -3.721 1.00 0.00 C ATOM 208 N7 DG A 7 -3.941 2.454 -3.474 1.00 0.00 N ATOM 209 C5 DG A 7 -3.926 2.510 -2.076 1.00 0.00 C ATOM 210 C6 DG A 7 -2.828 2.575 -1.178 1.00 0.00 C ATOM 211 O6 DG A 7 -1.628 2.593 -1.440 1.00 0.00 O ATOM 212 N1 DG A 7 -3.254 2.619 0.143 1.00 0.00 N ATOM 213 C2 DG A 7 -4.572 2.604 0.555 1.00 0.00 C ATOM 214 N2 DG A 7 -4.781 2.666 1.867 1.00 0.00 N ATOM 215 N3 DG A 7 -5.609 2.545 -0.283 1.00 0.00 N ATOM 216 C4 DG A 7 -5.219 2.500 -1.575 1.00 0.00 C ATOM 0 H5' DG A 7 -9.044 1.971 -6.211 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.491 2.907 -5.894 1.00 0.00 H new ATOM 0 H4' DG A 7 -10.150 1.859 -3.883 1.00 0.00 H new ATOM 0 H3' DG A 7 -9.396 4.680 -3.915 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.409 4.529 -2.787 1.00 0.00 H new ATOM 0 H2'' DG A 7 -8.343 3.966 -1.416 1.00 0.00 H new ATOM 0 H1' DG A 7 -7.800 1.751 -1.785 1.00 0.00 H new ATOM 0 H8 DG A 7 -5.579 2.366 -4.734 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.536 2.666 0.866 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.733 2.659 2.233 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.989 2.721 2.507 1.00 0.00 H new ATOM 228 P DG A 8 -11.025 5.111 -1.752 1.00 0.00 P ATOM 229 OP1 DG A 8 -12.493 5.029 -1.578 1.00 0.00 O ATOM 230 OP2 DG A 8 -10.429 6.271 -2.453 1.00 0.00 O ATOM 231 O5' DG A 8 -10.337 4.990 -0.300 1.00 0.00 O ATOM 232 C5' DG A 8 -10.490 3.797 0.475 1.00 0.00 C ATOM 233 C4' DG A 8 -9.915 3.961 1.882 1.00 0.00 C ATOM 234 O4' DG A 8 -8.466 3.796 1.876 1.00 0.00 O ATOM 235 C3' DG A 8 -10.225 5.345 2.447 1.00 0.00 C ATOM 236 O3' DG A 8 -10.856 5.182 3.722 1.00 0.00 O ATOM 237 C2' DG A 8 -8.906 6.030 2.584 1.00 0.00 C ATOM 238 C1' DG A 8 -7.891 4.921 2.586 1.00 0.00 C ATOM 239 N9 DG A 8 -6.648 5.367 1.959 1.00 0.00 N ATOM 240 C8 DG A 8 -6.468 5.959 0.766 1.00 0.00 C ATOM 241 N7 DG A 8 -5.260 6.277 0.428 1.00 0.00 N ATOM 242 C5 DG A 8 -4.534 5.843 1.546 1.00 0.00 C ATOM 243 C6 DG A 8 -3.138 5.904 1.811 1.00 0.00 C ATOM 244 O6 DG A 8 -2.245 6.357 1.100 1.00 0.00 O ATOM 245 N1 DG A 8 -2.832 5.358 3.055 1.00 0.00 N ATOM 246 C2 DG A 8 -3.749 4.822 3.934 1.00 0.00 C ATOM 247 N2 DG A 8 -3.260 4.361 5.085 1.00 0.00 N ATOM 248 N3 DG A 8 -5.060 4.760 3.691 1.00 0.00 N ATOM 249 C4 DG A 8 -5.383 5.285 2.489 1.00 0.00 C ATOM 0 H5' DG A 8 -9.991 2.969 -0.028 1.00 0.00 H new ATOM 0 H5'' DG A 8 -11.547 3.539 0.541 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.378 3.194 2.502 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.894 5.927 1.813 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.733 6.722 1.760 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.857 6.612 3.504 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.645 4.626 3.606 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.303 6.162 0.112 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.852 5.354 3.338 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.887 3.952 5.778 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.259 4.417 5.273 1.00 0.00 H new ATOM 261 P DA A 9 -11.598 6.406 4.453 1.00 0.00 P ATOM 262 OP1 DA A 9 -13.059 6.204 4.329 1.00 0.00 O ATOM 263 OP2 DA A 9 -10.983 7.668 3.986 1.00 0.00 O ATOM 264 O5' DA A 9 -11.184 6.179 5.996 1.00 0.00 O ATOM 265 C5' DA A 9 -9.912 5.612 6.340 1.00 0.00 C ATOM 266 C4' DA A 9 -10.060 4.229 6.975 1.00 0.00 C ATOM 267 O4' DA A 9 -10.621 3.278 6.025 1.00 0.00 O ATOM 268 C3' DA A 9 -8.712 3.680 7.426 1.00 0.00 C ATOM 269 O3' DA A 9 -8.511 3.946 8.816 1.00 0.00 O ATOM 270 C2' DA A 9 -8.769 2.218 7.146 1.00 0.00 C ATOM 271 C1' DA A 9 -9.848 2.047 6.099 1.00 0.00 C ATOM 272 N9 DA A 9 -9.239 1.739 4.791 1.00 0.00 N ATOM 273 C8 DA A 9 -8.048 2.136 4.289 1.00 0.00 C ATOM 274 N7 DA A 9 -7.737 1.744 3.102 1.00 0.00 N ATOM 275 C5 DA A 9 -8.857 0.984 2.756 1.00 0.00 C ATOM 276 C6 DA A 9 -9.190 0.265 1.606 1.00 0.00 C ATOM 277 N6 DA A 9 -8.395 0.198 0.539 1.00 0.00 N ATOM 278 N1 DA A 9 -10.373 -0.374 1.596 1.00 0.00 N ATOM 279 C2 DA A 9 -11.184 -0.310 2.655 1.00 0.00 C ATOM 280 N3 DA A 9 -10.969 0.344 3.795 1.00 0.00 N ATOM 281 C4 DA A 9 -9.777 0.973 3.779 1.00 0.00 C ATOM 0 H5' DA A 9 -9.393 6.276 7.032 1.00 0.00 H new ATOM 0 H5'' DA A 9 -9.294 5.537 5.446 1.00 0.00 H new ATOM 0 H4' DA A 9 -10.722 4.350 7.832 1.00 0.00 H new ATOM 0 H3' DA A 9 -7.876 4.145 6.904 1.00 0.00 H new ATOM 0 H2' DA A 9 -7.809 1.850 6.783 1.00 0.00 H new ATOM 0 H2'' DA A 9 -9.006 1.655 8.049 1.00 0.00 H new ATOM 0 H1' DA A 9 -10.504 1.220 6.370 1.00 0.00 H new ATOM 0 H8 DA A 9 -7.380 2.761 4.864 1.00 0.00 H new ATOM 0 H61 DA A 9 -8.682 -0.341 -0.278 1.00 0.00 H new ATOM 0 H62 DA A 9 -7.499 0.685 0.539 1.00 0.00 H new ATOM 0 H2 DA A 9 -12.117 -0.848 2.579 1.00 0.00 H new ATOM 293 P DG A 10 -7.056 4.376 9.362 1.00 0.00 P ATOM 294 OP1 DG A 10 -7.029 4.159 10.825 1.00 0.00 O ATOM 295 OP2 DG A 10 -6.731 5.710 8.808 1.00 0.00 O ATOM 296 O5' DG A 10 -6.079 3.293 8.673 1.00 0.00 O ATOM 297 C5' DG A 10 -5.997 1.960 9.189 1.00 0.00 C ATOM 298 C4' DG A 10 -4.578 1.395 9.098 1.00 0.00 C ATOM 299 O4' DG A 10 -4.291 0.902 7.755 1.00 0.00 O ATOM 300 C3' DG A 10 -3.521 2.449 9.440 1.00 0.00 C ATOM 301 O3' DG A 10 -2.744 1.967 10.538 1.00 0.00 O ATOM 302 C2' DG A 10 -2.679 2.588 8.213 1.00 0.00 C ATOM 303 C1' DG A 10 -2.962 1.355 7.403 1.00 0.00 C ATOM 304 N9 DG A 10 -2.843 1.646 5.965 1.00 0.00 N ATOM 305 C8 DG A 10 -3.794 1.678 5.004 1.00 0.00 C ATOM 306 N7 DG A 10 -3.421 1.975 3.805 1.00 0.00 N ATOM 307 C5 DG A 10 -2.047 2.171 3.973 1.00 0.00 C ATOM 308 C6 DG A 10 -1.054 2.526 3.022 1.00 0.00 C ATOM 309 O6 DG A 10 -1.192 2.741 1.820 1.00 0.00 O ATOM 310 N1 DG A 10 0.202 2.622 3.608 1.00 0.00 N ATOM 311 C2 DG A 10 0.474 2.403 4.943 1.00 0.00 C ATOM 312 N2 DG A 10 1.748 2.543 5.315 1.00 0.00 N ATOM 313 N3 DG A 10 -0.454 2.069 5.844 1.00 0.00 N ATOM 314 C4 DG A 10 -1.686 1.971 5.295 1.00 0.00 C ATOM 0 H5' DG A 10 -6.680 1.315 8.636 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.324 1.953 10.229 1.00 0.00 H new ATOM 0 H4' DG A 10 -4.532 0.580 9.820 1.00 0.00 H new ATOM 0 H3' DG A 10 -3.950 3.410 9.724 1.00 0.00 H new ATOM 0 H2' DG A 10 -2.935 3.491 7.659 1.00 0.00 H new ATOM 0 H2'' DG A 10 -1.621 2.659 8.467 1.00 0.00 H new ATOM 0 H1' DG A 10 -2.239 0.569 7.620 1.00 0.00 H new ATOM 0 H8 DG A 10 -4.828 1.463 5.232 1.00 0.00 H new ATOM 0 H1 DG A 10 0.984 2.874 3.004 1.00 0.00 H new ATOM 0 H21 DG A 10 2.014 2.395 6.288 1.00 0.00 H new ATOM 0 H22 DG A 10 2.455 2.798 4.626 1.00 0.00 H new ATOM 326 P DG A 11 -1.770 2.949 11.354 1.00 0.00 P ATOM 327 OP1 DG A 11 -2.398 3.245 12.660 1.00 0.00 O ATOM 328 OP2 DG A 11 -1.371 4.058 10.458 1.00 0.00 O ATOM 329 O5' DG A 11 -0.477 2.017 11.612 1.00 0.00 O ATOM 330 C5' DG A 11 0.453 1.735 10.557 1.00 0.00 C ATOM 331 C4' DG A 11 1.715 2.577 10.669 1.00 0.00 C ATOM 332 O4' DG A 11 2.045 3.109 9.364 1.00 0.00 O ATOM 333 C3' DG A 11 1.502 3.744 11.628 1.00 0.00 C ATOM 334 O3' DG A 11 2.563 3.763 12.590 1.00 0.00 O ATOM 335 C2' DG A 11 1.517 4.961 10.769 1.00 0.00 C ATOM 336 C1' DG A 11 2.191 4.535 9.490 1.00 0.00 C ATOM 337 N9 DG A 11 1.604 5.205 8.314 1.00 0.00 N ATOM 338 C8 DG A 11 0.299 5.410 7.995 1.00 0.00 C ATOM 339 N7 DG A 11 0.044 5.980 6.865 1.00 0.00 N ATOM 340 C5 DG A 11 1.329 6.186 6.351 1.00 0.00 C ATOM 341 C6 DG A 11 1.735 6.773 5.124 1.00 0.00 C ATOM 342 O6 DG A 11 1.030 7.241 4.231 1.00 0.00 O ATOM 343 N1 DG A 11 3.119 6.781 4.995 1.00 0.00 N ATOM 344 C2 DG A 11 4.008 6.288 5.930 1.00 0.00 C ATOM 345 N2 DG A 11 5.301 6.388 5.624 1.00 0.00 N ATOM 346 N3 DG A 11 3.633 5.734 7.088 1.00 0.00 N ATOM 347 C4 DG A 11 2.289 5.714 7.234 1.00 0.00 C ATOM 0 H5' DG A 11 -0.023 1.922 9.594 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.719 0.678 10.581 1.00 0.00 H new ATOM 0 H4' DG A 11 2.521 1.947 11.046 1.00 0.00 H new ATOM 0 H3' DG A 11 0.569 3.676 12.187 1.00 0.00 H new ATOM 0 H2' DG A 11 0.506 5.322 10.580 1.00 0.00 H new ATOM 0 H2'' DG A 11 2.061 5.775 11.249 1.00 0.00 H new ATOM 0 H1' DG A 11 3.243 4.817 9.530 1.00 0.00 H new ATOM 0 H8 DG A 11 -0.495 5.107 8.662 1.00 0.00 H new ATOM 0 H1 DG A 11 3.509 7.183 4.142 1.00 0.00 H new ATOM 0 H21 DG A 11 6.007 6.042 6.274 1.00 0.00 H new ATOM 0 H22 DG A 11 5.585 6.811 4.740 1.00 0.00 H new ATOM 359 P DA A 12 2.274 3.405 14.137 1.00 0.00 P ATOM 360 OP1 DA A 12 1.007 4.061 14.534 1.00 0.00 O ATOM 361 OP2 DA A 12 3.510 3.663 14.909 1.00 0.00 O ATOM 362 O5' DA A 12 2.026 1.812 14.097 1.00 0.00 O ATOM 363 C5' DA A 12 0.711 1.280 13.899 1.00 0.00 C ATOM 364 C4' DA A 12 0.732 0.081 12.946 1.00 0.00 C ATOM 365 O4' DA A 12 1.732 0.313 11.923 1.00 0.00 O ATOM 366 C3' DA A 12 1.085 -1.217 13.662 1.00 0.00 C ATOM 367 O3' DA A 12 0.225 -2.250 13.163 1.00 0.00 O ATOM 368 C2' DA A 12 2.502 -1.491 13.278 1.00 0.00 C ATOM 369 C1' DA A 12 2.699 -0.752 11.971 1.00 0.00 C ATOM 370 N9 DA A 12 4.043 -0.181 11.889 1.00 0.00 N ATOM 371 C8 DA A 12 4.739 0.460 12.839 1.00 0.00 C ATOM 372 N7 DA A 12 5.903 0.925 12.524 1.00 0.00 N ATOM 373 C5 DA A 12 5.993 0.546 11.179 1.00 0.00 C ATOM 374 C6 DA A 12 6.982 0.724 10.206 1.00 0.00 C ATOM 375 N6 DA A 12 8.131 1.358 10.441 1.00 0.00 N ATOM 376 N1 DA A 12 6.739 0.225 8.981 1.00 0.00 N ATOM 377 C2 DA A 12 5.592 -0.412 8.727 1.00 0.00 C ATOM 378 N3 DA A 12 4.594 -0.638 9.572 1.00 0.00 N ATOM 379 C4 DA A 12 4.861 -0.129 10.787 1.00 0.00 C ATOM 0 H5' DA A 12 0.060 2.056 13.496 1.00 0.00 H new ATOM 0 H5'' DA A 12 0.291 0.977 14.858 1.00 0.00 H new ATOM 0 H4' DA A 12 -0.267 -0.019 12.521 1.00 0.00 H new ATOM 0 H3' DA A 12 0.967 -1.164 14.744 1.00 0.00 H new ATOM 0 H2' DA A 12 3.194 -1.136 14.041 1.00 0.00 H new ATOM 0 H2'' DA A 12 2.680 -2.560 13.159 1.00 0.00 H new ATOM 0 H1' DA A 12 2.573 -1.444 11.138 1.00 0.00 H new ATOM 0 H8 DA A 12 4.340 0.584 13.835 1.00 0.00 H new ATOM 0 H61 DA A 12 8.819 1.460 9.695 1.00 0.00 H new ATOM 0 H62 DA A 12 8.322 1.741 11.367 1.00 0.00 H new ATOM 0 H2 DA A 12 5.463 -0.785 7.722 1.00 0.00 H new ATOM 391 P DG A 13 -1.337 -2.299 13.553 1.00 0.00 P ATOM 392 OP1 DG A 13 -1.782 -0.919 13.849 1.00 0.00 O ATOM 393 OP2 DG A 13 -1.531 -3.369 14.556 1.00 0.00 O ATOM 394 O5' DG A 13 -2.033 -2.768 12.170 1.00 0.00 O ATOM 395 C5' DG A 13 -1.745 -2.101 10.931 1.00 0.00 C ATOM 396 C4' DG A 13 -2.940 -2.129 9.979 1.00 0.00 C ATOM 397 O4' DG A 13 -2.674 -1.315 8.803 1.00 0.00 O ATOM 398 C3' DG A 13 -3.252 -3.548 9.513 1.00 0.00 C ATOM 399 O3' DG A 13 -4.528 -3.933 10.030 1.00 0.00 O ATOM 400 C2' DG A 13 -3.260 -3.513 8.020 1.00 0.00 C ATOM 401 C1' DG A 13 -3.036 -2.077 7.625 1.00 0.00 C ATOM 402 N9 DG A 13 -1.993 -1.967 6.587 1.00 0.00 N ATOM 403 C8 DG A 13 -0.653 -2.165 6.674 1.00 0.00 C ATOM 404 N7 DG A 13 0.048 -1.997 5.604 1.00 0.00 N ATOM 405 C5 DG A 13 -0.933 -1.641 4.673 1.00 0.00 C ATOM 406 C6 DG A 13 -0.808 -1.321 3.294 1.00 0.00 C ATOM 407 O6 DG A 13 0.212 -1.289 2.608 1.00 0.00 O ATOM 408 N1 DG A 13 -2.040 -1.020 2.726 1.00 0.00 N ATOM 409 C2 DG A 13 -3.247 -1.024 3.396 1.00 0.00 C ATOM 410 N2 DG A 13 -4.322 -0.703 2.678 1.00 0.00 N ATOM 411 N3 DG A 13 -3.373 -1.324 4.693 1.00 0.00 N ATOM 412 C4 DG A 13 -2.185 -1.620 5.268 1.00 0.00 C ATOM 0 H5' DG A 13 -0.889 -2.577 10.453 1.00 0.00 H new ATOM 0 H5'' DG A 13 -1.465 -1.067 11.132 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.793 -1.734 10.530 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.518 -4.272 9.865 1.00 0.00 H new ATOM 0 H2' DG A 13 -2.478 -4.154 7.613 1.00 0.00 H new ATOM 0 H2'' DG A 13 -4.209 -3.880 7.628 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.956 -1.675 7.201 1.00 0.00 H new ATOM 0 H8 DG A 13 -0.190 -2.453 7.606 1.00 0.00 H new ATOM 0 H1 DG A 13 -2.054 -0.777 1.736 1.00 0.00 H new ATOM 0 H21 DG A 13 -5.243 -0.688 3.117 1.00 0.00 H new ATOM 0 H22 DG A 13 -4.225 -0.472 1.689 1.00 0.00 H new ATOM 424 P DG A 14 -4.990 -5.472 10.007 1.00 0.00 P ATOM 425 OP1 DG A 14 -5.861 -5.713 11.179 1.00 0.00 O ATOM 426 OP2 DG A 14 -3.791 -6.314 9.792 1.00 0.00 O ATOM 427 O5' DG A 14 -5.896 -5.539 8.680 1.00 0.00 O ATOM 428 C5' DG A 14 -6.854 -4.512 8.401 1.00 0.00 C ATOM 429 C4' DG A 14 -7.402 -4.639 6.980 1.00 0.00 C ATOM 430 O4' DG A 14 -6.464 -4.076 6.010 1.00 0.00 O ATOM 431 C3' DG A 14 -7.617 -6.108 6.620 1.00 0.00 C ATOM 432 O3' DG A 14 -8.921 -6.256 6.049 1.00 0.00 O ATOM 433 C2' DG A 14 -6.553 -6.420 5.621 1.00 0.00 C ATOM 434 C1' DG A 14 -6.204 -5.094 5.011 1.00 0.00 C ATOM 435 N9 DG A 14 -4.806 -5.084 4.573 1.00 0.00 N ATOM 436 C8 DG A 14 -3.686 -5.290 5.292 1.00 0.00 C ATOM 437 N7 DG A 14 -2.555 -5.256 4.667 1.00 0.00 N ATOM 438 C5 DG A 14 -2.968 -4.996 3.353 1.00 0.00 C ATOM 439 C6 DG A 14 -2.200 -4.841 2.165 1.00 0.00 C ATOM 440 O6 DG A 14 -0.979 -4.901 2.033 1.00 0.00 O ATOM 441 N1 DG A 14 -3.011 -4.595 1.063 1.00 0.00 N ATOM 442 C2 DG A 14 -4.389 -4.507 1.092 1.00 0.00 C ATOM 443 N2 DG A 14 -4.991 -4.277 -0.074 1.00 0.00 N ATOM 444 N3 DG A 14 -5.116 -4.649 2.204 1.00 0.00 N ATOM 445 C4 DG A 14 -4.348 -4.890 3.291 1.00 0.00 C ATOM 0 H5' DG A 14 -6.390 -3.534 8.529 1.00 0.00 H new ATOM 0 H5'' DG A 14 -7.674 -4.572 9.117 1.00 0.00 H new ATOM 0 H4' DG A 14 -8.347 -4.097 6.946 1.00 0.00 H new ATOM 0 H3' DG A 14 -7.558 -6.777 7.478 1.00 0.00 H new ATOM 0 H2' DG A 14 -5.686 -6.878 6.096 1.00 0.00 H new ATOM 0 H2'' DG A 14 -6.911 -7.121 4.867 1.00 0.00 H new ATOM 0 H1' DG A 14 -6.808 -4.900 4.124 1.00 0.00 H new ATOM 0 H8 DG A 14 -3.731 -5.477 6.355 1.00 0.00 H new ATOM 0 H1 DG A 14 -2.552 -4.469 0.161 1.00 0.00 H new ATOM 0 H21 DG A 14 -6.007 -4.202 -0.117 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.436 -4.176 -0.924 1.00 0.00 H new ATOM 457 P DA A 15 -9.587 -7.711 5.873 1.00 0.00 P ATOM 458 OP1 DA A 15 -10.625 -7.874 6.914 1.00 0.00 O ATOM 459 OP2 DA A 15 -8.500 -8.707 5.750 1.00 0.00 O ATOM 460 O5' DA A 15 -10.321 -7.583 4.443 1.00 0.00 O ATOM 461 C5' DA A 15 -9.796 -6.724 3.422 1.00 0.00 C ATOM 462 C4' DA A 15 -10.705 -5.520 3.176 1.00 0.00 C ATOM 463 O4' DA A 15 -10.577 -4.546 4.251 1.00 0.00 O ATOM 464 C3' DA A 15 -10.349 -4.813 1.875 1.00 0.00 C ATOM 465 O3' DA A 15 -11.223 -5.244 0.830 1.00 0.00 O ATOM 466 C2' DA A 15 -10.515 -3.357 2.156 1.00 0.00 C ATOM 467 C1' DA A 15 -10.424 -3.224 3.663 1.00 0.00 C ATOM 468 N9 DA A 15 -9.128 -2.635 4.064 1.00 0.00 N ATOM 469 C8 DA A 15 -7.917 -2.692 3.453 1.00 0.00 C ATOM 470 N7 DA A 15 -6.928 -2.098 4.028 1.00 0.00 N ATOM 471 C5 DA A 15 -7.541 -1.575 5.170 1.00 0.00 C ATOM 472 C6 DA A 15 -7.057 -0.817 6.238 1.00 0.00 C ATOM 473 N6 DA A 15 -5.787 -0.434 6.338 1.00 0.00 N ATOM 474 N1 DA A 15 -7.929 -0.469 7.198 1.00 0.00 N ATOM 475 C2 DA A 15 -9.206 -0.843 7.115 1.00 0.00 C ATOM 476 N3 DA A 15 -9.774 -1.561 6.150 1.00 0.00 N ATOM 477 C4 DA A 15 -8.879 -1.897 5.200 1.00 0.00 C ATOM 0 H5' DA A 15 -9.679 -7.288 2.496 1.00 0.00 H new ATOM 0 H5'' DA A 15 -8.804 -6.378 3.712 1.00 0.00 H new ATOM 0 H4' DA A 15 -11.724 -5.904 3.126 1.00 0.00 H new ATOM 0 H3' DA A 15 -9.334 -5.036 1.545 1.00 0.00 H new ATOM 0 H2' DA A 15 -9.740 -2.771 1.663 1.00 0.00 H new ATOM 0 H2'' DA A 15 -11.474 -2.993 1.787 1.00 0.00 H new ATOM 0 H1' DA A 15 -11.213 -2.560 4.017 1.00 0.00 H new ATOM 0 H8 DA A 15 -7.787 -3.217 2.518 1.00 0.00 H new ATOM 0 H61 DA A 15 -5.483 0.120 7.139 1.00 0.00 H new ATOM 0 H62 DA A 15 -5.117 -0.694 5.614 1.00 0.00 H new ATOM 0 H2 DA A 15 -9.851 -0.528 7.921 1.00 0.00 H new ATOM 489 P DG A 16 -10.853 -4.928 -0.703 1.00 0.00 P ATOM 490 OP1 DG A 16 -12.098 -4.563 -1.416 1.00 0.00 O ATOM 491 OP2 DG A 16 -10.006 -6.030 -1.212 1.00 0.00 O ATOM 492 O5' DG A 16 -9.938 -3.606 -0.573 1.00 0.00 O ATOM 493 C5' DG A 16 -10.389 -2.353 -1.098 1.00 0.00 C ATOM 494 C4' DG A 16 -9.445 -1.820 -2.171 1.00 0.00 C ATOM 495 O4' DG A 16 -8.310 -1.140 -1.569 1.00 0.00 O ATOM 496 C3' DG A 16 -8.905 -2.949 -3.051 1.00 0.00 C ATOM 497 O3' DG A 16 -9.440 -2.819 -4.371 1.00 0.00 O ATOM 498 C2' DG A 16 -7.414 -2.793 -3.046 1.00 0.00 C ATOM 499 C1' DG A 16 -7.137 -1.485 -2.339 1.00 0.00 C ATOM 500 N9 DG A 16 -5.960 -1.611 -1.461 1.00 0.00 N ATOM 501 C8 DG A 16 -5.893 -1.670 -0.109 1.00 0.00 C ATOM 502 N7 DG A 16 -4.727 -1.804 0.428 1.00 0.00 N ATOM 503 C5 DG A 16 -3.900 -1.840 -0.697 1.00 0.00 C ATOM 504 C6 DG A 16 -2.490 -1.976 -0.785 1.00 0.00 C ATOM 505 O6 DG A 16 -1.677 -2.092 0.129 1.00 0.00 O ATOM 506 N1 DG A 16 -2.060 -1.967 -2.105 1.00 0.00 N ATOM 507 C2 DG A 16 -2.879 -1.841 -3.208 1.00 0.00 C ATOM 508 N2 DG A 16 -2.276 -1.844 -4.395 1.00 0.00 N ATOM 509 N3 DG A 16 -4.207 -1.715 -3.134 1.00 0.00 N ATOM 510 C4 DG A 16 -4.650 -1.722 -1.859 1.00 0.00 C ATOM 0 H5' DG A 16 -10.468 -1.627 -0.289 1.00 0.00 H new ATOM 0 H5'' DG A 16 -11.388 -2.472 -1.518 1.00 0.00 H new ATOM 0 H4' DG A 16 -10.023 -1.125 -2.780 1.00 0.00 H new ATOM 0 H3' DG A 16 -9.188 -3.936 -2.686 1.00 0.00 H new ATOM 0 H2' DG A 16 -6.936 -3.625 -2.529 1.00 0.00 H new ATOM 0 H2'' DG A 16 -7.019 -2.779 -4.062 1.00 0.00 H new ATOM 0 H1' DG A 16 -6.921 -0.702 -3.066 1.00 0.00 H new ATOM 0 H8 DG A 16 -6.784 -1.607 0.498 1.00 0.00 H new ATOM 0 H1 DG A 16 -1.058 -2.061 -2.273 1.00 0.00 H new ATOM 0 H21 DG A 16 -2.828 -1.754 -5.248 1.00 0.00 H new ATOM 0 H22 DG A 16 -1.262 -1.936 -4.451 1.00 0.00 H new ATOM 522 P DG A 17 -9.813 -4.128 -5.231 1.00 0.00 P ATOM 523 OP1 DG A 17 -11.002 -3.819 -6.055 1.00 0.00 O ATOM 524 OP2 DG A 17 -9.831 -5.293 -4.317 1.00 0.00 O ATOM 525 O5' DG A 17 -8.545 -4.274 -6.209 1.00 0.00 O ATOM 526 C5' DG A 17 -8.118 -3.167 -7.005 1.00 0.00 C ATOM 527 C4' DG A 17 -6.738 -3.409 -7.614 1.00 0.00 C ATOM 528 O4' DG A 17 -5.683 -3.141 -6.640 1.00 0.00 O ATOM 529 C3' DG A 17 -6.584 -4.850 -8.086 1.00 0.00 C ATOM 530 O3' DG A 17 -6.182 -4.831 -9.459 1.00 0.00 O ATOM 531 C2' DG A 17 -5.519 -5.441 -7.228 1.00 0.00 C ATOM 532 C1' DG A 17 -4.772 -4.265 -6.665 1.00 0.00 C ATOM 533 N9 DG A 17 -4.254 -4.577 -5.331 1.00 0.00 N ATOM 534 C8 DG A 17 -4.906 -5.059 -4.257 1.00 0.00 C ATOM 535 N7 DG A 17 -4.216 -5.281 -3.187 1.00 0.00 N ATOM 536 C5 DG A 17 -2.930 -4.901 -3.596 1.00 0.00 C ATOM 537 C6 DG A 17 -1.700 -4.907 -2.882 1.00 0.00 C ATOM 538 O6 DG A 17 -1.494 -5.253 -1.721 1.00 0.00 O ATOM 539 N1 DG A 17 -0.649 -4.446 -3.672 1.00 0.00 N ATOM 540 C2 DG A 17 -0.764 -4.031 -4.983 1.00 0.00 C ATOM 541 N2 DG A 17 0.358 -3.623 -5.574 1.00 0.00 N ATOM 542 N3 DG A 17 -1.915 -4.023 -5.660 1.00 0.00 N ATOM 543 C4 DG A 17 -2.950 -4.468 -4.912 1.00 0.00 C ATOM 0 H5' DG A 17 -8.092 -2.266 -6.392 1.00 0.00 H new ATOM 0 H5'' DG A 17 -8.841 -2.990 -7.801 1.00 0.00 H new ATOM 0 H4' DG A 17 -6.648 -2.731 -8.463 1.00 0.00 H new ATOM 0 H3' DG A 17 -7.505 -5.428 -8.010 1.00 0.00 H new ATOM 0 H2' DG A 17 -5.947 -6.053 -6.434 1.00 0.00 H new ATOM 0 H2'' DG A 17 -4.859 -6.087 -7.807 1.00 0.00 H new ATOM 0 H1' DG A 17 -3.908 -4.020 -7.283 1.00 0.00 H new ATOM 0 H8 DG A 17 -5.968 -5.253 -4.288 1.00 0.00 H new ATOM 0 H1 DG A 17 0.278 -4.413 -3.248 1.00 0.00 H new ATOM 0 H21 DG A 17 0.337 -3.304 -6.543 1.00 0.00 H new ATOM 0 H22 DG A 17 1.238 -3.629 -5.058 1.00 0.00 H new ATOM 555 P DA A 18 -6.229 -6.157 -10.366 1.00 0.00 P ATOM 556 OP1 DA A 18 -7.411 -6.073 -11.253 1.00 0.00 O ATOM 557 OP2 DA A 18 -6.048 -7.331 -9.483 1.00 0.00 O ATOM 558 O5' DA A 18 -4.903 -5.994 -11.271 1.00 0.00 O ATOM 559 C5' DA A 18 -3.726 -5.362 -10.745 1.00 0.00 C ATOM 560 C4' DA A 18 -3.471 -4.003 -11.398 1.00 0.00 C ATOM 561 O4' DA A 18 -4.422 -3.008 -10.920 1.00 0.00 O ATOM 562 C3' DA A 18 -2.073 -3.489 -11.077 1.00 0.00 C ATOM 563 O3' DA A 18 -1.178 -3.800 -12.146 1.00 0.00 O ATOM 564 C2' DA A 18 -2.227 -2.013 -10.907 1.00 0.00 C ATOM 565 C1' DA A 18 -3.695 -1.791 -10.596 1.00 0.00 C ATOM 566 N9 DA A 18 -3.881 -1.448 -9.172 1.00 0.00 N ATOM 567 C8 DA A 18 -3.095 -1.726 -8.103 1.00 0.00 C ATOM 568 N7 DA A 18 -3.504 -1.339 -6.943 1.00 0.00 N ATOM 569 C5 DA A 18 -4.718 -0.723 -7.264 1.00 0.00 C ATOM 570 C6 DA A 18 -5.690 -0.087 -6.488 1.00 0.00 C ATOM 571 N6 DA A 18 -5.601 0.031 -5.164 1.00 0.00 N ATOM 572 N1 DA A 18 -6.765 0.409 -7.126 1.00 0.00 N ATOM 573 C2 DA A 18 -6.880 0.288 -8.449 1.00 0.00 C ATOM 574 N3 DA A 18 -6.021 -0.295 -9.280 1.00 0.00 N ATOM 575 C4 DA A 18 -4.953 -0.784 -8.619 1.00 0.00 C ATOM 0 H5' DA A 18 -2.864 -6.009 -10.905 1.00 0.00 H new ATOM 0 H5'' DA A 18 -3.833 -5.233 -9.668 1.00 0.00 H new ATOM 0 H4' DA A 18 -3.580 -4.149 -12.473 1.00 0.00 H new ATOM 0 H3' DA A 18 -1.655 -3.948 -10.181 1.00 0.00 H new ATOM 0 H2' DA A 18 -1.595 -1.643 -10.100 1.00 0.00 H new ATOM 0 H2'' DA A 18 -1.933 -1.481 -11.812 1.00 0.00 H new ATOM 0 H1' DA A 18 -4.074 -0.959 -11.190 1.00 0.00 H new ATOM 0 H8 DA A 18 -2.159 -2.253 -8.219 1.00 0.00 H new ATOM 0 H61 DA A 18 -6.339 0.505 -4.643 1.00 0.00 H new ATOM 0 H62 DA A 18 -4.795 -0.353 -4.671 1.00 0.00 H new ATOM 0 H2 DA A 18 -7.769 0.710 -8.895 1.00 0.00 H new ATOM 587 P DG A 19 0.413 -3.709 -11.916 1.00 0.00 P ATOM 588 OP1 DG A 19 1.046 -3.337 -13.201 1.00 0.00 O ATOM 589 OP2 DG A 19 0.848 -4.932 -11.206 1.00 0.00 O ATOM 590 O5' DG A 19 0.555 -2.460 -10.903 1.00 0.00 O ATOM 591 C5' DG A 19 1.459 -1.389 -11.198 1.00 0.00 C ATOM 592 C4' DG A 19 2.554 -1.256 -10.139 1.00 0.00 C ATOM 593 O4' DG A 19 2.084 -0.497 -8.992 1.00 0.00 O ATOM 594 C3' DG A 19 3.022 -2.623 -9.638 1.00 0.00 C ATOM 595 O3' DG A 19 4.392 -2.810 -10.002 1.00 0.00 O ATOM 596 C2' DG A 19 2.865 -2.590 -8.146 1.00 0.00 C ATOM 597 C1' DG A 19 2.592 -1.146 -7.804 1.00 0.00 C ATOM 598 N9 DG A 19 1.645 -1.023 -6.685 1.00 0.00 N ATOM 599 C8 DG A 19 0.291 -0.970 -6.692 1.00 0.00 C ATOM 600 N7 DG A 19 -0.304 -0.809 -5.558 1.00 0.00 N ATOM 601 C5 DG A 19 0.779 -0.749 -4.674 1.00 0.00 C ATOM 602 C6 DG A 19 0.797 -0.580 -3.262 1.00 0.00 C ATOM 603 O6 DG A 19 -0.156 -0.443 -2.499 1.00 0.00 O ATOM 604 N1 DG A 19 2.095 -0.577 -2.766 1.00 0.00 N ATOM 605 C2 DG A 19 3.237 -0.717 -3.527 1.00 0.00 C ATOM 606 N2 DG A 19 4.394 -0.693 -2.867 1.00 0.00 N ATOM 607 N3 DG A 19 3.228 -0.874 -4.853 1.00 0.00 N ATOM 608 C4 DG A 19 1.974 -0.882 -5.359 1.00 0.00 C ATOM 0 H5' DG A 19 0.903 -0.454 -11.265 1.00 0.00 H new ATOM 0 H5'' DG A 19 1.916 -1.558 -12.173 1.00 0.00 H new ATOM 0 H4' DG A 19 3.384 -0.737 -10.619 1.00 0.00 H new ATOM 0 H3' DG A 19 2.449 -3.444 -10.069 1.00 0.00 H new ATOM 0 H2' DG A 19 2.046 -3.232 -7.823 1.00 0.00 H new ATOM 0 H2'' DG A 19 3.766 -2.948 -7.648 1.00 0.00 H new ATOM 0 H1' DG A 19 3.514 -0.665 -7.478 1.00 0.00 H new ATOM 0 H8 DG A 19 -0.269 -1.059 -7.611 1.00 0.00 H new ATOM 0 H1 DG A 19 2.213 -0.462 -1.759 1.00 0.00 H new ATOM 0 H21 DG A 19 5.273 -0.792 -3.375 1.00 0.00 H new ATOM 0 H22 DG A 19 4.401 -0.576 -1.854 1.00 0.00 H new ATOM 620 P DG A 20 5.073 -4.262 -9.897 1.00 0.00 P ATOM 621 OP1 DG A 20 6.269 -4.278 -10.770 1.00 0.00 O ATOM 622 OP2 DG A 20 4.018 -5.284 -10.069 1.00 0.00 O ATOM 623 O5' DG A 20 5.566 -4.296 -8.362 1.00 0.00 O ATOM 624 C5' DG A 20 6.746 -3.591 -7.963 1.00 0.00 C ATOM 625 C4' DG A 20 7.229 -4.042 -6.584 1.00 0.00 C ATOM 626 O4' DG A 20 6.464 -3.389 -5.526 1.00 0.00 O ATOM 627 C3' DG A 20 7.061 -5.552 -6.422 1.00 0.00 C ATOM 628 O3' DG A 20 8.284 -6.107 -5.932 1.00 0.00 O ATOM 629 C2' DG A 20 5.972 -5.712 -5.411 1.00 0.00 C ATOM 630 C1' DG A 20 5.976 -4.421 -4.638 1.00 0.00 C ATOM 631 N9 DG A 20 4.634 -4.111 -4.127 1.00 0.00 N ATOM 632 C8 DG A 20 3.458 -4.071 -4.782 1.00 0.00 C ATOM 633 N7 DG A 20 2.399 -3.791 -4.096 1.00 0.00 N ATOM 634 C5 DG A 20 2.929 -3.624 -2.812 1.00 0.00 C ATOM 635 C6 DG A 20 2.278 -3.304 -1.590 1.00 0.00 C ATOM 636 O6 DG A 20 1.082 -3.099 -1.394 1.00 0.00 O ATOM 637 N1 DG A 20 3.181 -3.233 -0.535 1.00 0.00 N ATOM 638 C2 DG A 20 4.540 -3.443 -0.637 1.00 0.00 C ATOM 639 N2 DG A 20 5.242 -3.334 0.491 1.00 0.00 N ATOM 640 N3 DG A 20 5.160 -3.743 -1.783 1.00 0.00 N ATOM 641 C4 DG A 20 4.300 -3.818 -2.824 1.00 0.00 C ATOM 0 H5' DG A 20 6.543 -2.520 -7.946 1.00 0.00 H new ATOM 0 H5'' DG A 20 7.535 -3.755 -8.697 1.00 0.00 H new ATOM 0 H4' DG A 20 8.281 -3.769 -6.505 1.00 0.00 H new ATOM 0 H3' DG A 20 6.819 -6.057 -7.357 1.00 0.00 H new ATOM 0 H2' DG A 20 5.008 -5.883 -5.891 1.00 0.00 H new ATOM 0 H2'' DG A 20 6.159 -6.565 -4.759 1.00 0.00 H new ATOM 0 H1' DG A 20 6.624 -4.496 -3.765 1.00 0.00 H new ATOM 0 H8 DG A 20 3.402 -4.266 -5.843 1.00 0.00 H new ATOM 0 H1 DG A 20 2.809 -3.008 0.387 1.00 0.00 H new ATOM 0 H21 DG A 20 6.252 -3.478 0.479 1.00 0.00 H new ATOM 0 H22 DG A 20 4.769 -3.106 1.366 1.00 0.00 H new ATOM 653 P DA A 21 9.572 -6.251 -6.883 1.00 0.00 P ATOM 654 OP1 DA A 21 9.412 -5.326 -8.027 1.00 0.00 O ATOM 655 OP2 DA A 21 9.815 -7.692 -7.125 1.00 0.00 O ATOM 656 O5' DA A 21 10.750 -5.690 -5.938 1.00 0.00 O ATOM 657 C5' DA A 21 10.506 -5.444 -4.547 1.00 0.00 C ATOM 658 C4' DA A 21 11.141 -4.131 -4.084 1.00 0.00 C ATOM 659 O4' DA A 21 10.847 -3.055 -5.017 1.00 0.00 O ATOM 660 C3' DA A 21 10.624 -3.710 -2.715 1.00 0.00 C ATOM 661 O3' DA A 21 11.540 -4.133 -1.702 1.00 0.00 O ATOM 662 C2' DA A 21 10.526 -2.222 -2.777 1.00 0.00 C ATOM 663 C1' DA A 21 10.463 -1.879 -4.255 1.00 0.00 C ATOM 664 N9 DA A 21 9.108 -1.442 -4.649 1.00 0.00 N ATOM 665 C8 DA A 21 7.915 -1.625 -4.029 1.00 0.00 C ATOM 666 N7 DA A 21 6.865 -1.138 -4.600 1.00 0.00 N ATOM 667 C5 DA A 21 7.413 -0.557 -5.747 1.00 0.00 C ATOM 668 C6 DA A 21 6.848 0.144 -6.817 1.00 0.00 C ATOM 669 N6 DA A 21 5.546 0.398 -6.913 1.00 0.00 N ATOM 670 N1 DA A 21 7.678 0.576 -7.781 1.00 0.00 N ATOM 671 C2 DA A 21 8.987 0.335 -7.703 1.00 0.00 C ATOM 672 N3 DA A 21 9.628 -0.316 -6.737 1.00 0.00 N ATOM 673 C4 DA A 21 8.776 -0.738 -5.783 1.00 0.00 C ATOM 0 H5' DA A 21 10.904 -6.269 -3.956 1.00 0.00 H new ATOM 0 H5'' DA A 21 9.432 -5.412 -4.366 1.00 0.00 H new ATOM 0 H4' DA A 21 12.215 -4.309 -4.033 1.00 0.00 H new ATOM 0 H3' DA A 21 9.661 -4.157 -2.471 1.00 0.00 H new ATOM 0 H2' DA A 21 9.639 -1.865 -2.254 1.00 0.00 H new ATOM 0 H2'' DA A 21 11.387 -1.752 -2.302 1.00 0.00 H new ATOM 0 H1' DA A 21 11.145 -1.054 -4.458 1.00 0.00 H new ATOM 0 H8 DA A 21 7.847 -2.158 -3.092 1.00 0.00 H new ATOM 0 H61 DA A 21 5.185 0.914 -7.715 1.00 0.00 H new ATOM 0 H62 DA A 21 4.909 0.077 -6.184 1.00 0.00 H new ATOM 0 H2 DA A 21 9.594 0.710 -8.514 1.00 0.00 H new ATOM 685 P DG A 22 11.040 -4.310 -0.184 1.00 0.00 P ATOM 686 OP1 DG A 22 12.223 -4.249 0.705 1.00 0.00 O ATOM 687 OP2 DG A 22 10.134 -5.480 -0.127 1.00 0.00 O ATOM 688 O5' DG A 22 10.161 -2.980 0.053 1.00 0.00 O ATOM 689 C5' DG A 22 10.734 -1.836 0.694 1.00 0.00 C ATOM 690 C4' DG A 22 9.879 -1.358 1.867 1.00 0.00 C ATOM 691 O4' DG A 22 8.769 -0.539 1.406 1.00 0.00 O ATOM 692 C3' DG A 22 9.301 -2.536 2.650 1.00 0.00 C ATOM 693 O3' DG A 22 9.891 -2.573 3.954 1.00 0.00 O ATOM 694 C2' DG A 22 7.823 -2.287 2.729 1.00 0.00 C ATOM 695 C1' DG A 22 7.614 -0.886 2.201 1.00 0.00 C ATOM 696 N9 DG A 22 6.379 -0.801 1.400 1.00 0.00 N ATOM 697 C8 DG A 22 6.222 -0.810 0.054 1.00 0.00 C ATOM 698 N7 DG A 22 5.022 -0.695 -0.408 1.00 0.00 N ATOM 699 C5 DG A 22 4.271 -0.597 0.765 1.00 0.00 C ATOM 700 C6 DG A 22 2.868 -0.448 0.937 1.00 0.00 C ATOM 701 O6 DG A 22 1.998 -0.373 0.072 1.00 0.00 O ATOM 702 N1 DG A 22 2.522 -0.389 2.282 1.00 0.00 N ATOM 703 C2 DG A 22 3.411 -0.463 3.336 1.00 0.00 C ATOM 704 N2 DG A 22 2.880 -0.396 4.558 1.00 0.00 N ATOM 705 N3 DG A 22 4.733 -0.601 3.183 1.00 0.00 N ATOM 706 C4 DG A 22 5.094 -0.661 1.880 1.00 0.00 C ATOM 0 H5' DG A 22 10.842 -1.029 -0.031 1.00 0.00 H new ATOM 0 H5'' DG A 22 11.735 -2.081 1.049 1.00 0.00 H new ATOM 0 H4' DG A 22 10.534 -0.772 2.511 1.00 0.00 H new ATOM 0 H3' DG A 22 9.506 -3.495 2.175 1.00 0.00 H new ATOM 0 H2' DG A 22 7.271 -3.015 2.135 1.00 0.00 H new ATOM 0 H2'' DG A 22 7.465 -2.376 3.755 1.00 0.00 H new ATOM 0 H1' DG A 22 7.502 -0.186 3.029 1.00 0.00 H new ATOM 0 H8 DG A 22 7.070 -0.910 -0.608 1.00 0.00 H new ATOM 0 H1 DG A 22 1.533 -0.283 2.508 1.00 0.00 H new ATOM 0 H21 DG A 22 3.483 -0.445 5.379 1.00 0.00 H new ATOM 0 H22 DG A 22 1.871 -0.296 4.671 1.00 0.00 H new ATOM 718 P DG A 23 10.911 -3.751 4.361 1.00 0.00 P ATOM 719 OP1 DG A 23 12.185 -3.134 4.792 1.00 0.00 O ATOM 720 OP2 DG A 23 10.909 -4.760 3.278 1.00 0.00 O ATOM 721 O5' DG A 23 10.203 -4.399 5.654 1.00 0.00 O ATOM 722 C5' DG A 23 9.153 -3.705 6.335 1.00 0.00 C ATOM 723 C4' DG A 23 8.064 -4.662 6.829 1.00 0.00 C ATOM 724 O4' DG A 23 6.751 -4.224 6.369 1.00 0.00 O ATOM 725 C3' DG A 23 8.295 -6.084 6.312 1.00 0.00 C ATOM 726 O3' DG A 23 8.518 -6.958 7.423 1.00 0.00 O ATOM 727 C2' DG A 23 7.050 -6.459 5.568 1.00 0.00 C ATOM 728 C1' DG A 23 6.033 -5.390 5.904 1.00 0.00 C ATOM 729 N9 DG A 23 5.194 -5.060 4.735 1.00 0.00 N ATOM 730 C8 DG A 23 5.536 -4.937 3.430 1.00 0.00 C ATOM 731 N7 DG A 23 4.603 -4.632 2.592 1.00 0.00 N ATOM 732 C5 DG A 23 3.488 -4.536 3.429 1.00 0.00 C ATOM 733 C6 DG A 23 2.137 -4.226 3.114 1.00 0.00 C ATOM 734 O6 DG A 23 1.651 -3.969 2.015 1.00 0.00 O ATOM 735 N1 DG A 23 1.336 -4.234 4.248 1.00 0.00 N ATOM 736 C2 DG A 23 1.773 -4.507 5.530 1.00 0.00 C ATOM 737 N2 DG A 23 0.848 -4.469 6.489 1.00 0.00 N ATOM 738 N3 DG A 23 3.041 -4.799 5.834 1.00 0.00 N ATOM 739 C4 DG A 23 3.842 -4.796 4.744 1.00 0.00 C ATOM 0 H5' DG A 23 8.711 -2.967 5.665 1.00 0.00 H new ATOM 0 H5'' DG A 23 9.568 -3.159 7.182 1.00 0.00 H new ATOM 0 H4' DG A 23 8.107 -4.658 7.918 1.00 0.00 H new ATOM 0 H3' DG A 23 9.166 -6.156 5.661 1.00 0.00 H new ATOM 0 H2' DG A 23 7.233 -6.501 4.494 1.00 0.00 H new ATOM 0 H2'' DG A 23 6.696 -7.445 5.870 1.00 0.00 H new ATOM 0 H1' DG A 23 5.360 -5.753 6.681 1.00 0.00 H new ATOM 0 H8 DG A 23 6.554 -5.089 3.102 1.00 0.00 H new ATOM 0 H1 DG A 23 0.346 -4.021 4.125 1.00 0.00 H new ATOM 0 H21 DG A 23 1.108 -4.662 7.456 1.00 0.00 H new ATOM 0 H22 DG A 23 -0.120 -4.247 6.255 1.00 0.00 H new ATOM 751 P DA A 24 9.140 -8.426 7.196 1.00 0.00 P ATOM 752 OP1 DA A 24 10.176 -8.654 8.228 1.00 0.00 O ATOM 753 OP2 DA A 24 9.479 -8.570 5.763 1.00 0.00 O ATOM 754 O5' DA A 24 7.889 -9.390 7.518 1.00 0.00 O ATOM 755 C5' DA A 24 6.782 -8.912 8.289 1.00 0.00 C ATOM 756 C4' DA A 24 5.464 -9.524 7.815 1.00 0.00 C ATOM 757 O4' DA A 24 4.838 -8.673 6.820 1.00 0.00 O ATOM 758 C3' DA A 24 5.689 -10.894 7.188 1.00 0.00 C ATOM 759 O3' DA A 24 5.218 -11.934 8.052 1.00 0.00 O ATOM 760 C2' DA A 24 4.921 -10.881 5.902 1.00 0.00 C ATOM 761 C1' DA A 24 4.236 -9.530 5.826 1.00 0.00 C ATOM 762 N9 DA A 24 4.386 -8.946 4.485 1.00 0.00 N ATOM 763 C8 DA A 24 5.473 -8.916 3.688 1.00 0.00 C ATOM 764 N7 DA A 24 5.360 -8.332 2.542 1.00 0.00 N ATOM 765 C5 DA A 24 4.024 -7.916 2.571 1.00 0.00 C ATOM 766 C6 DA A 24 3.226 -7.222 1.656 1.00 0.00 C ATOM 767 N6 DA A 24 3.672 -6.800 0.473 1.00 0.00 N ATOM 768 N1 DA A 24 1.951 -6.979 2.006 1.00 0.00 N ATOM 769 C2 DA A 24 1.483 -7.393 3.186 1.00 0.00 C ATOM 770 N3 DA A 24 2.150 -8.056 4.127 1.00 0.00 N ATOM 771 C4 DA A 24 3.424 -8.287 3.753 1.00 0.00 C ATOM 0 H5' DA A 24 6.728 -7.826 8.215 1.00 0.00 H new ATOM 0 H5'' DA A 24 6.939 -9.152 9.341 1.00 0.00 H new ATOM 0 H4' DA A 24 4.821 -9.621 8.690 1.00 0.00 H new ATOM 0 H3' DA A 24 6.748 -11.088 7.020 1.00 0.00 H new ATOM 0 H2' DA A 24 5.586 -11.028 5.051 1.00 0.00 H new ATOM 0 H2'' DA A 24 4.190 -11.689 5.878 1.00 0.00 H new ATOM 0 HO3' DA A 24 5.371 -12.805 7.629 1.00 0.00 H new ATOM 0 H1' DA A 24 3.168 -9.640 6.017 1.00 0.00 H new ATOM 0 H8 DA A 24 6.405 -9.365 3.997 1.00 0.00 H new ATOM 0 H61 DA A 24 3.047 -6.298 -0.158 1.00 0.00 H new ATOM 0 H62 DA A 24 4.638 -6.979 0.199 1.00 0.00 H new ATOM 0 H2 DA A 24 0.449 -7.165 3.400 1.00 0.00 H new TER 784 DA A 24