USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 135 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 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.491 -8.431 3.264 1.00 51.23 O ATOM 2 C5' DG A 1 -4.624 -9.817 3.569 1.00 51.13 C ATOM 3 C4' DG A 1 -3.537 -10.609 2.880 1.00 35.42 C ATOM 4 O4' DG A 1 -3.858 -10.756 1.513 1.00 5.51 O ATOM 5 C3' DG A 1 -2.182 -9.910 2.833 1.00 64.32 C ATOM 6 O3' DG A 1 -1.146 -10.872 3.029 1.00 4.12 O ATOM 7 C2' DG A 1 -2.103 -9.284 1.469 1.00 14.23 C ATOM 8 C1' DG A 1 -2.841 -10.328 0.635 1.00 63.22 C ATOM 9 N9 DG A 1 -3.409 -9.787 -0.617 1.00 50.42 N ATOM 10 C8 DG A 1 -4.680 -9.899 -1.055 1.00 2.31 C ATOM 11 N7 DG A 1 -4.873 -9.300 -2.226 1.00 73.41 N ATOM 12 C5 DG A 1 -3.645 -8.780 -2.537 1.00 52.32 C ATOM 13 C6 DG A 1 -3.199 -8.033 -3.647 1.00 55.33 C ATOM 14 O6 DG A 1 -3.897 -7.693 -4.602 1.00 3.14 O ATOM 15 N1 DG A 1 -1.892 -7.655 -3.664 1.00 52.30 N ATOM 16 C2 DG A 1 -1.104 -8.013 -2.627 1.00 2.41 C ATOM 17 N2 DG A 1 0.141 -7.572 -2.790 1.00 54.24 N ATOM 18 N3 DG A 1 -1.419 -8.719 -1.524 1.00 73.02 N ATOM 19 C4 DG A 1 -2.737 -9.066 -1.568 1.00 22.02 C ATOM 0 H5' DG A 1 -5.603 -10.175 3.250 1.00 51.13 H new ATOM 0 H5'' DG A 1 -4.566 -9.967 4.647 1.00 51.13 H new ATOM 0 H4' DG A 1 -3.475 -11.535 3.452 1.00 35.42 H new ATOM 0 H3' DG A 1 -2.066 -9.156 3.612 1.00 64.32 H new ATOM 0 H2' DG A 1 -2.587 -8.308 1.433 1.00 14.23 H new ATOM 0 H2'' DG A 1 -1.074 -9.142 1.138 1.00 14.23 H new ATOM 0 HO5' DG A 1 -5.201 -7.927 3.714 1.00 51.23 H new ATOM 0 H1' DG A 1 -2.178 -11.123 0.293 1.00 63.22 H new ATOM 0 H8 DG A 1 -5.456 -10.419 -0.513 1.00 2.31 H new ATOM 0 H1 DG A 1 -1.516 -7.114 -4.442 1.00 52.30 H new ATOM 0 H21 DG A 1 0.849 -7.769 -2.082 1.00 54.24 H new ATOM 0 H22 DG A 1 0.388 -7.037 -3.623 1.00 54.24 H new ATOM 32 P DG A 2 0.230 -10.436 3.723 1.00 15.41 P ATOM 33 OP1 DG A 2 0.906 -11.629 4.280 1.00 31.20 O ATOM 34 OP2 DG A 2 -0.011 -9.297 4.634 1.00 53.53 O ATOM 35 O5' DG A 2 1.100 -9.906 2.489 1.00 45.41 O ATOM 36 C5' DG A 2 2.454 -10.330 2.338 1.00 55.34 C ATOM 37 C4' DG A 2 3.351 -9.133 2.122 1.00 32.33 C ATOM 38 O4' DG A 2 2.773 -8.229 1.253 1.00 64.33 O ATOM 39 C3' DG A 2 3.550 -8.263 3.361 1.00 33.05 C ATOM 40 O3' DG A 2 4.852 -7.679 3.326 1.00 12.20 O ATOM 41 C2' DG A 2 2.474 -7.216 3.287 1.00 22.25 C ATOM 42 C1' DG A 2 2.419 -6.970 1.782 1.00 42.24 C ATOM 43 N9 DG A 2 1.087 -6.544 1.302 1.00 10.24 N ATOM 44 C8 DG A 2 -0.110 -6.816 1.863 1.00 63.42 C ATOM 45 N7 DG A 2 -1.125 -6.287 1.184 1.00 61.23 N ATOM 46 C5 DG A 2 -0.521 -5.646 0.137 1.00 11.24 C ATOM 47 C6 DG A 2 -1.054 -4.897 -0.934 1.00 53.43 C ATOM 48 O6 DG A 2 -2.250 -4.676 -1.123 1.00 41.13 O ATOM 49 N1 DG A 2 -0.176 -4.377 -1.833 1.00 31.02 N ATOM 50 C2 DG A 2 1.145 -4.604 -1.651 1.00 14.20 C ATOM 51 N2 DG A 2 1.870 -4.033 -2.611 1.00 64.43 N ATOM 52 N3 DG A 2 1.759 -5.298 -0.676 1.00 73.01 N ATOM 53 C4 DG A 2 0.829 -5.790 0.187 1.00 44.15 C ATOM 0 H5' DG A 2 2.537 -11.014 1.493 1.00 55.34 H new ATOM 0 H5'' DG A 2 2.773 -10.878 3.225 1.00 55.34 H new ATOM 0 H4' DG A 2 4.280 -9.589 1.780 1.00 32.33 H new ATOM 0 H3' DG A 2 3.481 -8.826 4.292 1.00 33.05 H new ATOM 0 H2' DG A 2 1.523 -7.572 3.683 1.00 22.25 H new ATOM 0 H2'' DG A 2 2.734 -6.316 3.844 1.00 22.25 H new ATOM 0 H1' DG A 2 3.074 -6.154 1.476 1.00 42.24 H new ATOM 0 H8 DG A 2 -0.231 -7.399 2.764 1.00 63.42 H new ATOM 0 H1 DG A 2 -0.506 -3.828 -2.627 1.00 31.02 H new ATOM 0 H21 DG A 2 2.886 -4.121 -2.603 1.00 64.43 H new ATOM 0 H22 DG A 2 1.409 -3.508 -3.354 1.00 64.43 H new ATOM 65 P DC A 3 5.759 -7.673 4.643 1.00 41.32 P ATOM 66 OP1 DC A 3 6.973 -8.489 4.416 1.00 22.14 O ATOM 67 OP2 DC A 3 4.928 -8.001 5.825 1.00 11.14 O ATOM 68 O5' DC A 3 6.207 -6.142 4.764 1.00 0.31 O ATOM 69 C5' DC A 3 6.558 -5.408 3.593 1.00 11.32 C ATOM 70 C4' DC A 3 5.817 -4.090 3.564 1.00 21.23 C ATOM 71 O4' DC A 3 4.571 -4.151 2.947 1.00 72.34 O ATOM 72 C3' DC A 3 5.244 -3.659 4.913 1.00 33.24 C ATOM 73 O3' DC A 3 6.296 -3.158 5.734 1.00 73.32 O ATOM 74 C2' DC A 3 4.237 -2.591 4.591 1.00 72.14 C ATOM 75 C1' DC A 3 3.963 -2.891 3.120 1.00 71.25 C ATOM 76 N1 DC A 3 2.524 -2.940 2.787 1.00 23.22 N ATOM 77 C2 DC A 3 2.095 -2.237 1.663 1.00 12.24 C ATOM 78 O2 DC A 3 2.931 -1.609 1.001 1.00 40.43 O ATOM 79 N3 DC A 3 0.790 -2.267 1.339 1.00 14.52 N ATOM 80 C4 DC A 3 -0.087 -2.942 2.054 1.00 73.42 C ATOM 81 N4 DC A 3 -1.372 -2.959 1.718 1.00 64.15 N ATOM 82 C5 DC A 3 0.332 -3.678 3.223 1.00 41.54 C ATOM 83 C6 DC A 3 1.635 -3.638 3.533 1.00 43.24 C ATOM 0 H5' DC A 3 6.316 -5.990 2.704 1.00 11.32 H new ATOM 0 H5'' DC A 3 7.633 -5.230 3.575 1.00 11.32 H new ATOM 0 H4' DC A 3 6.587 -3.465 3.111 1.00 21.23 H new ATOM 0 H3' DC A 3 4.779 -4.478 5.461 1.00 33.24 H new ATOM 0 H2' DC A 3 3.339 -2.672 5.203 1.00 72.14 H new ATOM 0 H2'' DC A 3 4.636 -1.588 4.741 1.00 72.14 H new ATOM 0 H1' DC A 3 4.350 -2.112 2.463 1.00 71.25 H new ATOM 0 H41 DC A 3 -2.039 -3.486 2.281 1.00 64.15 H new ATOM 0 H42 DC A 3 -1.691 -2.445 0.897 1.00 64.15 H new ATOM 0 H5 DC A 3 -0.373 -4.236 3.821 1.00 41.54 H new ATOM 0 H6 DC A 3 1.986 -4.177 4.401 1.00 43.24 H new ATOM 95 P DC A 4 6.013 -2.817 7.272 1.00 44.02 P ATOM 96 OP1 DC A 4 6.638 -3.848 8.133 1.00 50.05 O ATOM 97 OP2 DC A 4 4.572 -2.547 7.467 1.00 70.13 O ATOM 98 O5' DC A 4 6.808 -1.446 7.489 1.00 23.13 O ATOM 99 C5' DC A 4 8.004 -1.191 6.754 1.00 40.50 C ATOM 100 C4' DC A 4 7.761 -0.109 5.726 1.00 20.25 C ATOM 101 O4' DC A 4 6.439 -0.215 5.233 1.00 64.34 O ATOM 102 C3' DC A 4 7.790 1.310 6.286 1.00 0.45 C ATOM 103 O3' DC A 4 8.384 2.185 5.330 1.00 64.42 O ATOM 104 C2' DC A 4 6.350 1.665 6.540 1.00 30.45 C ATOM 105 C1' DC A 4 5.673 0.962 5.367 1.00 14.14 C ATOM 106 N1 DC A 4 4.250 0.648 5.609 1.00 23.32 N ATOM 107 C2 DC A 4 3.354 0.855 4.562 1.00 41.30 C ATOM 108 O2 DC A 4 3.786 1.286 3.487 1.00 41.42 O ATOM 109 N3 DC A 4 2.052 0.575 4.759 1.00 32.32 N ATOM 110 C4 DC A 4 1.608 0.114 5.911 1.00 73.53 C ATOM 111 N4 DC A 4 0.320 -0.154 6.086 1.00 32.11 N ATOM 112 C5 DC A 4 2.515 -0.107 7.012 1.00 2.22 C ATOM 113 C6 DC A 4 3.811 0.175 6.800 1.00 55.24 C ATOM 0 H5' DC A 4 8.339 -2.104 6.261 1.00 40.50 H new ATOM 0 H5'' DC A 4 8.800 -0.886 7.434 1.00 40.50 H new ATOM 0 H4' DC A 4 8.554 -0.256 4.992 1.00 20.25 H new ATOM 0 H3' DC A 4 8.378 1.394 7.200 1.00 0.45 H new ATOM 0 H2' DC A 4 5.997 1.296 7.503 1.00 30.45 H new ATOM 0 H2'' DC A 4 6.182 2.742 6.530 1.00 30.45 H new ATOM 0 H1' DC A 4 5.648 1.587 4.474 1.00 14.14 H new ATOM 0 H41 DC A 4 -0.009 -0.510 6.983 1.00 32.11 H new ATOM 0 H42 DC A 4 -0.340 -0.004 5.323 1.00 32.11 H new ATOM 0 H5 DC A 4 2.167 -0.482 7.963 1.00 2.22 H new ATOM 0 H6 DC A 4 4.521 0.021 7.599 1.00 55.24 H new ATOM 125 P DG A 5 9.798 2.865 5.640 1.00 61.34 P ATOM 126 OP1 DG A 5 10.882 2.067 5.028 1.00 31.04 O ATOM 127 OP2 DG A 5 9.902 3.162 7.088 1.00 35.12 O ATOM 128 O5' DG A 5 9.706 4.257 4.855 1.00 64.13 O ATOM 129 C5' DG A 5 9.100 4.311 3.567 1.00 41.35 C ATOM 130 C4' DG A 5 7.777 5.040 3.645 1.00 30.43 C ATOM 131 O4' DG A 5 7.076 4.524 4.684 1.00 20.41 O ATOM 132 C3' DG A 5 7.880 6.479 4.144 1.00 0.01 C ATOM 133 O3' DG A 5 8.080 7.354 3.035 1.00 41.53 O ATOM 134 C2' DG A 5 6.572 6.753 4.834 1.00 43.11 C ATOM 135 C1' DG A 5 5.951 5.359 4.831 1.00 74.31 C ATOM 136 N9 DG A 5 5.208 5.042 6.067 1.00 73.15 N ATOM 137 C8 DG A 5 5.655 5.130 7.338 1.00 22.14 C ATOM 138 N7 DG A 5 4.739 4.770 8.232 1.00 31.33 N ATOM 139 C5 DG A 5 3.651 4.438 7.470 1.00 22.41 C ATOM 140 C6 DG A 5 2.365 3.981 7.826 1.00 4.24 C ATOM 141 O6 DG A 5 1.971 3.788 8.976 1.00 21.21 O ATOM 142 N1 DG A 5 1.487 3.733 6.818 1.00 1.40 N ATOM 143 C2 DG A 5 1.891 3.936 5.544 1.00 73.42 C ATOM 144 N2 DG A 5 0.923 3.651 4.676 1.00 24.52 N ATOM 145 N3 DG A 5 3.084 4.367 5.091 1.00 61.50 N ATOM 146 C4 DG A 5 3.915 4.597 6.146 1.00 51.21 C ATOM 0 H5' DG A 5 8.946 3.301 3.187 1.00 41.35 H new ATOM 0 H5'' DG A 5 9.763 4.818 2.866 1.00 41.35 H new ATOM 0 H4' DG A 5 7.366 4.963 2.638 1.00 30.43 H new ATOM 0 H3' DG A 5 8.718 6.634 4.823 1.00 0.01 H new ATOM 0 H2' DG A 5 6.710 7.142 5.843 1.00 43.11 H new ATOM 0 H2'' DG A 5 5.963 7.478 4.294 1.00 43.11 H new ATOM 0 H1' DG A 5 5.202 5.246 4.047 1.00 74.31 H new ATOM 0 H8 DG A 5 6.650 5.458 7.600 1.00 22.14 H new ATOM 0 H1 DG A 5 0.544 3.401 7.019 1.00 1.40 H new ATOM 0 H21 DG A 5 1.088 3.758 3.675 1.00 24.52 H new ATOM 0 H22 DG A 5 0.017 3.325 5.012 1.00 24.52 H new ATOM 158 P DC A 6 8.028 8.938 3.247 1.00 24.11 P ATOM 159 OP1 DC A 6 9.026 9.591 2.371 1.00 63.02 O ATOM 160 OP2 DC A 6 8.079 9.250 4.692 1.00 64.22 O ATOM 161 O5' DC A 6 6.572 9.325 2.709 1.00 2.33 O ATOM 162 C5' DC A 6 5.868 8.431 1.848 1.00 13.23 C ATOM 163 C4' DC A 6 4.457 8.925 1.629 1.00 11.52 C ATOM 164 O4' DC A 6 3.422 8.385 2.451 1.00 13.02 O ATOM 165 C3' DC A 6 4.269 10.422 1.858 1.00 64.40 C ATOM 166 O3' DC A 6 3.437 10.956 0.830 1.00 2.03 O ATOM 167 C2' DC A 6 3.620 10.537 3.210 1.00 73.42 C ATOM 168 C1' DC A 6 2.679 9.338 3.177 1.00 10.53 C ATOM 169 N1 DC A 6 2.327 8.828 4.520 1.00 20.44 N ATOM 170 C2 DC A 6 1.080 9.173 5.037 1.00 41.22 C ATOM 171 O2 DC A 6 0.331 9.883 4.355 1.00 1.44 O ATOM 172 N3 DC A 6 0.737 8.722 6.257 1.00 43.10 N ATOM 173 C4 DC A 6 1.548 7.966 6.972 1.00 32.42 C ATOM 174 N4 DC A 6 1.191 7.532 8.173 1.00 4.34 N ATOM 175 C5 DC A 6 2.846 7.594 6.458 1.00 3.24 C ATOM 176 C6 DC A 6 3.173 8.052 5.241 1.00 34.34 C ATOM 0 H5' DC A 6 5.848 7.433 2.285 1.00 13.23 H new ATOM 0 H5'' DC A 6 6.386 8.351 0.892 1.00 13.23 H new ATOM 0 H4' DC A 6 4.355 8.597 0.594 1.00 11.52 H new ATOM 0 H3' DC A 6 5.206 10.979 1.829 1.00 64.40 H new ATOM 0 H2' DC A 6 4.343 10.472 4.023 1.00 73.42 H new ATOM 0 H2'' DC A 6 3.085 11.479 3.333 1.00 73.42 H new ATOM 0 H1' DC A 6 1.714 9.587 2.736 1.00 10.53 H new ATOM 0 H41 DC A 6 1.828 6.948 8.715 1.00 4.34 H new ATOM 0 H42 DC A 6 0.279 7.782 8.555 1.00 4.34 H new ATOM 0 H5 DC A 6 3.522 6.975 7.028 1.00 3.24 H new ATOM 0 H6 DC A 6 4.136 7.796 4.824 1.00 34.34 H new ATOM 188 P DA A 7 4.005 11.115 -0.657 1.00 61.31 P ATOM 189 OP1 DA A 7 5.364 10.534 -0.735 1.00 34.41 O ATOM 190 OP2 DA A 7 3.831 12.512 -1.112 1.00 63.15 O ATOM 191 O5' DA A 7 3.024 10.191 -1.518 1.00 55.31 O ATOM 192 C5' DA A 7 1.690 10.620 -1.784 1.00 22.20 C ATOM 193 C4' DA A 7 0.731 9.459 -1.648 1.00 45.12 C ATOM 194 O4' DA A 7 1.271 8.217 -1.192 1.00 70.33 O ATOM 195 C3' DA A 7 -0.435 9.712 -0.695 1.00 23.41 C ATOM 196 O3' DA A 7 -1.663 9.431 -1.362 1.00 34.24 O ATOM 197 C2' DA A 7 -0.209 8.781 0.464 1.00 11.22 C ATOM 198 C1' DA A 7 0.429 7.592 -0.250 1.00 64.04 C ATOM 199 N9 DA A 7 1.200 6.711 0.653 1.00 22.15 N ATOM 200 C8 DA A 7 0.985 6.495 1.968 1.00 24.00 C ATOM 201 N7 DA A 7 1.858 5.642 2.495 1.00 4.51 N ATOM 202 C5 DA A 7 2.665 5.302 1.444 1.00 23.03 C ATOM 203 C6 DA A 7 3.776 4.436 1.359 1.00 12.32 C ATOM 204 N6 DA A 7 4.279 3.726 2.401 1.00 74.44 N ATOM 205 N1 DA A 7 4.379 4.309 0.145 1.00 52.11 N ATOM 206 C2 DA A 7 3.884 5.012 -0.899 1.00 71.31 C ATOM 207 N3 DA A 7 2.839 5.859 -0.931 1.00 25.32 N ATOM 208 C4 DA A 7 2.282 5.943 0.309 1.00 52.44 C ATOM 0 H5' DA A 7 1.628 11.037 -2.789 1.00 22.20 H new ATOM 0 H5'' DA A 7 1.411 11.415 -1.092 1.00 22.20 H new ATOM 0 H4' DA A 7 0.427 9.380 -2.692 1.00 45.12 H new ATOM 0 H3' DA A 7 -0.490 10.747 -0.357 1.00 23.41 H new ATOM 0 H2' DA A 7 0.449 9.212 1.219 1.00 11.22 H new ATOM 0 H2'' DA A 7 -1.138 8.512 0.966 1.00 11.22 H new ATOM 0 H1' DA A 7 -0.316 6.926 -0.686 1.00 64.04 H new ATOM 0 H8 DA A 7 0.191 6.964 2.530 1.00 24.00 H new ATOM 0 H61 DA A 7 5.087 3.119 2.262 1.00 74.44 H new ATOM 0 H62 DA A 7 3.849 3.800 3.323 1.00 74.44 H new ATOM 0 H2 DA A 7 4.399 4.874 -1.838 1.00 71.31 H new ATOM 220 P DG A 8 -3.052 9.863 -0.699 1.00 21.30 P ATOM 221 OP1 DG A 8 -3.662 10.959 -1.484 1.00 62.34 O ATOM 222 OP2 DG A 8 -2.863 10.087 0.752 1.00 70.22 O ATOM 223 O5' DG A 8 -3.960 8.560 -0.882 1.00 41.51 O ATOM 224 C5' DG A 8 -3.554 7.321 -0.304 1.00 14.04 C ATOM 225 C4' DG A 8 -3.185 6.338 -1.392 1.00 25.13 C ATOM 226 O4' DG A 8 -2.139 5.661 -0.893 1.00 41.55 O ATOM 227 C3' DG A 8 -4.186 5.204 -1.585 1.00 2.45 C ATOM 228 O3' DG A 8 -5.050 5.513 -2.676 1.00 61.20 O ATOM 229 C2' DG A 8 -3.354 3.983 -1.870 1.00 3.32 C ATOM 230 C1' DG A 8 -2.140 4.254 -0.987 1.00 23.43 C ATOM 231 N9 DG A 8 -2.230 3.628 0.349 1.00 74.13 N ATOM 232 C8 DG A 8 -3.305 3.596 1.166 1.00 64.50 C ATOM 233 N7 DG A 8 -3.063 2.954 2.304 1.00 5.21 N ATOM 234 C5 DG A 8 -1.756 2.560 2.189 1.00 73.11 C ATOM 235 C6 DG A 8 -0.915 1.840 3.064 1.00 35.51 C ATOM 236 O6 DG A 8 -1.238 1.408 4.169 1.00 14.22 O ATOM 237 N1 DG A 8 0.360 1.601 2.653 1.00 34.44 N ATOM 238 C2 DG A 8 0.744 2.064 1.441 1.00 43.10 C ATOM 239 N2 DG A 8 2.013 1.752 1.184 1.00 61.12 N ATOM 240 N3 DG A 8 0.032 2.757 0.532 1.00 21.13 N ATOM 241 C4 DG A 8 -1.228 2.961 1.004 1.00 12.34 C ATOM 0 H5' DG A 8 -4.360 6.914 0.307 1.00 14.04 H new ATOM 0 H5'' DG A 8 -2.702 7.481 0.357 1.00 14.04 H new ATOM 0 H4' DG A 8 -3.069 6.909 -2.313 1.00 25.13 H new ATOM 0 H3' DG A 8 -4.821 5.047 -0.713 1.00 2.45 H new ATOM 0 H2' DG A 8 -3.866 3.060 -1.597 1.00 3.32 H new ATOM 0 H2'' DG A 8 -3.089 3.900 -2.924 1.00 3.32 H new ATOM 0 H1' DG A 8 -1.227 3.831 -1.405 1.00 23.43 H new ATOM 0 H8 DG A 8 -4.257 4.043 0.921 1.00 64.50 H new ATOM 0 H1 DG A 8 1.011 1.085 3.245 1.00 34.44 H new ATOM 0 H21 DG A 8 2.440 2.038 0.303 1.00 61.12 H new ATOM 0 H22 DG A 8 2.558 1.227 1.868 1.00 61.12 H new ATOM 253 P DT A 9 -6.566 5.944 -2.398 1.00 53.05 P ATOM 254 OP1 DT A 9 -6.978 6.978 -3.374 1.00 1.42 O ATOM 255 OP2 DT A 9 -6.742 6.252 -0.961 1.00 24.52 O ATOM 256 O5' DT A 9 -7.385 4.606 -2.719 1.00 63.42 O ATOM 257 C5' DT A 9 -6.993 3.371 -2.125 1.00 50.44 C ATOM 258 C4' DT A 9 -6.002 2.656 -3.014 1.00 23.33 C ATOM 259 O4' DT A 9 -5.389 1.546 -2.388 1.00 71.22 O ATOM 260 C3' DT A 9 -6.634 1.880 -4.165 1.00 42.30 C ATOM 261 O3' DT A 9 -5.656 1.654 -5.179 1.00 74.41 O ATOM 262 C2' DT A 9 -7.109 0.588 -3.560 1.00 4.40 C ATOM 263 C1' DT A 9 -5.951 0.274 -2.616 1.00 14.14 C ATOM 264 N1 DT A 9 -6.379 -0.356 -1.350 1.00 3.40 N ATOM 265 C2 DT A 9 -5.670 -1.447 -0.950 1.00 22.34 C ATOM 266 O2 DT A 9 -4.728 -1.909 -1.574 1.00 21.12 O ATOM 267 N3 DT A 9 -6.066 -2.036 0.230 1.00 64.52 N ATOM 268 C4 DT A 9 -7.111 -1.580 0.992 1.00 52.31 C ATOM 269 O4 DT A 9 -7.377 -2.186 2.029 1.00 45.24 O ATOM 270 C5 DT A 9 -7.817 -0.439 0.530 1.00 11.30 C ATOM 271 C7 DT A 9 -8.979 0.106 1.327 1.00 1.11 C ATOM 272 C6 DT A 9 -7.417 0.116 -0.617 1.00 72.34 C ATOM 0 H5' DT A 9 -7.869 2.742 -1.965 1.00 50.44 H new ATOM 0 H5'' DT A 9 -6.549 3.554 -1.147 1.00 50.44 H new ATOM 0 H4' DT A 9 -5.356 3.488 -3.294 1.00 23.33 H new ATOM 0 H3' DT A 9 -7.459 2.416 -4.635 1.00 42.30 H new ATOM 0 H2' DT A 9 -8.055 0.702 -3.031 1.00 4.40 H new ATOM 0 H2'' DT A 9 -7.255 -0.190 -4.309 1.00 4.40 H new ATOM 0 H1' DT A 9 -5.259 -0.452 -3.042 1.00 14.14 H new ATOM 0 H3 DT A 9 -5.554 -2.856 0.555 1.00 64.52 H new ATOM 0 H71 DT A 9 -9.053 1.183 1.173 1.00 1.11 H new ATOM 0 H72 DT A 9 -9.902 -0.372 0.998 1.00 1.11 H new ATOM 0 H73 DT A 9 -8.822 -0.099 2.386 1.00 1.11 H new ATOM 0 H6 DT A 9 -7.947 0.985 -0.979 1.00 72.34 H new ATOM 285 P DG A 10 -5.194 2.857 -6.127 1.00 43.32 P ATOM 286 OP1 DG A 10 -6.112 4.005 -5.958 1.00 55.11 O ATOM 287 OP2 DG A 10 -4.976 2.352 -7.501 1.00 75.11 O ATOM 288 O5' DG A 10 -3.772 3.268 -5.520 1.00 51.21 O ATOM 289 C5' DG A 10 -2.969 4.244 -6.182 1.00 14.12 C ATOM 290 C4' DG A 10 -1.664 3.626 -6.628 1.00 14.25 C ATOM 291 O4' DG A 10 -1.001 3.371 -5.444 1.00 33.11 O ATOM 292 C3' DG A 10 -1.787 2.192 -7.138 1.00 14.02 C ATOM 293 O3' DG A 10 -1.884 2.201 -8.561 1.00 73.20 O ATOM 294 C2' DG A 10 -0.539 1.496 -6.674 1.00 4.22 C ATOM 295 C1' DG A 10 -0.356 2.126 -5.296 1.00 53.13 C ATOM 296 N9 DG A 10 -0.962 1.336 -4.203 1.00 32.23 N ATOM 297 C8 DG A 10 -2.256 0.980 -4.070 1.00 40.34 C ATOM 298 N7 DG A 10 -2.481 0.268 -2.969 1.00 32.34 N ATOM 299 C5 DG A 10 -1.249 0.175 -2.381 1.00 0.04 C ATOM 300 C6 DG A 10 -0.826 -0.454 -1.191 1.00 13.13 C ATOM 301 O6 DG A 10 -1.553 -1.076 -0.418 1.00 71.02 O ATOM 302 N1 DG A 10 0.492 -0.367 -0.871 1.00 61.23 N ATOM 303 C2 DG A 10 1.315 0.310 -1.702 1.00 70.30 C ATOM 304 N2 DG A 10 2.568 0.306 -1.253 1.00 22.34 N ATOM 305 N3 DG A 10 1.024 0.944 -2.854 1.00 70.04 N ATOM 306 C4 DG A 10 -0.307 0.820 -3.117 1.00 63.40 C ATOM 0 H5' DG A 10 -2.774 5.081 -5.512 1.00 14.12 H new ATOM 0 H5'' DG A 10 -3.504 4.643 -7.043 1.00 14.12 H new ATOM 0 H4' DG A 10 -1.236 4.285 -7.383 1.00 14.25 H new ATOM 0 H3' DG A 10 -2.676 1.684 -6.764 1.00 14.02 H new ATOM 0 H2' DG A 10 -0.664 0.415 -6.621 1.00 4.22 H new ATOM 0 H2'' DG A 10 0.309 1.686 -7.331 1.00 4.22 H new ATOM 0 H1' DG A 10 0.694 2.194 -5.010 1.00 53.13 H new ATOM 0 H8 DG A 10 -3.026 1.244 -4.780 1.00 40.34 H new ATOM 0 H1 DG A 10 0.852 -0.803 -0.022 1.00 61.23 H new ATOM 0 H21 DG A 10 3.300 0.781 -1.781 1.00 22.34 H new ATOM 0 H22 DG A 10 2.796 -0.172 -0.381 1.00 22.34 H new ATOM 318 P DC A 11 -2.607 0.993 -9.322 1.00 23.51 P ATOM 319 OP1 DC A 11 -3.074 1.449 -10.649 1.00 43.42 O ATOM 320 OP2 DC A 11 -3.601 0.362 -8.425 1.00 25.34 O ATOM 321 O5' DC A 11 -1.416 -0.051 -9.550 1.00 3.33 O ATOM 322 C5' DC A 11 -0.097 0.419 -9.825 1.00 34.24 C ATOM 323 C4' DC A 11 0.924 -0.581 -9.336 1.00 45.03 C ATOM 324 O4' DC A 11 0.648 -0.826 -7.968 1.00 24.32 O ATOM 325 C3' DC A 11 0.797 -1.969 -9.958 1.00 33.04 C ATOM 326 O3' DC A 11 2.097 -2.528 -10.137 1.00 14.25 O ATOM 327 C2' DC A 11 -0.018 -2.769 -8.981 1.00 12.24 C ATOM 328 C1' DC A 11 0.475 -2.190 -7.658 1.00 14.24 C ATOM 329 N1 DC A 11 -0.482 -2.366 -6.545 1.00 12.44 N ATOM 330 C2 DC A 11 -0.022 -2.993 -5.388 1.00 70.31 C ATOM 331 O2 DC A 11 1.155 -3.368 -5.348 1.00 44.25 O ATOM 332 N3 DC A 11 -0.874 -3.166 -4.361 1.00 52.11 N ATOM 333 C4 DC A 11 -2.126 -2.758 -4.422 1.00 11.53 C ATOM 334 N4 DC A 11 -2.951 -2.937 -3.398 1.00 0.03 N ATOM 335 C5 DC A 11 -2.628 -2.107 -5.610 1.00 62.44 C ATOM 336 C6 DC A 11 -1.766 -1.942 -6.625 1.00 73.15 C ATOM 0 H5' DC A 11 0.063 1.381 -9.338 1.00 34.24 H new ATOM 0 H5'' DC A 11 0.024 0.579 -10.896 1.00 34.24 H new ATOM 0 H4' DC A 11 1.897 -0.152 -9.575 1.00 45.03 H new ATOM 0 H3' DC A 11 0.321 -1.953 -10.939 1.00 33.04 H new ATOM 0 H2' DC A 11 -1.089 -2.626 -9.121 1.00 12.24 H new ATOM 0 H2'' DC A 11 0.174 -3.839 -9.061 1.00 12.24 H new ATOM 0 H1' DC A 11 1.377 -2.689 -7.303 1.00 14.24 H new ATOM 0 H41 DC A 11 -3.917 -2.616 -3.459 1.00 0.03 H new ATOM 0 H42 DC A 11 -2.619 -3.396 -2.550 1.00 0.03 H new ATOM 0 H5 DC A 11 -3.651 -1.768 -5.678 1.00 62.44 H new ATOM 0 H6 DC A 11 -2.105 -1.459 -7.529 1.00 73.15 H new ATOM 348 P DC A 12 2.350 -3.606 -11.294 1.00 44.50 P ATOM 349 OP1 DC A 12 3.253 -3.036 -12.317 1.00 21.10 O ATOM 350 OP2 DC A 12 1.056 -4.157 -11.754 1.00 21.11 O ATOM 351 O5' DC A 12 3.140 -4.771 -10.530 1.00 75.11 O ATOM 352 C5' DC A 12 4.291 -4.458 -9.751 1.00 43.35 C ATOM 353 C4' DC A 12 4.435 -5.450 -8.617 1.00 31.40 C ATOM 354 O4' DC A 12 3.260 -5.447 -7.836 1.00 15.20 O ATOM 355 C3' DC A 12 4.545 -6.905 -9.062 1.00 61.32 C ATOM 356 O3' DC A 12 5.497 -7.585 -8.231 1.00 42.10 O ATOM 357 C2' DC A 12 3.163 -7.474 -8.900 1.00 3.11 C ATOM 358 C1' DC A 12 2.691 -6.726 -7.657 1.00 75.42 C ATOM 359 N1 DC A 12 1.220 -6.643 -7.541 1.00 12.12 N ATOM 360 C2 DC A 12 0.655 -6.867 -6.286 1.00 41.43 C ATOM 361 O2 DC A 12 1.405 -7.122 -5.338 1.00 52.12 O ATOM 362 N3 DC A 12 -0.683 -6.799 -6.156 1.00 31.32 N ATOM 363 C4 DC A 12 -1.468 -6.526 -7.179 1.00 32.55 C ATOM 364 N4 DC A 12 -2.784 -6.461 -7.032 1.00 44.24 N ATOM 365 C5 DC A 12 -0.906 -6.289 -8.490 1.00 5.14 C ATOM 366 C6 DC A 12 0.428 -6.362 -8.604 1.00 33.53 C ATOM 0 H5' DC A 12 4.206 -3.447 -9.352 1.00 43.35 H new ATOM 0 H5'' DC A 12 5.182 -4.479 -10.379 1.00 43.35 H new ATOM 0 H4' DC A 12 5.342 -5.136 -8.100 1.00 31.40 H new ATOM 0 H3' DC A 12 4.890 -7.012 -10.091 1.00 61.32 H new ATOM 0 H2' DC A 12 2.531 -7.277 -9.766 1.00 3.11 H new ATOM 0 H2'' DC A 12 3.175 -8.554 -8.753 1.00 3.11 H new ATOM 0 HO3' DC A 12 5.568 -8.521 -8.514 1.00 42.10 H new ATOM 0 H1' DC A 12 2.992 -7.229 -6.738 1.00 75.42 H new ATOM 0 H41 DC A 12 -3.377 -6.249 -7.834 1.00 44.24 H new ATOM 0 H42 DC A 12 -3.204 -6.623 -6.117 1.00 44.24 H new ATOM 0 H5 DC A 12 -1.533 -6.063 -9.340 1.00 5.14 H new ATOM 0 H6 DC A 12 0.883 -6.192 -9.569 1.00 33.53 H new TER 379 DC A 12