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 USER MOD Single : A 24 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 10.343 2.822 5.998 1.00 0.00 O ATOM 2 C5' DG A 1 9.084 2.461 5.425 1.00 0.00 C ATOM 3 C4' DG A 1 9.100 2.593 3.904 1.00 0.00 C ATOM 4 O4' DG A 1 7.821 2.175 3.337 1.00 0.00 O ATOM 5 C3' DG A 1 9.348 4.040 3.478 1.00 0.00 C ATOM 6 O3' DG A 1 10.491 4.085 2.620 1.00 0.00 O ATOM 7 C2' DG A 1 8.120 4.466 2.746 1.00 0.00 C ATOM 8 C1' DG A 1 7.402 3.191 2.394 1.00 0.00 C ATOM 9 N9 DG A 1 5.944 3.391 2.420 1.00 0.00 N ATOM 10 C8 DG A 1 5.175 4.015 3.337 1.00 0.00 C ATOM 11 N7 DG A 1 3.908 4.092 3.107 1.00 0.00 N ATOM 12 C5 DG A 1 3.806 3.436 1.876 1.00 0.00 C ATOM 13 C6 DG A 1 2.664 3.181 1.072 1.00 0.00 C ATOM 14 O6 DG A 1 1.494 3.489 1.289 1.00 0.00 O ATOM 15 N1 DG A 1 3.001 2.494 -0.086 1.00 0.00 N ATOM 16 C2 DG A 1 4.275 2.100 -0.436 1.00 0.00 C ATOM 17 N2 DG A 1 4.395 1.452 -1.593 1.00 0.00 N ATOM 18 N3 DG A 1 5.355 2.334 0.315 1.00 0.00 N ATOM 19 C4 DG A 1 5.051 3.003 1.450 1.00 0.00 C ATOM 0 H5' DG A 1 8.300 3.096 5.838 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.840 1.435 5.699 1.00 0.00 H new ATOM 0 H4' DG A 1 9.905 1.955 3.538 1.00 0.00 H new ATOM 0 H3' DG A 1 9.542 4.697 4.326 1.00 0.00 H new ATOM 0 H2' DG A 1 7.496 5.110 3.366 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.373 5.034 1.851 1.00 0.00 H new ATOM 0 HO5' DG A 1 10.298 2.728 6.972 1.00 0.00 H new ATOM 0 H1' DG A 1 7.653 2.875 1.381 1.00 0.00 H new ATOM 0 H8 DG A 1 5.606 4.436 4.233 1.00 0.00 H new ATOM 0 H1 DG A 1 2.245 2.262 -0.730 1.00 0.00 H new ATOM 0 H21 DG A 1 5.312 1.135 -1.907 1.00 0.00 H new ATOM 0 H22 DG A 1 3.570 1.273 -2.165 1.00 0.00 H new ATOM 32 P DG A 2 11.181 5.490 2.246 1.00 0.00 P ATOM 33 OP1 DG A 2 12.648 5.331 2.353 1.00 0.00 O ATOM 34 OP2 DG A 2 10.494 6.562 3.002 1.00 0.00 O ATOM 35 O5' DG A 2 10.798 5.642 0.689 1.00 0.00 O ATOM 36 C5' DG A 2 10.810 4.493 -0.164 1.00 0.00 C ATOM 37 C4' DG A 2 9.975 4.702 -1.429 1.00 0.00 C ATOM 38 O4' DG A 2 8.557 4.497 -1.164 1.00 0.00 O ATOM 39 C3' DG A 2 10.144 6.113 -1.991 1.00 0.00 C ATOM 40 O3' DG A 2 10.772 6.021 -3.275 1.00 0.00 O ATOM 41 C2' DG A 2 8.762 6.680 -2.108 1.00 0.00 C ATOM 42 C1' DG A 2 7.830 5.513 -1.893 1.00 0.00 C ATOM 43 N9 DG A 2 6.614 5.931 -1.175 1.00 0.00 N ATOM 44 C8 DG A 2 6.477 6.465 0.060 1.00 0.00 C ATOM 45 N7 DG A 2 5.282 6.759 0.455 1.00 0.00 N ATOM 46 C5 DG A 2 4.514 6.376 -0.652 1.00 0.00 C ATOM 47 C6 DG A 2 3.108 6.442 -0.858 1.00 0.00 C ATOM 48 O6 DG A 2 2.243 6.857 -0.090 1.00 0.00 O ATOM 49 N1 DG A 2 2.753 5.954 -2.112 1.00 0.00 N ATOM 50 C2 DG A 2 3.634 5.462 -3.053 1.00 0.00 C ATOM 51 N2 DG A 2 3.100 5.038 -4.197 1.00 0.00 N ATOM 52 N3 DG A 2 4.955 5.398 -2.866 1.00 0.00 N ATOM 53 C4 DG A 2 5.326 5.868 -1.653 1.00 0.00 C ATOM 0 H5' DG A 2 10.427 3.632 0.384 1.00 0.00 H new ATOM 0 H5'' DG A 2 11.838 4.261 -0.444 1.00 0.00 H new ATOM 0 H4' DG A 2 10.333 3.971 -2.154 1.00 0.00 H new ATOM 0 H3' DG A 2 10.764 6.748 -1.358 1.00 0.00 H new ATOM 0 H2' DG A 2 8.593 7.460 -1.365 1.00 0.00 H new ATOM 0 H2'' DG A 2 8.605 7.133 -3.087 1.00 0.00 H new ATOM 0 H1' DG A 2 7.498 5.113 -2.851 1.00 0.00 H new ATOM 0 H8 DG A 2 7.335 6.639 0.693 1.00 0.00 H new ATOM 0 H1 DG A 2 1.762 5.961 -2.355 1.00 0.00 H new ATOM 0 H21 DG A 2 3.700 4.663 -4.932 1.00 0.00 H new ATOM 0 H22 DG A 2 2.091 5.088 -4.338 1.00 0.00 H new ATOM 65 P DA A 3 11.392 7.318 -3.994 1.00 0.00 P ATOM 66 OP1 DA A 3 12.861 7.290 -3.816 1.00 0.00 O ATOM 67 OP2 DA A 3 10.618 8.503 -3.562 1.00 0.00 O ATOM 68 O5' DA A 3 11.066 7.038 -5.549 1.00 0.00 O ATOM 69 C5' DA A 3 9.795 6.506 -5.949 1.00 0.00 C ATOM 70 C4' DA A 3 9.946 5.184 -6.699 1.00 0.00 C ATOM 71 O4' DA A 3 10.413 4.133 -5.804 1.00 0.00 O ATOM 72 C3' DA A 3 8.616 4.732 -7.289 1.00 0.00 C ATOM 73 O3' DA A 3 8.543 5.099 -8.670 1.00 0.00 O ATOM 74 C2' DA A 3 8.595 3.252 -7.115 1.00 0.00 C ATOM 75 C1' DA A 3 9.562 2.966 -5.982 1.00 0.00 C ATOM 76 N9 DA A 3 8.832 2.679 -4.730 1.00 0.00 N ATOM 77 C8 DA A 3 7.581 3.045 -4.356 1.00 0.00 C ATOM 78 N7 DA A 3 7.187 2.710 -3.174 1.00 0.00 N ATOM 79 C5 DA A 3 8.307 2.034 -2.685 1.00 0.00 C ATOM 80 C6 DA A 3 8.575 1.409 -1.464 1.00 0.00 C ATOM 81 N6 DA A 3 7.698 1.370 -0.460 1.00 0.00 N ATOM 82 N1 DA A 3 9.782 0.836 -1.312 1.00 0.00 N ATOM 83 C2 DA A 3 10.676 0.875 -2.302 1.00 0.00 C ATOM 84 N3 DA A 3 10.530 1.441 -3.498 1.00 0.00 N ATOM 85 C4 DA A 3 9.313 2.007 -3.626 1.00 0.00 C ATOM 0 H5' DA A 3 9.282 7.228 -6.584 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.170 6.356 -5.069 1.00 0.00 H new ATOM 0 H4' DA A 3 10.670 5.353 -7.496 1.00 0.00 H new ATOM 0 H3' DA A 3 7.760 5.198 -6.800 1.00 0.00 H new ATOM 0 H2' DA A 3 7.592 2.899 -6.874 1.00 0.00 H new ATOM 0 H2'' DA A 3 8.901 2.744 -8.030 1.00 0.00 H new ATOM 0 H1' DA A 3 10.163 2.090 -6.227 1.00 0.00 H new ATOM 0 H8 DA A 3 6.937 3.598 -5.024 1.00 0.00 H new ATOM 0 H61 DA A 3 7.942 0.901 0.412 1.00 0.00 H new ATOM 0 H62 DA A 3 6.783 1.809 -0.564 1.00 0.00 H new ATOM 0 H2 DA A 3 11.624 0.394 -2.112 1.00 0.00 H new ATOM 97 P DG A 4 7.118 5.416 -9.351 1.00 0.00 P ATOM 98 OP1 DG A 4 7.260 5.254 -10.815 1.00 0.00 O ATOM 99 OP2 DG A 4 6.615 6.692 -8.796 1.00 0.00 O ATOM 100 O5' DG A 4 6.184 4.223 -8.800 1.00 0.00 O ATOM 101 C5' DG A 4 5.662 3.235 -9.696 1.00 0.00 C ATOM 102 C4' DG A 4 4.140 3.118 -9.594 1.00 0.00 C ATOM 103 O4' DG A 4 3.755 2.287 -8.463 1.00 0.00 O ATOM 104 C3' DG A 4 3.481 4.485 -9.414 1.00 0.00 C ATOM 105 O3' DG A 4 2.661 4.766 -10.550 1.00 0.00 O ATOM 106 C2' DG A 4 2.656 4.387 -8.169 1.00 0.00 C ATOM 107 C1' DG A 4 2.625 2.923 -7.818 1.00 0.00 C ATOM 108 N9 DG A 4 2.667 2.725 -6.358 1.00 0.00 N ATOM 109 C8 DG A 4 3.732 2.533 -5.542 1.00 0.00 C ATOM 110 N7 DG A 4 3.498 2.358 -4.285 1.00 0.00 N ATOM 111 C5 DG A 4 2.103 2.444 -4.241 1.00 0.00 C ATOM 112 C6 DG A 4 1.220 2.333 -3.134 1.00 0.00 C ATOM 113 O6 DG A 4 1.496 2.129 -1.956 1.00 0.00 O ATOM 114 N1 DG A 4 -0.104 2.480 -3.521 1.00 0.00 N ATOM 115 C2 DG A 4 -0.535 2.706 -4.812 1.00 0.00 C ATOM 116 N2 DG A 4 -1.852 2.833 -4.976 1.00 0.00 N ATOM 117 N3 DG A 4 0.287 2.811 -5.860 1.00 0.00 N ATOM 118 C4 DG A 4 1.586 2.670 -5.507 1.00 0.00 C ATOM 0 H5' DG A 4 6.116 2.269 -9.475 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.939 3.491 -10.719 1.00 0.00 H new ATOM 0 H4' DG A 4 3.803 2.667 -10.527 1.00 0.00 H new ATOM 0 H3' DG A 4 4.212 5.289 -9.329 1.00 0.00 H new ATOM 0 H2' DG A 4 3.093 4.974 -7.362 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.650 4.772 -8.334 1.00 0.00 H new ATOM 0 H1' DG A 4 1.695 2.476 -8.168 1.00 0.00 H new ATOM 0 H8 DG A 4 4.740 2.527 -5.930 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.816 2.416 -2.793 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.236 3.002 -5.906 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.475 2.762 -4.172 1.00 0.00 H new ATOM 130 P DG A 5 2.095 6.251 -10.806 1.00 0.00 P ATOM 131 OP1 DG A 5 2.118 6.513 -12.262 1.00 0.00 O ATOM 132 OP2 DG A 5 2.782 7.175 -9.876 1.00 0.00 O ATOM 133 O5' DG A 5 0.558 6.114 -10.341 1.00 0.00 O ATOM 134 C5' DG A 5 -0.179 4.920 -10.623 1.00 0.00 C ATOM 135 C4' DG A 5 -1.510 4.881 -9.871 1.00 0.00 C ATOM 136 O4' DG A 5 -1.318 4.454 -8.493 1.00 0.00 O ATOM 137 C3' DG A 5 -2.175 6.255 -9.845 1.00 0.00 C ATOM 138 O3' DG A 5 -3.404 6.185 -10.577 1.00 0.00 O ATOM 139 C2' DG A 5 -2.419 6.574 -8.406 1.00 0.00 C ATOM 140 C1' DG A 5 -2.134 5.303 -7.652 1.00 0.00 C ATOM 141 N9 DG A 5 -1.440 5.606 -6.400 1.00 0.00 N ATOM 142 C8 DG A 5 -0.161 5.984 -6.208 1.00 0.00 C ATOM 143 N7 DG A 5 0.224 6.192 -4.992 1.00 0.00 N ATOM 144 C5 DG A 5 -0.949 5.921 -4.274 1.00 0.00 C ATOM 145 C6 DG A 5 -1.198 5.966 -2.875 1.00 0.00 C ATOM 146 O6 DG A 5 -0.419 6.258 -1.970 1.00 0.00 O ATOM 147 N1 DG A 5 -2.514 5.621 -2.581 1.00 0.00 N ATOM 148 C2 DG A 5 -3.473 5.277 -3.510 1.00 0.00 C ATOM 149 N2 DG A 5 -4.683 4.994 -3.030 1.00 0.00 N ATOM 150 N3 DG A 5 -3.245 5.231 -4.824 1.00 0.00 N ATOM 151 C4 DG A 5 -1.972 5.562 -5.135 1.00 0.00 C ATOM 0 H5' DG A 5 0.419 4.051 -10.348 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.365 4.853 -11.695 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.146 4.172 -10.401 1.00 0.00 H new ATOM 0 H3' DG A 5 -1.559 7.029 -10.303 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.770 7.383 -8.069 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.446 6.902 -8.247 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.065 4.793 -7.404 1.00 0.00 H new ATOM 0 H8 DG A 5 0.517 6.109 -7.039 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.791 5.623 -1.599 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.436 4.732 -3.667 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.857 5.039 -2.026 1.00 0.00 H new ATOM 163 P DA A 6 -4.191 7.516 -11.019 1.00 0.00 P ATOM 164 OP1 DA A 6 -3.876 7.793 -12.438 1.00 0.00 O ATOM 165 OP2 DA A 6 -3.954 8.557 -9.993 1.00 0.00 O ATOM 166 O5' DA A 6 -5.733 7.052 -10.922 1.00 0.00 O ATOM 167 C5' DA A 6 -6.310 6.678 -9.664 1.00 0.00 C ATOM 168 C4' DA A 6 -7.094 5.368 -9.764 1.00 0.00 C ATOM 169 O4' DA A 6 -6.271 4.312 -10.339 1.00 0.00 O ATOM 170 C3' DA A 6 -7.561 4.895 -8.395 1.00 0.00 C ATOM 171 O3' DA A 6 -8.916 5.293 -8.175 1.00 0.00 O ATOM 172 C2' DA A 6 -7.431 3.409 -8.429 1.00 0.00 C ATOM 173 C1' DA A 6 -6.428 3.113 -9.530 1.00 0.00 C ATOM 174 N9 DA A 6 -5.118 2.701 -8.975 1.00 0.00 N ATOM 175 C8 DA A 6 -4.624 2.816 -7.714 1.00 0.00 C ATOM 176 N7 DA A 6 -3.421 2.401 -7.504 1.00 0.00 N ATOM 177 C5 DA A 6 -3.051 1.950 -8.772 1.00 0.00 C ATOM 178 C6 DA A 6 -1.875 1.379 -9.265 1.00 0.00 C ATOM 179 N6 DA A 6 -0.802 1.157 -8.508 1.00 0.00 N ATOM 180 N1 DA A 6 -1.845 1.050 -10.568 1.00 0.00 N ATOM 181 C2 DA A 6 -2.908 1.271 -11.345 1.00 0.00 C ATOM 182 N3 DA A 6 -4.070 1.807 -10.983 1.00 0.00 N ATOM 183 C4 DA A 6 -4.076 2.128 -9.673 1.00 0.00 C ATOM 0 H5' DA A 6 -6.972 7.472 -9.318 1.00 0.00 H new ATOM 0 H5'' DA A 6 -5.521 6.573 -8.919 1.00 0.00 H new ATOM 0 H4' DA A 6 -7.955 5.568 -10.401 1.00 0.00 H new ATOM 0 H3' DA A 6 -6.975 5.325 -7.583 1.00 0.00 H new ATOM 0 H2' DA A 6 -7.085 3.024 -7.470 1.00 0.00 H new ATOM 0 H2'' DA A 6 -8.391 2.936 -8.636 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.798 2.286 -10.137 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.217 3.239 -6.917 1.00 0.00 H new ATOM 0 H61 DA A 6 0.033 0.737 -8.917 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.815 1.407 -7.519 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.814 0.983 -12.382 1.00 0.00 H new ATOM 195 P DG A 7 -9.537 5.237 -6.691 1.00 0.00 P ATOM 196 OP1 DG A 7 -10.969 4.878 -6.802 1.00 0.00 O ATOM 197 OP2 DG A 7 -9.138 6.469 -5.974 1.00 0.00 O ATOM 198 O5' DG A 7 -8.753 3.991 -6.030 1.00 0.00 O ATOM 199 C5' DG A 7 -9.459 2.801 -5.661 1.00 0.00 C ATOM 200 C4' DG A 7 -9.333 2.508 -4.166 1.00 0.00 C ATOM 201 O4' DG A 7 -8.082 1.826 -3.873 1.00 0.00 O ATOM 202 C3' DG A 7 -9.374 3.794 -3.340 1.00 0.00 C ATOM 203 O3' DG A 7 -10.550 3.795 -2.524 1.00 0.00 O ATOM 204 C2' DG A 7 -8.134 3.777 -2.495 1.00 0.00 C ATOM 205 C1' DG A 7 -7.555 2.391 -2.652 1.00 0.00 C ATOM 206 N9 DG A 7 -6.084 2.440 -2.681 1.00 0.00 N ATOM 207 C8 DG A 7 -5.235 2.426 -3.739 1.00 0.00 C ATOM 208 N7 DG A 7 -3.968 2.469 -3.488 1.00 0.00 N ATOM 209 C5 DG A 7 -3.956 2.519 -2.091 1.00 0.00 C ATOM 210 C6 DG A 7 -2.860 2.582 -1.189 1.00 0.00 C ATOM 211 O6 DG A 7 -1.658 2.605 -1.451 1.00 0.00 O ATOM 212 N1 DG A 7 -3.287 2.620 0.131 1.00 0.00 N ATOM 213 C2 DG A 7 -4.605 2.599 0.541 1.00 0.00 C ATOM 214 N2 DG A 7 -4.815 2.652 1.854 1.00 0.00 N ATOM 215 N3 DG A 7 -5.641 2.541 -0.299 1.00 0.00 N ATOM 216 C4 DG A 7 -5.249 2.503 -1.591 1.00 0.00 C ATOM 0 H5' DG A 7 -9.071 1.957 -6.231 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.512 2.906 -5.923 1.00 0.00 H new ATOM 0 H4' DG A 7 -10.178 1.873 -3.900 1.00 0.00 H new ATOM 0 H3' DG A 7 -9.407 4.688 -3.962 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.425 4.537 -2.823 1.00 0.00 H new ATOM 0 H2'' DG A 7 -8.368 3.988 -1.452 1.00 0.00 H new ATOM 0 H1' DG A 7 -7.835 1.767 -1.804 1.00 0.00 H new ATOM 0 H8 DG A 7 -5.604 2.381 -4.753 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.570 2.667 0.855 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.767 2.640 2.219 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.024 2.705 2.495 1.00 0.00 H new ATOM 228 P DG A 8 -11.043 5.148 -1.805 1.00 0.00 P ATOM 229 OP1 DG A 8 -12.511 5.077 -1.640 1.00 0.00 O ATOM 230 OP2 DG A 8 -10.434 6.297 -2.511 1.00 0.00 O ATOM 231 O5' DG A 8 -10.365 5.032 -0.348 1.00 0.00 O ATOM 232 C5' DG A 8 -10.524 3.845 0.433 1.00 0.00 C ATOM 233 C4' DG A 8 -9.942 4.006 1.836 1.00 0.00 C ATOM 234 O4' DG A 8 -8.494 3.829 1.825 1.00 0.00 O ATOM 235 C3' DG A 8 -10.237 5.395 2.401 1.00 0.00 C ATOM 236 O3' DG A 8 -10.865 5.239 3.677 1.00 0.00 O ATOM 237 C2' DG A 8 -8.911 6.065 2.533 1.00 0.00 C ATOM 238 C1' DG A 8 -7.906 4.948 2.533 1.00 0.00 C ATOM 239 N9 DG A 8 -6.660 5.382 1.903 1.00 0.00 N ATOM 240 C8 DG A 8 -6.478 5.976 0.711 1.00 0.00 C ATOM 241 N7 DG A 8 -5.268 6.282 0.372 1.00 0.00 N ATOM 242 C5 DG A 8 -4.543 5.838 1.487 1.00 0.00 C ATOM 243 C6 DG A 8 -3.146 5.883 1.749 1.00 0.00 C ATOM 244 O6 DG A 8 -2.250 6.331 1.037 1.00 0.00 O ATOM 245 N1 DG A 8 -2.844 5.330 2.990 1.00 0.00 N ATOM 246 C2 DG A 8 -3.764 4.800 3.871 1.00 0.00 C ATOM 247 N2 DG A 8 -3.278 4.330 5.019 1.00 0.00 N ATOM 248 N3 DG A 8 -5.076 4.753 3.630 1.00 0.00 N ATOM 249 C4 DG A 8 -5.395 5.285 2.429 1.00 0.00 C ATOM 0 H5' DG A 8 -10.035 3.011 -0.070 1.00 0.00 H new ATOM 0 H5'' DG A 8 -11.583 3.597 0.505 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.410 3.243 2.458 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.902 5.983 1.769 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.734 6.755 1.708 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.853 6.647 3.453 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.659 4.651 3.552 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.312 6.190 0.060 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.864 5.315 3.271 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.908 3.925 5.712 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.276 4.375 5.205 1.00 0.00 H new ATOM 261 P DA A 9 -11.593 6.472 4.407 1.00 0.00 P ATOM 262 OP1 DA A 9 -13.056 6.292 4.277 1.00 0.00 O ATOM 263 OP2 DA A 9 -10.956 7.726 3.947 1.00 0.00 O ATOM 264 O5' DA A 9 -11.190 6.236 5.952 1.00 0.00 O ATOM 265 C5' DA A 9 -9.918 5.670 6.302 1.00 0.00 C ATOM 266 C4' DA A 9 -10.069 4.293 6.949 1.00 0.00 C ATOM 267 O4' DA A 9 -10.646 3.339 6.013 1.00 0.00 O ATOM 268 C3' DA A 9 -8.721 3.737 7.393 1.00 0.00 C ATOM 269 O3' DA A 9 -8.505 4.011 8.780 1.00 0.00 O ATOM 270 C2' DA A 9 -8.792 2.274 7.125 1.00 0.00 C ATOM 271 C1' DA A 9 -9.878 2.105 6.084 1.00 0.00 C ATOM 272 N9 DA A 9 -9.279 1.792 4.774 1.00 0.00 N ATOM 273 C8 DA A 9 -8.088 2.185 4.267 1.00 0.00 C ATOM 274 N7 DA A 9 -7.783 1.790 3.078 1.00 0.00 N ATOM 275 C5 DA A 9 -8.908 1.035 2.738 1.00 0.00 C ATOM 276 C6 DA A 9 -9.249 0.317 1.589 1.00 0.00 C ATOM 277 N6 DA A 9 -8.459 0.246 0.519 1.00 0.00 N ATOM 278 N1 DA A 9 -10.434 -0.317 1.584 1.00 0.00 N ATOM 279 C2 DA A 9 -11.240 -0.250 2.646 1.00 0.00 C ATOM 280 N3 DA A 9 -11.018 0.403 3.785 1.00 0.00 N ATOM 281 C4 DA A 9 -9.825 1.029 3.766 1.00 0.00 C ATOM 0 H5' DA A 9 -9.399 6.339 6.988 1.00 0.00 H new ATOM 0 H5'' DA A 9 -9.299 5.586 5.409 1.00 0.00 H new ATOM 0 H4' DA A 9 -10.722 4.426 7.811 1.00 0.00 H new ATOM 0 H3' DA A 9 -7.886 4.192 6.860 1.00 0.00 H new ATOM 0 H2' DA A 9 -7.837 1.895 6.761 1.00 0.00 H new ATOM 0 H2'' DA A 9 -9.029 1.720 8.033 1.00 0.00 H new ATOM 0 H1' DA A 9 -10.536 1.281 6.360 1.00 0.00 H new ATOM 0 H8 DA A 9 -7.416 2.808 4.838 1.00 0.00 H new ATOM 0 H61 DA A 9 -8.752 -0.291 -0.297 1.00 0.00 H new ATOM 0 H62 DA A 9 -7.561 0.729 0.515 1.00 0.00 H new ATOM 0 H2 DA A 9 -12.176 -0.785 2.573 1.00 0.00 H new ATOM 293 P DG A 10 -7.034 4.402 9.312 1.00 0.00 P ATOM 294 OP1 DG A 10 -6.997 4.179 10.775 1.00 0.00 O ATOM 295 OP2 DG A 10 -6.681 5.729 8.761 1.00 0.00 O ATOM 296 O5' DG A 10 -6.090 3.298 8.609 1.00 0.00 O ATOM 297 C5' DG A 10 -6.004 1.972 9.142 1.00 0.00 C ATOM 298 C4' DG A 10 -4.581 1.410 9.064 1.00 0.00 C ATOM 299 O4' DG A 10 -4.288 0.900 7.728 1.00 0.00 O ATOM 300 C3' DG A 10 -3.530 2.473 9.394 1.00 0.00 C ATOM 301 O3' DG A 10 -2.754 2.010 10.502 1.00 0.00 O ATOM 302 C2' DG A 10 -2.685 2.599 8.169 1.00 0.00 C ATOM 303 C1' DG A 10 -2.960 1.354 7.375 1.00 0.00 C ATOM 304 N9 DG A 10 -2.835 1.628 5.935 1.00 0.00 N ATOM 305 C8 DG A 10 -3.780 1.637 4.967 1.00 0.00 C ATOM 306 N7 DG A 10 -3.404 1.928 3.768 1.00 0.00 N ATOM 307 C5 DG A 10 -2.034 2.145 3.943 1.00 0.00 C ATOM 308 C6 DG A 10 -1.039 2.505 2.995 1.00 0.00 C ATOM 309 O6 DG A 10 -1.170 2.706 1.789 1.00 0.00 O ATOM 310 N1 DG A 10 0.211 2.625 3.590 1.00 0.00 N ATOM 311 C2 DG A 10 0.477 2.422 4.929 1.00 0.00 C ATOM 312 N2 DG A 10 1.745 2.584 5.309 1.00 0.00 N ATOM 313 N3 DG A 10 -0.452 2.082 5.825 1.00 0.00 N ATOM 314 C4 DG A 10 -1.679 1.962 5.268 1.00 0.00 C ATOM 0 H5' DG A 10 -6.682 1.317 8.595 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.335 1.977 10.181 1.00 0.00 H new ATOM 0 H4' DG A 10 -4.534 0.605 9.798 1.00 0.00 H new ATOM 0 H3' DG A 10 -3.965 3.436 9.663 1.00 0.00 H new ATOM 0 H2' DG A 10 -2.943 3.493 7.602 1.00 0.00 H new ATOM 0 H2'' DG A 10 -1.628 2.678 8.425 1.00 0.00 H new ATOM 0 H1' DG A 10 -2.236 0.572 7.605 1.00 0.00 H new ATOM 0 H8 DG A 10 -4.812 1.409 5.190 1.00 0.00 H new ATOM 0 H1 DG A 10 0.994 2.884 2.990 1.00 0.00 H new ATOM 0 H21 DG A 10 2.006 2.448 6.286 1.00 0.00 H new ATOM 0 H22 DG A 10 2.454 2.844 4.623 1.00 0.00 H new ATOM 326 P DG A 11 -1.786 3.009 11.304 1.00 0.00 P ATOM 327 OP1 DG A 11 -2.417 3.321 12.606 1.00 0.00 O ATOM 328 OP2 DG A 11 -1.392 4.106 10.392 1.00 0.00 O ATOM 329 O5' DG A 11 -0.489 2.088 11.578 1.00 0.00 O ATOM 330 C5' DG A 11 0.443 1.795 10.525 1.00 0.00 C ATOM 331 C4' DG A 11 1.706 2.636 10.634 1.00 0.00 C ATOM 332 O4' DG A 11 2.039 3.158 9.326 1.00 0.00 O ATOM 333 C3' DG A 11 1.493 3.809 11.584 1.00 0.00 C ATOM 334 O3' DG A 11 2.556 3.838 12.543 1.00 0.00 O ATOM 335 C2' DG A 11 1.501 5.018 10.716 1.00 0.00 C ATOM 336 C1' DG A 11 2.181 4.585 9.442 1.00 0.00 C ATOM 337 N9 DG A 11 1.595 5.245 8.261 1.00 0.00 N ATOM 338 C8 DG A 11 0.290 5.436 7.932 1.00 0.00 C ATOM 339 N7 DG A 11 0.037 5.998 6.799 1.00 0.00 N ATOM 340 C5 DG A 11 1.323 6.214 6.292 1.00 0.00 C ATOM 341 C6 DG A 11 1.732 6.801 5.064 1.00 0.00 C ATOM 342 O6 DG A 11 1.028 7.258 4.166 1.00 0.00 O ATOM 343 N1 DG A 11 3.116 6.824 4.945 1.00 0.00 N ATOM 344 C2 DG A 11 4.003 6.344 5.888 1.00 0.00 C ATOM 345 N2 DG A 11 5.298 6.458 5.592 1.00 0.00 N ATOM 346 N3 DG A 11 3.626 5.791 7.046 1.00 0.00 N ATOM 347 C4 DG A 11 2.282 5.757 7.183 1.00 0.00 C ATOM 0 H5' DG A 11 -0.031 1.976 9.560 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.707 0.738 10.558 1.00 0.00 H new ATOM 0 H4' DG A 11 2.510 2.008 11.017 1.00 0.00 H new ATOM 0 H3' DG A 11 0.562 3.743 12.147 1.00 0.00 H new ATOM 0 H2' DG A 11 0.488 5.370 10.522 1.00 0.00 H new ATOM 0 H2'' DG A 11 2.038 5.839 11.190 1.00 0.00 H new ATOM 0 H1' DG A 11 3.232 4.870 9.483 1.00 0.00 H new ATOM 0 H8 DG A 11 -0.505 5.129 8.595 1.00 0.00 H new ATOM 0 H1 DG A 11 3.508 7.227 4.094 1.00 0.00 H new ATOM 0 H21 DG A 11 6.003 6.122 6.248 1.00 0.00 H new ATOM 0 H22 DG A 11 5.584 6.881 4.709 1.00 0.00 H new ATOM 359 P DA A 12 2.274 3.485 14.091 1.00 0.00 P ATOM 360 OP1 DA A 12 1.011 4.141 14.493 1.00 0.00 O ATOM 361 OP2 DA A 12 3.514 3.742 14.856 1.00 0.00 O ATOM 362 O5' DA A 12 2.025 1.891 14.057 1.00 0.00 O ATOM 363 C5' DA A 12 0.707 1.361 13.875 1.00 0.00 C ATOM 364 C4' DA A 12 0.714 0.159 12.928 1.00 0.00 C ATOM 365 O4' DA A 12 1.708 0.380 11.895 1.00 0.00 O ATOM 366 C3' DA A 12 1.068 -1.138 13.647 1.00 0.00 C ATOM 367 O3' DA A 12 0.201 -2.172 13.160 1.00 0.00 O ATOM 368 C2' DA A 12 2.482 -1.421 13.253 1.00 0.00 C ATOM 369 C1' DA A 12 2.671 -0.690 11.942 1.00 0.00 C ATOM 370 N9 DA A 12 4.017 -0.126 11.844 1.00 0.00 N ATOM 371 C8 DA A 12 4.728 0.513 12.786 1.00 0.00 C ATOM 372 N7 DA A 12 5.891 0.967 12.457 1.00 0.00 N ATOM 373 C5 DA A 12 5.966 0.584 11.113 1.00 0.00 C ATOM 374 C6 DA A 12 6.945 0.752 10.129 1.00 0.00 C ATOM 375 N6 DA A 12 8.102 1.375 10.350 1.00 0.00 N ATOM 376 N1 DA A 12 6.686 0.251 8.908 1.00 0.00 N ATOM 377 C2 DA A 12 5.533 -0.377 8.667 1.00 0.00 C ATOM 378 N3 DA A 12 4.542 -0.594 9.523 1.00 0.00 N ATOM 379 C4 DA A 12 4.824 -0.084 10.735 1.00 0.00 C ATOM 0 H5' DA A 12 0.053 2.137 13.476 1.00 0.00 H new ATOM 0 H5'' DA A 12 0.296 1.063 14.840 1.00 0.00 H new ATOM 0 H4' DA A 12 -0.289 0.063 12.512 1.00 0.00 H new ATOM 0 H3' DA A 12 0.958 -1.078 14.730 1.00 0.00 H new ATOM 0 H2' DA A 12 3.182 -1.065 14.009 1.00 0.00 H new ATOM 0 H2'' DA A 12 2.654 -2.491 13.138 1.00 0.00 H new ATOM 0 H1' DA A 12 2.534 -1.386 11.115 1.00 0.00 H new ATOM 0 H8 DA A 12 4.340 0.643 13.786 1.00 0.00 H new ATOM 0 H61 DA A 12 8.782 1.470 9.596 1.00 0.00 H new ATOM 0 H62 DA A 12 8.307 1.757 11.273 1.00 0.00 H new ATOM 0 H2 DA A 12 5.391 -0.750 7.664 1.00 0.00 H new ATOM 391 P DG A 13 -1.357 -2.214 13.564 1.00 0.00 P ATOM 392 OP1 DG A 13 -1.799 -0.831 13.851 1.00 0.00 O ATOM 393 OP2 DG A 13 -1.542 -3.273 14.581 1.00 0.00 O ATOM 394 O5' DG A 13 -2.066 -2.698 12.194 1.00 0.00 O ATOM 395 C5' DG A 13 -1.758 -2.074 10.937 1.00 0.00 C ATOM 396 C4' DG A 13 -2.953 -2.091 9.986 1.00 0.00 C ATOM 397 O4' DG A 13 -2.675 -1.293 8.803 1.00 0.00 O ATOM 398 C3' DG A 13 -3.289 -3.508 9.533 1.00 0.00 C ATOM 399 O3' DG A 13 -4.573 -3.869 10.051 1.00 0.00 O ATOM 400 C2' DG A 13 -3.295 -3.488 8.040 1.00 0.00 C ATOM 401 C1' DG A 13 -3.049 -2.059 7.632 1.00 0.00 C ATOM 402 N9 DG A 13 -2.004 -1.975 6.592 1.00 0.00 N ATOM 403 C8 DG A 13 -0.671 -2.221 6.672 1.00 0.00 C ATOM 404 N7 DG A 13 0.030 -2.066 5.599 1.00 0.00 N ATOM 405 C5 DG A 13 -0.940 -1.666 4.677 1.00 0.00 C ATOM 406 C6 DG A 13 -0.809 -1.336 3.301 1.00 0.00 C ATOM 407 O6 DG A 13 0.207 -1.334 2.612 1.00 0.00 O ATOM 408 N1 DG A 13 -2.032 -0.984 2.742 1.00 0.00 N ATOM 409 C2 DG A 13 -3.236 -0.952 3.418 1.00 0.00 C ATOM 410 N2 DG A 13 -4.302 -0.585 2.707 1.00 0.00 N ATOM 411 N3 DG A 13 -3.367 -1.262 4.711 1.00 0.00 N ATOM 412 C4 DG A 13 -2.190 -1.607 5.278 1.00 0.00 C ATOM 0 H5' DG A 13 -0.917 -2.589 10.473 1.00 0.00 H new ATOM 0 H5'' DG A 13 -1.446 -1.044 11.110 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.799 -1.676 10.534 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.567 -4.240 9.894 1.00 0.00 H new ATOM 0 H2' DG A 13 -2.522 -4.144 7.640 1.00 0.00 H new ATOM 0 H2'' DG A 13 -4.249 -3.844 7.651 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.963 -1.646 7.205 1.00 0.00 H new ATOM 0 H8 DG A 13 -0.214 -2.535 7.599 1.00 0.00 H new ATOM 0 H1 DG A 13 -2.041 -0.729 1.754 1.00 0.00 H new ATOM 0 H21 DG A 13 -5.220 -0.542 3.150 1.00 0.00 H new ATOM 0 H22 DG A 13 -4.200 -0.347 1.720 1.00 0.00 H new ATOM 424 P DG A 14 -5.058 -5.402 10.042 1.00 0.00 P ATOM 425 OP1 DG A 14 -5.940 -5.616 11.211 1.00 0.00 O ATOM 426 OP2 DG A 14 -3.872 -6.264 9.843 1.00 0.00 O ATOM 427 O5' DG A 14 -5.960 -5.469 8.710 1.00 0.00 O ATOM 428 C5' DG A 14 -6.909 -4.438 8.419 1.00 0.00 C ATOM 429 C4' DG A 14 -7.453 -4.572 6.998 1.00 0.00 C ATOM 430 O4' DG A 14 -6.508 -4.024 6.027 1.00 0.00 O ATOM 431 C3' DG A 14 -7.681 -6.040 6.647 1.00 0.00 C ATOM 432 O3' DG A 14 -8.985 -6.180 6.074 1.00 0.00 O ATOM 433 C2' DG A 14 -6.619 -6.369 5.650 1.00 0.00 C ATOM 434 C1' DG A 14 -6.253 -5.049 5.035 1.00 0.00 C ATOM 435 N9 DG A 14 -4.850 -5.055 4.609 1.00 0.00 N ATOM 436 C8 DG A 14 -3.739 -5.274 5.339 1.00 0.00 C ATOM 437 N7 DG A 14 -2.602 -5.247 4.725 1.00 0.00 N ATOM 438 C5 DG A 14 -2.999 -4.978 3.409 1.00 0.00 C ATOM 439 C6 DG A 14 -2.219 -4.825 2.230 1.00 0.00 C ATOM 440 O6 DG A 14 -0.998 -4.895 2.110 1.00 0.00 O ATOM 441 N1 DG A 14 -3.016 -4.565 1.120 1.00 0.00 N ATOM 442 C2 DG A 14 -4.392 -4.465 1.137 1.00 0.00 C ATOM 443 N2 DG A 14 -4.981 -4.223 -0.034 1.00 0.00 N ATOM 444 N3 DG A 14 -5.132 -4.606 2.240 1.00 0.00 N ATOM 445 C4 DG A 14 -4.377 -4.860 3.333 1.00 0.00 C ATOM 0 H5' DG A 14 -6.438 -3.462 8.540 1.00 0.00 H new ATOM 0 H5'' DG A 14 -7.732 -4.486 9.132 1.00 0.00 H new ATOM 0 H4' DG A 14 -8.393 -4.022 6.958 1.00 0.00 H new ATOM 0 H3' DG A 14 -7.629 -6.703 7.511 1.00 0.00 H new ATOM 0 H2' DG A 14 -5.758 -6.836 6.128 1.00 0.00 H new ATOM 0 H2'' DG A 14 -6.984 -7.069 4.898 1.00 0.00 H new ATOM 0 H1' DG A 14 -6.849 -4.854 4.143 1.00 0.00 H new ATOM 0 H8 DG A 14 -3.796 -5.465 6.400 1.00 0.00 H new ATOM 0 H1 DG A 14 -2.546 -4.438 0.223 1.00 0.00 H new ATOM 0 H21 DG A 14 -5.996 -4.138 -0.086 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.417 -4.123 -0.878 1.00 0.00 H new ATOM 457 P DA A 15 -9.664 -7.629 5.906 1.00 0.00 P ATOM 458 OP1 DA A 15 -10.705 -7.778 6.946 1.00 0.00 O ATOM 459 OP2 DA A 15 -8.585 -8.636 5.791 1.00 0.00 O ATOM 460 O5' DA A 15 -10.395 -7.505 4.473 1.00 0.00 O ATOM 461 C5' DA A 15 -9.864 -6.656 3.448 1.00 0.00 C ATOM 462 C4' DA A 15 -10.771 -5.454 3.186 1.00 0.00 C ATOM 463 O4' DA A 15 -10.652 -4.472 4.256 1.00 0.00 O ATOM 464 C3' DA A 15 -10.405 -4.757 1.882 1.00 0.00 C ATOM 465 O3' DA A 15 -11.274 -5.194 0.836 1.00 0.00 O ATOM 466 C2' DA A 15 -10.569 -3.298 2.153 1.00 0.00 C ATOM 467 C1' DA A 15 -10.484 -3.157 3.659 1.00 0.00 C ATOM 468 N9 DA A 15 -9.184 -2.578 4.063 1.00 0.00 N ATOM 469 C8 DA A 15 -7.970 -2.652 3.457 1.00 0.00 C ATOM 470 N7 DA A 15 -6.977 -2.069 4.037 1.00 0.00 N ATOM 471 C5 DA A 15 -7.588 -1.535 5.174 1.00 0.00 C ATOM 472 C6 DA A 15 -7.099 -0.782 6.244 1.00 0.00 C ATOM 473 N6 DA A 15 -5.825 -0.417 6.350 1.00 0.00 N ATOM 474 N1 DA A 15 -7.972 -0.421 7.198 1.00 0.00 N ATOM 475 C2 DA A 15 -9.253 -0.777 7.110 1.00 0.00 C ATOM 476 N3 DA A 15 -9.825 -1.490 6.143 1.00 0.00 N ATOM 477 C4 DA A 15 -8.930 -1.840 5.198 1.00 0.00 C ATOM 0 H5' DA A 15 -9.742 -7.228 2.528 1.00 0.00 H new ATOM 0 H5'' DA A 15 -8.873 -6.308 3.740 1.00 0.00 H new ATOM 0 H4' DA A 15 -11.790 -5.838 3.131 1.00 0.00 H new ATOM 0 H3' DA A 15 -9.389 -4.984 1.558 1.00 0.00 H new ATOM 0 H2' DA A 15 -9.790 -2.717 1.659 1.00 0.00 H new ATOM 0 H2'' DA A 15 -11.525 -2.934 1.778 1.00 0.00 H new ATOM 0 H1' DA A 15 -11.269 -2.484 4.004 1.00 0.00 H new ATOM 0 H8 DA A 15 -7.842 -3.180 2.524 1.00 0.00 H new ATOM 0 H61 DA A 15 -5.517 0.133 7.152 1.00 0.00 H new ATOM 0 H62 DA A 15 -5.155 -0.687 5.630 1.00 0.00 H new ATOM 0 H2 DA A 15 -9.898 -0.451 7.912 1.00 0.00 H new ATOM 489 P DG A 16 -10.892 -4.891 -0.698 1.00 0.00 P ATOM 490 OP1 DG A 16 -12.134 -4.541 -1.424 1.00 0.00 O ATOM 491 OP2 DG A 16 -10.035 -5.992 -1.189 1.00 0.00 O ATOM 492 O5' DG A 16 -9.989 -3.561 -0.572 1.00 0.00 O ATOM 493 C5' DG A 16 -10.443 -2.317 -1.112 1.00 0.00 C ATOM 494 C4' DG A 16 -9.491 -1.788 -2.181 1.00 0.00 C ATOM 495 O4' DG A 16 -8.369 -1.093 -1.573 1.00 0.00 O ATOM 496 C3' DG A 16 -8.935 -2.921 -3.044 1.00 0.00 C ATOM 497 O3' DG A 16 -9.442 -2.796 -4.375 1.00 0.00 O ATOM 498 C2' DG A 16 -7.444 -2.768 -3.008 1.00 0.00 C ATOM 499 C1' DG A 16 -7.181 -1.450 -2.315 1.00 0.00 C ATOM 500 N9 DG A 16 -6.022 -1.561 -1.413 1.00 0.00 N ATOM 501 C8 DG A 16 -5.981 -1.627 -0.059 1.00 0.00 C ATOM 502 N7 DG A 16 -4.823 -1.737 0.499 1.00 0.00 N ATOM 503 C5 DG A 16 -3.973 -1.748 -0.610 1.00 0.00 C ATOM 504 C6 DG A 16 -2.558 -1.852 -0.671 1.00 0.00 C ATOM 505 O6 DG A 16 -1.761 -1.953 0.258 1.00 0.00 O ATOM 506 N1 DG A 16 -2.103 -1.825 -1.982 1.00 0.00 N ATOM 507 C2 DG A 16 -2.904 -1.711 -3.101 1.00 0.00 C ATOM 508 N2 DG A 16 -2.279 -1.695 -4.276 1.00 0.00 N ATOM 509 N3 DG A 16 -4.234 -1.615 -3.052 1.00 0.00 N ATOM 510 C4 DG A 16 -4.701 -1.639 -1.784 1.00 0.00 C ATOM 0 H5' DG A 16 -10.535 -1.584 -0.311 1.00 0.00 H new ATOM 0 H5'' DG A 16 -11.437 -2.447 -1.541 1.00 0.00 H new ATOM 0 H4' DG A 16 -10.066 -1.103 -2.804 1.00 0.00 H new ATOM 0 H3' DG A 16 -9.228 -3.906 -2.681 1.00 0.00 H new ATOM 0 H2' DG A 16 -6.979 -3.593 -2.468 1.00 0.00 H new ATOM 0 H2'' DG A 16 -7.026 -2.770 -4.015 1.00 0.00 H new ATOM 0 H1' DG A 16 -6.951 -0.679 -3.050 1.00 0.00 H new ATOM 0 H8 DG A 16 -6.885 -1.589 0.531 1.00 0.00 H new ATOM 0 H1 DG A 16 -1.096 -1.895 -2.131 1.00 0.00 H new ATOM 0 H21 DG A 16 -2.817 -1.613 -5.139 1.00 0.00 H new ATOM 0 H22 DG A 16 -1.262 -1.765 -4.314 1.00 0.00 H new ATOM 522 P DG A 17 -9.833 -4.105 -5.226 1.00 0.00 P ATOM 523 OP1 DG A 17 -11.019 -3.785 -6.050 1.00 0.00 O ATOM 524 OP2 DG A 17 -9.862 -5.264 -4.306 1.00 0.00 O ATOM 525 O5' DG A 17 -8.568 -4.273 -6.206 1.00 0.00 O ATOM 526 C5' DG A 17 -8.137 -3.180 -7.018 1.00 0.00 C ATOM 527 C4' DG A 17 -6.745 -3.423 -7.596 1.00 0.00 C ATOM 528 O4' DG A 17 -5.711 -3.126 -6.609 1.00 0.00 O ATOM 529 C3' DG A 17 -6.571 -4.874 -8.034 1.00 0.00 C ATOM 530 O3' DG A 17 -6.154 -4.881 -9.403 1.00 0.00 O ATOM 531 C2' DG A 17 -5.510 -5.434 -7.151 1.00 0.00 C ATOM 532 C1' DG A 17 -4.784 -4.237 -6.606 1.00 0.00 C ATOM 533 N9 DG A 17 -4.269 -4.515 -5.263 1.00 0.00 N ATOM 534 C8 DG A 17 -4.913 -5.002 -4.186 1.00 0.00 C ATOM 535 N7 DG A 17 -4.221 -5.193 -3.109 1.00 0.00 N ATOM 536 C5 DG A 17 -2.944 -4.782 -3.520 1.00 0.00 C ATOM 537 C6 DG A 17 -1.716 -4.747 -2.801 1.00 0.00 C ATOM 538 O6 DG A 17 -1.505 -5.073 -1.636 1.00 0.00 O ATOM 539 N1 DG A 17 -0.675 -4.268 -3.594 1.00 0.00 N ATOM 540 C2 DG A 17 -0.797 -3.874 -4.911 1.00 0.00 C ATOM 541 N2 DG A 17 0.316 -3.443 -5.504 1.00 0.00 N ATOM 542 N3 DG A 17 -1.945 -3.905 -5.590 1.00 0.00 N ATOM 543 C4 DG A 17 -2.971 -4.366 -4.840 1.00 0.00 C ATOM 0 H5' DG A 17 -8.130 -2.266 -6.425 1.00 0.00 H new ATOM 0 H5'' DG A 17 -8.847 -3.028 -7.831 1.00 0.00 H new ATOM 0 H4' DG A 17 -6.645 -2.763 -8.457 1.00 0.00 H new ATOM 0 H3' DG A 17 -7.486 -5.461 -7.955 1.00 0.00 H new ATOM 0 H2' DG A 17 -5.940 -6.033 -6.349 1.00 0.00 H new ATOM 0 H2'' DG A 17 -4.836 -6.084 -7.708 1.00 0.00 H new ATOM 0 H1' DG A 17 -3.920 -3.992 -7.224 1.00 0.00 H new ATOM 0 H8 DG A 17 -5.969 -5.225 -4.219 1.00 0.00 H new ATOM 0 H1 DG A 17 0.249 -4.204 -3.168 1.00 0.00 H new ATOM 0 H21 DG A 17 0.290 -3.138 -6.477 1.00 0.00 H new ATOM 0 H22 DG A 17 1.194 -3.418 -4.985 1.00 0.00 H new ATOM 555 P DA A 18 -6.177 -6.229 -10.279 1.00 0.00 P ATOM 556 OP1 DA A 18 -7.348 -6.176 -11.182 1.00 0.00 O ATOM 557 OP2 DA A 18 -5.999 -7.379 -9.365 1.00 0.00 O ATOM 558 O5' DA A 18 -4.840 -6.077 -11.170 1.00 0.00 O ATOM 559 C5' DA A 18 -3.677 -5.415 -10.648 1.00 0.00 C ATOM 560 C4' DA A 18 -3.441 -4.064 -11.325 1.00 0.00 C ATOM 561 O4' DA A 18 -4.399 -3.072 -10.853 1.00 0.00 O ATOM 562 C3' DA A 18 -2.046 -3.529 -11.028 1.00 0.00 C ATOM 563 O3' DA A 18 -1.159 -3.847 -12.102 1.00 0.00 O ATOM 564 C2' DA A 18 -2.215 -2.052 -10.881 1.00 0.00 C ATOM 565 C1' DA A 18 -3.681 -1.842 -10.554 1.00 0.00 C ATOM 566 N9 DA A 18 -3.853 -1.483 -9.132 1.00 0.00 N ATOM 567 C8 DA A 18 -3.050 -1.738 -8.071 1.00 0.00 C ATOM 568 N7 DA A 18 -3.447 -1.338 -6.910 1.00 0.00 N ATOM 569 C5 DA A 18 -4.670 -0.738 -7.225 1.00 0.00 C ATOM 570 C6 DA A 18 -5.638 -0.099 -6.444 1.00 0.00 C ATOM 571 N6 DA A 18 -5.531 0.040 -5.123 1.00 0.00 N ATOM 572 N1 DA A 18 -6.726 0.379 -7.074 1.00 0.00 N ATOM 573 C2 DA A 18 -6.858 0.237 -8.394 1.00 0.00 C ATOM 574 N3 DA A 18 -6.005 -0.351 -9.229 1.00 0.00 N ATOM 575 C4 DA A 18 -4.924 -0.820 -8.574 1.00 0.00 C ATOM 0 H5' DA A 18 -2.803 -6.050 -10.790 1.00 0.00 H new ATOM 0 H5'' DA A 18 -3.794 -5.268 -9.574 1.00 0.00 H new ATOM 0 H4' DA A 18 -3.557 -4.229 -12.396 1.00 0.00 H new ATOM 0 H3' DA A 18 -1.614 -3.969 -10.129 1.00 0.00 H new ATOM 0 H2' DA A 18 -1.576 -1.661 -10.089 1.00 0.00 H new ATOM 0 H2'' DA A 18 -1.939 -1.532 -11.799 1.00 0.00 H new ATOM 0 H1' DA A 18 -4.076 -1.022 -11.154 1.00 0.00 H new ATOM 0 H8 DA A 18 -2.111 -2.258 -8.192 1.00 0.00 H new ATOM 0 H61 DA A 18 -6.266 0.515 -4.599 1.00 0.00 H new ATOM 0 H62 DA A 18 -4.714 -0.329 -4.636 1.00 0.00 H new ATOM 0 H2 DA A 18 -7.757 0.644 -8.833 1.00 0.00 H new ATOM 587 P DG A 19 0.434 -3.742 -11.893 1.00 0.00 P ATOM 588 OP1 DG A 19 1.047 -3.366 -13.187 1.00 0.00 O ATOM 589 OP2 DG A 19 0.889 -4.961 -11.190 1.00 0.00 O ATOM 590 O5' DG A 19 0.580 -2.492 -10.882 1.00 0.00 O ATOM 591 C5' DG A 19 1.487 -1.423 -11.179 1.00 0.00 C ATOM 592 C4' DG A 19 2.572 -1.280 -10.113 1.00 0.00 C ATOM 593 O4' DG A 19 2.091 -0.510 -8.977 1.00 0.00 O ATOM 594 C3' DG A 19 3.038 -2.642 -9.593 1.00 0.00 C ATOM 595 O3' DG A 19 4.407 -2.838 -9.954 1.00 0.00 O ATOM 596 C2' DG A 19 2.882 -2.587 -8.103 1.00 0.00 C ATOM 597 C1' DG A 19 2.604 -1.140 -7.783 1.00 0.00 C ATOM 598 N9 DG A 19 1.662 -1.008 -6.661 1.00 0.00 N ATOM 599 C8 DG A 19 0.308 -0.937 -6.664 1.00 0.00 C ATOM 600 N7 DG A 19 -0.283 -0.781 -5.526 1.00 0.00 N ATOM 601 C5 DG A 19 0.803 -0.742 -4.643 1.00 0.00 C ATOM 602 C6 DG A 19 0.827 -0.589 -3.232 1.00 0.00 C ATOM 603 O6 DG A 19 -0.121 -0.447 -2.464 1.00 0.00 O ATOM 604 N1 DG A 19 2.126 -0.605 -2.738 1.00 0.00 N ATOM 605 C2 DG A 19 3.265 -0.752 -3.504 1.00 0.00 C ATOM 606 N2 DG A 19 4.424 -0.747 -2.847 1.00 0.00 N ATOM 607 N3 DG A 19 3.251 -0.896 -4.831 1.00 0.00 N ATOM 608 C4 DG A 19 1.995 -0.882 -5.334 1.00 0.00 C ATOM 0 H5' DG A 19 0.932 -0.488 -11.259 1.00 0.00 H new ATOM 0 H5'' DG A 19 1.952 -1.601 -12.148 1.00 0.00 H new ATOM 0 H4' DG A 19 3.406 -0.766 -10.592 1.00 0.00 H new ATOM 0 H3' DG A 19 2.464 -3.468 -10.013 1.00 0.00 H new ATOM 0 H2' DG A 19 2.065 -3.227 -7.770 1.00 0.00 H new ATOM 0 H2'' DG A 19 3.785 -2.934 -7.600 1.00 0.00 H new ATOM 0 H1' DG A 19 3.525 -0.648 -7.470 1.00 0.00 H new ATOM 0 H8 DG A 19 -0.255 -1.008 -7.583 1.00 0.00 H new ATOM 0 H1 DG A 19 2.247 -0.500 -1.731 1.00 0.00 H new ATOM 0 H21 DG A 19 5.300 -0.852 -3.358 1.00 0.00 H new ATOM 0 H22 DG A 19 4.435 -0.638 -1.833 1.00 0.00 H new ATOM 620 P DG A 20 5.084 -4.291 -9.827 1.00 0.00 P ATOM 621 OP1 DG A 20 6.297 -4.314 -10.676 1.00 0.00 O ATOM 622 OP2 DG A 20 4.030 -5.313 -10.018 1.00 0.00 O ATOM 623 O5' DG A 20 5.546 -4.321 -8.283 1.00 0.00 O ATOM 624 C5' DG A 20 6.741 -3.653 -7.867 1.00 0.00 C ATOM 625 C4' DG A 20 7.190 -4.115 -6.481 1.00 0.00 C ATOM 626 O4' DG A 20 6.429 -3.437 -5.434 1.00 0.00 O ATOM 627 C3' DG A 20 6.977 -5.620 -6.317 1.00 0.00 C ATOM 628 O3' DG A 20 8.177 -6.209 -5.807 1.00 0.00 O ATOM 629 C2' DG A 20 5.870 -5.747 -5.321 1.00 0.00 C ATOM 630 C1' DG A 20 5.902 -4.454 -4.550 1.00 0.00 C ATOM 631 N9 DG A 20 4.566 -4.107 -4.053 1.00 0.00 N ATOM 632 C8 DG A 20 3.397 -4.033 -4.721 1.00 0.00 C ATOM 633 N7 DG A 20 2.339 -3.729 -4.046 1.00 0.00 N ATOM 634 C5 DG A 20 2.858 -3.578 -2.755 1.00 0.00 C ATOM 635 C6 DG A 20 2.202 -3.245 -1.540 1.00 0.00 C ATOM 636 O6 DG A 20 1.010 -3.009 -1.357 1.00 0.00 O ATOM 637 N1 DG A 20 3.095 -3.200 -0.475 1.00 0.00 N ATOM 638 C2 DG A 20 4.451 -3.445 -0.562 1.00 0.00 C ATOM 639 N2 DG A 20 5.140 -3.358 0.575 1.00 0.00 N ATOM 640 N3 DG A 20 5.074 -3.759 -1.702 1.00 0.00 N ATOM 641 C4 DG A 20 4.225 -3.808 -2.754 1.00 0.00 C ATOM 0 H5' DG A 20 6.571 -2.576 -7.855 1.00 0.00 H new ATOM 0 H5'' DG A 20 7.535 -3.843 -8.589 1.00 0.00 H new ATOM 0 H4' DG A 20 8.249 -3.873 -6.389 1.00 0.00 H new ATOM 0 H3' DG A 20 6.734 -6.120 -7.255 1.00 0.00 H new ATOM 0 H2' DG A 20 4.908 -5.891 -5.813 1.00 0.00 H new ATOM 0 H2'' DG A 20 6.024 -6.604 -4.665 1.00 0.00 H new ATOM 0 H1' DG A 20 6.539 -4.545 -3.670 1.00 0.00 H new ATOM 0 H8 DG A 20 3.347 -4.221 -5.783 1.00 0.00 H new ATOM 0 H1 DG A 20 2.718 -2.967 0.444 1.00 0.00 H new ATOM 0 H21 DG A 20 6.146 -3.528 0.576 1.00 0.00 H new ATOM 0 H22 DG A 20 4.662 -3.121 1.444 1.00 0.00 H new ATOM 653 P DA A 21 9.474 -6.395 -6.739 1.00 0.00 P ATOM 654 OP1 DA A 21 9.366 -5.460 -7.881 1.00 0.00 O ATOM 655 OP2 DA A 21 9.670 -7.841 -6.983 1.00 0.00 O ATOM 656 O5' DA A 21 10.656 -5.880 -5.772 1.00 0.00 O ATOM 657 C5' DA A 21 10.390 -5.591 -4.393 1.00 0.00 C ATOM 658 C4' DA A 21 11.044 -4.281 -3.953 1.00 0.00 C ATOM 659 O4' DA A 21 10.752 -3.212 -4.897 1.00 0.00 O ATOM 660 C3' DA A 21 10.543 -3.838 -2.585 1.00 0.00 C ATOM 661 O3' DA A 21 11.459 -4.264 -1.573 1.00 0.00 O ATOM 662 C2' DA A 21 10.467 -2.348 -2.663 1.00 0.00 C ATOM 663 C1' DA A 21 10.401 -2.019 -4.145 1.00 0.00 C ATOM 664 N9 DA A 21 9.052 -1.554 -4.531 1.00 0.00 N ATOM 665 C8 DA A 21 7.860 -1.712 -3.903 1.00 0.00 C ATOM 666 N7 DA A 21 6.817 -1.197 -4.463 1.00 0.00 N ATOM 667 C5 DA A 21 7.370 -0.622 -5.611 1.00 0.00 C ATOM 668 C6 DA A 21 6.813 0.097 -6.672 1.00 0.00 C ATOM 669 N6 DA A 21 5.517 0.385 -6.754 1.00 0.00 N ATOM 670 N1 DA A 21 7.645 0.515 -7.641 1.00 0.00 N ATOM 671 C2 DA A 21 8.949 0.242 -7.574 1.00 0.00 C ATOM 672 N3 DA A 21 9.582 -0.429 -6.618 1.00 0.00 N ATOM 673 C4 DA A 21 8.729 -0.837 -5.659 1.00 0.00 C ATOM 0 H5' DA A 21 10.758 -6.408 -3.772 1.00 0.00 H new ATOM 0 H5'' DA A 21 9.313 -5.531 -4.235 1.00 0.00 H new ATOM 0 H4' DA A 21 12.117 -4.470 -3.911 1.00 0.00 H new ATOM 0 H3' DA A 21 9.575 -4.268 -2.329 1.00 0.00 H new ATOM 0 H2' DA A 21 9.588 -1.972 -2.139 1.00 0.00 H new ATOM 0 H2'' DA A 21 11.338 -1.886 -2.197 1.00 0.00 H new ATOM 0 H1' DA A 21 11.101 -1.213 -4.364 1.00 0.00 H new ATOM 0 H8 DA A 21 7.786 -2.249 -2.969 1.00 0.00 H new ATOM 0 H61 DA A 21 5.161 0.913 -7.551 1.00 0.00 H new ATOM 0 H62 DA A 21 4.879 0.077 -6.020 1.00 0.00 H new ATOM 0 H2 DA A 21 9.558 0.607 -8.388 1.00 0.00 H new ATOM 685 P DG A 22 10.981 -4.361 -0.040 1.00 0.00 P ATOM 686 OP1 DG A 22 12.178 -4.265 0.825 1.00 0.00 O ATOM 687 OP2 DG A 22 10.067 -5.517 0.090 1.00 0.00 O ATOM 688 O5' DG A 22 10.117 -3.012 0.144 1.00 0.00 O ATOM 689 C5' DG A 22 10.683 -1.869 0.792 1.00 0.00 C ATOM 690 C4' DG A 22 9.815 -1.391 1.954 1.00 0.00 C ATOM 691 O4' DG A 22 8.711 -0.570 1.481 1.00 0.00 O ATOM 692 C3' DG A 22 9.226 -2.570 2.729 1.00 0.00 C ATOM 693 O3' DG A 22 9.806 -2.613 4.037 1.00 0.00 O ATOM 694 C2' DG A 22 7.748 -2.315 2.798 1.00 0.00 C ATOM 695 C1' DG A 22 7.548 -0.913 2.269 1.00 0.00 C ATOM 696 N9 DG A 22 6.319 -0.821 1.460 1.00 0.00 N ATOM 697 C8 DG A 22 6.166 -0.846 0.115 1.00 0.00 C ATOM 698 N7 DG A 22 4.971 -0.713 -0.355 1.00 0.00 N ATOM 699 C5 DG A 22 4.217 -0.583 0.815 1.00 0.00 C ATOM 700 C6 DG A 22 2.817 -0.406 0.980 1.00 0.00 C ATOM 701 O6 DG A 22 1.952 -0.324 0.111 1.00 0.00 O ATOM 702 N1 DG A 22 2.469 -0.322 2.322 1.00 0.00 N ATOM 703 C2 DG A 22 3.350 -0.399 3.380 1.00 0.00 C ATOM 704 N2 DG A 22 2.816 -0.310 4.599 1.00 0.00 N ATOM 705 N3 DG A 22 4.671 -0.565 3.234 1.00 0.00 N ATOM 706 C4 DG A 22 5.035 -0.650 1.933 1.00 0.00 C ATOM 0 H5' DG A 22 10.800 -1.062 0.069 1.00 0.00 H new ATOM 0 H5'' DG A 22 11.679 -2.115 1.159 1.00 0.00 H new ATOM 0 H4' DG A 22 10.463 -0.806 2.606 1.00 0.00 H new ATOM 0 H3' DG A 22 9.430 -3.529 2.252 1.00 0.00 H new ATOM 0 H2' DG A 22 7.197 -3.041 2.200 1.00 0.00 H new ATOM 0 H2'' DG A 22 7.383 -2.403 3.821 1.00 0.00 H new ATOM 0 H1' DG A 22 7.433 -0.214 3.097 1.00 0.00 H new ATOM 0 H8 DG A 22 7.014 -0.973 -0.542 1.00 0.00 H new ATOM 0 H1 DG A 22 1.482 -0.193 2.543 1.00 0.00 H new ATOM 0 H21 DG A 22 3.415 -0.360 5.423 1.00 0.00 H new ATOM 0 H22 DG A 22 1.809 -0.192 4.707 1.00 0.00 H new ATOM 718 P DG A 23 10.822 -3.795 4.447 1.00 0.00 P ATOM 719 OP1 DG A 23 12.187 -3.229 4.514 1.00 0.00 O ATOM 720 OP2 DG A 23 10.549 -4.961 3.578 1.00 0.00 O ATOM 721 O5' DG A 23 10.353 -4.160 5.944 1.00 0.00 O ATOM 722 C5' DG A 23 9.119 -3.659 6.468 1.00 0.00 C ATOM 723 C4' DG A 23 8.189 -4.793 6.901 1.00 0.00 C ATOM 724 O4' DG A 23 6.795 -4.419 6.700 1.00 0.00 O ATOM 725 C3' DG A 23 8.458 -6.066 6.097 1.00 0.00 C ATOM 726 O3' DG A 23 8.909 -7.094 6.983 1.00 0.00 O ATOM 727 C2' DG A 23 7.153 -6.433 5.459 1.00 0.00 C ATOM 728 C1' DG A 23 6.111 -5.552 6.118 1.00 0.00 C ATOM 729 N9 DG A 23 5.085 -5.110 5.152 1.00 0.00 N ATOM 730 C8 DG A 23 5.214 -4.750 3.851 1.00 0.00 C ATOM 731 N7 DG A 23 4.145 -4.394 3.219 1.00 0.00 N ATOM 732 C5 DG A 23 3.170 -4.527 4.212 1.00 0.00 C ATOM 733 C6 DG A 23 1.771 -4.285 4.151 1.00 0.00 C ATOM 734 O6 DG A 23 1.105 -3.898 3.194 1.00 0.00 O ATOM 735 N1 DG A 23 1.156 -4.544 5.370 1.00 0.00 N ATOM 736 C2 DG A 23 1.801 -4.981 6.509 1.00 0.00 C ATOM 737 N2 DG A 23 1.035 -5.174 7.584 1.00 0.00 N ATOM 738 N3 DG A 23 3.117 -5.211 6.575 1.00 0.00 N ATOM 739 C4 DG A 23 3.737 -4.966 5.398 1.00 0.00 C ATOM 0 H5' DG A 23 8.623 -3.050 5.713 1.00 0.00 H new ATOM 0 H5'' DG A 23 9.322 -3.009 7.319 1.00 0.00 H new ATOM 0 H4' DG A 23 8.382 -4.978 7.958 1.00 0.00 H new ATOM 0 H3' DG A 23 9.229 -5.927 5.339 1.00 0.00 H new ATOM 0 H2' DG A 23 7.183 -6.265 4.382 1.00 0.00 H new ATOM 0 H2'' DG A 23 6.926 -7.488 5.611 1.00 0.00 H new ATOM 0 H1' DG A 23 5.587 -6.116 6.890 1.00 0.00 H new ATOM 0 H8 DG A 23 6.176 -4.761 3.361 1.00 0.00 H new ATOM 0 H1 DG A 23 0.148 -4.400 5.427 1.00 0.00 H new ATOM 0 H21 DG A 23 1.453 -5.497 8.457 1.00 0.00 H new ATOM 0 H22 DG A 23 0.031 -4.999 7.533 1.00 0.00 H new ATOM 751 P DA A 24 9.605 -8.425 6.404 1.00 0.00 P ATOM 752 OP1 DA A 24 10.812 -8.706 7.213 1.00 0.00 O ATOM 753 OP2 DA A 24 9.714 -8.290 4.935 1.00 0.00 O ATOM 754 O5' DA A 24 8.508 -9.561 6.726 1.00 0.00 O ATOM 755 C5' DA A 24 7.442 -9.304 7.646 1.00 0.00 C ATOM 756 C4' DA A 24 6.111 -9.841 7.124 1.00 0.00 C ATOM 757 O4' DA A 24 5.469 -8.860 6.268 1.00 0.00 O ATOM 758 C3' DA A 24 6.316 -11.113 6.312 1.00 0.00 C ATOM 759 O3' DA A 24 5.862 -12.260 7.039 1.00 0.00 O ATOM 760 C2' DA A 24 5.517 -10.925 5.060 1.00 0.00 C ATOM 761 C1' DA A 24 4.841 -9.574 5.180 1.00 0.00 C ATOM 762 N9 DA A 24 4.971 -8.816 3.927 1.00 0.00 N ATOM 763 C8 DA A 24 6.046 -8.683 3.125 1.00 0.00 C ATOM 764 N7 DA A 24 5.919 -7.954 2.067 1.00 0.00 N ATOM 765 C5 DA A 24 4.585 -7.543 2.170 1.00 0.00 C ATOM 766 C6 DA A 24 3.776 -6.734 1.366 1.00 0.00 C ATOM 767 N6 DA A 24 4.206 -6.162 0.242 1.00 0.00 N ATOM 768 N1 DA A 24 2.507 -6.537 1.765 1.00 0.00 N ATOM 769 C2 DA A 24 2.055 -7.101 2.887 1.00 0.00 C ATOM 770 N3 DA A 24 2.733 -7.883 3.722 1.00 0.00 N ATOM 771 C4 DA A 24 4.001 -8.065 3.302 1.00 0.00 C ATOM 0 H5' DA A 24 7.360 -8.231 7.819 1.00 0.00 H new ATOM 0 H5'' DA A 24 7.670 -9.765 8.607 1.00 0.00 H new ATOM 0 H4' DA A 24 5.485 -10.054 7.991 1.00 0.00 H new ATOM 0 H3' DA A 24 7.370 -11.284 6.093 1.00 0.00 H new ATOM 0 H2' DA A 24 6.160 -10.960 4.181 1.00 0.00 H new ATOM 0 H2'' DA A 24 4.779 -11.719 4.948 1.00 0.00 H new ATOM 0 HO3' DA A 24 6.001 -13.066 6.499 1.00 0.00 H new ATOM 0 H1' DA A 24 3.777 -9.704 5.376 1.00 0.00 H new ATOM 0 H8 DA A 24 6.981 -9.169 3.359 1.00 0.00 H new ATOM 0 H61 DA A 24 3.574 -5.580 -0.308 1.00 0.00 H new ATOM 0 H62 DA A 24 5.167 -6.306 -0.068 1.00 0.00 H new ATOM 0 H2 DA A 24 1.026 -6.900 3.145 1.00 0.00 H new TER 784 DA A 24