USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 274 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 4 A O2' : rot -139:sc= 1 USER MOD Single : A 5 A O2' : rot -23:sc= -0.0975 USER MOD Single : A 6 A O2' : rot -142:sc= -1.67! USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0217 (180deg=-1.31) USER MOD Single : A 9 DT C7 :methyl -30:sc= 0 (180deg=-0.0677) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 16 A O2' : rot -141:sc= 0.971 USER MOD Single : B 17 A O2' : rot -23:sc= -0.0871 USER MOD Single : B 18 A O2' : rot -144:sc= -1.55! USER MOD Single : B 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 20 DT C7 :methyl -30:sc= -0.116 (180deg=-1.38!) USER MOD Single : B 21 DT C7 :methyl -30:sc= 0 (180deg=-0.0751) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 DC A 1 2.665 10.665 10.256 1.00 0.09 O ATOM 2 P DC A 1 2.951 11.283 8.805 1.00 0.10 P ATOM 3 OP1 DC A 1 2.456 12.677 8.776 1.00 0.14 O ATOM 4 OP2 DC A 1 2.494 10.303 7.796 1.00 0.11 O ATOM 5 O5' DC A 1 4.556 11.300 8.812 1.00 0.09 O ATOM 6 C5' DC A 1 5.286 11.663 9.993 1.00 0.09 C ATOM 7 C4' DC A 1 5.957 10.446 10.615 1.00 0.05 C ATOM 8 O4' DC A 1 5.010 9.384 10.879 1.00 0.06 O ATOM 9 C3' DC A 1 7.024 9.909 9.666 1.00 0.06 C ATOM 10 O3' DC A 1 8.263 9.776 10.373 1.00 0.07 O ATOM 11 C2' DC A 1 6.447 8.450 9.336 1.00 0.07 C ATOM 12 C1' DC A 1 5.657 8.128 10.603 1.00 0.06 C ATOM 13 N1 DC A 1 4.640 7.055 10.443 1.00 0.06 N ATOM 14 C2 DC A 1 4.775 5.847 11.121 1.00 0.08 C ATOM 15 O2 DC A 1 5.743 5.594 11.830 1.00 0.10 O ATOM 16 N3 DC A 1 3.800 4.911 10.970 1.00 0.09 N ATOM 17 C4 DC A 1 2.736 5.133 10.192 1.00 0.09 C ATOM 18 N4 DC A 1 1.808 4.186 10.087 1.00 0.11 N ATOM 19 C5 DC A 1 2.596 6.370 9.488 1.00 0.08 C ATOM 20 C6 DC A 1 3.566 7.281 9.650 1.00 0.06 C ATOM 0 H5' DC A 1 4.611 12.120 10.716 1.00 0.09 H new ATOM 0 H5'' DC A 1 6.039 12.411 9.744 1.00 0.09 H new ATOM 0 H4' DC A 1 6.398 10.765 11.560 1.00 0.05 H new ATOM 0 H3' DC A 1 7.211 10.534 8.793 1.00 0.06 H new ATOM 0 H2' DC A 1 5.813 8.453 8.449 1.00 0.07 H new ATOM 0 H2'' DC A 1 7.243 7.727 9.157 1.00 0.07 H new ATOM 0 H1' DC A 1 6.307 7.746 11.390 1.00 0.06 H new ATOM 0 H41 DC A 1 0.989 4.337 9.498 1.00 0.11 H new ATOM 0 H42 DC A 1 1.915 3.308 10.595 1.00 0.11 H new ATOM 0 H5 DC A 1 1.744 6.562 8.852 1.00 0.08 H new ATOM 0 H6 DC A 1 3.488 8.225 9.132 1.00 0.06 H new ATOM 33 P DG A 2 9.666 9.772 9.575 1.00 0.07 P ATOM 34 OP1 DG A 2 10.753 9.970 10.562 1.00 0.09 O ATOM 35 OP2 DG A 2 9.551 10.695 8.422 1.00 0.08 O ATOM 36 O5' DG A 2 9.725 8.260 9.013 1.00 0.07 O ATOM 37 C5' DG A 2 10.446 7.221 9.688 1.00 0.07 C ATOM 38 C4' DG A 2 10.136 5.824 9.149 1.00 0.07 C ATOM 39 O4' DG A 2 8.797 5.360 9.439 1.00 0.07 O ATOM 40 C3' DG A 2 10.325 5.689 7.625 1.00 0.05 C ATOM 41 O3' DG A 2 11.377 4.742 7.362 1.00 0.06 O ATOM 42 C2' DG A 2 8.945 5.251 7.195 1.00 0.06 C ATOM 43 C1' DG A 2 8.432 4.470 8.373 1.00 0.07 C ATOM 44 N9 DG A 2 6.990 4.170 8.365 1.00 0.07 N ATOM 45 C8 DG A 2 5.936 4.949 8.010 1.00 0.07 C ATOM 46 N7 DG A 2 4.740 4.333 8.154 1.00 0.08 N ATOM 47 C5 DG A 2 5.074 3.100 8.620 1.00 0.07 C ATOM 48 C6 DG A 2 4.249 1.991 8.963 1.00 0.08 C ATOM 49 O6 DG A 2 3.029 1.868 8.932 1.00 0.09 O ATOM 50 N1 DG A 2 4.992 0.917 9.394 1.00 0.07 N ATOM 51 C2 DG A 2 6.358 0.889 9.495 1.00 0.07 C ATOM 52 N2 DG A 2 6.904 -0.239 9.914 1.00 0.07 N ATOM 53 N3 DG A 2 7.145 1.912 9.184 1.00 0.07 N ATOM 54 C4 DG A 2 6.438 2.982 8.754 1.00 0.06 C ATOM 0 H5' DG A 2 10.208 7.254 10.751 1.00 0.07 H new ATOM 0 H5'' DG A 2 11.515 7.410 9.595 1.00 0.07 H new ATOM 0 H4' DG A 2 10.865 5.210 9.678 1.00 0.07 H new ATOM 0 H3' DG A 2 10.642 6.581 7.085 1.00 0.05 H new ATOM 0 H2' DG A 2 8.306 6.105 6.973 1.00 0.06 H new ATOM 0 H2'' DG A 2 8.983 4.638 6.295 1.00 0.06 H new ATOM 0 H1' DG A 2 8.845 3.463 8.423 1.00 0.07 H new ATOM 0 H8 DG A 2 6.042 5.961 7.648 1.00 0.07 H new ATOM 0 H1 DG A 2 4.485 0.073 9.660 1.00 0.07 H new ATOM 0 H21 DG A 2 7.917 -0.312 10.006 1.00 0.07 H new ATOM 0 H22 DG A 2 6.312 -1.037 10.145 1.00 0.07 H new ATOM 66 P DC A 3 11.748 4.079 5.934 1.00 0.06 P ATOM 67 OP1 DC A 3 13.206 4.221 5.720 1.00 0.10 O ATOM 68 OP2 DC A 3 10.798 4.575 4.911 1.00 0.06 O ATOM 69 O5' DC A 3 11.413 2.521 6.208 1.00 0.07 O ATOM 70 C5' DC A 3 12.112 1.750 7.206 1.00 0.08 C ATOM 71 C4' DC A 3 11.778 0.252 7.164 1.00 0.08 C ATOM 72 O4' DC A 3 10.378 -0.013 7.400 1.00 0.10 O ATOM 73 C3' DC A 3 12.150 -0.353 5.816 1.00 0.06 C ATOM 74 O3' DC A 3 12.520 -1.737 5.919 1.00 0.08 O ATOM 75 C2' DC A 3 10.803 -0.172 5.084 1.00 0.06 C ATOM 76 C1' DC A 3 9.756 -0.515 6.199 1.00 0.07 C ATOM 77 N1 DC A 3 8.387 0.091 6.155 1.00 0.06 N ATOM 78 C2 DC A 3 7.293 -0.754 6.367 1.00 0.07 C ATOM 79 O2 DC A 3 7.410 -1.959 6.573 1.00 0.10 O ATOM 80 N3 DC A 3 6.043 -0.228 6.344 1.00 0.07 N ATOM 81 C4 DC A 3 5.846 1.071 6.123 1.00 0.06 C ATOM 82 N4 DC A 3 4.597 1.525 6.115 1.00 0.07 N ATOM 83 C5 DC A 3 6.942 1.960 5.903 1.00 0.07 C ATOM 84 C6 DC A 3 8.184 1.433 5.928 1.00 0.06 C ATOM 0 H5' DC A 3 11.868 2.141 8.194 1.00 0.08 H new ATOM 0 H5'' DC A 3 13.185 1.879 7.068 1.00 0.08 H new ATOM 0 H4' DC A 3 12.363 -0.203 7.963 1.00 0.08 H new ATOM 0 H3' DC A 3 13.015 0.099 5.331 1.00 0.06 H new ATOM 0 H2' DC A 3 10.679 0.844 4.711 1.00 0.06 H new ATOM 0 H2'' DC A 3 10.715 -0.840 4.227 1.00 0.06 H new ATOM 0 H1' DC A 3 9.553 -1.581 6.098 1.00 0.07 H new ATOM 0 H41 DC A 3 4.415 2.515 5.948 1.00 0.07 H new ATOM 0 H42 DC A 3 3.820 0.884 6.275 1.00 0.07 H new ATOM 0 H5 DC A 3 6.783 3.013 5.724 1.00 0.07 H new ATOM 0 H6 DC A 3 9.036 2.077 5.767 1.00 0.06 H new ATOM 96 P A A 4 13.097 -2.557 4.646 1.00 0.09 P ATOM 97 OP1 A A 4 13.862 -3.715 5.162 1.00 0.13 O ATOM 98 OP2 A A 4 13.755 -1.597 3.729 1.00 0.10 O ATOM 99 O5' A A 4 11.755 -3.099 3.922 1.00 0.10 O ATOM 100 C5' A A 4 11.142 -4.343 4.299 1.00 0.09 C ATOM 101 C4' A A 4 9.693 -4.479 3.834 1.00 0.07 C ATOM 102 O4' A A 4 8.830 -3.467 4.378 1.00 0.08 O ATOM 103 C3' A A 4 9.487 -4.330 2.329 1.00 0.07 C ATOM 104 O3' A A 4 9.998 -5.444 1.565 1.00 0.07 O ATOM 105 C2' A A 4 7.970 -4.194 2.296 1.00 0.06 C ATOM 106 O2' A A 4 7.291 -5.438 2.345 1.00 0.06 O ATOM 107 C1' A A 4 7.608 -3.615 3.637 1.00 0.06 C ATOM 108 N9 A A 4 6.743 -2.427 3.562 1.00 0.05 N ATOM 109 C8 A A 4 7.071 -1.123 3.388 1.00 0.06 C ATOM 110 N7 A A 4 6.004 -0.293 3.394 1.00 0.05 N ATOM 111 C5 A A 4 4.956 -1.136 3.582 1.00 0.03 C ATOM 112 C6 A A 4 3.576 -0.922 3.685 1.00 0.04 C ATOM 113 N6 A A 4 3.010 0.279 3.625 1.00 0.05 N ATOM 114 N1 A A 4 2.797 -1.995 3.872 1.00 0.05 N ATOM 115 C2 A A 4 3.341 -3.203 3.953 1.00 0.05 C ATOM 116 N3 A A 4 4.619 -3.534 3.873 1.00 0.04 N ATOM 117 C4 A A 4 5.381 -2.435 3.685 1.00 0.03 C ATOM 0 H5' A A 4 11.177 -4.441 5.384 1.00 0.09 H new ATOM 0 H5'' A A 4 11.726 -5.166 3.886 1.00 0.09 H new ATOM 0 H4' A A 4 9.453 -5.485 4.176 1.00 0.07 H new ATOM 0 H3' A A 4 10.025 -3.502 1.867 1.00 0.07 H new ATOM 0 H2' A A 4 7.707 -3.640 1.395 1.00 0.06 H new ATOM 0 HO2' A A 4 6.535 -5.423 1.722 1.00 0.06 H new ATOM 0 H1' A A 4 6.958 -4.294 4.188 1.00 0.06 H new ATOM 0 H8 A A 4 8.087 -0.780 3.257 1.00 0.06 H new ATOM 0 H61 A A 4 1.997 0.370 3.707 1.00 0.05 H new ATOM 0 H62 A A 4 3.588 1.109 3.497 1.00 0.05 H new ATOM 0 H2 A A 4 2.652 -4.021 4.104 1.00 0.05 H new ATOM 129 P A A 5 9.810 -5.594 -0.042 1.00 0.07 P ATOM 130 OP1 A A 5 10.935 -6.409 -0.556 1.00 0.08 O ATOM 131 OP2 A A 5 9.573 -4.243 -0.602 1.00 0.10 O ATOM 132 O5' A A 5 8.438 -6.444 -0.224 1.00 0.06 O ATOM 133 C5' A A 5 8.378 -7.869 -0.019 1.00 0.06 C ATOM 134 C4' A A 5 6.953 -8.418 0.155 1.00 0.06 C ATOM 135 O4' A A 5 6.299 -7.791 1.283 1.00 0.05 O ATOM 136 C3' A A 5 6.017 -8.210 -1.047 1.00 0.06 C ATOM 137 O3' A A 5 6.129 -9.198 -2.088 1.00 0.07 O ATOM 138 C2' A A 5 4.691 -8.337 -0.296 1.00 0.06 C ATOM 139 O2' A A 5 4.478 -9.677 0.173 1.00 0.07 O ATOM 140 C1' A A 5 4.953 -7.434 0.909 1.00 0.05 C ATOM 141 N9 A A 5 4.874 -5.974 0.592 1.00 0.05 N ATOM 142 C8 A A 5 5.820 -5.120 0.051 1.00 0.06 C ATOM 143 N7 A A 5 5.383 -3.849 -0.059 1.00 0.05 N ATOM 144 C5 A A 5 4.118 -3.898 0.426 1.00 0.04 C ATOM 145 C6 A A 5 3.137 -2.911 0.582 1.00 0.05 C ATOM 146 N6 A A 5 3.326 -1.639 0.251 1.00 0.06 N ATOM 147 N1 A A 5 1.958 -3.277 1.100 1.00 0.06 N ATOM 148 C2 A A 5 1.755 -4.544 1.449 1.00 0.06 C ATOM 149 N3 A A 5 2.599 -5.561 1.352 1.00 0.05 N ATOM 150 C4 A A 5 3.781 -5.166 0.825 1.00 0.04 C ATOM 0 H5' A A 5 8.964 -8.123 0.864 1.00 0.06 H new ATOM 0 H5'' A A 5 8.847 -8.367 -0.867 1.00 0.06 H new ATOM 0 H4' A A 5 7.108 -9.489 0.288 1.00 0.06 H new ATOM 0 H3' A A 5 6.200 -7.292 -1.605 1.00 0.06 H new ATOM 0 H2' A A 5 3.823 -8.084 -0.905 1.00 0.06 H new ATOM 0 HO2' A A 5 5.008 -10.300 -0.366 1.00 0.07 H new ATOM 0 H1' A A 5 4.206 -7.579 1.689 1.00 0.05 H new ATOM 0 H8 A A 5 6.806 -5.439 -0.252 1.00 0.06 H new ATOM 0 H61 A A 5 2.577 -0.960 0.386 1.00 0.06 H new ATOM 0 H62 A A 5 4.221 -1.341 -0.138 1.00 0.06 H new ATOM 0 H2 A A 5 0.783 -4.772 1.862 1.00 0.06 H new ATOM 162 P A A 6 5.589 -8.931 -3.596 1.00 0.07 P ATOM 163 OP1 A A 6 5.820 -10.158 -4.391 1.00 0.09 O ATOM 164 OP2 A A 6 6.162 -7.645 -4.056 1.00 0.09 O ATOM 165 O5' A A 6 3.994 -8.730 -3.443 1.00 0.07 O ATOM 166 C5' A A 6 3.116 -9.729 -2.892 1.00 0.07 C ATOM 167 C4' A A 6 1.810 -9.100 -2.407 1.00 0.06 C ATOM 168 O4' A A 6 2.171 -8.026 -1.514 1.00 0.06 O ATOM 169 C3' A A 6 1.008 -8.472 -3.551 1.00 0.06 C ATOM 170 O3' A A 6 0.074 -9.401 -4.139 1.00 0.06 O ATOM 171 C2' A A 6 0.305 -7.365 -2.776 1.00 0.05 C ATOM 172 O2' A A 6 -0.915 -7.748 -2.163 1.00 0.06 O ATOM 173 C1' A A 6 1.321 -6.902 -1.763 1.00 0.05 C ATOM 174 N9 A A 6 2.024 -5.682 -2.219 1.00 0.04 N ATOM 175 C8 A A 6 3.273 -5.510 -2.756 1.00 0.05 C ATOM 176 N7 A A 6 3.569 -4.217 -3.002 1.00 0.06 N ATOM 177 C5 A A 6 2.455 -3.555 -2.606 1.00 0.05 C ATOM 178 C6 A A 6 2.126 -2.200 -2.601 1.00 0.05 C ATOM 179 N6 A A 6 2.975 -1.271 -3.019 1.00 0.06 N ATOM 180 N1 A A 6 0.917 -1.848 -2.140 1.00 0.05 N ATOM 181 C2 A A 6 0.086 -2.793 -1.708 1.00 0.05 C ATOM 182 N3 A A 6 0.283 -4.098 -1.660 1.00 0.04 N ATOM 183 C4 A A 6 1.507 -4.417 -2.131 1.00 0.04 C ATOM 0 H5' A A 6 3.610 -10.236 -2.063 1.00 0.07 H new ATOM 0 H5'' A A 6 2.902 -10.486 -3.646 1.00 0.07 H new ATOM 0 H4' A A 6 1.203 -9.876 -1.942 1.00 0.06 H new ATOM 0 H3' A A 6 1.598 -8.142 -4.406 1.00 0.06 H new ATOM 0 H2' A A 6 -0.010 -6.575 -3.458 1.00 0.05 H new ATOM 0 HO2' A A 6 -1.561 -7.015 -2.234 1.00 0.06 H new ATOM 0 H1' A A 6 0.861 -6.590 -0.825 1.00 0.05 H new ATOM 0 H8 A A 6 3.951 -6.326 -2.961 1.00 0.05 H new ATOM 0 H61 A A 6 2.704 -0.288 -3.003 1.00 0.06 H new ATOM 0 H62 A A 6 3.899 -1.540 -3.357 1.00 0.06 H new ATOM 0 H2 A A 6 -0.873 -2.449 -1.351 1.00 0.05 H new ATOM 195 P DT A 7 -0.761 -9.117 -5.498 1.00 0.07 P ATOM 196 OP1 DT A 7 -1.507 -10.349 -5.845 1.00 0.09 O ATOM 197 OP2 DT A 7 0.175 -8.530 -6.485 1.00 0.09 O ATOM 198 O5' DT A 7 -1.834 -7.975 -5.104 1.00 0.06 O ATOM 199 C5' DT A 7 -2.863 -8.164 -4.118 1.00 0.05 C ATOM 200 C4' DT A 7 -3.504 -6.829 -3.722 1.00 0.05 C ATOM 201 O4' DT A 7 -2.445 -5.908 -3.374 1.00 0.07 O ATOM 202 C3' DT A 7 -4.305 -6.232 -4.883 1.00 0.05 C ATOM 203 O3' DT A 7 -5.695 -6.074 -4.553 1.00 0.08 O ATOM 204 C2' DT A 7 -3.669 -4.828 -5.055 1.00 0.06 C ATOM 205 C1' DT A 7 -2.746 -4.596 -3.881 1.00 0.05 C ATOM 206 N1 DT A 7 -1.532 -3.947 -4.440 1.00 0.04 N ATOM 207 C2 DT A 7 -1.385 -2.580 -4.324 1.00 0.04 C ATOM 208 O2 DT A 7 -2.226 -1.859 -3.803 1.00 0.05 O ATOM 209 N3 DT A 7 -0.223 -2.053 -4.834 1.00 0.04 N ATOM 210 C4 DT A 7 0.792 -2.755 -5.438 1.00 0.04 C ATOM 211 C5 DT A 7 0.564 -4.182 -5.525 1.00 0.05 C ATOM 212 C6 DT A 7 -0.576 -4.710 -5.035 1.00 0.05 C ATOM 213 O4 DT A 7 1.783 -2.148 -5.830 1.00 0.06 O ATOM 226 C7 DT A 7 1.632 -5.100 -6.145 1.00 0.07 C ATOM 0 H5' DT A 7 -2.440 -8.643 -3.235 1.00 0.05 H new ATOM 0 H5'' DT A 7 -3.627 -8.835 -4.510 1.00 0.05 H new ATOM 0 H4' DT A 7 -4.181 -6.997 -2.885 1.00 0.05 H new ATOM 0 H3' DT A 7 -4.271 -6.865 -5.770 1.00 0.05 H new ATOM 0 H2' DT A 7 -3.117 -4.770 -5.993 1.00 0.06 H new ATOM 0 H2'' DT A 7 -4.441 -4.060 -5.092 1.00 0.06 H new ATOM 0 H1' DT A 7 -3.158 -3.973 -3.087 1.00 0.05 H new ATOM 0 H3 DT A 7 -0.102 -1.043 -4.757 1.00 0.04 H new ATOM 0 H71 DT A 7 1.578 -6.085 -5.682 1.00 0.07 H new ATOM 0 H72 DT A 7 1.455 -5.192 -7.217 1.00 0.07 H new ATOM 0 H73 DT A 7 2.621 -4.674 -5.976 1.00 0.07 H new ATOM 0 H6 DT A 7 -0.735 -5.775 -5.118 1.00 0.05 H new ATOM 227 P DT A 8 -6.790 -5.568 -5.641 1.00 0.10 P ATOM 228 OP1 DT A 8 -8.136 -5.841 -5.088 1.00 0.14 O ATOM 229 OP2 DT A 8 -6.418 -6.124 -6.962 1.00 0.13 O ATOM 230 O5' DT A 8 -6.580 -3.967 -5.691 1.00 0.13 O ATOM 231 C5' DT A 8 -6.839 -3.130 -4.550 1.00 0.13 C ATOM 232 C4' DT A 8 -6.620 -1.646 -4.856 1.00 0.14 C ATOM 233 O4' DT A 8 -5.257 -1.423 -5.238 1.00 0.14 O ATOM 234 C3' DT A 8 -7.528 -1.100 -5.966 1.00 0.11 C ATOM 235 O3' DT A 8 -8.260 0.034 -5.466 1.00 0.11 O ATOM 236 C2' DT A 8 -6.500 -0.722 -7.038 1.00 0.12 C ATOM 237 C1' DT A 8 -5.237 -0.444 -6.275 1.00 0.11 C ATOM 238 N1 DT A 8 -3.962 -0.640 -7.000 1.00 0.08 N ATOM 239 C2 DT A 8 -3.121 0.438 -7.189 1.00 0.08 C ATOM 240 O2 DT A 8 -3.387 1.583 -6.838 1.00 0.11 O ATOM 241 N3 DT A 8 -1.927 0.164 -7.810 1.00 0.08 N ATOM 242 C4 DT A 8 -1.503 -1.067 -8.250 1.00 0.08 C ATOM 243 C5 DT A 8 -2.442 -2.144 -8.021 1.00 0.09 C ATOM 244 C6 DT A 8 -3.616 -1.887 -7.418 1.00 0.08 C ATOM 245 O4 DT A 8 -0.394 -1.163 -8.761 1.00 0.08 O ATOM 258 C7 DT A 8 -2.104 -3.583 -8.458 1.00 0.10 C ATOM 0 H5' DT A 8 -6.189 -3.429 -3.728 1.00 0.13 H new ATOM 0 H5'' DT A 8 -7.865 -3.282 -4.216 1.00 0.13 H new ATOM 0 H4' DT A 8 -6.871 -1.114 -3.938 1.00 0.14 H new ATOM 0 H3' DT A 8 -8.289 -1.785 -6.341 1.00 0.11 H new ATOM 0 H2' DT A 8 -6.360 -1.531 -7.755 1.00 0.12 H new ATOM 0 H2'' DT A 8 -6.821 0.153 -7.604 1.00 0.12 H new ATOM 0 H1' DT A 8 -5.244 0.608 -5.991 1.00 0.11 H new ATOM 0 H3 DT A 8 -1.294 0.950 -7.959 1.00 0.08 H new ATOM 0 H71 DT A 8 -1.453 -3.554 -9.332 1.00 0.10 H new ATOM 0 H72 DT A 8 -1.597 -4.101 -7.644 1.00 0.10 H new ATOM 0 H73 DT A 8 -3.023 -4.113 -8.708 1.00 0.10 H new ATOM 0 H6 DT A 8 -4.309 -2.700 -7.260 1.00 0.08 H new ATOM 259 P DT A 9 -9.534 0.695 -6.217 1.00 0.08 P ATOM 260 OP1 DT A 9 -10.277 1.509 -5.228 1.00 0.13 O ATOM 261 OP2 DT A 9 -10.243 -0.371 -6.962 1.00 0.10 O ATOM 262 O5' DT A 9 -8.863 1.694 -7.299 1.00 0.09 O ATOM 263 C5' DT A 9 -8.182 2.907 -6.923 1.00 0.11 C ATOM 264 C4' DT A 9 -7.235 3.403 -8.025 1.00 0.14 C ATOM 265 O4' DT A 9 -6.263 2.395 -8.321 1.00 0.12 O ATOM 266 C3' DT A 9 -7.941 3.725 -9.348 1.00 0.15 C ATOM 267 O3' DT A 9 -8.074 5.147 -9.520 1.00 0.19 O ATOM 268 C2' DT A 9 -7.003 3.064 -10.375 1.00 0.15 C ATOM 269 C1' DT A 9 -5.747 2.754 -9.601 1.00 0.14 C ATOM 270 N1 DT A 9 -4.948 1.601 -10.071 1.00 0.08 N ATOM 271 C2 DT A 9 -3.610 1.799 -10.352 1.00 0.09 C ATOM 272 O2 DT A 9 -3.046 2.885 -10.274 1.00 0.13 O ATOM 273 N3 DT A 9 -2.907 0.688 -10.740 1.00 0.09 N ATOM 274 C4 DT A 9 -3.393 -0.585 -10.875 1.00 0.07 C ATOM 275 C5 DT A 9 -4.803 -0.715 -10.566 1.00 0.08 C ATOM 276 C6 DT A 9 -5.518 0.364 -10.186 1.00 0.09 C ATOM 277 O4 DT A 9 -2.621 -1.475 -11.220 1.00 0.09 O ATOM 290 C7 DT A 9 -5.496 -2.080 -10.651 1.00 0.11 C ATOM 0 H5' DT A 9 -7.615 2.735 -6.008 1.00 0.11 H new ATOM 0 H5'' DT A 9 -8.917 3.681 -6.702 1.00 0.11 H new ATOM 0 H4' DT A 9 -6.790 4.317 -7.632 1.00 0.14 H new ATOM 0 H3' DT A 9 -8.965 3.359 -9.428 1.00 0.15 H new ATOM 0 H2' DT A 9 -7.446 2.159 -10.791 1.00 0.15 H new ATOM 0 H2'' DT A 9 -6.798 3.732 -11.212 1.00 0.15 H new ATOM 0 H1' DT A 9 -5.071 3.606 -9.670 1.00 0.14 H new ATOM 0 H3 DT A 9 -1.918 0.824 -10.950 1.00 0.09 H new ATOM 0 H71 DT A 9 -5.009 -2.689 -11.413 1.00 0.11 H new ATOM 0 H72 DT A 9 -5.428 -2.583 -9.686 1.00 0.11 H new ATOM 0 H73 DT A 9 -6.544 -1.940 -10.914 1.00 0.11 H new ATOM 0 H6 DT A 9 -6.569 0.247 -9.967 1.00 0.09 H new ATOM 291 P DG A 10 -8.625 5.840 -10.874 1.00 0.21 P ATOM 292 OP1 DG A 10 -8.986 7.243 -10.565 1.00 0.27 O ATOM 293 OP2 DG A 10 -9.631 4.941 -11.484 1.00 0.25 O ATOM 294 O5' DG A 10 -7.308 5.835 -11.808 1.00 0.16 O ATOM 295 C5' DG A 10 -6.203 6.722 -11.561 1.00 0.15 C ATOM 296 C4' DG A 10 -5.038 6.502 -12.528 1.00 0.12 C ATOM 297 O4' DG A 10 -4.392 5.216 -12.391 1.00 0.11 O ATOM 298 C3' DG A 10 -5.467 6.630 -13.997 1.00 0.12 C ATOM 299 O3' DG A 10 -4.779 7.723 -14.628 1.00 0.11 O ATOM 300 C2' DG A 10 -5.046 5.269 -14.534 1.00 0.12 C ATOM 301 C1' DG A 10 -3.862 4.888 -13.684 1.00 0.11 C ATOM 302 N9 DG A 10 -3.527 3.455 -13.780 1.00 0.10 N ATOM 303 C8 DG A 10 -4.323 2.392 -13.513 1.00 0.11 C ATOM 304 N7 DG A 10 -3.709 1.199 -13.675 1.00 0.11 N ATOM 305 C5 DG A 10 -2.454 1.547 -14.069 1.00 0.12 C ATOM 306 C6 DG A 10 -1.340 0.725 -14.395 1.00 0.12 C ATOM 307 O6 DG A 10 -1.231 -0.498 -14.392 1.00 0.13 O ATOM 308 N1 DG A 10 -0.242 1.471 -14.751 1.00 0.12 N ATOM 309 C2 DG A 10 -0.197 2.840 -14.798 1.00 0.11 C ATOM 310 N2 DG A 10 0.952 3.383 -15.167 1.00 0.12 N ATOM 311 N3 DG A 10 -1.227 3.626 -14.497 1.00 0.11 N ATOM 312 C4 DG A 10 -2.322 2.914 -14.142 1.00 0.11 C ATOM 0 H5' DG A 10 -5.852 6.582 -10.539 1.00 0.15 H new ATOM 0 H5'' DG A 10 -6.546 7.753 -11.641 1.00 0.15 H new ATOM 0 H4' DG A 10 -4.333 7.288 -12.255 1.00 0.12 H new ATOM 0 H3' DG A 10 -6.521 6.851 -14.165 1.00 0.12 H new ATOM 0 H2' DG A 10 -5.851 4.539 -14.446 1.00 0.12 H new ATOM 0 H2'' DG A 10 -4.778 5.322 -15.589 1.00 0.12 H new ATOM 0 H1' DG A 10 -2.929 5.381 -13.957 1.00 0.11 H new ATOM 0 H8 DG A 10 -5.352 2.489 -13.200 1.00 0.11 H new ATOM 0 H1 DG A 10 0.608 0.965 -15.000 1.00 0.12 H new ATOM 0 H21 DG A 10 1.043 4.398 -15.220 1.00 0.12 H new ATOM 0 H22 DG A 10 1.747 2.787 -15.399 1.00 0.12 H new ATOM 324 P DC A 11 -5.071 8.194 -16.147 1.00 0.11 P ATOM 325 OP1 DC A 11 -4.600 9.590 -16.293 1.00 0.11 O ATOM 326 OP2 DC A 11 -6.475 7.856 -16.480 1.00 0.12 O ATOM 327 O5' DC A 11 -4.105 7.235 -17.013 1.00 0.14 O ATOM 328 C5' DC A 11 -2.681 7.428 -17.066 1.00 0.15 C ATOM 329 C4' DC A 11 -1.986 6.333 -17.878 1.00 0.14 C ATOM 330 O4' DC A 11 -2.188 5.036 -17.292 1.00 0.13 O ATOM 331 C3' DC A 11 -2.500 6.260 -19.321 1.00 0.13 C ATOM 332 O3' DC A 11 -1.477 6.685 -20.237 1.00 0.16 O ATOM 333 C2' DC A 11 -2.812 4.753 -19.456 1.00 0.15 C ATOM 334 C1' DC A 11 -2.005 4.101 -18.354 1.00 0.11 C ATOM 335 N1 DC A 11 -2.483 2.771 -17.888 1.00 0.09 N ATOM 336 C2 DC A 11 -1.598 1.702 -17.886 1.00 0.08 C ATOM 337 O2 DC A 11 -0.443 1.799 -18.290 1.00 0.11 O ATOM 338 N3 DC A 11 -2.033 0.504 -17.425 1.00 0.08 N ATOM 339 C4 DC A 11 -3.281 0.343 -16.984 1.00 0.09 C ATOM 340 N4 DC A 11 -3.640 -0.855 -16.539 1.00 0.10 N ATOM 341 C5 DC A 11 -4.210 1.428 -16.979 1.00 0.12 C ATOM 342 C6 DC A 11 -3.765 2.617 -17.441 1.00 0.12 C ATOM 0 H5' DC A 11 -2.278 7.440 -16.053 1.00 0.15 H new ATOM 0 H5'' DC A 11 -2.463 8.401 -17.507 1.00 0.15 H new ATOM 0 H4' DC A 11 -0.929 6.599 -17.875 1.00 0.14 H new ATOM 0 H3' DC A 11 -3.355 6.900 -19.540 1.00 0.13 H new ATOM 0 H2' DC A 11 -3.878 4.556 -19.338 1.00 0.15 H new ATOM 0 H2'' DC A 11 -2.524 4.374 -20.437 1.00 0.15 H new ATOM 0 H1' DC A 11 -0.989 3.902 -18.695 1.00 0.11 H new ATOM 0 H41 DC A 11 -4.588 -1.008 -16.195 1.00 0.10 H new ATOM 0 H42 DC A 11 -2.968 -1.622 -16.541 1.00 0.10 H new ATOM 0 H5 DC A 11 -5.222 1.304 -16.622 1.00 0.12 H new ATOM 0 H6 DC A 11 -4.436 3.463 -17.457 1.00 0.12 H new ATOM 354 P DG A 12 -1.632 6.584 -21.844 1.00 0.13 P ATOM 355 OP1 DG A 12 -0.670 7.524 -22.465 1.00 0.16 O ATOM 356 OP2 DG A 12 -3.068 6.665 -22.192 1.00 0.17 O ATOM 357 O5' DG A 12 -1.130 5.072 -22.125 1.00 0.08 O ATOM 358 C5' DG A 12 0.267 4.739 -22.081 1.00 0.09 C ATOM 359 C4' DG A 12 0.555 3.267 -22.382 1.00 0.14 C ATOM 360 O4' DG A 12 -0.003 2.346 -21.389 1.00 0.16 O ATOM 361 C3' DG A 12 -0.027 2.803 -23.732 1.00 0.17 C ATOM 362 O3' DG A 12 0.924 1.909 -24.328 1.00 0.27 O ATOM 363 C2' DG A 12 -1.175 1.948 -23.244 1.00 0.15 C ATOM 364 C1' DG A 12 -0.601 1.215 -22.064 1.00 0.16 C ATOM 365 N9 DG A 12 -1.521 0.385 -21.284 1.00 0.11 N ATOM 366 C8 DG A 12 -2.727 0.694 -20.759 1.00 0.07 C ATOM 367 N7 DG A 12 -3.304 -0.324 -20.085 1.00 0.05 N ATOM 368 C5 DG A 12 -2.393 -1.326 -20.204 1.00 0.05 C ATOM 369 C6 DG A 12 -2.426 -2.657 -19.708 1.00 0.06 C ATOM 370 O6 DG A 12 -3.278 -3.232 -19.037 1.00 0.08 O ATOM 371 N1 DG A 12 -1.295 -3.356 -20.056 1.00 0.08 N ATOM 372 C2 DG A 12 -0.251 -2.862 -20.790 1.00 0.12 C ATOM 373 N2 DG A 12 0.749 -3.695 -21.020 1.00 0.15 N ATOM 374 N3 DG A 12 -0.197 -1.622 -21.262 1.00 0.14 N ATOM 375 C4 DG A 12 -1.302 -0.914 -20.931 1.00 0.10 C ATOM 0 H5' DG A 12 0.659 4.983 -21.094 1.00 0.09 H new ATOM 0 H5'' DG A 12 0.803 5.360 -22.799 1.00 0.09 H new ATOM 0 H4' DG A 12 1.644 3.230 -22.381 1.00 0.14 H new ATOM 0 H3' DG A 12 -0.279 3.598 -24.434 1.00 0.17 H new ATOM 0 H2' DG A 12 -2.033 2.556 -22.958 1.00 0.15 H new ATOM 0 H2'' DG A 12 -1.516 1.258 -24.016 1.00 0.15 H new ATOM 0 HO3' DG A 12 0.581 1.594 -25.190 1.00 0.27 H new ATOM 0 H1' DG A 12 0.086 0.406 -22.311 1.00 0.16 H new ATOM 0 H8 DG A 12 -3.187 1.665 -20.868 1.00 0.07 H new ATOM 0 H1 DG A 12 -1.228 -4.324 -19.741 1.00 0.08 H new ATOM 0 H21 DG A 12 1.556 -3.386 -21.561 1.00 0.15 H new ATOM 0 H22 DG A 12 0.713 -4.647 -20.656 1.00 0.15 H new TER 388 DG A 12 ATOM 389 OP3 DC B 13 -1.284 -11.717 -17.822 1.00 0.18 O ATOM 390 P DC B 13 -0.362 -12.241 -16.620 1.00 0.16 P ATOM 391 OP1 DC B 13 -0.645 -13.675 -16.393 1.00 0.21 O ATOM 392 OP2 DC B 13 -0.468 -11.270 -15.509 1.00 0.18 O ATOM 393 O5' DC B 13 1.092 -12.095 -17.288 1.00 0.12 O ATOM 394 C5' DC B 13 1.314 -12.436 -18.663 1.00 0.11 C ATOM 395 C4' DC B 13 1.527 -11.186 -19.506 1.00 0.10 C ATOM 396 O4' DC B 13 0.432 -10.251 -19.373 1.00 0.12 O ATOM 397 C3' DC B 13 2.809 -10.483 -19.072 1.00 0.10 C ATOM 398 O3' DC B 13 3.616 -10.221 -20.227 1.00 0.09 O ATOM 399 C2' DC B 13 2.228 -9.096 -18.513 1.00 0.10 C ATOM 400 C1' DC B 13 0.978 -8.920 -19.371 1.00 0.11 C ATOM 401 N1 DC B 13 -0.021 -7.956 -18.840 1.00 0.09 N ATOM 402 C2 DC B 13 -0.307 -6.784 -19.534 1.00 0.08 C ATOM 403 O2 DC B 13 0.280 -6.474 -20.568 1.00 0.11 O ATOM 404 N3 DC B 13 -1.258 -5.949 -19.032 1.00 0.08 N ATOM 405 C4 DC B 13 -1.905 -6.239 -17.898 1.00 0.07 C ATOM 406 N4 DC B 13 -2.830 -5.392 -17.452 1.00 0.08 N ATOM 407 C5 DC B 13 -1.610 -7.439 -17.178 1.00 0.07 C ATOM 408 C6 DC B 13 -0.673 -8.248 -17.689 1.00 0.08 C ATOM 0 H5' DC B 13 0.461 -12.996 -19.045 1.00 0.11 H new ATOM 0 H5'' DC B 13 2.185 -13.087 -18.744 1.00 0.11 H new ATOM 0 H4' DC B 13 1.590 -11.506 -20.546 1.00 0.10 H new ATOM 0 H3' DC B 13 3.420 -11.043 -18.364 1.00 0.10 H new ATOM 0 H2' DC B 13 1.992 -9.149 -17.450 1.00 0.10 H new ATOM 0 H2'' DC B 13 2.933 -8.275 -18.642 1.00 0.10 H new ATOM 0 H1' DC B 13 1.225 -8.503 -20.347 1.00 0.11 H new ATOM 0 H41 DC B 13 -3.334 -5.596 -16.589 1.00 0.08 H new ATOM 0 H42 DC B 13 -3.034 -4.539 -17.973 1.00 0.08 H new ATOM 0 H5 DC B 13 -2.122 -7.683 -16.259 1.00 0.07 H new ATOM 0 H6 DC B 13 -0.430 -9.162 -17.167 1.00 0.08 H new ATOM 421 P DG B 14 5.190 -9.890 -20.080 1.00 0.09 P ATOM 422 OP1 DG B 14 5.791 -9.932 -21.433 1.00 0.10 O ATOM 423 OP2 DG B 14 5.748 -10.743 -19.005 1.00 0.16 O ATOM 424 O5' DG B 14 5.159 -8.362 -19.554 1.00 0.12 O ATOM 425 C5' DG B 14 5.479 -7.247 -20.401 1.00 0.10 C ATOM 426 C4' DG B 14 5.266 -5.890 -19.722 1.00 0.10 C ATOM 427 O4' DG B 14 3.879 -5.537 -19.490 1.00 0.10 O ATOM 428 C3' DG B 14 5.982 -5.769 -18.364 1.00 0.08 C ATOM 429 O3' DG B 14 7.002 -4.756 -18.441 1.00 0.09 O ATOM 430 C2' DG B 14 4.818 -5.461 -17.448 1.00 0.07 C ATOM 431 C1' DG B 14 3.856 -4.700 -18.321 1.00 0.09 C ATOM 432 N9 DG B 14 2.497 -4.536 -17.776 1.00 0.08 N ATOM 433 C8 DG B 14 1.701 -5.437 -17.143 1.00 0.09 C ATOM 434 N7 DG B 14 0.495 -4.939 -16.794 1.00 0.09 N ATOM 435 C5 DG B 14 0.545 -3.653 -17.231 1.00 0.08 C ATOM 436 C6 DG B 14 -0.432 -2.620 -17.149 1.00 0.09 C ATOM 437 O6 DG B 14 -1.562 -2.635 -16.670 1.00 0.08 O ATOM 438 N1 DG B 14 0.016 -1.449 -17.712 1.00 0.11 N ATOM 439 C2 DG B 14 1.245 -1.270 -18.291 1.00 0.12 C ATOM 440 N2 DG B 14 1.509 -0.066 -18.767 1.00 0.15 N ATOM 441 N3 DG B 14 2.171 -2.221 -18.382 1.00 0.11 N ATOM 442 C4 DG B 14 1.753 -3.385 -17.831 1.00 0.08 C ATOM 0 H5' DG B 14 4.866 -7.295 -21.301 1.00 0.10 H new ATOM 0 H5'' DG B 14 6.519 -7.327 -20.719 1.00 0.10 H new ATOM 0 H4' DG B 14 5.696 -5.203 -20.451 1.00 0.10 H new ATOM 0 H3' DG B 14 6.536 -6.641 -18.017 1.00 0.08 H new ATOM 0 H2' DG B 14 4.366 -6.373 -17.057 1.00 0.07 H new ATOM 0 H2'' DG B 14 5.132 -4.868 -16.589 1.00 0.07 H new ATOM 0 H1' DG B 14 4.141 -3.658 -18.467 1.00 0.09 H new ATOM 0 H8 DG B 14 2.003 -6.453 -16.939 1.00 0.09 H new ATOM 0 H1 DG B 14 -0.617 -0.649 -17.698 1.00 0.11 H new ATOM 0 H21 DG B 14 2.409 0.122 -19.208 1.00 0.15 H new ATOM 0 H22 DG B 14 0.813 0.676 -18.693 1.00 0.15 H new ATOM 454 P DC B 15 7.762 -4.060 -17.194 1.00 0.06 P ATOM 455 OP1 DC B 15 9.203 -3.961 -17.521 1.00 0.11 O ATOM 456 OP2 DC B 15 7.333 -4.722 -15.940 1.00 0.07 O ATOM 457 O5' DC B 15 7.125 -2.574 -17.214 1.00 0.11 O ATOM 458 C5' DC B 15 7.337 -1.672 -18.317 1.00 0.14 C ATOM 459 C4' DC B 15 6.967 -0.219 -17.997 1.00 0.13 C ATOM 460 O4' DC B 15 5.572 -0.056 -17.666 1.00 0.13 O ATOM 461 C3' DC B 15 7.792 0.314 -16.833 1.00 0.11 C ATOM 462 O3' DC B 15 8.032 1.724 -16.951 1.00 0.11 O ATOM 463 C2' DC B 15 6.832 -0.016 -15.669 1.00 0.11 C ATOM 464 C1' DC B 15 5.422 0.300 -16.279 1.00 0.10 C ATOM 465 N1 DC B 15 4.214 -0.447 -15.801 1.00 0.09 N ATOM 466 C2 DC B 15 3.057 0.288 -15.524 1.00 0.09 C ATOM 467 O2 DC B 15 2.995 1.509 -15.644 1.00 0.09 O ATOM 468 N3 DC B 15 1.949 -0.369 -15.103 1.00 0.08 N ATOM 469 C4 DC B 15 1.947 -1.692 -14.950 1.00 0.09 C ATOM 470 N4 DC B 15 0.829 -2.276 -14.534 1.00 0.09 N ATOM 471 C5 DC B 15 3.111 -2.472 -15.226 1.00 0.10 C ATOM 472 C6 DC B 15 4.211 -1.814 -15.646 1.00 0.10 C ATOM 0 H5' DC B 15 6.749 -2.009 -19.170 1.00 0.14 H new ATOM 0 H5'' DC B 15 8.385 -1.715 -18.615 1.00 0.14 H new ATOM 0 H4' DC B 15 7.180 0.343 -18.907 1.00 0.13 H new ATOM 0 H3' DC B 15 8.793 -0.107 -16.740 1.00 0.11 H new ATOM 0 H2' DC B 15 6.914 -1.058 -15.360 1.00 0.11 H new ATOM 0 H2'' DC B 15 7.038 0.594 -14.790 1.00 0.11 H new ATOM 0 H1' DC B 15 5.207 1.332 -16.001 1.00 0.10 H new ATOM 0 H41 DC B 15 0.799 -3.288 -14.408 1.00 0.09 H new ATOM 0 H42 DC B 15 0.001 -1.713 -14.341 1.00 0.09 H new ATOM 0 H5 DC B 15 3.111 -3.545 -15.103 1.00 0.10 H new ATOM 0 H6 DC B 15 5.109 -2.372 -15.865 1.00 0.10 H new ATOM 484 P A B 16 8.972 2.523 -15.906 1.00 0.13 P ATOM 485 OP1 A B 16 9.441 3.761 -16.570 1.00 0.17 O ATOM 486 OP2 A B 16 9.962 1.577 -15.343 1.00 0.16 O ATOM 487 O5' A B 16 7.937 2.922 -14.729 1.00 0.10 O ATOM 488 C5' A B 16 7.130 4.108 -14.808 1.00 0.07 C ATOM 489 C4' A B 16 5.942 4.103 -13.849 1.00 0.06 C ATOM 490 O4' A B 16 5.027 3.022 -14.092 1.00 0.06 O ATOM 491 C3' A B 16 6.313 3.914 -12.382 1.00 0.07 C ATOM 492 O3' A B 16 6.974 5.064 -11.808 1.00 0.08 O ATOM 493 C2' A B 16 4.930 3.634 -11.809 1.00 0.07 C ATOM 494 O2' A B 16 4.183 4.814 -11.559 1.00 0.08 O ATOM 495 C1' A B 16 4.152 3.039 -12.953 1.00 0.06 C ATOM 496 N9 A B 16 3.478 1.771 -12.630 1.00 0.05 N ATOM 497 C8 A B 16 3.959 0.502 -12.646 1.00 0.07 C ATOM 498 N7 A B 16 3.037 -0.428 -12.309 1.00 0.07 N ATOM 499 C5 A B 16 1.922 0.311 -12.070 1.00 0.05 C ATOM 500 C6 A B 16 0.618 -0.036 -11.684 1.00 0.06 C ATOM 501 N6 A B 16 0.218 -1.286 -11.478 1.00 0.08 N ATOM 502 N1 A B 16 -0.265 0.958 -11.530 1.00 0.07 N ATOM 503 C2 A B 16 0.107 2.215 -11.743 1.00 0.07 C ATOM 504 N3 A B 16 1.295 2.667 -12.110 1.00 0.06 N ATOM 505 C4 A B 16 2.167 1.646 -12.258 1.00 0.05 C ATOM 0 H5' A B 16 6.763 4.220 -15.828 1.00 0.07 H new ATOM 0 H5'' A B 16 7.754 4.977 -14.596 1.00 0.07 H new ATOM 0 H4' A B 16 5.509 5.086 -14.035 1.00 0.06 H new ATOM 0 H3' A B 16 7.048 3.135 -12.182 1.00 0.07 H new ATOM 0 H2' A B 16 5.058 3.046 -10.900 1.00 0.07 H new ATOM 0 HO2' A B 16 3.687 4.715 -10.720 1.00 0.08 H new ATOM 0 H1' A B 16 3.288 3.658 -13.194 1.00 0.06 H new ATOM 0 H8 A B 16 4.979 0.259 -12.903 1.00 0.07 H new ATOM 0 H61 A B 16 -0.745 -1.474 -11.198 1.00 0.08 H new ATOM 0 H62 A B 16 0.874 -2.058 -11.600 1.00 0.08 H new ATOM 0 H2 A B 16 -0.658 2.964 -11.598 1.00 0.07 H new ATOM 517 P A B 17 7.357 5.191 -10.235 1.00 0.11 P ATOM 518 OP1 A B 17 8.528 6.090 -10.124 1.00 0.14 O ATOM 519 OP2 A B 17 7.433 3.824 -9.669 1.00 0.12 O ATOM 520 O5' A B 17 6.079 5.930 -9.556 1.00 0.11 O ATOM 521 C5' A B 17 5.833 7.341 -9.707 1.00 0.12 C ATOM 522 C4' A B 17 4.396 7.765 -9.367 1.00 0.12 C ATOM 523 O4' A B 17 3.446 7.061 -10.202 1.00 0.10 O ATOM 524 C3' A B 17 3.961 7.500 -7.916 1.00 0.12 C ATOM 525 O3' A B 17 4.345 8.515 -6.971 1.00 0.15 O ATOM 526 C2' A B 17 2.451 7.496 -8.155 1.00 0.11 C ATOM 527 O2' A B 17 1.971 8.804 -8.507 1.00 0.14 O ATOM 528 C1' A B 17 2.354 6.595 -9.386 1.00 0.10 C ATOM 529 N9 A B 17 2.518 5.138 -9.080 1.00 0.08 N ATOM 530 C8 A B 17 3.665 4.378 -8.917 1.00 0.08 C ATOM 531 N7 A B 17 3.406 3.076 -8.681 1.00 0.07 N ATOM 532 C5 A B 17 2.052 3.007 -8.691 1.00 0.06 C ATOM 533 C6 A B 17 1.167 1.935 -8.510 1.00 0.05 C ATOM 534 N6 A B 17 1.567 0.688 -8.286 1.00 0.07 N ATOM 535 N1 A B 17 -0.145 2.189 -8.577 1.00 0.06 N ATOM 536 C2 A B 17 -0.565 3.428 -8.813 1.00 0.08 C ATOM 537 N3 A B 17 0.167 4.516 -9.003 1.00 0.08 N ATOM 538 C4 A B 17 1.489 4.235 -8.929 1.00 0.07 C ATOM 0 H5' A B 17 6.052 7.630 -10.735 1.00 0.12 H new ATOM 0 H5'' A B 17 6.524 7.890 -9.067 1.00 0.12 H new ATOM 0 H4' A B 17 4.400 8.842 -9.535 1.00 0.12 H new ATOM 0 H3' A B 17 4.405 6.612 -7.466 1.00 0.12 H new ATOM 0 H2' A B 17 1.876 7.181 -7.284 1.00 0.11 H new ATOM 0 HO2' A B 17 2.600 9.482 -8.181 1.00 0.14 H new ATOM 0 H1' A B 17 1.371 6.658 -9.854 1.00 0.10 H new ATOM 0 H8 A B 17 4.663 4.786 -8.973 1.00 0.08 H new ATOM 0 H61 A B 17 0.878 -0.054 -8.161 1.00 0.07 H new ATOM 0 H62 A B 17 2.563 0.473 -8.239 1.00 0.07 H new ATOM 0 H2 A B 17 -1.635 3.565 -8.855 1.00 0.08 H new ATOM 550 P A B 18 4.397 8.233 -5.372 1.00 0.15 P ATOM 551 OP1 A B 18 4.780 9.492 -4.695 1.00 0.19 O ATOM 552 OP2 A B 18 5.209 7.013 -5.158 1.00 0.16 O ATOM 553 O5' A B 18 2.874 7.889 -4.958 1.00 0.14 O ATOM 554 C5' A B 18 1.773 8.796 -5.153 1.00 0.15 C ATOM 555 C4' A B 18 0.441 8.044 -5.160 1.00 0.12 C ATOM 556 O4' A B 18 0.558 6.993 -6.141 1.00 0.10 O ATOM 557 C3' A B 18 0.153 7.369 -3.818 1.00 0.10 C ATOM 558 O3' A B 18 -0.596 8.224 -2.929 1.00 0.10 O ATOM 559 C2' A B 18 -0.673 6.188 -4.310 1.00 0.09 C ATOM 560 O2' A B 18 -2.060 6.446 -4.452 1.00 0.10 O ATOM 561 C1' A B 18 -0.036 5.800 -5.619 1.00 0.09 C ATOM 562 N9 A B 18 0.898 4.662 -5.458 1.00 0.08 N ATOM 563 C8 A B 18 2.267 4.620 -5.399 1.00 0.09 C ATOM 564 N7 A B 18 2.754 3.369 -5.288 1.00 0.08 N ATOM 565 C5 A B 18 1.642 2.596 -5.273 1.00 0.06 C ATOM 566 C6 A B 18 1.466 1.216 -5.179 1.00 0.06 C ATOM 567 N6 A B 18 2.494 0.383 -5.100 1.00 0.06 N ATOM 568 N1 A B 18 0.213 0.739 -5.187 1.00 0.06 N ATOM 569 C2 A B 18 -0.806 1.590 -5.286 1.00 0.06 C ATOM 570 N3 A B 18 -0.766 2.906 -5.385 1.00 0.07 N ATOM 571 C4 A B 18 0.508 3.352 -5.372 1.00 0.06 C ATOM 0 H5' A B 18 1.899 9.330 -6.095 1.00 0.15 H new ATOM 0 H5'' A B 18 1.768 9.544 -4.361 1.00 0.15 H new ATOM 0 H4' A B 18 -0.358 8.754 -5.371 1.00 0.12 H new ATOM 0 H3' A B 18 1.033 7.109 -3.229 1.00 0.10 H new ATOM 0 H2' A B 18 -0.658 5.387 -3.571 1.00 0.09 H new ATOM 0 HO2' A B 18 -2.569 5.645 -4.206 1.00 0.10 H new ATOM 0 H1' A B 18 -0.765 5.422 -6.336 1.00 0.09 H new ATOM 0 H8 A B 18 2.891 5.500 -5.438 1.00 0.09 H new ATOM 0 H61 A B 18 2.332 -0.622 -5.032 1.00 0.06 H new ATOM 0 H62 A B 18 3.447 0.747 -5.107 1.00 0.06 H new ATOM 0 H2 A B 18 -1.791 1.147 -5.285 1.00 0.06 H new ATOM 583 P DT B 19 -0.853 7.905 -1.361 1.00 0.08 P ATOM 584 OP1 DT B 19 -1.545 9.070 -0.764 1.00 0.10 O ATOM 585 OP2 DT B 19 0.429 7.442 -0.781 1.00 0.10 O ATOM 586 O5' DT B 19 -1.876 6.653 -1.349 1.00 0.09 O ATOM 587 C5' DT B 19 -3.204 6.710 -1.899 1.00 0.09 C ATOM 588 C4' DT B 19 -3.799 5.307 -2.057 1.00 0.08 C ATOM 589 O4' DT B 19 -2.841 4.493 -2.773 1.00 0.09 O ATOM 590 C3' DT B 19 -4.060 4.661 -0.693 1.00 0.06 C ATOM 591 O3' DT B 19 -5.450 4.363 -0.485 1.00 0.07 O ATOM 592 C2' DT B 19 -3.270 3.329 -0.786 1.00 0.08 C ATOM 593 C1' DT B 19 -2.807 3.167 -2.215 1.00 0.06 C ATOM 594 N1 DT B 19 -1.415 2.650 -2.137 1.00 0.06 N ATOM 595 C2 DT B 19 -1.188 1.300 -2.316 1.00 0.06 C ATOM 596 O2 DT B 19 -2.086 0.490 -2.509 1.00 0.09 O ATOM 597 N3 DT B 19 0.124 0.895 -2.261 1.00 0.06 N ATOM 598 C4 DT B 19 1.216 1.703 -2.051 1.00 0.06 C ATOM 599 C5 DT B 19 0.898 3.103 -1.870 1.00 0.07 C ATOM 600 C6 DT B 19 -0.386 3.512 -1.914 1.00 0.07 C ATOM 601 O4 DT B 19 2.334 1.199 -2.049 1.00 0.07 O ATOM 614 C7 DT B 19 2.024 4.131 -1.659 1.00 0.10 C ATOM 0 H5' DT B 19 -3.178 7.208 -2.868 1.00 0.09 H new ATOM 0 H5'' DT B 19 -3.844 7.308 -1.250 1.00 0.09 H new ATOM 0 H4' DT B 19 -4.745 5.381 -2.593 1.00 0.08 H new ATOM 0 H3' DT B 19 -3.767 5.317 0.127 1.00 0.06 H new ATOM 0 H2' DT B 19 -2.417 3.342 -0.107 1.00 0.08 H new ATOM 0 H2'' DT B 19 -3.900 2.490 -0.491 1.00 0.08 H new ATOM 0 H1' DT B 19 -3.409 2.490 -2.822 1.00 0.06 H new ATOM 0 H3 DT B 19 0.305 -0.101 -2.388 1.00 0.06 H new ATOM 0 H71 DT B 19 1.715 5.097 -2.059 1.00 0.10 H new ATOM 0 H72 DT B 19 2.232 4.229 -0.594 1.00 0.10 H new ATOM 0 H73 DT B 19 2.924 3.796 -2.175 1.00 0.10 H new ATOM 0 H6 DT B 19 -0.605 4.559 -1.767 1.00 0.07 H new ATOM 615 P DT B 20 -6.005 3.781 0.927 1.00 0.07 P ATOM 616 OP1 DT B 20 -7.480 3.915 0.924 1.00 0.11 O ATOM 617 OP2 DT B 20 -5.220 4.400 2.021 1.00 0.09 O ATOM 618 O5' DT B 20 -5.641 2.207 0.875 1.00 0.08 O ATOM 619 C5' DT B 20 -6.223 1.323 -0.098 1.00 0.08 C ATOM 620 C4' DT B 20 -5.773 -0.130 0.084 1.00 0.09 C ATOM 621 O4' DT B 20 -4.353 -0.226 -0.076 1.00 0.09 O ATOM 622 C3' DT B 20 -6.149 -0.740 1.443 1.00 0.10 C ATOM 623 O3' DT B 20 -6.901 -1.947 1.228 1.00 0.10 O ATOM 624 C2' DT B 20 -4.764 -1.005 2.046 1.00 0.12 C ATOM 625 C1' DT B 20 -3.858 -1.182 0.862 1.00 0.10 C ATOM 626 N1 DT B 20 -2.430 -0.857 1.060 1.00 0.08 N ATOM 627 C2 DT B 20 -1.483 -1.851 0.914 1.00 0.07 C ATOM 628 O2 DT B 20 -1.753 -3.025 0.677 1.00 0.11 O ATOM 629 N3 DT B 20 -0.175 -1.455 1.047 1.00 0.07 N ATOM 630 C4 DT B 20 0.266 -0.180 1.306 1.00 0.06 C ATOM 631 C5 DT B 20 -0.784 0.802 1.454 1.00 0.08 C ATOM 632 C6 DT B 20 -2.069 0.427 1.329 1.00 0.08 C ATOM 633 O4 DT B 20 1.471 0.030 1.368 1.00 0.08 O ATOM 646 C7 DT B 20 -0.439 2.274 1.751 1.00 0.10 C ATOM 0 H5' DT B 20 -5.953 1.661 -1.098 1.00 0.08 H new ATOM 0 H5'' DT B 20 -7.309 1.375 -0.027 1.00 0.08 H new ATOM 0 H4' DT B 20 -6.303 -0.697 -0.681 1.00 0.09 H new ATOM 0 H3' DT B 20 -6.776 -0.123 2.086 1.00 0.10 H new ATOM 0 H2' DT B 20 -4.439 -0.174 2.672 1.00 0.12 H new ATOM 0 H2'' DT B 20 -4.770 -1.895 2.676 1.00 0.12 H new ATOM 0 H1' DT B 20 -3.875 -2.236 0.584 1.00 0.10 H new ATOM 0 H3 DT B 20 0.538 -2.177 0.944 1.00 0.07 H new ATOM 0 H71 DT B 20 0.489 2.322 2.320 1.00 0.10 H new ATOM 0 H72 DT B 20 -0.318 2.816 0.813 1.00 0.10 H new ATOM 0 H73 DT B 20 -1.244 2.727 2.330 1.00 0.10 H new ATOM 0 H6 DT B 20 -2.842 1.172 1.446 1.00 0.08 H new ATOM 647 P DT B 21 -7.743 -2.713 2.381 1.00 0.09 P ATOM 648 OP1 DT B 21 -8.709 -3.616 1.713 1.00 0.11 O ATOM 649 OP2 DT B 21 -8.240 -1.704 3.346 1.00 0.11 O ATOM 650 O5' DT B 21 -6.636 -3.619 3.138 1.00 0.12 O ATOM 651 C5' DT B 21 -6.026 -4.779 2.540 1.00 0.09 C ATOM 652 C4' DT B 21 -4.692 -5.144 3.209 1.00 0.08 C ATOM 653 O4' DT B 21 -3.785 -4.039 3.117 1.00 0.11 O ATOM 654 C3' DT B 21 -4.815 -5.486 4.700 1.00 0.10 C ATOM 655 O3' DT B 21 -4.686 -6.904 4.910 1.00 0.12 O ATOM 656 C2' DT B 21 -3.660 -4.670 5.307 1.00 0.12 C ATOM 657 C1' DT B 21 -2.808 -4.289 4.124 1.00 0.11 C ATOM 658 N1 DT B 21 -2.002 -3.056 4.258 1.00 0.07 N ATOM 659 C2 DT B 21 -0.645 -3.134 4.012 1.00 0.08 C ATOM 660 O2 DT B 21 -0.057 -4.171 3.724 1.00 0.09 O ATOM 661 N3 DT B 21 0.049 -1.957 4.108 1.00 0.08 N ATOM 662 C4 DT B 21 -0.461 -0.725 4.419 1.00 0.07 C ATOM 663 C5 DT B 21 -1.889 -0.722 4.666 1.00 0.08 C ATOM 664 C6 DT B 21 -2.596 -1.867 4.582 1.00 0.08 C ATOM 665 O4 DT B 21 0.301 0.236 4.448 1.00 0.09 O ATOM 678 C7 DT B 21 -2.615 0.585 5.009 1.00 0.09 C ATOM 0 H5' DT B 21 -5.859 -4.593 1.479 1.00 0.09 H new ATOM 0 H5'' DT B 21 -6.710 -5.625 2.612 1.00 0.09 H new ATOM 0 H4' DT B 21 -4.338 -6.028 2.678 1.00 0.08 H new ATOM 0 H3' DT B 21 -5.777 -5.243 5.151 1.00 0.10 H new ATOM 0 H2' DT B 21 -4.029 -3.788 5.831 1.00 0.12 H new ATOM 0 H2'' DT B 21 -3.095 -5.258 6.030 1.00 0.12 H new ATOM 0 H1' DT B 21 -2.074 -5.075 3.948 1.00 0.11 H new ATOM 0 H3 DT B 21 1.052 -2.003 3.929 1.00 0.08 H new ATOM 0 H71 DT B 21 -1.931 1.255 5.531 1.00 0.09 H new ATOM 0 H72 DT B 21 -2.960 1.061 4.091 1.00 0.09 H new ATOM 0 H73 DT B 21 -3.470 0.369 5.649 1.00 0.09 H new ATOM 0 H6 DT B 21 -3.658 -1.845 4.775 1.00 0.08 H new ATOM 679 P DG B 22 -4.635 -7.593 6.373 1.00 0.13 P ATOM 680 OP1 DG B 22 -4.913 -9.040 6.216 1.00 0.18 O ATOM 681 OP2 DG B 22 -5.459 -6.782 7.300 1.00 0.15 O ATOM 682 O5' DG B 22 -3.083 -7.402 6.777 1.00 0.13 O ATOM 683 C5' DG B 22 -2.043 -8.186 6.167 1.00 0.13 C ATOM 684 C4' DG B 22 -0.643 -7.794 6.645 1.00 0.13 C ATOM 685 O4' DG B 22 -0.238 -6.463 6.257 1.00 0.12 O ATOM 686 C3' DG B 22 -0.498 -7.875 8.171 1.00 0.13 C ATOM 687 O3' DG B 22 0.495 -8.851 8.524 1.00 0.14 O ATOM 688 C2' DG B 22 -0.075 -6.447 8.491 1.00 0.10 C ATOM 689 C1' DG B 22 0.677 -6.008 7.264 1.00 0.11 C ATOM 690 N9 DG B 22 0.865 -4.549 7.201 1.00 0.10 N ATOM 691 C8 DG B 22 -0.084 -3.582 7.216 1.00 0.10 C ATOM 692 N7 DG B 22 0.415 -2.329 7.116 1.00 0.10 N ATOM 693 C5 DG B 22 1.756 -2.535 7.035 1.00 0.08 C ATOM 694 C6 DG B 22 2.820 -1.596 6.914 1.00 0.08 C ATOM 695 O6 DG B 22 2.789 -0.371 6.841 1.00 0.08 O ATOM 696 N1 DG B 22 4.046 -2.215 6.865 1.00 0.06 N ATOM 697 C2 DG B 22 4.251 -3.569 6.924 1.00 0.08 C ATOM 698 N2 DG B 22 5.506 -3.984 6.863 1.00 0.08 N ATOM 699 N3 DG B 22 3.272 -4.462 7.035 1.00 0.07 N ATOM 700 C4 DG B 22 2.054 -3.878 7.086 1.00 0.08 C ATOM 0 H5' DG B 22 -2.097 -8.072 5.084 1.00 0.13 H new ATOM 0 H5'' DG B 22 -2.214 -9.240 6.386 1.00 0.13 H new ATOM 0 H4' DG B 22 0.000 -8.524 6.153 1.00 0.13 H new ATOM 0 H3' DG B 22 -1.386 -8.191 8.718 1.00 0.13 H new ATOM 0 H2' DG B 22 -0.937 -5.808 8.681 1.00 0.10 H new ATOM 0 H2'' DG B 22 0.554 -6.406 9.381 1.00 0.10 H new ATOM 0 H1' DG B 22 1.694 -6.393 7.193 1.00 0.11 H new ATOM 0 H8 DG B 22 -1.140 -3.792 7.300 1.00 0.10 H new ATOM 0 H1 DG B 22 4.869 -1.619 6.778 1.00 0.06 H new ATOM 0 H21 DG B 22 5.716 -4.981 6.903 1.00 0.08 H new ATOM 0 H22 DG B 22 6.264 -3.306 6.776 1.00 0.08 H new ATOM 712 P DC B 23 0.873 -9.226 10.049 1.00 0.14 P ATOM 713 OP1 DC B 23 1.523 -10.556 10.049 1.00 0.17 O ATOM 714 OP2 DC B 23 -0.319 -8.995 10.898 1.00 0.15 O ATOM 715 O5' DC B 23 1.981 -8.116 10.425 1.00 0.12 O ATOM 716 C5' DC B 23 3.326 -8.165 9.915 1.00 0.11 C ATOM 717 C4' DC B 23 4.161 -6.979 10.403 1.00 0.10 C ATOM 718 O4' DC B 23 3.620 -5.729 9.949 1.00 0.11 O ATOM 719 C3' DC B 23 4.227 -6.916 11.934 1.00 0.09 C ATOM 720 O3' DC B 23 5.567 -7.158 12.390 1.00 0.09 O ATOM 721 C2' DC B 23 3.782 -5.462 12.198 1.00 0.10 C ATOM 722 C1' DC B 23 4.051 -4.746 10.891 1.00 0.09 C ATOM 723 N1 DC B 23 3.276 -3.506 10.622 1.00 0.09 N ATOM 724 C2 DC B 23 3.962 -2.348 10.283 1.00 0.08 C ATOM 725 O2 DC B 23 5.187 -2.297 10.244 1.00 0.10 O ATOM 726 N3 DC B 23 3.249 -1.232 9.995 1.00 0.09 N ATOM 727 C4 DC B 23 1.916 -1.232 10.033 1.00 0.10 C ATOM 728 N4 DC B 23 1.280 -0.105 9.730 1.00 0.13 N ATOM 729 C5 DC B 23 1.186 -2.411 10.384 1.00 0.11 C ATOM 730 C6 DC B 23 1.909 -3.516 10.669 1.00 0.10 C ATOM 0 H5' DC B 23 3.302 -8.169 8.825 1.00 0.11 H new ATOM 0 H5'' DC B 23 3.800 -9.096 10.227 1.00 0.11 H new ATOM 0 H4' DC B 23 5.158 -7.134 9.991 1.00 0.10 H new ATOM 0 H3' DC B 23 3.618 -7.658 12.450 1.00 0.09 H new ATOM 0 H2' DC B 23 2.728 -5.412 12.470 1.00 0.10 H new ATOM 0 H2'' DC B 23 4.344 -5.017 13.019 1.00 0.10 H new ATOM 0 H1' DC B 23 5.087 -4.407 10.868 1.00 0.09 H new ATOM 0 H41 DC B 23 0.261 -0.073 9.750 1.00 0.13 H new ATOM 0 H42 DC B 23 1.811 0.728 9.477 1.00 0.13 H new ATOM 0 H5 DC B 23 0.107 -2.417 10.420 1.00 0.11 H new ATOM 0 H6 DC B 23 1.396 -4.427 10.940 1.00 0.10 H new ATOM 742 P DG B 24 5.954 -7.200 13.960 1.00 0.11 P ATOM 743 OP1 DG B 24 7.202 -7.982 14.112 1.00 0.13 O ATOM 744 OP2 DG B 24 4.751 -7.580 14.737 1.00 0.11 O ATOM 745 O5' DG B 24 6.277 -5.645 14.266 1.00 0.13 O ATOM 746 C5' DG B 24 7.539 -5.065 13.899 1.00 0.15 C ATOM 747 C4' DG B 24 7.626 -3.564 14.185 1.00 0.15 C ATOM 748 O4' DG B 24 6.720 -2.785 13.359 1.00 0.13 O ATOM 749 C3' DG B 24 7.321 -3.206 15.655 1.00 0.18 C ATOM 750 O3' DG B 24 8.242 -2.210 16.120 1.00 0.22 O ATOM 751 C2' DG B 24 5.950 -2.586 15.488 1.00 0.17 C ATOM 752 C1' DG B 24 6.122 -1.801 14.210 1.00 0.12 C ATOM 753 N9 DG B 24 4.923 -1.148 13.660 1.00 0.10 N ATOM 754 C8 DG B 24 3.646 -1.595 13.543 1.00 0.11 C ATOM 755 N7 DG B 24 2.809 -0.701 12.974 1.00 0.10 N ATOM 756 C5 DG B 24 3.615 0.364 12.726 1.00 0.09 C ATOM 757 C6 DG B 24 3.312 1.620 12.137 1.00 0.09 C ATOM 758 O6 DG B 24 2.251 2.053 11.698 1.00 0.11 O ATOM 759 N1 DG B 24 4.421 2.429 12.071 1.00 0.07 N ATOM 760 C2 DG B 24 5.675 2.097 12.508 1.00 0.07 C ATOM 761 N2 DG B 24 6.615 3.014 12.359 1.00 0.06 N ATOM 762 N3 DG B 24 5.981 0.927 13.058 1.00 0.08 N ATOM 763 C4 DG B 24 4.903 0.112 13.136 1.00 0.08 C ATOM 0 H5' DG B 24 7.713 -5.235 12.837 1.00 0.15 H new ATOM 0 H5'' DG B 24 8.336 -5.577 14.439 1.00 0.15 H new ATOM 0 H4' DG B 24 8.661 -3.314 13.953 1.00 0.15 H new ATOM 0 H3' DG B 24 7.384 -4.036 16.358 1.00 0.18 H new ATOM 0 H2' DG B 24 5.168 -3.340 15.403 1.00 0.17 H new ATOM 0 H2'' DG B 24 5.685 -1.945 16.329 1.00 0.17 H new ATOM 0 HO3' DG B 24 8.040 -1.988 17.053 1.00 0.22 H new ATOM 0 H1' DG B 24 6.723 -0.903 14.353 1.00 0.12 H new ATOM 0 H8 DG B 24 3.330 -2.573 13.874 1.00 0.11 H new ATOM 0 H1 DG B 24 4.299 3.355 11.662 1.00 0.07 H new ATOM 0 H21 DG B 24 7.568 2.822 12.667 1.00 0.06 H new ATOM 0 H22 DG B 24 6.387 3.914 11.936 1.00 0.06 H new TER 776 DG B 24