USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 196 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 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.66 (180deg=-1.66) USER MOD Single : A 5 DT C7 :methyl -30:sc= -5.32! (180deg=-5.98!) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0728 (180deg=-0.436) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -10.3! (180deg=-10.3!) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl -30:sc= -0.508 (180deg=-1.09) USER MOD Single : A 17 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.275 -2.657 -9.653 1.00 0.40 O ATOM 2 C5' DG A 1 -0.530 -2.838 -8.485 1.00 0.32 C ATOM 3 C4' DG A 1 -2.015 -2.732 -8.807 1.00 0.24 C ATOM 4 O4' DG A 1 -2.763 -3.075 -7.636 1.00 0.22 O ATOM 5 C3' DG A 1 -2.460 -1.331 -9.212 1.00 0.19 C ATOM 6 O3' DG A 1 -3.658 -1.417 -10.009 1.00 0.20 O ATOM 7 C2' DG A 1 -2.764 -0.710 -7.862 1.00 0.18 C ATOM 8 C1' DG A 1 -3.395 -1.891 -7.140 1.00 0.17 C ATOM 9 N9 DG A 1 -3.246 -1.875 -5.674 1.00 0.17 N ATOM 10 C8 DG A 1 -4.225 -1.955 -4.738 1.00 0.19 C ATOM 11 N7 DG A 1 -3.826 -1.903 -3.507 1.00 0.19 N ATOM 12 C5 DG A 1 -2.448 -1.778 -3.628 1.00 0.15 C ATOM 13 C6 DG A 1 -1.462 -1.677 -2.620 1.00 0.15 C ATOM 14 O6 DG A 1 -1.618 -1.674 -1.409 1.00 0.17 O ATOM 15 N1 DG A 1 -0.194 -1.568 -3.155 1.00 0.15 N ATOM 16 C2 DG A 1 0.098 -1.559 -4.498 1.00 0.17 C ATOM 17 N2 DG A 1 1.380 -1.448 -4.816 1.00 0.21 N ATOM 18 N3 DG A 1 -0.826 -1.653 -5.460 1.00 0.17 N ATOM 19 C4 DG A 1 -2.077 -1.761 -4.953 1.00 0.15 C ATOM 0 H5' DG A 1 -0.264 -2.089 -7.739 1.00 0.32 H new ATOM 0 H5'' DG A 1 -0.321 -3.813 -8.046 1.00 0.32 H new ATOM 0 H4' DG A 1 -2.192 -3.403 -9.648 1.00 0.24 H new ATOM 0 H3' DG A 1 -1.734 -0.773 -9.803 1.00 0.19 H new ATOM 0 H2' DG A 1 -1.865 -0.351 -7.360 1.00 0.18 H new ATOM 0 H2'' DG A 1 -3.445 0.138 -7.941 1.00 0.18 H new ATOM 0 HO5' DG A 1 1.222 -2.729 -9.412 1.00 0.40 H new ATOM 0 H1' DG A 1 -4.467 -1.846 -7.334 1.00 0.17 H new ATOM 0 H8 DG A 1 -5.267 -2.055 -5.002 1.00 0.19 H new ATOM 0 H1 DG A 1 0.586 -1.488 -2.503 1.00 0.15 H new ATOM 0 H21 DG A 1 1.663 -1.435 -5.796 1.00 0.21 H new ATOM 0 H22 DG A 1 2.083 -1.375 -4.081 1.00 0.21 H new ATOM 31 P DG A 2 -4.311 -0.108 -10.691 1.00 0.23 P ATOM 32 OP1 DG A 2 -5.378 -0.547 -11.621 1.00 0.30 O ATOM 33 OP2 DG A 2 -3.210 0.751 -11.181 1.00 0.27 O ATOM 34 O5' DG A 2 -4.997 0.626 -9.436 1.00 0.21 O ATOM 35 C5' DG A 2 -6.061 0.000 -8.708 1.00 0.19 C ATOM 36 C4' DG A 2 -6.367 0.757 -7.420 1.00 0.16 C ATOM 37 O4' DG A 2 -5.383 0.459 -6.415 1.00 0.16 O ATOM 38 C3' DG A 2 -6.375 2.281 -7.602 1.00 0.16 C ATOM 39 O3' DG A 2 -7.659 2.803 -7.235 1.00 0.21 O ATOM 40 C2' DG A 2 -5.310 2.782 -6.631 1.00 0.16 C ATOM 41 C1' DG A 2 -5.212 1.640 -5.642 1.00 0.14 C ATOM 42 N9 DG A 2 -3.929 1.566 -4.909 1.00 0.13 N ATOM 43 C8 DG A 2 -2.654 1.719 -5.378 1.00 0.14 C ATOM 44 N7 DG A 2 -1.724 1.711 -4.469 1.00 0.14 N ATOM 45 C5 DG A 2 -2.436 1.532 -3.287 1.00 0.14 C ATOM 46 C6 DG A 2 -1.967 1.446 -1.951 1.00 0.16 C ATOM 47 O6 DG A 2 -0.817 1.541 -1.549 1.00 0.18 O ATOM 48 N1 DG A 2 -3.005 1.259 -1.055 1.00 0.15 N ATOM 49 C2 DG A 2 -4.334 1.166 -1.396 1.00 0.15 C ATOM 50 N2 DG A 2 -5.190 0.969 -0.398 1.00 0.16 N ATOM 51 N3 DG A 2 -4.784 1.253 -2.650 1.00 0.14 N ATOM 52 C4 DG A 2 -3.784 1.435 -3.544 1.00 0.13 C ATOM 0 H5' DG A 2 -5.788 -1.029 -8.472 1.00 0.19 H new ATOM 0 H5'' DG A 2 -6.955 -0.042 -9.330 1.00 0.19 H new ATOM 0 H4' DG A 2 -7.363 0.430 -7.121 1.00 0.16 H new ATOM 0 H3' DG A 2 -6.179 2.587 -8.630 1.00 0.16 H new ATOM 0 H2' DG A 2 -4.360 2.970 -7.131 1.00 0.16 H new ATOM 0 H2'' DG A 2 -5.606 3.714 -6.148 1.00 0.16 H new ATOM 0 H1' DG A 2 -5.966 1.780 -4.867 1.00 0.14 H new ATOM 0 H8 DG A 2 -2.435 1.838 -6.429 1.00 0.14 H new ATOM 0 H1 DG A 2 -2.766 1.184 -0.066 1.00 0.15 H new ATOM 0 H21 DG A 2 -6.189 0.892 -0.590 1.00 0.16 H new ATOM 0 H22 DG A 2 -4.848 0.895 0.560 1.00 0.16 H new ATOM 64 P DT A 3 -8.029 4.352 -7.496 1.00 0.23 P ATOM 65 OP1 DT A 3 -9.500 4.465 -7.589 1.00 0.29 O ATOM 66 OP2 DT A 3 -7.181 4.848 -8.604 1.00 0.26 O ATOM 67 O5' DT A 3 -7.546 5.066 -6.124 1.00 0.24 O ATOM 68 C5' DT A 3 -6.430 5.970 -6.114 1.00 0.23 C ATOM 69 C4' DT A 3 -5.953 6.294 -4.689 1.00 0.26 C ATOM 70 O4' DT A 3 -4.672 6.932 -4.747 1.00 0.34 O ATOM 71 C3' DT A 3 -6.860 7.252 -3.932 1.00 0.32 C ATOM 72 O3' DT A 3 -6.649 7.101 -2.519 1.00 0.36 O ATOM 73 C2' DT A 3 -6.332 8.613 -4.376 1.00 0.38 C ATOM 74 C1' DT A 3 -4.832 8.339 -4.487 1.00 0.39 C ATOM 75 N1 DT A 3 -4.161 9.068 -5.582 1.00 0.47 N ATOM 76 C2 DT A 3 -3.374 10.158 -5.245 1.00 0.65 C ATOM 77 O2 DT A 3 -3.227 10.531 -4.084 1.00 0.74 O ATOM 78 N3 DT A 3 -2.759 10.807 -6.295 1.00 0.75 N ATOM 79 C4 DT A 3 -2.858 10.471 -7.632 1.00 0.69 C ATOM 80 O4 DT A 3 -2.262 11.126 -8.484 1.00 0.82 O ATOM 81 C5 DT A 3 -3.699 9.321 -7.891 1.00 0.52 C ATOM 82 C7 DT A 3 -3.894 8.839 -9.327 1.00 0.54 C ATOM 83 C6 DT A 3 -4.312 8.668 -6.883 1.00 0.42 C ATOM 0 H5' DT A 3 -6.710 6.894 -6.620 1.00 0.23 H new ATOM 0 H5'' DT A 3 -5.607 5.533 -6.680 1.00 0.23 H new ATOM 0 H4' DT A 3 -5.939 5.336 -4.169 1.00 0.26 H new ATOM 0 H3' DT A 3 -7.922 7.099 -4.122 1.00 0.32 H new ATOM 0 H2' DT A 3 -6.762 8.929 -5.326 1.00 0.38 H new ATOM 0 H2'' DT A 3 -6.553 9.395 -3.650 1.00 0.38 H new ATOM 0 H1' DT A 3 -4.376 8.673 -3.555 1.00 0.39 H new ATOM 0 H3 DT A 3 -2.176 11.611 -6.063 1.00 0.75 H new ATOM 0 H71 DT A 3 -4.062 7.762 -9.330 1.00 0.54 H new ATOM 0 H72 DT A 3 -4.756 9.342 -9.766 1.00 0.54 H new ATOM 0 H73 DT A 3 -3.003 9.068 -9.912 1.00 0.54 H new ATOM 0 H6 DT A 3 -4.934 7.813 -7.106 1.00 0.42 H new ATOM 96 P DT A 4 -7.354 5.911 -1.690 1.00 0.33 P ATOM 97 OP1 DT A 4 -8.620 5.560 -2.369 1.00 0.42 O ATOM 98 OP2 DT A 4 -7.369 6.295 -0.260 1.00 0.43 O ATOM 99 O5' DT A 4 -6.337 4.681 -1.875 1.00 0.24 O ATOM 100 C5' DT A 4 -6.041 3.820 -0.773 1.00 0.23 C ATOM 101 C4' DT A 4 -4.659 4.093 -0.222 1.00 0.19 C ATOM 102 O4' DT A 4 -3.690 3.815 -1.234 1.00 0.19 O ATOM 103 C3' DT A 4 -4.468 5.547 0.206 1.00 0.18 C ATOM 104 O3' DT A 4 -4.026 5.592 1.563 1.00 0.21 O ATOM 105 C2' DT A 4 -3.355 6.054 -0.716 1.00 0.18 C ATOM 106 C1' DT A 4 -2.654 4.758 -1.075 1.00 0.19 C ATOM 107 N1 DT A 4 -1.897 4.826 -2.328 1.00 0.20 N ATOM 108 C2 DT A 4 -0.508 4.863 -2.267 1.00 0.21 C ATOM 109 O2 DT A 4 0.148 4.789 -1.206 1.00 0.23 O ATOM 110 N3 DT A 4 0.121 4.986 -3.479 1.00 0.21 N ATOM 111 C4 DT A 4 -0.470 5.071 -4.716 1.00 0.21 C ATOM 112 O4 DT A 4 0.221 5.197 -5.726 1.00 0.24 O ATOM 113 C5 DT A 4 -1.907 5.018 -4.683 1.00 0.20 C ATOM 114 C7 DT A 4 -2.695 5.100 -5.984 1.00 0.23 C ATOM 115 C6 DT A 4 -2.563 4.899 -3.519 1.00 0.20 C ATOM 0 H5' DT A 4 -6.109 2.780 -1.092 1.00 0.23 H new ATOM 0 H5'' DT A 4 -6.783 3.962 0.013 1.00 0.23 H new ATOM 0 H4' DT A 4 -4.537 3.456 0.654 1.00 0.19 H new ATOM 0 H3' DT A 4 -5.381 6.138 0.138 1.00 0.18 H new ATOM 0 H2' DT A 4 -3.749 6.565 -1.594 1.00 0.18 H new ATOM 0 H2'' DT A 4 -2.690 6.755 -0.211 1.00 0.18 H new ATOM 0 H1' DT A 4 -1.931 4.511 -0.298 1.00 0.19 H new ATOM 0 H3 DT A 4 1.140 5.018 -3.460 1.00 0.21 H new ATOM 0 H71 DT A 4 -3.626 4.543 -5.881 1.00 0.23 H new ATOM 0 H72 DT A 4 -2.919 6.143 -6.209 1.00 0.23 H new ATOM 0 H73 DT A 4 -2.104 4.673 -6.795 1.00 0.23 H new ATOM 0 H6 DT A 4 -3.642 4.860 -3.523 1.00 0.20 H new ATOM 128 P DT A 5 -4.270 6.922 2.433 1.00 0.27 P ATOM 129 OP1 DT A 5 -5.720 7.212 2.449 1.00 0.44 O ATOM 130 OP2 DT A 5 -3.316 7.954 1.974 1.00 0.43 O ATOM 131 O5' DT A 5 -3.835 6.470 3.915 1.00 0.28 O ATOM 132 C5' DT A 5 -4.182 5.175 4.412 1.00 0.25 C ATOM 133 C4' DT A 5 -2.937 4.357 4.736 1.00 0.20 C ATOM 134 O4' DT A 5 -1.994 4.463 3.654 1.00 0.22 O ATOM 135 C3' DT A 5 -2.210 4.798 6.013 1.00 0.23 C ATOM 136 O3' DT A 5 -1.867 3.630 6.769 1.00 0.30 O ATOM 137 C2' DT A 5 -0.923 5.464 5.484 1.00 0.23 C ATOM 138 C1' DT A 5 -0.698 4.693 4.212 1.00 0.20 C ATOM 139 N1 DT A 5 0.131 5.410 3.233 1.00 0.17 N ATOM 140 C2 DT A 5 1.502 5.340 3.391 1.00 0.20 C ATOM 141 O2 DT A 5 2.025 4.731 4.317 1.00 0.26 O ATOM 142 N3 DT A 5 2.253 6.011 2.452 1.00 0.19 N ATOM 143 C4 DT A 5 1.767 6.733 1.387 1.00 0.19 C ATOM 144 O4 DT A 5 2.533 7.297 0.613 1.00 0.26 O ATOM 145 C5 DT A 5 0.326 6.750 1.300 1.00 0.17 C ATOM 146 C7 DT A 5 -0.333 7.453 0.127 1.00 0.22 C ATOM 147 C6 DT A 5 -0.435 6.108 2.209 1.00 0.16 C ATOM 0 H5' DT A 5 -4.784 4.648 3.672 1.00 0.25 H new ATOM 0 H5'' DT A 5 -4.795 5.278 5.307 1.00 0.25 H new ATOM 0 H4' DT A 5 -3.292 3.337 4.886 1.00 0.20 H new ATOM 0 H3' DT A 5 -2.800 5.457 6.650 1.00 0.23 H new ATOM 0 H2' DT A 5 -1.056 6.530 5.301 1.00 0.23 H new ATOM 0 H2'' DT A 5 -0.090 5.362 6.180 1.00 0.23 H new ATOM 0 H1' DT A 5 -0.159 3.774 4.443 1.00 0.20 H new ATOM 0 H3 DT A 5 3.267 5.969 2.556 1.00 0.19 H new ATOM 0 H71 DT A 5 0.299 8.276 -0.206 1.00 0.22 H new ATOM 0 H72 DT A 5 -0.469 6.746 -0.691 1.00 0.22 H new ATOM 0 H73 DT A 5 -1.303 7.843 0.435 1.00 0.22 H new ATOM 0 H6 DT A 5 -1.511 6.148 2.124 1.00 0.16 H new ATOM 160 P DG A 6 -2.753 3.169 8.036 1.00 0.39 P ATOM 161 OP1 DG A 6 -2.737 4.261 9.036 1.00 0.51 O ATOM 162 OP2 DG A 6 -2.313 1.810 8.429 1.00 0.67 O ATOM 163 O5' DG A 6 -4.241 3.052 7.424 1.00 0.42 O ATOM 164 C5' DG A 6 -5.397 3.279 8.243 1.00 0.39 C ATOM 165 C4' DG A 6 -6.544 2.327 7.891 1.00 0.30 C ATOM 166 O4' DG A 6 -6.704 2.283 6.469 1.00 0.28 O ATOM 167 C3' DG A 6 -6.343 0.889 8.380 1.00 0.27 C ATOM 168 O3' DG A 6 -7.567 0.367 8.945 1.00 0.28 O ATOM 169 C2' DG A 6 -5.981 0.099 7.113 1.00 0.23 C ATOM 170 C1' DG A 6 -6.617 0.931 6.004 1.00 0.23 C ATOM 171 N9 DG A 6 -5.850 0.953 4.746 1.00 0.21 N ATOM 172 C8 DG A 6 -6.308 0.962 3.458 1.00 0.23 C ATOM 173 N7 DG A 6 -5.387 1.029 2.545 1.00 0.22 N ATOM 174 C5 DG A 6 -4.208 1.066 3.289 1.00 0.19 C ATOM 175 C6 DG A 6 -2.863 1.139 2.853 1.00 0.20 C ATOM 176 O6 DG A 6 -2.445 1.202 1.706 1.00 0.24 O ATOM 177 N1 DG A 6 -1.980 1.147 3.921 1.00 0.19 N ATOM 178 C2 DG A 6 -2.339 1.096 5.246 1.00 0.19 C ATOM 179 N2 DG A 6 -1.346 1.099 6.137 1.00 0.22 N ATOM 180 N3 DG A 6 -3.601 1.033 5.661 1.00 0.19 N ATOM 181 C4 DG A 6 -4.482 1.019 4.633 1.00 0.19 C ATOM 0 H5' DG A 6 -5.731 4.310 8.122 1.00 0.39 H new ATOM 0 H5'' DG A 6 -5.129 3.152 9.292 1.00 0.39 H new ATOM 0 H4' DG A 6 -7.423 2.725 8.399 1.00 0.30 H new ATOM 0 H3' DG A 6 -5.579 0.824 9.155 1.00 0.27 H new ATOM 0 H2' DG A 6 -4.902 0.012 6.985 1.00 0.23 H new ATOM 0 H2'' DG A 6 -6.382 -0.914 7.139 1.00 0.23 H new ATOM 0 H1' DG A 6 -7.583 0.476 5.786 1.00 0.23 H new ATOM 0 H8 DG A 6 -7.360 0.917 3.217 1.00 0.23 H new ATOM 0 H1 DG A 6 -0.984 1.195 3.706 1.00 0.19 H new ATOM 0 H21 DG A 6 -1.556 1.062 7.135 1.00 0.22 H new ATOM 0 H22 DG A 6 -0.377 1.138 5.821 1.00 0.22 H new ATOM 193 P DG A 7 -9.035 0.653 8.315 1.00 0.29 P ATOM 194 OP1 DG A 7 -9.184 2.110 8.100 1.00 0.35 O ATOM 195 OP2 DG A 7 -10.031 -0.071 9.137 1.00 0.36 O ATOM 196 O5' DG A 7 -8.978 -0.072 6.870 1.00 0.27 O ATOM 197 C5' DG A 7 -9.159 -1.491 6.747 1.00 0.27 C ATOM 198 C4' DG A 7 -8.964 -1.967 5.298 1.00 0.22 C ATOM 199 O4' DG A 7 -7.698 -1.515 4.794 1.00 0.21 O ATOM 200 C3' DG A 7 -8.996 -3.500 5.105 1.00 0.21 C ATOM 201 O3' DG A 7 -9.896 -3.822 4.030 1.00 0.25 O ATOM 202 C2' DG A 7 -7.567 -3.840 4.667 1.00 0.19 C ATOM 203 C1' DG A 7 -7.164 -2.561 3.989 1.00 0.18 C ATOM 204 N9 DG A 7 -5.725 -2.392 3.893 1.00 0.18 N ATOM 205 C8 DG A 7 -4.804 -2.397 4.881 1.00 0.19 C ATOM 206 N7 DG A 7 -3.581 -2.271 4.493 1.00 0.18 N ATOM 207 C5 DG A 7 -3.702 -2.178 3.119 1.00 0.16 C ATOM 208 C6 DG A 7 -2.703 -2.034 2.149 1.00 0.16 C ATOM 209 O6 DG A 7 -1.497 -1.959 2.338 1.00 0.19 O ATOM 210 N1 DG A 7 -3.241 -1.982 0.871 1.00 0.16 N ATOM 211 C2 DG A 7 -4.588 -2.061 0.579 1.00 0.16 C ATOM 212 N2 DG A 7 -4.933 -2.015 -0.702 1.00 0.19 N ATOM 213 N3 DG A 7 -5.531 -2.198 1.501 1.00 0.16 N ATOM 214 C4 DG A 7 -5.015 -2.250 2.742 1.00 0.16 C ATOM 0 H5' DG A 7 -10.159 -1.761 7.087 1.00 0.27 H new ATOM 0 H5'' DG A 7 -8.451 -2.006 7.397 1.00 0.27 H new ATOM 0 H4' DG A 7 -9.812 -1.543 4.760 1.00 0.22 H new ATOM 0 H3' DG A 7 -9.318 -4.037 5.997 1.00 0.21 H new ATOM 0 H2' DG A 7 -6.922 -4.080 5.513 1.00 0.19 H new ATOM 0 H2'' DG A 7 -7.535 -4.694 3.990 1.00 0.19 H new ATOM 0 H1' DG A 7 -7.539 -2.561 2.965 1.00 0.18 H new ATOM 0 H8 DG A 7 -5.073 -2.499 5.922 1.00 0.19 H new ATOM 0 H1 DG A 7 -2.594 -1.878 0.090 1.00 0.16 H new ATOM 0 H21 DG A 7 -5.916 -2.070 -0.968 1.00 0.19 H new ATOM 0 H22 DG A 7 -4.215 -1.925 -1.421 1.00 0.19 H new ATOM 226 P DT A 8 -10.259 -5.356 3.668 1.00 0.31 P ATOM 227 OP1 DT A 8 -11.323 -5.344 2.639 1.00 0.45 O ATOM 228 OP2 DT A 8 -10.469 -6.082 4.941 1.00 0.38 O ATOM 229 O5' DT A 8 -8.902 -5.904 2.984 1.00 0.26 O ATOM 230 C5' DT A 8 -8.601 -5.611 1.612 1.00 0.27 C ATOM 231 C4' DT A 8 -7.167 -6.021 1.234 1.00 0.24 C ATOM 232 O4' DT A 8 -6.212 -5.234 1.937 1.00 0.22 O ATOM 233 C3' DT A 8 -6.799 -7.446 1.604 1.00 0.26 C ATOM 234 O3' DT A 8 -7.269 -8.393 0.619 1.00 0.29 O ATOM 235 C2' DT A 8 -5.269 -7.410 1.648 1.00 0.24 C ATOM 236 C1' DT A 8 -4.962 -5.922 1.818 1.00 0.22 C ATOM 237 N1 DT A 8 -4.112 -5.612 2.985 1.00 0.22 N ATOM 238 C2 DT A 8 -2.778 -5.364 2.724 1.00 0.27 C ATOM 239 O2 DT A 8 -2.321 -5.384 1.588 1.00 0.33 O ATOM 240 N3 DT A 8 -1.985 -5.100 3.816 1.00 0.31 N ATOM 241 C4 DT A 8 -2.397 -5.062 5.133 1.00 0.31 C ATOM 242 O4 DT A 8 -1.595 -4.814 6.027 1.00 0.38 O ATOM 243 C5 DT A 8 -3.807 -5.331 5.318 1.00 0.27 C ATOM 244 C7 DT A 8 -4.396 -5.323 6.728 1.00 0.34 C ATOM 245 C6 DT A 8 -4.608 -5.591 4.265 1.00 0.23 C ATOM 0 H5' DT A 8 -8.732 -4.544 1.433 1.00 0.27 H new ATOM 0 H5'' DT A 8 -9.309 -6.132 0.967 1.00 0.27 H new ATOM 0 H4' DT A 8 -7.147 -5.889 0.152 1.00 0.24 H new ATOM 0 H3' DT A 8 -7.251 -7.767 2.543 1.00 0.26 H new ATOM 0 H2' DT A 8 -4.876 -8.000 2.476 1.00 0.24 H new ATOM 0 H2'' DT A 8 -4.830 -7.810 0.734 1.00 0.24 H new ATOM 0 H1' DT A 8 -4.392 -5.599 0.947 1.00 0.22 H new ATOM 0 H3 DT A 8 -0.998 -4.915 3.636 1.00 0.31 H new ATOM 0 H71 DT A 8 -3.633 -5.630 7.443 1.00 0.34 H new ATOM 0 H72 DT A 8 -4.740 -4.318 6.973 1.00 0.34 H new ATOM 0 H73 DT A 8 -5.237 -6.015 6.775 1.00 0.34 H new ATOM 0 H6 DT A 8 -5.657 -5.786 4.431 1.00 0.23 H new ATOM 258 P DT A 9 -6.991 -8.249 -0.970 1.00 0.25 P ATOM 259 OP1 DT A 9 -7.053 -6.817 -1.334 1.00 0.28 O ATOM 260 OP2 DT A 9 -7.866 -9.216 -1.667 1.00 0.33 O ATOM 261 O5' DT A 9 -5.471 -8.757 -1.135 1.00 0.23 O ATOM 262 C5' DT A 9 -4.534 -8.047 -1.956 1.00 0.21 C ATOM 263 C4' DT A 9 -3.111 -8.530 -1.716 1.00 0.21 C ATOM 264 O4' DT A 9 -2.754 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DT A 10 -6.693 -4.504 -4.175 1.00 0.29 H new ATOM 0 H6 DT A 10 -3.238 -5.368 -4.838 1.00 0.22 H new ATOM 322 P DT A 11 3.159 -5.677 -3.545 1.00 0.25 P ATOM 323 OP1 DT A 11 3.947 -4.451 -3.803 1.00 0.37 O ATOM 324 OP2 DT A 11 3.682 -6.991 -3.978 1.00 0.31 O ATOM 325 O5' DT A 11 2.855 -5.755 -1.967 1.00 0.26 O ATOM 326 C5' DT A 11 2.311 -4.625 -1.281 1.00 0.22 C ATOM 327 C4' DT A 11 2.617 -4.666 0.230 1.00 0.23 C ATOM 328 O4' DT A 11 1.914 -5.767 0.821 1.00 0.26 O ATOM 329 C3' DT A 11 4.092 -4.836 0.630 1.00 0.23 C ATOM 330 O3' DT A 11 4.296 -4.211 1.912 1.00 0.27 O ATOM 331 C2' DT A 11 4.228 -6.343 0.762 1.00 0.25 C ATOM 332 C1' DT A 11 2.861 -6.737 1.305 1.00 0.26 C ATOM 333 N1 DT A 11 2.402 -8.058 0.852 1.00 0.28 N ATOM 334 C2 DT A 11 2.708 -9.161 1.633 1.00 0.38 C ATOM 335 O2 DT A 11 3.340 -9.073 2.684 1.00 0.44 O ATOM 336 N3 DT A 11 2.259 -10.379 1.154 1.00 0.42 N ATOM 337 C4 DT A 11 1.547 -10.581 -0.018 1.00 0.36 C ATOM 338 O4 DT A 11 1.206 -11.713 -0.353 1.00 0.44 O ATOM 339 C5 DT 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0.25 O ATOM 358 C5' DG A 12 7.524 -3.967 0.590 1.00 0.25 C ATOM 359 C4' DG A 12 7.957 -3.091 -0.579 1.00 0.21 C ATOM 360 O4' DG A 12 6.856 -2.920 -1.478 1.00 0.21 O ATOM 361 C3' DG A 12 8.445 -1.706 -0.156 1.00 0.20 C ATOM 362 O3' DG A 12 9.673 -1.373 -0.842 1.00 0.26 O ATOM 363 C2' DG A 12 7.314 -0.749 -0.581 1.00 0.18 C ATOM 364 C1' DG A 12 6.581 -1.527 -1.671 1.00 0.17 C ATOM 365 N9 DG A 12 5.106 -1.383 -1.667 1.00 0.15 N ATOM 366 C8 DG A 12 4.254 -1.318 -2.733 1.00 0.15 C ATOM 367 N7 DG A 12 2.994 -1.271 -2.438 1.00 0.16 N ATOM 368 C5 DG A 12 2.990 -1.307 -1.049 1.00 0.14 C ATOM 369 C6 DG A 12 1.895 -1.288 -0.150 1.00 0.16 C ATOM 370 O6 DG A 12 0.699 -1.243 -0.413 1.00 0.21 O ATOM 371 N1 DG A 12 2.316 -1.345 1.166 1.00 0.16 N ATOM 372 C2 DG A 12 3.627 -1.411 1.571 1.00 0.17 C ATOM 373 N2 DG A 12 3.833 -1.502 2.875 1.00 0.22 N ATOM 374 N3 DG A 12 4.666 -1.426 0.733 1.00 0.17 N ATOM 375 C4 DG A 12 4.277 -1.372 -0.561 1.00 0.14 C ATOM 0 H5' DG A 12 7.070 -4.883 0.213 1.00 0.25 H new ATOM 0 H5'' DG A 12 8.398 -4.260 1.171 1.00 0.25 H new ATOM 0 H4' DG A 12 8.793 -3.605 -1.053 1.00 0.21 H new ATOM 0 H3' DG A 12 8.657 -1.649 0.912 1.00 0.20 H new ATOM 0 H2' DG A 12 6.655 -0.510 0.254 1.00 0.18 H new ATOM 0 H2'' DG A 12 7.707 0.195 -0.957 1.00 0.18 H new ATOM 0 H1' DG A 12 6.940 -1.121 -2.617 1.00 0.17 H new ATOM 0 H8 DG A 12 4.608 -1.307 -3.753 1.00 0.15 H new ATOM 0 H1 DG A 12 1.599 -1.337 1.891 1.00 0.16 H new ATOM 0 H21 DG A 12 4.785 -1.554 3.239 1.00 0.22 H new ATOM 0 H22 DG A 12 3.040 -1.520 3.517 1.00 0.22 H new ATOM 387 P DG A 13 9.932 -1.686 -2.408 1.00 0.24 P ATOM 388 OP1 DG A 13 9.522 -3.081 -2.688 1.00 0.30 O ATOM 389 OP2 DG A 13 11.305 -1.246 -2.742 1.00 0.39 O ATOM 390 O5' DG A 13 8.903 -0.697 -3.153 1.00 0.29 O ATOM 391 C5' DG A 13 8.792 -0.694 -4.580 1.00 0.26 C ATOM 392 C4' DG A 13 8.154 0.598 -5.078 1.00 0.19 C ATOM 393 O4' DG A 13 6.855 0.725 -4.502 1.00 0.24 O ATOM 394 C3' DG A 13 8.955 1.851 -4.717 1.00 0.19 C ATOM 395 O3' DG A 13 9.309 2.543 -5.917 1.00 0.25 O ATOM 396 C2' DG A 13 7.987 2.724 -3.896 1.00 0.28 C ATOM 397 C1' DG A 13 6.625 2.087 -4.149 1.00 0.22 C ATOM 398 N9 DG A 13 5.742 2.082 -2.972 1.00 0.19 N ATOM 399 C8 DG A 13 6.078 2.103 -1.648 1.00 0.22 C ATOM 400 N7 DG A 13 5.079 2.050 -0.825 1.00 0.21 N ATOM 401 C5 DG A 13 3.974 1.990 -1.668 1.00 0.18 C ATOM 402 C6 DG A 13 2.596 1.916 -1.346 1.00 0.17 C ATOM 403 O6 DG A 13 2.076 1.885 -0.231 1.00 0.21 O ATOM 404 N1 DG A 13 1.809 1.874 -2.487 1.00 0.16 N ATOM 405 C2 DG A 13 2.286 1.898 -3.782 1.00 0.16 C ATOM 406 N2 DG A 13 1.372 1.835 -4.750 1.00 0.17 N ATOM 407 N3 DG A 13 3.584 1.968 -4.091 1.00 0.16 N ATOM 408 C4 DG A 13 4.369 2.011 -2.986 1.00 0.17 C ATOM 0 H5' DG A 13 8.194 -1.546 -4.903 1.00 0.26 H new ATOM 0 H5'' DG A 13 9.780 -0.810 -5.025 1.00 0.26 H new ATOM 0 H4' DG A 13 8.119 0.530 -6.165 1.00 0.19 H new ATOM 0 H3' DG A 13 9.868 1.617 -4.169 1.00 0.19 H new ATOM 0 H2' DG A 13 8.242 2.717 -2.836 1.00 0.28 H new ATOM 0 H2'' DG A 13 8.010 3.764 -4.223 1.00 0.28 H new ATOM 0 H1' DG A 13 6.133 2.672 -4.926 1.00 0.22 H new ATOM 0 H8 DG A 13 7.103 2.160 -1.312 1.00 0.22 H new ATOM 0 H1 DG A 13 0.798 1.821 -2.359 1.00 0.16 H new ATOM 0 H21 DG A 13 1.663 1.849 -5.728 1.00 0.17 H new ATOM 0 H22 DG A 13 0.382 1.773 -4.513 1.00 0.17 H new ATOM 420 P DT A 14 10.750 3.249 -6.050 1.00 0.36 P ATOM 421 OP1 DT A 14 10.829 3.882 -7.387 1.00 0.65 O ATOM 422 OP2 DT A 14 11.782 2.275 -5.633 1.00 0.60 O ATOM 423 O5' DT A 14 10.682 4.419 -4.941 1.00 0.41 O ATOM 424 C5' DT A 14 11.883 5.013 -4.424 1.00 0.38 C ATOM 425 C4' DT A 14 11.575 6.098 -3.391 1.00 0.30 C ATOM 426 O4' DT A 14 10.803 7.137 -4.003 1.00 0.35 O ATOM 427 C3' DT A 14 10.788 5.604 -2.190 1.00 0.25 C ATOM 428 O3' DT A 14 11.145 6.367 -1.031 1.00 0.31 O ATOM 429 C2' DT A 14 9.363 5.905 -2.579 1.00 0.26 C ATOM 430 C1' DT A 14 9.515 7.184 -3.385 1.00 0.31 C ATOM 431 N1 DT A 14 8.515 7.352 -4.457 1.00 0.37 N ATOM 432 C2 DT A 14 7.581 8.360 -4.304 1.00 0.49 C ATOM 433 O2 DT A 14 7.543 9.077 -3.309 1.00 0.58 O ATOM 434 N3 DT A 14 6.677 8.509 -5.335 1.00 0.59 N ATOM 435 C4 DT A 14 6.622 7.747 -6.487 1.00 0.62 C ATOM 436 O4 DT A 14 5.765 7.969 -7.340 1.00 0.78 O ATOM 437 C5 DT A 14 7.633 6.715 -6.560 1.00 0.57 C ATOM 438 C7 DT A 14 7.686 5.793 -7.777 1.00 0.73 C ATOM 439 C6 DT A 14 8.529 6.552 -5.567 1.00 0.44 C ATOM 0 H5' DT A 14 12.459 5.443 -5.244 1.00 0.38 H new ATOM 0 H5'' DT A 14 12.504 4.242 -3.968 1.00 0.38 H new ATOM 0 H4' DT A 14 12.545 6.448 -3.038 1.00 0.30 H new ATOM 0 H3' DT A 14 10.964 4.555 -1.952 1.00 0.25 H new ATOM 0 H2' DT A 14 8.923 5.101 -3.170 1.00 0.26 H new ATOM 0 H2'' DT A 14 8.724 6.046 -1.707 1.00 0.26 H new ATOM 0 H1' DT A 14 9.380 8.018 -2.696 1.00 0.31 H new ATOM 0 H3 DT A 14 5.984 9.251 -5.238 1.00 0.59 H new ATOM 0 H71 DT A 14 8.715 5.477 -7.949 1.00 0.73 H new ATOM 0 H72 DT A 14 7.063 4.917 -7.597 1.00 0.73 H new ATOM 0 H73 DT A 14 7.319 6.326 -8.654 1.00 0.73 H new ATOM 0 H6 DT A 14 9.274 5.774 -5.649 1.00 0.44 H new ATOM 452 P DT A 15 11.300 5.648 0.402 1.00 0.35 P ATOM 453 OP1 DT A 15 12.723 5.719 0.792 1.00 0.40 O ATOM 454 OP2 DT A 15 10.617 4.336 0.344 1.00 0.46 O ATOM 455 O5' DT A 15 10.462 6.618 1.383 1.00 0.50 O ATOM 456 C5' DT A 15 9.061 6.837 1.178 1.00 0.46 C ATOM 457 C4' DT A 15 8.205 6.004 2.133 1.00 0.50 C ATOM 458 O4' DT A 15 6.830 6.079 1.720 1.00 0.42 O ATOM 459 C3' DT A 15 8.564 4.517 2.169 1.00 0.53 C ATOM 460 O3' DT A 15 8.230 3.983 3.452 1.00 0.73 O ATOM 461 C2' DT A 15 7.632 3.934 1.130 1.00 0.43 C ATOM 462 C1' DT A 15 6.380 4.757 1.396 1.00 0.38 C ATOM 463 N1 DT A 15 5.435 4.861 0.263 1.00 0.27 N ATOM 464 C2 DT A 15 4.089 4.669 0.545 1.00 0.23 C ATOM 465 O2 DT A 15 3.710 4.318 1.654 1.00 0.27 O ATOM 466 N3 DT A 15 3.210 4.832 -0.516 1.00 0.21 N ATOM 467 C4 DT A 15 3.580 5.150 -1.811 1.00 0.22 C ATOM 468 O4 DT A 15 2.747 5.274 -2.680 1.00 0.27 O ATOM 469 C5 DT A 15 4.994 5.315 -2.014 1.00 0.23 C ATOM 470 C7 DT A 15 5.500 5.631 -3.417 1.00 0.25 C ATOM 471 C6 DT A 15 5.867 5.174 -0.999 1.00 0.26 C ATOM 0 H5' DT A 15 8.802 6.589 0.149 1.00 0.46 H new ATOM 0 H5'' DT A 15 8.835 7.894 1.317 1.00 0.46 H new ATOM 0 H4' DT A 15 8.386 6.422 3.123 1.00 0.50 H new ATOM 0 H3' DT A 15 9.619 4.310 1.987 1.00 0.53 H new ATOM 0 H2' DT A 15 8.007 4.065 0.115 1.00 0.43 H new ATOM 0 H2'' DT A 15 7.466 2.866 1.273 1.00 0.43 H new ATOM 0 H1' DT A 15 5.827 4.255 2.190 1.00 0.38 H new ATOM 0 H3 DT A 15 2.215 4.708 -0.327 1.00 0.21 H new ATOM 0 H71 DT A 15 4.830 5.189 -4.154 1.00 0.25 H new ATOM 0 H72 DT A 15 5.531 6.711 -3.558 1.00 0.25 H new ATOM 0 H73 DT A 15 6.501 5.219 -3.544 1.00 0.25 H new ATOM 0 H6 DT A 15 6.923 5.310 -1.182 1.00 0.26 H new ATOM 484 P DG A 16 9.348 3.341 4.419 1.00 0.37 P ATOM 485 OP1 DG A 16 10.584 4.146 4.298 1.00 0.61 O ATOM 486 OP2 DG A 16 9.385 1.881 4.184 1.00 1.03 O ATOM 487 O5' DG A 16 8.718 3.598 5.883 1.00 0.44 O ATOM 488 C5' DG A 16 7.294 3.653 6.056 1.00 0.40 C ATOM 489 C4' DG A 16 6.838 2.960 7.339 1.00 0.29 C ATOM 490 O4' DG A 16 5.403 2.969 7.393 1.00 0.30 O ATOM 491 C3' DG A 16 7.273 1.497 7.453 1.00 0.25 C ATOM 492 O3' DG A 16 7.468 1.175 8.842 1.00 0.23 O ATOM 493 C2' DG A 16 6.070 0.753 6.897 1.00 0.23 C ATOM 494 C1' DG A 16 4.933 1.615 7.417 1.00 0.21 C ATOM 495 N9 DG A 16 3.694 1.550 6.616 1.00 0.21 N ATOM 496 C8 DG A 16 2.406 1.412 7.048 1.00 0.21 C ATOM 497 N7 DG A 16 1.510 1.393 6.108 1.00 0.22 N ATOM 498 C5 DG A 16 2.264 1.532 4.943 1.00 0.21 C ATOM 499 C6 DG A 16 1.843 1.584 3.588 1.00 0.23 C ATOM 500 O6 DG A 16 0.705 1.503 3.146 1.00 0.26 O ATOM 501 N1 DG A 16 2.917 1.733 2.723 1.00 0.23 N ATOM 502 C2 DG A 16 4.239 1.813 3.113 1.00 0.24 C ATOM 503 N2 DG A 16 5.142 1.916 2.140 1.00 0.29 N ATOM 504 N3 DG A 16 4.638 1.767 4.386 1.00 0.23 N ATOM 505 C4 DG A 16 3.602 1.627 5.245 1.00 0.21 C ATOM 0 H5' DG A 16 6.808 3.184 5.200 1.00 0.40 H new ATOM 0 H5'' DG A 16 6.973 4.694 6.074 1.00 0.40 H new ATOM 0 H4' DG A 16 7.304 3.515 8.153 1.00 0.29 H new ATOM 0 H3' DG A 16 8.201 1.257 6.935 1.00 0.25 H new ATOM 0 H2' DG A 16 6.084 0.701 5.808 1.00 0.23 H new ATOM 0 H2'' DG A 16 6.012 -0.272 7.264 1.00 0.23 H new ATOM 0 H1' DG A 16 4.671 1.248 8.410 1.00 0.21 H new ATOM 0 H8 DG A 16 2.151 1.325 8.094 1.00 0.21 H new ATOM 0 H1 DG A 16 2.715 1.788 1.725 1.00 0.23 H new ATOM 0 H21 DG A 16 6.134 1.979 2.369 1.00 0.29 H new ATOM 0 H22 DG A 16 4.842 1.932 1.165 1.00 0.29 H new ATOM 517 P DG A 17 7.548 -0.354 9.354 1.00 0.24 P ATOM 518 OP1 DG A 17 8.188 -0.359 10.690 1.00 0.32 O ATOM 519 OP2 DG A 17 8.114 -1.182 8.265 1.00 0.34 O ATOM 520 O5' DG A 17 5.993 -0.751 9.536 1.00 0.28 O ATOM 521 C5' DG A 17 5.233 -0.220 10.629 1.00 0.30 C ATOM 522 C4' DG A 17 3.861 -0.881 10.751 1.00 0.33 C ATOM 523 O4' DG A 17 3.100 -0.633 9.561 1.00 0.29 O ATOM 524 C3' DG A 17 3.915 -2.401 10.956 1.00 0.38 C ATOM 525 O3' DG A 17 3.039 -2.810 12.014 1.00 0.49 O ATOM 526 C2' DG A 17 3.455 -2.955 9.615 1.00 0.33 C ATOM 527 C1' DG A 17 2.524 -1.861 9.124 1.00 0.26 C ATOM 528 N9 DG A 17 2.383 -1.797 7.658 1.00 0.22 N ATOM 529 C8 DG A 17 3.351 -1.662 6.710 1.00 0.23 C ATOM 530 N7 DG A 17 2.921 -1.623 5.486 1.00 0.22 N ATOM 531 C5 DG A 17 1.543 -1.743 5.627 1.00 0.18 C ATOM 532 C6 DG A 17 0.528 -1.764 4.634 1.00 0.17 C ATOM 533 O6 DG A 17 0.663 -1.669 3.419 1.00 0.22 O ATOM 534 N1 DG A 17 -0.737 -1.900 5.195 1.00 0.16 N ATOM 535 C2 DG A 17 -0.982 -2.001 6.555 1.00 0.16 C ATOM 536 N2 DG A 17 -2.251 -2.113 6.926 1.00 0.18 N ATOM 537 N3 DG A 17 -0.026 -1.981 7.486 1.00 0.18 N ATOM 538 C4 DG A 17 1.204 -1.850 6.954 1.00 0.19 C ATOM 0 H5' DG A 17 5.106 0.854 10.494 1.00 0.30 H new ATOM 0 H5'' DG A 17 5.787 -0.361 11.557 1.00 0.30 H new ATOM 0 H4' DG A 17 3.402 -0.442 11.637 1.00 0.33 H new ATOM 0 H3' DG A 17 4.904 -2.757 11.244 1.00 0.38 H new ATOM 0 H2' DG A 17 4.289 -3.117 8.933 1.00 0.33 H new ATOM 0 H2'' DG A 17 2.941 -3.910 9.723 1.00 0.33 H new ATOM 0 HO3' DG A 17 3.090 -3.782 12.124 1.00 0.49 H new ATOM 0 H1' DG A 17 1.527 -2.060 9.518 1.00 0.26 H new ATOM 0 H8 DG A 17 4.400 -1.592 6.958 1.00 0.23 H new ATOM 0 H1 DG A 17 -1.538 -1.927 4.564 1.00 0.16 H new ATOM 0 H21 DG A 17 -2.488 -2.191 7.915 1.00 0.18 H new ATOM 0 H22 DG A 17 -2.989 -2.121 6.222 1.00 0.18 H new TER 550 DG A 17