USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 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 DC O5' : rot 35:sc=0.000917 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.925 4.333 9.411 1.00 0.46 O ATOM 2 C5' DC A 1 -7.102 4.276 10.578 1.00 0.41 C ATOM 3 C4' DC A 1 -5.675 4.728 10.274 1.00 0.34 C ATOM 4 O4' DC A 1 -5.106 3.881 9.276 1.00 0.34 O ATOM 5 C3' DC A 1 -5.575 6.168 9.755 1.00 0.33 C ATOM 6 O3' DC A 1 -4.699 6.918 10.604 1.00 0.35 O ATOM 7 C2' DC A 1 -4.962 6.040 8.361 1.00 0.31 C ATOM 8 C1' DC A 1 -4.284 4.685 8.440 1.00 0.30 C ATOM 9 N1 DC A 1 -4.144 3.998 7.143 1.00 0.33 N ATOM 10 C2 DC A 1 -2.860 3.726 6.700 1.00 0.34 C ATOM 11 O2 DC A 1 -1.891 4.055 7.380 1.00 0.37 O ATOM 12 N3 DC A 1 -2.711 3.091 5.505 1.00 0.37 N ATOM 13 C4 DC A 1 -3.777 2.738 4.775 1.00 0.40 C ATOM 14 N4 DC A 1 -3.596 2.118 3.609 1.00 0.45 N ATOM 15 C5 DC A 1 -5.105 3.017 5.229 1.00 0.42 C ATOM 16 C6 DC A 1 -5.242 3.645 6.413 1.00 0.38 C ATOM 0 H5' DC A 1 -7.088 3.258 10.966 1.00 0.41 H new ATOM 0 H5'' DC A 1 -7.528 4.908 11.357 1.00 0.41 H new ATOM 0 H4' DC A 1 -5.142 4.672 11.223 1.00 0.34 H new ATOM 0 H3' DC A 1 -6.539 6.676 9.736 1.00 0.33 H new ATOM 0 H2' DC A 1 -5.719 6.073 7.577 1.00 0.31 H new ATOM 0 H2'' DC A 1 -4.252 6.840 8.152 1.00 0.31 H new ATOM 0 HO5' DC A 1 -7.391 4.104 8.622 1.00 0.46 H new ATOM 0 H1' DC A 1 -3.271 4.836 8.814 1.00 0.30 H new ATOM 0 H41 DC A 1 -4.402 1.845 3.046 1.00 0.45 H new ATOM 0 H42 DC A 1 -2.652 1.916 3.280 1.00 0.45 H new ATOM 0 H5 DC A 1 -5.967 2.734 4.643 1.00 0.42 H new ATOM 0 H6 DC A 1 -6.229 3.871 6.788 1.00 0.38 H new ATOM 29 P DG A 2 -4.369 8.461 10.281 1.00 0.41 P ATOM 30 OP1 DG A 2 -3.932 9.116 11.534 1.00 0.50 O ATOM 31 OP2 DG A 2 -5.500 9.025 9.510 1.00 0.45 O ATOM 32 O5' DG A 2 -3.097 8.351 9.301 1.00 0.42 O ATOM 33 C5' DG A 2 -1.820 7.953 9.807 1.00 0.45 C ATOM 34 C4' DG A 2 -0.762 7.943 8.706 1.00 0.46 C ATOM 35 O4' DG A 2 -1.147 7.026 7.681 1.00 0.39 O ATOM 36 C3' DG A 2 -0.547 9.306 8.035 1.00 0.51 C ATOM 37 O3' DG A 2 0.826 9.690 8.172 1.00 0.59 O ATOM 38 C2' DG A 2 -0.873 9.074 6.560 1.00 0.47 C ATOM 39 C1' DG A 2 -0.727 7.568 6.436 1.00 0.41 C ATOM 40 N9 DG A 2 -1.557 6.971 5.375 1.00 0.35 N ATOM 41 C8 DG A 2 -2.923 6.945 5.273 1.00 0.35 C ATOM 42 N7 DG A 2 -3.362 6.347 4.201 1.00 0.35 N ATOM 43 C5 DG A 2 -2.202 5.946 3.544 1.00 0.33 C ATOM 44 C6 DG A 2 -2.047 5.247 2.316 1.00 0.35 C ATOM 45 O6 DG A 2 -2.921 4.838 1.555 1.00 0.39 O ATOM 46 N1 DG A 2 -0.708 5.044 2.013 1.00 0.36 N ATOM 47 C2 DG A 2 0.352 5.460 2.791 1.00 0.36 C ATOM 48 N2 DG A 2 1.570 5.171 2.333 1.00 0.42 N ATOM 49 N3 DG A 2 0.208 6.116 3.946 1.00 0.36 N ATOM 50 C4 DG A 2 -1.092 6.324 4.257 1.00 0.33 C ATOM 0 H5' DG A 2 -1.896 6.960 10.250 1.00 0.45 H new ATOM 0 H5'' DG A 2 -1.514 8.633 10.602 1.00 0.45 H new ATOM 0 H4' DG A 2 0.168 7.657 9.197 1.00 0.46 H new ATOM 0 H3' DG A 2 -1.162 10.091 8.474 1.00 0.51 H new ATOM 0 H2' DG A 2 -1.879 9.408 6.307 1.00 0.47 H new ATOM 0 H2'' DG A 2 -0.186 9.606 5.902 1.00 0.47 H new ATOM 0 H1' DG A 2 0.308 7.345 6.178 1.00 0.41 H new ATOM 0 H8 DG A 2 -3.577 7.381 6.014 1.00 0.35 H new ATOM 0 H1 DG A 2 -0.491 4.549 1.148 1.00 0.36 H new ATOM 0 H21 DG A 2 2.394 5.452 2.864 1.00 0.42 H new ATOM 0 H22 DG A 2 1.678 4.669 1.452 1.00 0.42 H new ATOM 62 P DC A 3 1.379 11.028 7.467 1.00 0.67 P ATOM 63 OP1 DC A 3 2.451 11.592 8.318 1.00 0.82 O ATOM 64 OP2 DC A 3 0.218 11.867 7.094 1.00 0.71 O ATOM 65 O5' DC A 3 2.049 10.466 6.115 1.00 0.57 O ATOM 66 C5' DC A 3 3.220 9.647 6.172 1.00 0.55 C ATOM 67 C4' DC A 3 3.732 9.298 4.776 1.00 0.46 C ATOM 68 O4' DC A 3 2.691 8.671 4.031 1.00 0.43 O ATOM 69 C3' DC A 3 4.205 10.511 3.965 1.00 0.43 C ATOM 70 O3' DC A 3 5.586 10.346 3.620 1.00 0.42 O ATOM 71 C2' DC A 3 3.352 10.491 2.696 1.00 0.42 C ATOM 72 C1' DC A 3 2.833 9.063 2.673 1.00 0.40 C ATOM 73 N1 DC A 3 1.523 8.904 2.016 1.00 0.39 N ATOM 74 C2 DC A 3 1.499 8.267 0.785 1.00 0.37 C ATOM 75 O2 DC A 3 2.545 7.862 0.283 1.00 0.39 O ATOM 76 N3 DC A 3 0.299 8.109 0.164 1.00 0.38 N ATOM 77 C4 DC A 3 -0.832 8.557 0.725 1.00 0.40 C ATOM 78 N4 DC A 3 -1.989 8.386 0.087 1.00 0.42 N ATOM 79 C5 DC A 3 -0.812 9.215 1.996 1.00 0.44 C ATOM 80 C6 DC A 3 0.382 9.367 2.603 1.00 0.43 C ATOM 0 H5' DC A 3 2.997 8.730 6.718 1.00 0.55 H new ATOM 0 H5'' DC A 3 4.001 10.166 6.727 1.00 0.55 H new ATOM 0 H4' DC A 3 4.589 8.642 4.931 1.00 0.46 H new ATOM 0 H3' DC A 3 4.106 11.446 4.516 1.00 0.43 H new ATOM 0 H2' DC A 3 2.540 11.217 2.741 1.00 0.42 H new ATOM 0 H2'' DC A 3 3.940 10.724 1.808 1.00 0.42 H new ATOM 0 H1' DC A 3 3.537 8.458 2.101 1.00 0.40 H new ATOM 0 H41 DC A 3 -2.856 8.723 0.505 1.00 0.42 H new ATOM 0 H42 DC A 3 -2.007 7.918 -0.819 1.00 0.42 H new ATOM 0 H5 DC A 3 -1.721 9.577 2.453 1.00 0.44 H new ATOM 0 H6 DC A 3 0.436 9.860 3.563 1.00 0.43 H new ATOM 92 P DG A 4 6.383 11.517 2.850 1.00 0.43 P ATOM 93 OP1 DG A 4 7.818 11.406 3.191 1.00 0.48 O ATOM 94 OP2 DG A 4 5.669 12.792 3.083 1.00 0.50 O ATOM 95 O5' DG A 4 6.201 11.115 1.301 1.00 0.35 O ATOM 96 C5' DG A 4 7.037 10.119 0.702 1.00 0.32 C ATOM 97 C4' DG A 4 6.727 9.946 -0.782 1.00 0.28 C ATOM 98 O4' DG A 4 5.361 9.551 -0.947 1.00 0.26 O ATOM 99 C3' DG A 4 6.935 11.220 -1.608 1.00 0.30 C ATOM 100 O3' DG A 4 7.745 10.922 -2.750 1.00 0.37 O ATOM 101 C2' DG A 4 5.533 11.617 -2.057 1.00 0.30 C ATOM 102 C1' DG A 4 4.814 10.282 -2.041 1.00 0.26 C ATOM 103 N9 DG A 4 3.357 10.383 -1.837 1.00 0.25 N ATOM 104 C8 DG A 4 2.680 10.933 -0.781 1.00 0.27 C ATOM 105 N7 DG A 4 1.383 10.864 -0.888 1.00 0.29 N ATOM 106 C5 DG A 4 1.182 10.221 -2.106 1.00 0.26 C ATOM 107 C6 DG A 4 -0.030 9.868 -2.758 1.00 0.28 C ATOM 108 O6 DG A 4 -1.183 10.056 -2.378 1.00 0.33 O ATOM 109 N1 DG A 4 0.210 9.236 -3.969 1.00 0.28 N ATOM 110 C2 DG A 4 1.459 8.973 -4.491 1.00 0.29 C ATOM 111 N2 DG A 4 1.489 8.356 -5.673 1.00 0.35 N ATOM 112 N3 DG A 4 2.602 9.304 -3.878 1.00 0.27 N ATOM 113 C4 DG A 4 2.386 9.923 -2.694 1.00 0.25 C ATOM 0 H5' DG A 4 6.898 9.168 1.217 1.00 0.32 H new ATOM 0 H5'' DG A 4 8.083 10.398 0.826 1.00 0.32 H new ATOM 0 H4' DG A 4 7.424 9.189 -1.142 1.00 0.28 H new ATOM 0 H3' DG A 4 7.432 12.011 -1.046 1.00 0.30 H new ATOM 0 H2' DG A 4 5.075 12.337 -1.379 1.00 0.30 H new ATOM 0 H2'' DG A 4 5.534 12.069 -3.049 1.00 0.30 H new ATOM 0 H1' DG A 4 4.955 9.809 -3.013 1.00 0.26 H new ATOM 0 H8 DG A 4 3.177 11.384 0.065 1.00 0.27 H new ATOM 0 H1 DG A 4 -0.600 8.943 -4.516 1.00 0.28 H new ATOM 0 H21 DG A 4 2.384 8.135 -6.110 1.00 0.35 H new ATOM 0 H22 DG A 4 0.617 8.106 -6.140 1.00 0.35 H new ATOM 125 P DA A 5 8.056 12.058 -3.849 1.00 0.42 P ATOM 126 OP1 DA A 5 9.420 11.833 -4.377 1.00 0.55 O ATOM 127 OP2 DA A 5 7.698 13.371 -3.269 1.00 0.49 O ATOM 128 O5' DA A 5 7.002 11.719 -5.016 1.00 0.37 O ATOM 129 C5' DA A 5 7.219 10.608 -5.891 1.00 0.35 C ATOM 130 C4' DA A 5 6.207 10.591 -7.034 1.00 0.32 C ATOM 131 O4' DA A 5 4.885 10.458 -6.501 1.00 0.32 O ATOM 132 C3' DA A 5 6.228 11.859 -7.893 1.00 0.30 C ATOM 133 O3' DA A 5 6.235 11.500 -9.279 1.00 0.32 O ATOM 134 C2' DA A 5 4.925 12.568 -7.551 1.00 0.28 C ATOM 135 C1' DA A 5 4.039 11.402 -7.152 1.00 0.27 C ATOM 136 N9 DA A 5 2.958 11.759 -6.216 1.00 0.27 N ATOM 137 C8 DA A 5 3.041 12.439 -5.028 1.00 0.28 C ATOM 138 N7 DA A 5 1.894 12.598 -4.429 1.00 0.28 N ATOM 139 C5 DA A 5 0.986 11.979 -5.281 1.00 0.26 C ATOM 140 C6 DA A 5 -0.405 11.801 -5.216 1.00 0.27 C ATOM 141 N6 DA A 5 -1.151 12.253 -4.208 1.00 0.28 N ATOM 142 N1 DA A 5 -0.990 11.140 -6.230 1.00 0.27 N ATOM 143 C2 DA A 5 -0.240 10.694 -7.230 1.00 0.28 C ATOM 144 N3 DA A 5 1.069 10.799 -7.405 1.00 0.27 N ATOM 145 C4 DA A 5 1.626 11.464 -6.372 1.00 0.26 C ATOM 0 H5' DA A 5 7.147 9.679 -5.326 1.00 0.35 H new ATOM 0 H5'' DA A 5 8.229 10.656 -6.298 1.00 0.35 H new ATOM 0 H4' DA A 5 6.486 9.748 -7.667 1.00 0.32 H new ATOM 0 H3' DA A 5 7.104 12.480 -7.708 1.00 0.30 H new ATOM 0 H2' DA A 5 5.049 13.285 -6.739 1.00 0.28 H new ATOM 0 H2'' DA A 5 4.522 13.117 -8.402 1.00 0.28 H new ATOM 0 H1' DA A 5 3.556 11.024 -8.053 1.00 0.27 H new ATOM 0 H8 DA A 5 3.972 12.809 -4.625 1.00 0.28 H new ATOM 0 H61 DA A 5 -2.159 12.097 -4.209 1.00 0.28 H new ATOM 0 H62 DA A 5 -0.714 12.755 -3.435 1.00 0.28 H new ATOM 0 H2 DA A 5 -0.772 10.172 -8.011 1.00 0.28 H new ATOM 157 P DA A 6 6.330 12.638 -10.415 1.00 0.33 P ATOM 158 OP1 DA A 6 6.947 12.041 -11.621 1.00 0.42 O ATOM 159 OP2 DA A 6 6.924 13.849 -9.805 1.00 0.37 O ATOM 160 O5' DA A 6 4.783 12.945 -10.740 1.00 0.27 O ATOM 161 C5' DA A 6 4.047 12.098 -11.628 1.00 0.31 C ATOM 162 C4' DA A 6 2.657 12.657 -11.917 1.00 0.30 C ATOM 163 O4' DA A 6 1.899 12.726 -10.701 1.00 0.30 O ATOM 164 C3' DA A 6 2.663 14.069 -12.520 1.00 0.28 C ATOM 165 O3' DA A 6 1.745 14.123 -13.620 1.00 0.35 O ATOM 166 C2' DA A 6 2.156 14.949 -11.387 1.00 0.27 C ATOM 167 C1' DA A 6 1.226 13.980 -10.688 1.00 0.27 C ATOM 168 N9 DA A 6 0.910 14.331 -9.293 1.00 0.28 N ATOM 169 C8 DA A 6 1.759 14.666 -8.269 1.00 0.35 C ATOM 170 N7 DA A 6 1.149 14.963 -7.154 1.00 0.38 N ATOM 171 C5 DA A 6 -0.200 14.812 -7.463 1.00 0.33 C ATOM 172 C6 DA A 6 -1.374 14.980 -6.710 1.00 0.35 C ATOM 173 N6 DA A 6 -1.374 15.359 -5.433 1.00 0.42 N ATOM 174 N1 DA A 6 -2.544 14.743 -7.331 1.00 0.35 N ATOM 175 C2 DA A 6 -2.536 14.370 -8.606 1.00 0.35 C ATOM 176 N3 DA A 6 -1.506 14.182 -9.413 1.00 0.32 N ATOM 177 C4 DA A 6 -0.351 14.425 -8.763 1.00 0.29 C ATOM 0 H5' DA A 6 3.956 11.104 -11.191 1.00 0.31 H new ATOM 0 H5'' DA A 6 4.596 11.986 -12.563 1.00 0.31 H new ATOM 0 H4' DA A 6 2.219 11.976 -12.647 1.00 0.30 H new ATOM 0 H3' DA A 6 3.642 14.373 -12.891 1.00 0.28 H new ATOM 0 H2' DA A 6 2.960 15.295 -10.738 1.00 0.27 H new ATOM 0 H2'' DA A 6 1.636 15.835 -11.750 1.00 0.27 H new ATOM 0 H1' DA A 6 0.269 13.983 -11.210 1.00 0.27 H new ATOM 0 H8 DA A 6 2.834 14.682 -8.376 1.00 0.35 H new ATOM 0 H61 DA A 6 -2.256 15.466 -4.933 1.00 0.42 H new ATOM 0 H62 DA A 6 -0.492 15.542 -4.955 1.00 0.42 H new ATOM 0 H2 DA A 6 -3.507 14.196 -9.045 1.00 0.35 H new ATOM 189 P DG A 7 1.601 15.459 -14.512 1.00 0.41 P ATOM 190 OP1 DG A 7 0.848 15.114 -15.739 1.00 0.54 O ATOM 191 OP2 DG A 7 2.934 16.089 -14.620 1.00 0.44 O ATOM 192 O5' DG A 7 0.669 16.406 -13.600 1.00 0.35 O ATOM 193 C5' DG A 7 -0.740 16.172 -13.496 1.00 0.38 C ATOM 194 C4' DG A 7 -1.423 17.225 -12.626 1.00 0.35 C ATOM 195 O4' DG A 7 -0.748 17.315 -11.364 1.00 0.28 O ATOM 196 C3' DG A 7 -1.419 18.631 -13.235 1.00 0.44 C ATOM 197 O3' DG A 7 -2.655 19.293 -12.934 1.00 0.48 O ATOM 198 C2' DG A 7 -0.282 19.328 -12.509 1.00 0.44 C ATOM 199 C1' DG A 7 -0.376 18.678 -11.140 1.00 0.34 C ATOM 200 N9 DG A 7 0.884 18.683 -10.372 1.00 0.41 N ATOM 201 C8 DG A 7 2.167 18.512 -10.822 1.00 0.55 C ATOM 202 N7 DG A 7 3.070 18.573 -9.883 1.00 0.63 N ATOM 203 C5 DG A 7 2.333 18.799 -8.725 1.00 0.58 C ATOM 204 C6 DG A 7 2.774 18.956 -7.382 1.00 0.71 C ATOM 205 O6 DG A 7 3.923 18.924 -6.948 1.00 0.86 O ATOM 206 N1 DG A 7 1.708 19.169 -6.518 1.00 0.72 N ATOM 207 C2 DG A 7 0.383 19.224 -6.896 1.00 0.61 C ATOM 208 N2 DG A 7 -0.501 19.437 -5.921 1.00 0.72 N ATOM 209 N3 DG A 7 -0.033 19.078 -8.158 1.00 0.45 N ATOM 210 C4 DG A 7 0.994 18.869 -9.014 1.00 0.44 C ATOM 0 H5' DG A 7 -0.915 15.182 -13.074 1.00 0.38 H new ATOM 0 H5'' DG A 7 -1.185 16.178 -14.491 1.00 0.38 H new ATOM 0 H4' DG A 7 -2.458 16.898 -12.528 1.00 0.35 H new ATOM 0 H3' DG A 7 -1.303 18.628 -14.319 1.00 0.44 H new ATOM 0 H2' DG A 7 0.682 19.151 -12.985 1.00 0.44 H new ATOM 0 H2'' DG A 7 -0.421 20.408 -12.464 1.00 0.44 H new ATOM 0 H1' DG A 7 -1.094 19.249 -10.551 1.00 0.34 H new ATOM 0 H8 DG A 7 2.409 18.342 -11.861 1.00 0.55 H new ATOM 0 H1 DG A 7 1.921 19.294 -5.528 1.00 0.72 H new ATOM 0 H21 DG A 7 -1.496 19.488 -6.137 1.00 0.72 H new ATOM 0 H22 DG A 7 -0.182 19.549 -4.959 1.00 0.72 H new ATOM 222 P DC A 8 -4.066 18.630 -13.334 1.00 0.54 P ATOM 223 OP1 DC A 8 -3.868 17.172 -13.486 1.00 0.59 O ATOM 224 OP2 DC A 8 -4.649 19.416 -14.445 1.00 0.68 O ATOM 225 O5' DC A 8 -4.957 18.883 -12.015 1.00 0.46 O ATOM 226 C5' DC A 8 -5.506 20.177 -11.744 1.00 0.46 C ATOM 227 C4' DC A 8 -5.405 20.529 -10.261 1.00 0.36 C ATOM 228 O4' DC A 8 -4.035 20.543 -9.862 1.00 0.35 O ATOM 229 C3' DC A 8 -5.990 21.903 -9.898 1.00 0.41 C ATOM 230 O3' DC A 8 -7.088 21.729 -8.991 1.00 0.40 O ATOM 231 C2' DC A 8 -4.850 22.643 -9.191 1.00 0.46 C ATOM 232 C1' DC A 8 -3.903 21.510 -8.829 1.00 0.40 C ATOM 233 N1 DC A 8 -2.480 21.900 -8.746 1.00 0.49 N ATOM 234 C2 DC A 8 -1.811 21.614 -7.567 1.00 0.58 C ATOM 235 O2 DC A 8 -2.403 21.061 -6.643 1.00 0.64 O ATOM 236 N3 DC A 8 -0.498 21.961 -7.469 1.00 0.69 N ATOM 237 C4 DC A 8 0.132 22.563 -8.485 1.00 0.72 C ATOM 238 N4 DC A 8 1.418 22.889 -8.356 1.00 0.85 N ATOM 239 C5 DC A 8 -0.554 22.860 -9.705 1.00 0.67 C ATOM 240 C6 DC A 8 -1.852 22.513 -9.793 1.00 0.56 C ATOM 0 H5' DC A 8 -6.550 20.203 -12.055 1.00 0.46 H new ATOM 0 H5'' DC A 8 -4.980 20.927 -12.334 1.00 0.46 H new ATOM 0 H4' DC A 8 -5.987 19.765 -9.745 1.00 0.36 H new ATOM 0 H3' DC A 8 -6.356 22.445 -10.770 1.00 0.41 H new ATOM 0 H2' DC A 8 -4.376 23.377 -9.843 1.00 0.46 H new ATOM 0 H2'' DC A 8 -5.199 23.179 -8.308 1.00 0.46 H new ATOM 0 H1' DC A 8 -4.173 21.151 -7.836 1.00 0.40 H new ATOM 0 H41 DC A 8 1.907 23.348 -9.124 1.00 0.85 H new ATOM 0 H42 DC A 8 1.913 22.679 -7.489 1.00 0.85 H new ATOM 0 H5 DC A 8 -0.048 23.346 -10.527 1.00 0.67 H new ATOM 0 H6 DC A 8 -2.401 22.721 -10.699 1.00 0.56 H new ATOM 252 P DA A 9 -7.900 23.006 -8.432 1.00 0.45 P ATOM 253 OP1 DA A 9 -8.626 23.622 -9.565 1.00 0.54 O ATOM 254 OP2 DA A 9 -6.974 23.825 -7.619 1.00 0.57 O ATOM 255 O5' DA A 9 -8.984 22.340 -7.441 1.00 0.45 O ATOM 256 C5' DA A 9 -10.248 21.891 -7.940 1.00 0.47 C ATOM 257 C4' DA A 9 -10.383 20.373 -7.845 1.00 0.41 C ATOM 258 O4' DA A 9 -9.204 19.760 -8.367 1.00 0.36 O ATOM 259 C3' DA A 9 -10.574 19.847 -6.415 1.00 0.42 C ATOM 260 O3' DA A 9 -11.776 19.067 -6.355 1.00 0.51 O ATOM 261 C2' DA A 9 -9.358 18.956 -6.164 1.00 0.36 C ATOM 262 C1' DA A 9 -8.929 18.609 -7.581 1.00 0.31 C ATOM 263 N9 DA A 9 -7.494 18.281 -7.744 1.00 0.30 N ATOM 264 C8 DA A 9 -6.421 18.631 -6.959 1.00 0.36 C ATOM 265 N7 DA A 9 -5.278 18.180 -7.396 1.00 0.43 N ATOM 266 C5 DA A 9 -5.614 17.481 -8.550 1.00 0.43 C ATOM 267 C6 DA A 9 -4.846 16.764 -9.483 1.00 0.55 C ATOM 268 N6 DA A 9 -3.523 16.631 -9.391 1.00 0.65 N ATOM 269 N1 DA A 9 -5.498 16.194 -10.510 1.00 0.62 N ATOM 270 C2 DA A 9 -6.816 16.330 -10.596 1.00 0.58 C ATOM 271 N3 DA A 9 -7.643 16.975 -9.789 1.00 0.47 N ATOM 272 C4 DA A 9 -6.961 17.536 -8.768 1.00 0.38 C ATOM 0 H5' DA A 9 -10.361 22.203 -8.978 1.00 0.47 H new ATOM 0 H5'' DA A 9 -11.051 22.364 -7.376 1.00 0.47 H new ATOM 0 H4' DA A 9 -11.277 20.121 -8.415 1.00 0.41 H new ATOM 0 H3' DA A 9 -10.657 20.645 -5.677 1.00 0.42 H new ATOM 0 H2' DA A 9 -8.574 19.479 -5.616 1.00 0.36 H new ATOM 0 H2'' DA A 9 -9.614 18.068 -5.585 1.00 0.36 H new ATOM 0 H1' DA A 9 -9.471 17.711 -7.876 1.00 0.31 H new ATOM 0 H8 DA A 9 -6.516 19.225 -6.062 1.00 0.36 H new ATOM 0 H61 DA A 9 -3.014 16.099 -10.097 1.00 0.65 H new ATOM 0 H62 DA A 9 -3.020 17.061 -8.615 1.00 0.65 H new ATOM 0 H2 DA A 9 -7.278 15.846 -11.444 1.00 0.58 H new ATOM 284 P DT A 10 -12.033 18.015 -5.159 1.00 0.57 P ATOM 285 OP1 DT A 10 -13.491 17.918 -4.927 1.00 0.74 O ATOM 286 OP2 DT A 10 -11.127 18.352 -4.037 1.00 0.60 O ATOM 287 O5' DT A 10 -11.537 16.627 -5.805 1.00 0.48 O ATOM 288 C5' DT A 10 -12.104 16.158 -7.032 1.00 0.50 C ATOM 289 C4' DT A 10 -11.204 15.126 -7.701 1.00 0.37 C ATOM 290 O4' DT A 10 -9.856 15.588 -7.667 1.00 0.28 O ATOM 291 C3' DT A 10 -11.232 13.750 -7.029 1.00 0.32 C ATOM 292 O3' DT A 10 -11.720 12.782 -7.963 1.00 0.32 O ATOM 293 C2' DT A 10 -9.775 13.442 -6.679 1.00 0.30 C ATOM 294 C1' DT A 10 -9.000 14.466 -7.496 1.00 0.25 C ATOM 295 N1 DT A 10 -7.767 14.942 -6.842 1.00 0.20 N ATOM 296 C2 DT A 10 -6.571 14.730 -7.500 1.00 0.25 C ATOM 297 O2 DT A 10 -6.516 14.174 -8.594 1.00 0.32 O ATOM 298 N3 DT A 10 -5.436 15.185 -6.855 1.00 0.28 N ATOM 299 C4 DT A 10 -5.396 15.824 -5.627 1.00 0.30 C ATOM 300 O4 DT A 10 -4.325 16.186 -5.143 1.00 0.39 O ATOM 301 C5 DT A 10 -6.693 16.003 -5.016 1.00 0.28 C ATOM 302 C7 DT A 10 -6.796 16.698 -3.664 1.00 0.38 C ATOM 303 C6 DT A 10 -7.814 15.567 -5.625 1.00 0.23 C ATOM 0 H5' DT A 10 -12.260 16.999 -7.707 1.00 0.50 H new ATOM 0 H5'' DT A 10 -13.083 15.719 -6.838 1.00 0.50 H new ATOM 0 H4' DT A 10 -11.583 15.010 -8.716 1.00 0.37 H new ATOM 0 H3' DT A 10 -11.874 13.729 -6.149 1.00 0.32 H new ATOM 0 H2' DT A 10 -9.585 13.551 -5.611 1.00 0.30 H new ATOM 0 H2'' DT A 10 -9.503 12.422 -6.949 1.00 0.30 H new ATOM 0 H1' DT A 10 -8.701 13.989 -8.430 1.00 0.25 H new ATOM 0 H3 DT A 10 -4.545 15.036 -7.328 1.00 0.28 H new ATOM 0 H71 DT A 10 -7.753 17.214 -3.592 1.00 0.38 H new ATOM 0 H72 DT A 10 -6.723 15.957 -2.868 1.00 0.38 H new ATOM 0 H73 DT A 10 -5.986 17.420 -3.564 1.00 0.38 H new ATOM 0 H6 DT A 10 -8.769 15.714 -5.143 1.00 0.23 H new ATOM 316 P DT A 11 -11.610 11.208 -7.645 1.00 0.31 P ATOM 317 OP1 DT A 11 -12.684 10.509 -8.383 1.00 0.40 O ATOM 318 OP2 DT A 11 -11.492 11.040 -6.178 1.00 0.37 O ATOM 319 O5' DT A 11 -10.200 10.814 -8.312 1.00 0.28 O ATOM 320 C5' DT A 11 -10.011 10.926 -9.725 1.00 0.29 C ATOM 321 C4' DT A 11 -8.670 10.344 -10.160 1.00 0.25 C ATOM 322 O4' DT A 11 -7.609 11.036 -9.495 1.00 0.26 O ATOM 323 C3' DT A 11 -8.510 8.853 -9.843 1.00 0.24 C ATOM 324 O3' DT A 11 -8.111 8.154 -11.027 1.00 0.27 O ATOM 325 C2' DT A 11 -7.391 8.797 -8.808 1.00 0.23 C ATOM 326 C1' DT A 11 -6.633 10.080 -9.099 1.00 0.22 C ATOM 327 N1 DT A 11 -5.907 10.630 -7.939 1.00 0.20 N ATOM 328 C2 DT A 11 -4.529 10.705 -8.026 1.00 0.22 C ATOM 329 O2 DT A 11 -3.915 10.326 -9.022 1.00 0.25 O ATOM 330 N3 DT A 11 -3.881 11.230 -6.924 1.00 0.23 N ATOM 331 C4 DT A 11 -4.483 11.679 -5.761 1.00 0.23 C ATOM 332 O4 DT A 11 -3.808 12.130 -4.839 1.00 0.27 O ATOM 333 C5 DT A 11 -5.922 11.561 -5.762 1.00 0.22 C ATOM 334 C7 DT A 11 -6.713 12.020 -4.541 1.00 0.26 C ATOM 335 C6 DT A 11 -6.578 11.052 -6.824 1.00 0.21 C ATOM 0 H5' DT A 11 -10.065 11.974 -10.018 1.00 0.29 H new ATOM 0 H5'' DT A 11 -10.818 10.408 -10.243 1.00 0.29 H new ATOM 0 H4' DT A 11 -8.632 10.466 -11.243 1.00 0.25 H new ATOM 0 H3' DT A 11 -9.432 8.398 -9.482 1.00 0.24 H new ATOM 0 H2' DT A 11 -7.778 8.773 -7.789 1.00 0.23 H new ATOM 0 H2'' DT A 11 -6.763 7.914 -8.932 1.00 0.23 H new ATOM 0 H1' DT A 11 -5.881 9.863 -9.858 1.00 0.22 H new ATOM 0 H3 DT A 11 -2.864 11.293 -6.972 1.00 0.23 H new ATOM 0 H71 DT A 11 -7.698 12.366 -4.854 1.00 0.26 H new ATOM 0 H72 DT A 11 -6.825 11.188 -3.846 1.00 0.26 H new ATOM 0 H73 DT A 11 -6.182 12.835 -4.049 1.00 0.26 H new ATOM 0 H6 DT A 11 -7.655 10.976 -6.794 1.00 0.21 H new ATOM 348 P DC A 12 -7.785 6.579 -10.977 1.00 0.32 P ATOM 349 OP1 DC A 12 -8.002 6.016 -12.329 1.00 0.42 O ATOM 350 OP2 DC A 12 -8.492 5.998 -9.814 1.00 0.36 O ATOM 351 O5' DC A 12 -6.205 6.556 -10.669 1.00 0.31 O ATOM 352 C5' DC A 12 -5.265 6.950 -11.671 1.00 0.33 C ATOM 353 C4' DC A 12 -3.827 6.791 -11.185 1.00 0.31 C ATOM 354 O4' DC A 12 -3.610 7.627 -10.045 1.00 0.29 O ATOM 355 C3' DC A 12 -3.469 5.358 -10.772 1.00 0.32 C ATOM 356 O3' DC A 12 -2.273 4.951 -11.449 1.00 0.36 O ATOM 357 C2' DC A 12 -3.211 5.448 -9.271 1.00 0.30 C ATOM 358 C1' DC A 12 -2.810 6.902 -9.120 1.00 0.27 C ATOM 359 N1 DC A 12 -3.044 7.465 -7.775 1.00 0.25 N ATOM 360 C2 DC A 12 -1.942 7.937 -7.081 1.00 0.25 C ATOM 361 O2 DC A 12 -0.822 7.870 -7.585 1.00 0.29 O ATOM 362 N3 DC A 12 -2.137 8.469 -5.843 1.00 0.24 N ATOM 363 C4 DC A 12 -3.363 8.532 -5.308 1.00 0.23 C ATOM 364 N4 DC A 12 -3.519 9.058 -4.093 1.00 0.27 N ATOM 365 C5 DC A 12 -4.504 8.044 -6.021 1.00 0.25 C ATOM 366 C6 DC A 12 -4.299 7.521 -7.245 1.00 0.25 C ATOM 0 H5' DC A 12 -5.443 7.989 -11.949 1.00 0.33 H new ATOM 0 H5'' DC A 12 -5.415 6.349 -12.568 1.00 0.33 H new ATOM 0 H4' DC A 12 -3.197 7.069 -12.030 1.00 0.31 H new ATOM 0 H3' DC A 12 -4.250 4.639 -11.018 1.00 0.32 H new ATOM 0 H2' DC A 12 -4.098 5.204 -8.687 1.00 0.30 H new ATOM 0 H2'' DC A 12 -2.421 4.769 -8.949 1.00 0.30 H new ATOM 0 H1' DC A 12 -1.737 6.976 -9.295 1.00 0.27 H new ATOM 0 H41 DC A 12 -4.448 9.111 -3.676 1.00 0.27 H new ATOM 0 H42 DC A 12 -2.709 9.407 -3.581 1.00 0.27 H new ATOM 0 H5 DC A 12 -5.494 8.093 -5.593 1.00 0.25 H new ATOM 0 H6 DC A 12 -5.137 7.142 -7.812 1.00 0.25 H new ATOM 378 P DG A 13 -1.704 3.454 -11.276 1.00 0.41 P ATOM 379 OP1 DG A 13 -0.927 3.108 -12.487 1.00 0.50 O ATOM 380 OP2 DG A 13 -2.819 2.584 -10.842 1.00 0.45 O ATOM 381 O5' DG A 13 -0.677 3.606 -10.045 1.00 0.35 O ATOM 382 C5' DG A 13 0.687 3.976 -10.275 1.00 0.35 C ATOM 383 C4' DG A 13 1.483 4.021 -8.974 1.00 0.30 C ATOM 384 O4' DG A 13 0.888 4.961 -8.074 1.00 0.28 O ATOM 385 C3' DG A 13 1.548 2.674 -8.245 1.00 0.30 C ATOM 386 O3' DG A 13 2.913 2.352 -7.958 1.00 0.32 O ATOM 387 C2' DG A 13 0.786 2.905 -6.944 1.00 0.28 C ATOM 388 C1' DG A 13 0.935 4.403 -6.763 1.00 0.25 C ATOM 389 N9 DG A 13 -0.138 5.022 -5.963 1.00 0.23 N ATOM 390 C8 DG A 13 -1.484 5.056 -6.215 1.00 0.25 C ATOM 391 N7 DG A 13 -2.180 5.673 -5.303 1.00 0.25 N ATOM 392 C5 DG A 13 -1.228 6.079 -4.374 1.00 0.22 C ATOM 393 C6 DG A 13 -1.393 6.798 -3.159 1.00 0.23 C ATOM 394 O6 DG A 13 -2.432 7.222 -2.659 1.00 0.27 O ATOM 395 N1 DG A 13 -0.178 7.002 -2.520 1.00 0.23 N ATOM 396 C2 DG A 13 1.046 6.570 -2.989 1.00 0.23 C ATOM 397 N2 DG A 13 2.105 6.860 -2.234 1.00 0.26 N ATOM 398 N3 DG A 13 1.202 5.894 -4.132 1.00 0.22 N ATOM 399 C4 DG A 13 0.026 5.686 -4.769 1.00 0.21 C ATOM 0 H5' DG A 13 0.723 4.952 -10.759 1.00 0.35 H new ATOM 0 H5'' DG A 13 1.147 3.264 -10.960 1.00 0.35 H new ATOM 0 H4' DG A 13 2.496 4.305 -9.259 1.00 0.30 H new ATOM 0 H3' DG A 13 1.130 1.856 -8.832 1.00 0.30 H new ATOM 0 H2' DG A 13 -0.259 2.604 -7.022 1.00 0.28 H new ATOM 0 H2'' DG A 13 1.217 2.347 -6.113 1.00 0.28 H new ATOM 0 H1' DG A 13 1.864 4.594 -6.226 1.00 0.25 H new ATOM 0 H8 DG A 13 -1.929 4.611 -7.092 1.00 0.25 H new ATOM 0 H1 DG A 13 -0.191 7.510 -1.636 1.00 0.23 H new ATOM 0 H21 DG A 13 3.037 6.567 -2.528 1.00 0.26 H new ATOM 0 H22 DG A 13 1.984 7.375 -1.362 1.00 0.26 H new ATOM 411 P DC A 14 3.287 0.986 -7.194 1.00 0.31 P ATOM 412 OP1 DC A 14 4.551 0.467 -7.762 1.00 0.35 O ATOM 413 OP2 DC A 14 2.083 0.126 -7.165 1.00 0.39 O ATOM 414 O5' DC A 14 3.581 1.491 -5.693 1.00 0.31 O ATOM 415 C5' DC A 14 4.744 2.271 -5.405 1.00 0.35 C ATOM 416 C4' DC A 14 4.887 2.535 -3.909 1.00 0.36 C ATOM 417 O4' DC A 14 3.729 3.218 -3.431 1.00 0.37 O ATOM 418 C3' DC A 14 5.039 1.263 -3.065 1.00 0.35 C ATOM 419 O3' DC A 14 6.293 1.300 -2.372 1.00 0.39 O ATOM 420 C2' DC A 14 3.891 1.317 -2.059 1.00 0.33 C ATOM 421 C1' DC A 14 3.491 2.781 -2.101 1.00 0.35 C ATOM 422 N1 DC A 14 2.071 3.030 -1.787 1.00 0.32 N ATOM 423 C2 DC A 14 1.787 3.704 -0.611 1.00 0.32 C ATOM 424 O2 DC A 14 2.702 4.073 0.123 1.00 0.36 O ATOM 425 N3 DC A 14 0.483 3.940 -0.301 1.00 0.31 N ATOM 426 C4 DC A 14 -0.502 3.530 -1.113 1.00 0.30 C ATOM 427 N4 DC A 14 -1.769 3.776 -0.780 1.00 0.34 N ATOM 428 C5 DC A 14 -0.211 2.835 -2.330 1.00 0.32 C ATOM 429 C6 DC A 14 1.083 2.607 -2.626 1.00 0.32 C ATOM 0 H5' DC A 14 4.688 3.220 -5.939 1.00 0.35 H new ATOM 0 H5'' DC A 14 5.630 1.752 -5.770 1.00 0.35 H new ATOM 0 H4' DC A 14 5.797 3.126 -3.801 1.00 0.36 H new ATOM 0 H3' DC A 14 5.014 0.356 -3.668 1.00 0.35 H new ATOM 0 H2' DC A 14 3.068 0.662 -2.346 1.00 0.33 H new ATOM 0 H2'' DC A 14 4.209 1.011 -1.062 1.00 0.33 H new ATOM 0 H1' DC A 14 4.069 3.311 -1.344 1.00 0.35 H new ATOM 0 H41 DC A 14 -2.526 3.468 -1.391 1.00 0.34 H new ATOM 0 H42 DC A 14 -1.982 4.272 0.086 1.00 0.34 H new ATOM 0 H5 DC A 14 -1.001 2.505 -2.988 1.00 0.32 H new ATOM 0 H6 DC A 14 1.340 2.085 -3.536 1.00 0.32 H new ATOM 441 P DG A 15 6.657 0.171 -1.282 1.00 0.42 P ATOM 442 OP1 DG A 15 8.121 -0.047 -1.311 1.00 0.52 O ATOM 443 OP2 DG A 15 5.737 -0.972 -1.475 1.00 0.50 O ATOM 444 O5' DG A 15 6.282 0.888 0.109 1.00 0.38 O ATOM 445 C5' DG A 15 7.043 2.006 0.575 1.00 0.39 C ATOM 446 C4' DG A 15 6.758 2.311 2.044 1.00 0.44 C ATOM 447 O4' DG A 15 5.369 2.627 2.207 1.00 0.45 O ATOM 448 C3' DG A 15 7.062 1.148 2.985 1.00 0.48 C ATOM 449 O3' DG A 15 7.566 1.615 4.242 1.00 0.58 O ATOM 450 C2' DG A 15 5.706 0.487 3.148 1.00 0.46 C ATOM 451 C1' DG A 15 4.798 1.703 3.140 1.00 0.44 C ATOM 452 N9 DG A 15 3.414 1.426 2.715 1.00 0.41 N ATOM 453 C8 DG A 15 2.975 0.740 1.613 1.00 0.44 C ATOM 454 N7 DG A 15 1.677 0.675 1.512 1.00 0.45 N ATOM 455 C5 DG A 15 1.220 1.367 2.628 1.00 0.42 C ATOM 456 C6 DG A 15 -0.111 1.629 3.055 1.00 0.45 C ATOM 457 O6 DG A 15 -1.164 1.293 2.517 1.00 0.52 O ATOM 458 N1 DG A 15 -0.132 2.361 4.233 1.00 0.44 N ATOM 459 C2 DG A 15 0.985 2.790 4.920 1.00 0.41 C ATOM 460 N2 DG A 15 0.762 3.481 6.038 1.00 0.45 N ATOM 461 N3 DG A 15 2.236 2.545 4.520 1.00 0.41 N ATOM 462 C4 DG A 15 2.276 1.832 3.371 1.00 0.39 C ATOM 0 H5' DG A 15 6.810 2.882 -0.030 1.00 0.39 H new ATOM 0 H5'' DG A 15 8.106 1.802 0.445 1.00 0.39 H new ATOM 0 H4' DG A 15 7.412 3.143 2.304 1.00 0.44 H new ATOM 0 H3' DG A 15 7.829 0.473 2.604 1.00 0.48 H new ATOM 0 H2' DG A 15 5.481 -0.203 2.334 1.00 0.46 H new ATOM 0 H2'' DG A 15 5.631 -0.080 4.076 1.00 0.46 H new ATOM 0 HO3' DG A 15 7.750 0.849 4.825 1.00 0.58 H new ATOM 0 H1' DG A 15 4.734 2.079 4.161 1.00 0.44 H new ATOM 0 H8 DG A 15 3.644 0.293 0.893 1.00 0.44 H new ATOM 0 H1 DG A 15 -1.044 2.601 4.622 1.00 0.44 H new ATOM 0 H21 DG A 15 1.548 3.825 6.590 1.00 0.45 H new ATOM 0 H22 DG A 15 -0.194 3.665 6.341 1.00 0.45 H new TER 475 DG A 15