USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 185 hydrogens (13 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 NoAdj-H: A 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc=-0.00483 (180deg=-0.0026) USER MOD Set 1.2: A 5 DT C7 :methyl 150:sc=-0.00492 (180deg=-9.16e-05) USER MOD Single : A 1 DC O5' : rot 180:sc= -1.24 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= -0.0803 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.0231) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.032 -3.050 8.938 1.00 0.00 O ATOM 2 C5' DC A 1 11.181 -3.843 10.120 1.00 0.00 C ATOM 3 C4' DC A 1 9.838 -4.292 10.649 1.00 0.00 C ATOM 4 O4' DC A 1 9.087 -3.126 11.064 1.00 0.00 O ATOM 5 C3' DC A 1 8.952 -5.014 9.634 1.00 0.00 C ATOM 6 O3' DC A 1 8.133 -5.991 10.287 1.00 0.00 O ATOM 7 C2' DC A 1 8.100 -3.896 9.064 1.00 0.00 C ATOM 8 C1' DC A 1 7.941 -2.952 10.244 1.00 0.00 C ATOM 9 N1 DC A 1 7.862 -1.530 9.872 1.00 0.00 N ATOM 10 C2 DC A 1 6.687 -0.824 10.146 1.00 0.00 C ATOM 11 O2 DC A 1 5.747 -1.414 10.696 1.00 0.00 O ATOM 12 N3 DC A 1 6.607 0.483 9.807 1.00 0.00 N ATOM 13 C4 DC A 1 7.642 1.084 9.217 1.00 0.00 C ATOM 14 N4 DC A 1 7.519 2.373 8.901 1.00 0.00 N ATOM 15 C5 DC A 1 8.851 0.388 8.925 1.00 0.00 C ATOM 16 C6 DC A 1 8.917 -0.905 9.267 1.00 0.00 C ATOM 0 H5' DC A 1 11.702 -3.267 10.885 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.799 -4.714 9.901 1.00 0.00 H new ATOM 0 H4' DC A 1 10.070 -4.989 11.454 1.00 0.00 H new ATOM 0 H3' DC A 1 9.518 -5.553 8.874 1.00 0.00 H new ATOM 0 H2' DC A 1 8.587 -3.408 8.220 1.00 0.00 H new ATOM 0 H2'' DC A 1 7.137 -4.263 8.708 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.915 -2.771 8.618 1.00 0.00 H new ATOM 0 H1' DC A 1 7.001 -3.195 10.739 1.00 0.00 H new ATOM 0 H41 DC A 1 8.291 2.863 8.449 1.00 0.00 H new ATOM 0 H42 DC A 1 6.653 2.869 9.111 1.00 0.00 H new ATOM 0 H5 DC A 1 9.682 0.884 8.446 1.00 0.00 H new ATOM 0 H6 DC A 1 9.818 -1.463 9.062 1.00 0.00 H new ATOM 29 P DA A 2 7.128 -6.900 9.420 1.00 0.00 P ATOM 30 OP1 DA A 2 6.790 -8.090 10.242 1.00 0.00 O ATOM 31 OP2 DA A 2 7.712 -7.088 8.066 1.00 0.00 O ATOM 32 O5' DA A 2 5.816 -6.005 9.279 1.00 0.00 O ATOM 33 C5' DA A 2 4.981 -5.742 10.410 1.00 0.00 C ATOM 34 C4' DA A 2 3.629 -5.237 9.962 1.00 0.00 C ATOM 35 O4' DA A 2 3.744 -3.833 9.632 1.00 0.00 O ATOM 36 C3' DA A 2 3.040 -5.928 8.726 1.00 0.00 C ATOM 37 O3' DA A 2 1.735 -6.437 9.054 1.00 0.00 O ATOM 38 C2' DA A 2 3.001 -4.835 7.669 1.00 0.00 C ATOM 39 C1' DA A 2 2.979 -3.561 8.477 1.00 0.00 C ATOM 40 N9 DA A 2 3.577 -2.413 7.801 1.00 0.00 N ATOM 41 C8 DA A 2 4.640 -2.435 6.940 1.00 0.00 C ATOM 42 N7 DA A 2 4.992 -1.250 6.503 1.00 0.00 N ATOM 43 C5 DA A 2 4.084 -0.391 7.108 1.00 0.00 C ATOM 44 C6 DA A 2 3.917 1.002 7.051 1.00 0.00 C ATOM 45 N6 DA A 2 4.700 1.814 6.338 1.00 0.00 N ATOM 46 N1 DA A 2 2.907 1.542 7.766 1.00 0.00 N ATOM 47 C2 DA A 2 2.127 0.728 8.491 1.00 0.00 C ATOM 48 N3 DA A 2 2.191 -0.592 8.632 1.00 0.00 N ATOM 49 C4 DA A 2 3.203 -1.096 7.906 1.00 0.00 C ATOM 0 H5' DA A 2 5.456 -5.004 11.056 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.860 -6.651 10.999 1.00 0.00 H new ATOM 0 H4' DA A 2 2.961 -5.447 10.797 1.00 0.00 H new ATOM 0 H3' DA A 2 3.615 -6.783 8.371 1.00 0.00 H new ATOM 0 H2' DA A 2 3.871 -4.879 7.014 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.119 -4.922 7.034 1.00 0.00 H new ATOM 0 H1' DA A 2 1.941 -3.291 8.671 1.00 0.00 H new ATOM 0 H8 DA A 2 5.143 -3.345 6.647 1.00 0.00 H new ATOM 0 H61 DA A 2 4.527 2.819 6.338 1.00 0.00 H new ATOM 0 H62 DA A 2 5.472 1.429 5.793 1.00 0.00 H new ATOM 0 H2 DA A 2 1.333 1.214 9.039 1.00 0.00 H new ATOM 61 P DG A 3 0.597 -6.565 7.919 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.385 -7.563 8.417 1.00 0.00 O ATOM 63 OP2 DG A 3 1.235 -6.769 6.592 1.00 0.00 O ATOM 64 O5' DG A 3 -0.116 -5.139 7.937 1.00 0.00 O ATOM 65 C5' DG A 3 -0.583 -4.569 9.164 1.00 0.00 C ATOM 66 C4' DG A 3 -1.715 -3.604 8.902 1.00 0.00 C ATOM 67 O4' DG A 3 -1.165 -2.342 8.452 1.00 0.00 O ATOM 68 C3' DG A 3 -2.710 -4.047 7.828 1.00 0.00 C ATOM 69 O3' DG A 3 -4.047 -3.705 8.210 1.00 0.00 O ATOM 70 C2' DG A 3 -2.282 -3.270 6.598 1.00 0.00 C ATOM 71 C1' DG A 3 -1.613 -2.026 7.143 1.00 0.00 C ATOM 72 N9 DG A 3 -0.456 -1.603 6.363 1.00 0.00 N ATOM 73 C8 DG A 3 0.538 -2.415 5.882 1.00 0.00 C ATOM 74 N7 DG A 3 1.469 -1.768 5.240 1.00 0.00 N ATOM 75 C5 DG A 3 1.056 -0.444 5.282 1.00 0.00 C ATOM 76 C6 DG A 3 1.657 0.723 4.748 1.00 0.00 C ATOM 77 O6 DG A 3 2.719 0.826 4.121 1.00 0.00 O ATOM 78 N1 DG A 3 0.896 1.856 5.011 1.00 0.00 N ATOM 79 C2 DG A 3 -0.288 1.867 5.701 1.00 0.00 C ATOM 80 N2 DG A 3 -0.877 3.062 5.835 1.00 0.00 N ATOM 81 N3 DG A 3 -0.856 0.790 6.216 1.00 0.00 N ATOM 82 C4 DG A 3 -0.136 -0.325 5.968 1.00 0.00 C ATOM 0 H5' DG A 3 0.235 -4.052 9.666 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.919 -5.360 9.834 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.254 -3.540 9.847 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.709 -5.125 7.665 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.596 -3.851 5.982 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.138 -3.017 5.972 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.335 -1.210 7.113 1.00 0.00 H new ATOM 0 H8 DG A 3 0.548 -3.486 6.021 1.00 0.00 H new ATOM 0 H1 DG A 3 1.246 2.749 4.663 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.761 3.141 6.338 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.442 3.893 5.434 1.00 0.00 H new ATOM 94 P DT A 4 -5.292 -4.351 7.422 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.359 -4.620 8.420 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.795 -5.458 6.564 1.00 0.00 O ATOM 97 O5' DT A 4 -5.787 -3.174 6.469 1.00 0.00 O ATOM 98 C5' DT A 4 -6.310 -1.962 7.013 1.00 0.00 C ATOM 99 C4' DT A 4 -6.012 -0.803 6.091 1.00 0.00 C ATOM 100 O4' DT A 4 -4.633 -0.896 5.661 1.00 0.00 O ATOM 101 C3' DT A 4 -6.860 -0.744 4.815 1.00 0.00 C ATOM 102 O3' DT A 4 -7.595 0.483 4.773 1.00 0.00 O ATOM 103 C2' DT A 4 -5.851 -0.802 3.678 1.00 0.00 C ATOM 104 C1' DT A 4 -4.538 -0.434 4.333 1.00 0.00 C ATOM 105 N1 DT A 4 -3.353 -1.054 3.714 1.00 0.00 N ATOM 106 C2 DT A 4 -2.318 -0.231 3.343 1.00 0.00 C ATOM 107 O2 DT A 4 -2.343 0.978 3.527 1.00 0.00 O ATOM 108 N3 DT A 4 -1.247 -0.861 2.748 1.00 0.00 N ATOM 109 C4 DT A 4 -1.145 -2.222 2.503 1.00 0.00 C ATOM 110 O4 DT A 4 -0.136 -2.670 1.963 1.00 0.00 O ATOM 111 C5 DT A 4 -2.271 -3.026 2.919 1.00 0.00 C ATOM 112 C7 DT A 4 -2.273 -4.487 2.595 1.00 0.00 C ATOM 113 C6 DT A 4 -3.303 -2.414 3.509 1.00 0.00 C ATOM 0 H5' DT A 4 -5.873 -1.777 7.994 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.387 -2.054 7.156 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.240 0.089 6.675 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.588 -1.553 4.758 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.810 -1.796 3.232 1.00 0.00 H new ATOM 0 H2'' DT A 4 -6.108 -0.105 2.880 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.396 0.642 4.236 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.718 -4.656 1.672 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.803 -5.041 3.408 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.300 -4.830 2.469 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.137 -3.015 3.840 1.00 0.00 H new ATOM 125 P DT A 5 -8.785 0.664 3.707 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.735 1.660 4.265 1.00 0.00 O ATOM 127 OP2 DT A 5 -9.281 -0.681 3.315 1.00 0.00 O ATOM 128 O5' DT A 5 -8.069 1.318 2.445 1.00 0.00 O ATOM 129 C5' DT A 5 -7.379 2.563 2.557 1.00 0.00 C ATOM 130 C4' DT A 5 -6.780 2.947 1.225 1.00 0.00 C ATOM 131 O4' DT A 5 -5.583 2.161 1.018 1.00 0.00 O ATOM 132 C3' DT A 5 -7.684 2.689 0.015 1.00 0.00 C ATOM 133 O3' DT A 5 -7.890 3.904 -0.711 1.00 0.00 O ATOM 134 C2' DT A 5 -6.916 1.690 -0.835 1.00 0.00 C ATOM 135 C1' DT A 5 -5.492 1.798 -0.341 1.00 0.00 C ATOM 136 N1 DT A 5 -4.707 0.552 -0.425 1.00 0.00 N ATOM 137 C2 DT A 5 -3.450 0.623 -0.980 1.00 0.00 C ATOM 138 O2 DT A 5 -2.969 1.659 -1.408 1.00 0.00 O ATOM 139 N3 DT A 5 -2.773 -0.564 -1.017 1.00 0.00 N ATOM 140 C4 DT A 5 -3.217 -1.792 -0.576 1.00 0.00 C ATOM 141 O4 DT A 5 -2.475 -2.768 -0.640 1.00 0.00 O ATOM 142 C5 DT A 5 -4.553 -1.802 -0.020 1.00 0.00 C ATOM 143 C7 DT A 5 -5.162 -3.110 0.377 1.00 0.00 C ATOM 144 C6 DT A 5 -5.224 -0.642 0.040 1.00 0.00 C ATOM 0 H5' DT A 5 -6.594 2.486 3.309 1.00 0.00 H new ATOM 0 H5'' DT A 5 -8.066 3.340 2.893 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.603 4.021 1.281 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.667 2.316 0.302 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.305 0.679 -0.710 1.00 0.00 H new ATOM 0 H2'' DT A 5 -6.989 1.931 -1.896 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.973 2.517 -0.975 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.834 -0.538 -1.415 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.853 -2.953 1.206 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.702 -3.532 -0.471 1.00 0.00 H new ATOM 0 H73 DT A 5 -4.376 -3.799 0.685 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.214 -0.641 0.472 1.00 0.00 H new ATOM 157 P DC A 6 -8.945 3.942 -1.925 1.00 0.00 P ATOM 158 OP1 DC A 6 -9.946 4.992 -1.610 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.399 2.556 -2.208 1.00 0.00 O ATOM 160 O5' DC A 6 -8.082 4.440 -3.167 1.00 0.00 O ATOM 161 C5' DC A 6 -6.935 5.270 -2.982 1.00 0.00 C ATOM 162 C4' DC A 6 -5.826 4.843 -3.915 1.00 0.00 C ATOM 163 O4' DC A 6 -5.375 3.528 -3.515 1.00 0.00 O ATOM 164 C3' DC A 6 -6.231 4.734 -5.389 1.00 0.00 C ATOM 165 O3' DC A 6 -5.390 5.570 -6.193 1.00 0.00 O ATOM 166 C2' DC A 6 -6.015 3.270 -5.742 1.00 0.00 C ATOM 167 C1' DC A 6 -5.084 2.764 -4.663 1.00 0.00 C ATOM 168 N1 DC A 6 -5.246 1.343 -4.314 1.00 0.00 N ATOM 169 C2 DC A 6 -4.108 0.543 -4.215 1.00 0.00 C ATOM 170 O2 DC A 6 -3.000 1.051 -4.434 1.00 0.00 O ATOM 171 N3 DC A 6 -4.238 -0.760 -3.884 1.00 0.00 N ATOM 172 C4 DC A 6 -5.449 -1.271 -3.657 1.00 0.00 C ATOM 173 N4 DC A 6 -5.527 -2.561 -3.326 1.00 0.00 N ATOM 174 C5 DC A 6 -6.632 -0.480 -3.755 1.00 0.00 C ATOM 175 C6 DC A 6 -6.485 0.811 -4.084 1.00 0.00 C ATOM 0 H5' DC A 6 -6.595 5.208 -1.948 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.197 6.311 -3.169 1.00 0.00 H new ATOM 0 H4' DC A 6 -5.063 5.618 -3.840 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.259 5.052 -5.563 1.00 0.00 H new ATOM 0 H2' DC A 6 -6.955 2.719 -5.748 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.574 3.160 -6.733 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.063 2.861 -5.033 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.436 -2.987 -3.145 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.678 -3.121 -3.254 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.608 -0.905 -3.571 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.358 1.441 -4.169 1.00 0.00 H new ATOM 187 P DC A 7 -5.623 5.650 -7.783 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.201 7.006 -8.219 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.001 5.181 -8.081 1.00 0.00 O ATOM 190 O5' DC A 7 -4.596 4.588 -8.381 1.00 0.00 O ATOM 191 C5' DC A 7 -3.316 4.997 -8.869 1.00 0.00 C ATOM 192 C4' DC A 7 -2.685 3.889 -9.681 1.00 0.00 C ATOM 193 O4' DC A 7 -2.791 2.650 -8.945 1.00 0.00 O ATOM 194 C3' DC A 7 -3.328 3.634 -11.050 1.00 0.00 C ATOM 195 O3' DC A 7 -2.347 3.813 -12.078 1.00 0.00 O ATOM 196 C2' DC A 7 -3.794 2.186 -10.995 1.00 0.00 C ATOM 197 C1' DC A 7 -2.998 1.592 -9.852 1.00 0.00 C ATOM 198 N1 DC A 7 -3.661 0.499 -9.120 1.00 0.00 N ATOM 199 C2 DC A 7 -2.928 -0.652 -8.820 1.00 0.00 C ATOM 200 O2 DC A 7 -1.750 -0.728 -9.197 1.00 0.00 O ATOM 201 N3 DC A 7 -3.521 -1.653 -8.130 1.00 0.00 N ATOM 202 C4 DC A 7 -4.793 -1.534 -7.745 1.00 0.00 C ATOM 203 N4 DC A 7 -5.334 -2.543 -7.058 1.00 0.00 N ATOM 204 C5 DC A 7 -5.567 -0.375 -8.044 1.00 0.00 C ATOM 205 C6 DC A 7 -4.966 0.607 -8.728 1.00 0.00 C ATOM 0 H5' DC A 7 -2.667 5.259 -8.033 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.422 5.892 -9.483 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.660 4.216 -9.854 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.151 4.315 -11.267 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.867 2.118 -10.813 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.596 1.666 -11.933 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.093 1.154 -10.273 1.00 0.00 H new ATOM 0 H41 DC A 7 -6.304 -2.486 -6.748 1.00 0.00 H new ATOM 0 H42 DC A 7 -4.777 -3.370 -6.844 1.00 0.00 H new ATOM 0 H5 DC A 7 -6.597 -0.292 -7.731 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.522 1.500 -8.974 1.00 0.00 H new ATOM 217 P DA A 8 -2.804 3.909 -13.618 1.00 0.00 P ATOM 218 OP1 DA A 8 -2.783 5.345 -13.995 1.00 0.00 O ATOM 219 OP2 DA A 8 -4.050 3.122 -13.797 1.00 0.00 O ATOM 220 O5' DA A 8 -1.627 3.174 -14.403 1.00 0.00 O ATOM 221 C5' DA A 8 -0.263 3.553 -14.202 1.00 0.00 C ATOM 222 C4' DA A 8 0.649 2.364 -14.397 1.00 0.00 C ATOM 223 O4' DA A 8 0.119 1.238 -13.658 1.00 0.00 O ATOM 224 C3' DA A 8 0.805 1.893 -15.842 1.00 0.00 C ATOM 225 O3' DA A 8 2.153 1.494 -16.101 1.00 0.00 O ATOM 226 C2' DA A 8 -0.129 0.702 -15.949 1.00 0.00 C ATOM 227 C1' DA A 8 -0.242 0.177 -14.527 1.00 0.00 C ATOM 228 N9 DA A 8 -1.594 -0.245 -14.173 1.00 0.00 N ATOM 229 C8 DA A 8 -2.752 0.451 -14.403 1.00 0.00 C ATOM 230 N7 DA A 8 -3.831 -0.166 -13.988 1.00 0.00 N ATOM 231 C5 DA A 8 -3.350 -1.349 -13.445 1.00 0.00 C ATOM 232 C6 DA A 8 -3.993 -2.441 -12.838 1.00 0.00 C ATOM 233 N6 DA A 8 -5.313 -2.523 -12.670 1.00 0.00 N ATOM 234 N1 DA A 8 -3.221 -3.462 -12.403 1.00 0.00 N ATOM 235 C2 DA A 8 -1.894 -3.380 -12.573 1.00 0.00 C ATOM 236 N3 DA A 8 -1.175 -2.408 -13.132 1.00 0.00 N ATOM 237 C4 DA A 8 -1.972 -1.411 -13.551 1.00 0.00 C ATOM 0 H5' DA A 8 -0.135 3.956 -13.197 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.008 4.345 -14.900 1.00 0.00 H new ATOM 0 H4' DA A 8 1.626 2.701 -14.052 1.00 0.00 H new ATOM 0 H3' DA A 8 0.571 2.677 -16.562 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.102 0.995 -16.342 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.271 -0.057 -16.622 1.00 0.00 H new ATOM 0 HO3' DA A 8 2.233 1.194 -17.031 1.00 0.00 H new ATOM 0 H1' DA A 8 0.406 -0.695 -14.440 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.773 1.419 -14.882 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.720 -3.344 -12.221 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.916 -1.765 -12.990 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.327 -4.222 -12.204 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.519 -10.925 -9.038 1.00 0.00 O ATOM 252 C5' DT B 9 -4.472 -11.720 -9.606 1.00 0.00 C ATOM 253 C4' DT B 9 -3.151 -10.987 -9.574 1.00 0.00 C ATOM 254 O4' DT B 9 -3.238 -9.831 -10.443 1.00 0.00 O ATOM 255 C3' DT B 9 -2.744 -10.445 -8.203 1.00 0.00 C ATOM 256 O3' DT B 9 -1.320 -10.479 -8.055 1.00 0.00 O ATOM 257 C2' DT B 9 -3.241 -9.013 -8.240 1.00 0.00 C ATOM 258 C1' DT B 9 -3.032 -8.642 -9.696 1.00 0.00 C ATOM 259 N1 DT B 9 -3.959 -7.615 -10.211 1.00 0.00 N ATOM 260 C2 DT B 9 -3.422 -6.470 -10.751 1.00 0.00 C ATOM 261 O2 DT B 9 -2.222 -6.269 -10.829 1.00 0.00 O ATOM 262 N3 DT B 9 -4.343 -5.564 -11.202 1.00 0.00 N ATOM 263 C4 DT B 9 -5.715 -5.683 -11.166 1.00 0.00 C ATOM 264 O4 DT B 9 -6.418 -4.780 -11.609 1.00 0.00 O ATOM 265 C5 DT B 9 -6.213 -6.911 -10.586 1.00 0.00 C ATOM 266 C7 DT B 9 -7.692 -7.124 -10.499 1.00 0.00 C ATOM 267 C6 DT B 9 -5.323 -7.809 -10.143 1.00 0.00 C ATOM 0 H5' DT B 9 -4.724 -11.976 -10.635 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.384 -12.657 -9.056 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.411 -11.726 -9.879 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.151 -11.021 -7.372 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.288 -8.937 -7.946 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.674 -8.367 -7.569 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.363 -11.422 -9.073 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.032 -8.218 -9.789 1.00 0.00 H new ATOM 0 H3 DT B 9 -3.973 -4.706 -11.610 1.00 0.00 H new ATOM 0 H71 DT B 9 -7.910 -8.190 -10.562 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.061 -6.734 -9.550 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.184 -6.603 -11.321 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.691 -8.728 -9.712 1.00 0.00 H new ATOM 281 P DG B 10 -0.673 -10.913 -6.649 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.446 -12.380 -6.704 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.498 -10.341 -5.555 1.00 0.00 O ATOM 284 O5' DG B 10 0.748 -10.191 -6.635 1.00 0.00 O ATOM 285 C5' DG B 10 1.752 -10.522 -7.596 1.00 0.00 C ATOM 286 C4' DG B 10 2.660 -9.337 -7.838 1.00 0.00 C ATOM 287 O4' DG B 10 1.850 -8.177 -8.143 1.00 0.00 O ATOM 288 C3' DG B 10 3.532 -8.932 -6.651 1.00 0.00 C ATOM 289 O3' DG B 10 4.785 -8.405 -7.110 1.00 0.00 O ATOM 290 C2' DG B 10 2.710 -7.858 -5.964 1.00 0.00 C ATOM 291 C1' DG B 10 1.947 -7.210 -7.106 1.00 0.00 C ATOM 292 N9 DG B 10 0.593 -6.794 -6.759 1.00 0.00 N ATOM 293 C8 DG B 10 -0.313 -7.486 -5.995 1.00 0.00 C ATOM 294 N7 DG B 10 -1.456 -6.870 -5.866 1.00 0.00 N ATOM 295 C5 DG B 10 -1.291 -5.693 -6.585 1.00 0.00 C ATOM 296 C6 DG B 10 -2.189 -4.617 -6.808 1.00 0.00 C ATOM 297 O6 DG B 10 -3.351 -4.486 -6.406 1.00 0.00 O ATOM 298 N1 DG B 10 -1.612 -3.623 -7.592 1.00 0.00 N ATOM 299 C2 DG B 10 -0.335 -3.660 -8.097 1.00 0.00 C ATOM 300 N2 DG B 10 0.043 -2.606 -8.828 1.00 0.00 N ATOM 301 N3 DG B 10 0.509 -4.655 -7.900 1.00 0.00 N ATOM 302 C4 DG B 10 -0.030 -5.631 -7.140 1.00 0.00 C ATOM 0 H5' DG B 10 1.283 -10.826 -8.532 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.337 -11.371 -7.242 1.00 0.00 H new ATOM 0 H4' DG B 10 3.317 -9.653 -8.648 1.00 0.00 H new ATOM 0 H3' DG B 10 3.778 -9.763 -5.990 1.00 0.00 H new ATOM 0 H2' DG B 10 2.035 -8.283 -5.221 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.343 -7.138 -5.445 1.00 0.00 H new ATOM 0 H1' DG B 10 2.489 -6.309 -7.391 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.101 -8.445 -5.545 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.181 -2.804 -7.808 1.00 0.00 H new ATOM 0 H21 DG B 10 0.980 -2.574 -9.231 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.605 -1.834 -8.983 1.00 0.00 H new ATOM 314 P DG B 11 5.725 -7.574 -6.103 1.00 0.00 P ATOM 315 OP1 DG B 11 7.017 -7.337 -6.796 1.00 0.00 O ATOM 316 OP2 DG B 11 5.718 -8.259 -4.784 1.00 0.00 O ATOM 317 O5' DG B 11 4.983 -6.172 -5.939 1.00 0.00 O ATOM 318 C5' DG B 11 5.094 -5.157 -6.939 1.00 0.00 C ATOM 319 C4' DG B 11 4.932 -3.787 -6.321 1.00 0.00 C ATOM 320 O4' DG B 11 3.522 -3.523 -6.117 1.00 0.00 O ATOM 321 C3' DG B 11 5.604 -3.601 -4.956 1.00 0.00 C ATOM 322 O3' DG B 11 6.351 -2.377 -4.947 1.00 0.00 O ATOM 323 C2' DG B 11 4.442 -3.540 -3.981 1.00 0.00 C ATOM 324 C1' DG B 11 3.329 -2.973 -4.830 1.00 0.00 C ATOM 325 N9 DG B 11 1.989 -3.330 -4.380 1.00 0.00 N ATOM 326 C8 DG B 11 1.615 -4.489 -3.751 1.00 0.00 C ATOM 327 N7 DG B 11 0.343 -4.536 -3.467 1.00 0.00 N ATOM 328 C5 DG B 11 -0.154 -3.325 -3.933 1.00 0.00 C ATOM 329 C6 DG B 11 -1.473 -2.798 -3.904 1.00 0.00 C ATOM 330 O6 DG B 11 -2.501 -3.313 -3.448 1.00 0.00 O ATOM 331 N1 DG B 11 -1.530 -1.537 -4.484 1.00 0.00 N ATOM 332 C2 DG B 11 -0.460 -0.867 -5.022 1.00 0.00 C ATOM 333 N2 DG B 11 -0.714 0.344 -5.529 1.00 0.00 N ATOM 334 N3 DG B 11 0.770 -1.346 -5.059 1.00 0.00 N ATOM 335 C4 DG B 11 0.850 -2.570 -4.500 1.00 0.00 C ATOM 0 H5' DG B 11 4.335 -5.309 -7.706 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.064 -5.228 -7.432 1.00 0.00 H new ATOM 0 H4' DG B 11 5.414 -3.107 -7.023 1.00 0.00 H new ATOM 0 H3' DG B 11 6.307 -4.396 -4.707 1.00 0.00 H new ATOM 0 H2' DG B 11 4.190 -4.525 -3.588 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.664 -2.903 -3.125 1.00 0.00 H new ATOM 0 H1' DG B 11 3.378 -1.885 -4.787 1.00 0.00 H new ATOM 0 H8 DG B 11 2.306 -5.285 -3.514 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.438 -1.073 -4.512 1.00 0.00 H new ATOM 0 H21 DG B 11 0.040 0.892 -5.943 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.662 0.720 -5.502 1.00 0.00 H new ATOM 347 P DA B 12 7.296 -2.016 -3.695 1.00 0.00 P ATOM 348 OP1 DA B 12 8.699 -2.223 -4.132 1.00 0.00 O ATOM 349 OP2 DA B 12 6.794 -2.719 -2.487 1.00 0.00 O ATOM 350 O5' DA B 12 7.074 -0.451 -3.490 1.00 0.00 O ATOM 351 C5' DA B 12 7.027 0.438 -4.609 1.00 0.00 C ATOM 352 C4' DA B 12 6.246 1.684 -4.259 1.00 0.00 C ATOM 353 O4' DA B 12 4.866 1.320 -4.010 1.00 0.00 O ATOM 354 C3' DA B 12 6.723 2.421 -3.005 1.00 0.00 C ATOM 355 O3' DA B 12 6.635 3.838 -3.198 1.00 0.00 O ATOM 356 C2' DA B 12 5.757 1.961 -1.932 1.00 0.00 C ATOM 357 C1' DA B 12 4.476 1.716 -2.706 1.00 0.00 C ATOM 358 N9 DA B 12 3.644 0.656 -2.143 1.00 0.00 N ATOM 359 C8 DA B 12 4.090 -0.477 -1.518 1.00 0.00 C ATOM 360 N7 DA B 12 3.130 -1.270 -1.110 1.00 0.00 N ATOM 361 C5 DA B 12 1.970 -0.609 -1.488 1.00 0.00 C ATOM 362 C6 DA B 12 0.608 -0.925 -1.338 1.00 0.00 C ATOM 363 N6 DA B 12 0.168 -2.034 -0.741 1.00 0.00 N ATOM 364 N1 DA B 12 -0.298 -0.052 -1.828 1.00 0.00 N ATOM 365 C2 DA B 12 0.145 1.065 -2.424 1.00 0.00 C ATOM 366 N3 DA B 12 1.397 1.472 -2.624 1.00 0.00 N ATOM 367 C4 DA B 12 2.272 0.580 -2.127 1.00 0.00 C ATOM 0 H5' DA B 12 6.564 -0.062 -5.460 1.00 0.00 H new ATOM 0 H5'' DA B 12 8.039 0.708 -4.910 1.00 0.00 H new ATOM 0 H4' DA B 12 6.385 2.350 -5.111 1.00 0.00 H new ATOM 0 H3' DA B 12 7.762 2.211 -2.752 1.00 0.00 H new ATOM 0 H2' DA B 12 6.107 1.056 -1.435 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.623 2.718 -1.159 1.00 0.00 H new ATOM 0 H1' DA B 12 3.881 2.629 -2.680 1.00 0.00 H new ATOM 0 H8 DA B 12 5.137 -0.697 -1.374 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.834 -2.208 -0.663 1.00 0.00 H new ATOM 0 H62 DA B 12 0.834 -2.708 -0.363 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.623 1.728 -2.794 1.00 0.00 H new HETATM 379 P EDI B 13 7.271 4.836 -2.109 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.286 5.660 -2.812 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.665 4.056 -0.909 1.00 0.00 O HETATM 382 O5' EDI B 13 6.058 5.790 -1.708 1.00 0.00 O HETATM 383 C5' EDI B 13 5.471 6.674 -2.665 1.00 0.00 C HETATM 384 C4' EDI B 13 4.319 7.432 -2.044 1.00 0.00 C HETATM 385 O4' EDI B 13 3.284 6.494 -1.669 1.00 0.00 O HETATM 386 C3' EDI B 13 4.654 8.205 -0.770 1.00 0.00 C HETATM 387 O3' EDI B 13 3.846 9.385 -0.681 1.00 0.00 O HETATM 388 C2' EDI B 13 4.316 7.224 0.332 1.00 0.00 C HETATM 389 C1' EDI B 13 3.195 6.385 -0.254 1.00 0.00 C HETATM 390 N9 EDI B 13 3.297 4.974 0.093 1.00 0.00 N HETATM 391 C8 EDI B 13 4.449 4.243 0.199 1.00 0.00 C HETATM 392 N7 EDI B 13 4.244 2.998 0.526 1.00 0.00 N HETATM 393 C5 EDI B 13 2.864 2.903 0.644 1.00 0.00 C HETATM 394 C6 EDI B 13 2.047 1.795 0.979 1.00 0.00 C HETATM 395 O6 EDI B 13 2.395 0.638 1.246 1.00 0.00 O HETATM 396 N1 EDI B 13 0.695 2.138 0.986 1.00 0.00 N HETATM 397 C2 EDI B 13 0.201 3.389 0.705 1.00 0.00 C HETATM 398 N3 EDI B 13 0.954 4.429 0.392 1.00 0.00 N HETATM 399 C4 EDI B 13 2.265 4.116 0.380 1.00 0.00 C HETATM 400 C11 EDI B 13 -0.122 -0.023 2.340 1.00 0.00 C HETATM 401 C12 EDI B 13 -0.270 1.091 1.314 1.00 0.00 C ATOM 415 P DC B 14 3.889 10.289 0.650 1.00 0.00 P ATOM 416 OP1 DC B 14 3.462 11.657 0.258 1.00 0.00 O ATOM 417 OP2 DC B 14 5.202 10.095 1.318 1.00 0.00 O ATOM 418 O5' DC B 14 2.758 9.662 1.583 1.00 0.00 O ATOM 419 C5' DC B 14 1.523 10.349 1.812 1.00 0.00 C ATOM 420 C4' DC B 14 0.539 9.444 2.517 1.00 0.00 C ATOM 421 O4' DC B 14 0.956 8.071 2.338 1.00 0.00 O ATOM 422 C3' DC B 14 0.423 9.669 4.030 1.00 0.00 C ATOM 423 O3' DC B 14 -0.928 9.996 4.377 1.00 0.00 O ATOM 424 C2' DC B 14 0.821 8.340 4.654 1.00 0.00 C ATOM 425 C1' DC B 14 0.722 7.342 3.522 1.00 0.00 C ATOM 426 N1 DC B 14 1.712 6.258 3.587 1.00 0.00 N ATOM 427 C2 DC B 14 1.271 4.943 3.740 1.00 0.00 C ATOM 428 O2 DC B 14 0.055 4.723 3.840 1.00 0.00 O ATOM 429 N3 DC B 14 2.180 3.943 3.778 1.00 0.00 N ATOM 430 C4 DC B 14 3.481 4.219 3.675 1.00 0.00 C ATOM 431 N4 DC B 14 4.339 3.198 3.705 1.00 0.00 N ATOM 432 C5 DC B 14 3.959 5.554 3.533 1.00 0.00 C ATOM 433 C6 DC B 14 3.047 6.533 3.494 1.00 0.00 C ATOM 0 H5' DC B 14 1.104 10.683 0.863 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.702 11.241 2.413 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.430 9.673 2.073 1.00 0.00 H new ATOM 0 H3' DC B 14 1.051 10.490 4.376 1.00 0.00 H new ATOM 0 H2' DC B 14 1.832 8.380 5.060 1.00 0.00 H new ATOM 0 H2'' DC B 14 0.157 8.074 5.476 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.258 6.867 3.573 1.00 0.00 H new ATOM 0 H41 DC B 14 5.341 3.372 3.629 1.00 0.00 H new ATOM 0 H42 DC B 14 3.993 2.244 3.804 1.00 0.00 H new ATOM 0 H5 DC B 14 5.015 5.767 3.460 1.00 0.00 H new ATOM 0 H6 DC B 14 3.372 7.557 3.387 1.00 0.00 H new ATOM 445 P DT B 15 -1.290 10.397 5.892 1.00 0.00 P ATOM 446 OP1 DT B 15 -2.631 11.033 5.873 1.00 0.00 O ATOM 447 OP2 DT B 15 -0.137 11.135 6.472 1.00 0.00 O ATOM 448 O5' DT B 15 -1.411 8.998 6.646 1.00 0.00 O ATOM 449 C5' DT B 15 -2.525 8.132 6.418 1.00 0.00 C ATOM 450 C4' DT B 15 -2.523 7.000 7.419 1.00 0.00 C ATOM 451 O4' DT B 15 -1.387 6.144 7.148 1.00 0.00 O ATOM 452 C3' DT B 15 -2.404 7.428 8.887 1.00 0.00 C ATOM 453 O3' DT B 15 -3.425 6.789 9.664 1.00 0.00 O ATOM 454 C2' DT B 15 -1.020 6.956 9.305 1.00 0.00 C ATOM 455 C1' DT B 15 -0.748 5.805 8.361 1.00 0.00 C ATOM 456 N1 DT B 15 0.676 5.563 8.069 1.00 0.00 N ATOM 457 C2 DT B 15 1.123 4.262 8.055 1.00 0.00 C ATOM 458 O2 DT B 15 0.406 3.307 8.296 1.00 0.00 O ATOM 459 N3 DT B 15 2.449 4.118 7.751 1.00 0.00 N ATOM 460 C4 DT B 15 3.355 5.118 7.474 1.00 0.00 C ATOM 461 O4 DT B 15 4.507 4.827 7.166 1.00 0.00 O ATOM 462 C5 DT B 15 2.826 6.462 7.527 1.00 0.00 C ATOM 463 C7 DT B 15 3.761 7.615 7.327 1.00 0.00 C ATOM 464 C6 DT B 15 1.524 6.619 7.813 1.00 0.00 C ATOM 0 H5' DT B 15 -2.481 7.731 5.405 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.455 8.695 6.498 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.489 6.510 7.298 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.529 8.501 9.032 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.277 7.746 9.201 1.00 0.00 H new ATOM 0 H2'' DT B 15 -1.001 6.636 10.347 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.112 4.893 8.833 1.00 0.00 H new ATOM 0 H3 DT B 15 2.807 3.163 7.727 1.00 0.00 H new ATOM 0 H71 DT B 15 4.755 7.343 7.681 1.00 0.00 H new ATOM 0 H72 DT B 15 3.809 7.865 6.267 1.00 0.00 H new ATOM 0 H73 DT B 15 3.400 8.478 7.887 1.00 0.00 H new ATOM 0 H6 DT B 15 1.122 7.621 7.844 1.00 0.00 H new ATOM 477 P DG B 16 -3.391 6.887 11.268 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.774 6.653 11.756 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.681 8.135 11.651 1.00 0.00 O ATOM 480 O5' DG B 16 -2.488 5.649 11.708 1.00 0.00 O ATOM 481 C5' DG B 16 -3.035 4.330 11.794 1.00 0.00 C ATOM 482 C4' DG B 16 -2.277 3.516 12.817 1.00 0.00 C ATOM 483 O4' DG B 16 -1.043 3.050 12.218 1.00 0.00 O ATOM 484 C3' DG B 16 -1.880 4.280 14.083 1.00 0.00 C ATOM 485 O3' DG B 16 -2.098 3.482 15.248 1.00 0.00 O ATOM 486 C2' DG B 16 -0.401 4.556 13.894 1.00 0.00 C ATOM 487 C1' DG B 16 0.058 3.394 13.037 1.00 0.00 C ATOM 488 N9 DG B 16 1.184 3.711 12.167 1.00 0.00 N ATOM 489 C8 DG B 16 1.458 4.925 11.595 1.00 0.00 C ATOM 490 N7 DG B 16 2.537 4.919 10.862 1.00 0.00 N ATOM 491 C5 DG B 16 3.006 3.615 10.959 1.00 0.00 C ATOM 492 C6 DG B 16 4.148 3.002 10.380 1.00 0.00 C ATOM 493 O6 DG B 16 5.003 3.506 9.643 1.00 0.00 O ATOM 494 N1 DG B 16 4.246 1.662 10.739 1.00 0.00 N ATOM 495 C2 DG B 16 3.361 0.996 11.549 1.00 0.00 C ATOM 496 N2 DG B 16 3.624 -0.294 11.778 1.00 0.00 N ATOM 497 N3 DG B 16 2.296 1.554 12.096 1.00 0.00 N ATOM 498 C4 DG B 16 2.181 2.856 11.761 1.00 0.00 C ATOM 0 H5' DG B 16 -2.983 3.843 10.820 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.089 4.383 12.069 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.957 2.717 13.111 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.465 5.189 14.224 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.229 5.513 13.401 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.128 4.588 14.846 1.00 0.00 H new ATOM 0 HO3' DG B 16 -1.836 3.988 16.045 1.00 0.00 H new ATOM 0 H1' DG B 16 0.392 2.593 13.696 1.00 0.00 H new ATOM 0 H8 DG B 16 0.842 5.801 11.737 1.00 0.00 H new ATOM 0 H1 DG B 16 5.037 1.133 10.372 1.00 0.00 H new ATOM 0 H21 DG B 16 3.003 -0.843 12.372 1.00 0.00 H new ATOM 0 H22 DG B 16 4.446 -0.729 11.359 1.00 0.00 H new TER 511 DG B 16