USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 133 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 G O2' : rot -16:sc= 0.194 USER MOD Single : A 1 G O5' : rot 180:sc= -1.28 USER MOD Single : A 2 G O2' : rot -17:sc= 0.219 USER MOD Single : A 3 G O2' : rot -16:sc= 0.199 USER MOD Single : A 4 C O2' : rot -13:sc= -0.0547 USER MOD Single : A 5 G O2' : rot -27:sc= 1.22 USER MOD Single : A 6 C O2' : rot -26:sc= 0.263 USER MOD Single : A 7 A O2' : rot -17:sc= 0.22 USER MOD Single : A 8 A O2' : rot -16:sc= 0.268 USER MOD Single : A 9 G O2' : rot 1:sc= -0.97 USER MOD Single : A 10 C O2' : rot -9:sc= -0.963 USER MOD Single : A 11 C O2' : rot -14:sc= -0.71 USER MOD Single : A 12 U O2' : rot -25:sc= 0.112 USER MOD Single : A 12 U O3' : rot 180:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.449 -4.473 -2.422 1.00 0.00 O ATOM 2 C5' G A 1 -11.889 -5.149 -3.605 1.00 0.00 C ATOM 3 C4' G A 1 -11.708 -4.283 -4.851 1.00 0.00 C ATOM 4 O4' G A 1 -12.418 -3.038 -4.734 1.00 0.00 O ATOM 5 C3' G A 1 -10.248 -3.899 -5.052 1.00 0.00 C ATOM 6 O3' G A 1 -9.617 -4.875 -5.890 1.00 0.00 O ATOM 7 C2' G A 1 -10.375 -2.602 -5.822 1.00 0.00 C ATOM 8 O2' G A 1 -10.674 -2.831 -7.205 1.00 0.00 O ATOM 9 C1' G A 1 -11.540 -1.956 -5.094 1.00 0.00 C ATOM 10 N9 G A 1 -11.065 -1.233 -3.900 1.00 0.00 N ATOM 11 C8 G A 1 -11.168 -1.568 -2.594 1.00 0.00 C ATOM 12 N7 G A 1 -10.641 -0.770 -1.726 1.00 0.00 N ATOM 13 C5 G A 1 -10.113 0.231 -2.547 1.00 0.00 C ATOM 14 C6 G A 1 -9.396 1.409 -2.205 1.00 0.00 C ATOM 15 O6 G A 1 -9.080 1.817 -1.089 1.00 0.00 O ATOM 16 N1 G A 1 -9.047 2.136 -3.332 1.00 0.00 N ATOM 17 C2 G A 1 -9.346 1.784 -4.629 1.00 0.00 C ATOM 18 N2 G A 1 -8.921 2.613 -5.576 1.00 0.00 N ATOM 19 N3 G A 1 -10.018 0.682 -4.963 1.00 0.00 N ATOM 20 C4 G A 1 -10.370 -0.047 -3.881 1.00 0.00 C ATOM 0 H5' G A 1 -12.939 -5.420 -3.500 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.330 -6.077 -3.723 1.00 0.00 H new ATOM 0 H4' G A 1 -12.084 -4.881 -5.681 1.00 0.00 H new ATOM 0 H3' G A 1 -9.671 -3.826 -4.130 1.00 0.00 H new ATOM 0 H2' G A 1 -9.467 -2.000 -5.846 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.485 -3.766 -7.430 1.00 0.00 H new ATOM 0 HO5' G A 1 -11.581 -5.055 -1.645 1.00 0.00 H new ATOM 0 H1' G A 1 -12.053 -1.221 -5.715 1.00 0.00 H new ATOM 0 H8 G A 1 -11.674 -2.472 -2.287 1.00 0.00 H new ATOM 0 H1 G A 1 -8.527 3.002 -3.189 1.00 0.00 H new ATOM 0 H21 G A 1 -9.111 2.407 -6.557 1.00 0.00 H new ATOM 0 H22 G A 1 -8.404 3.455 -5.322 1.00 0.00 H new ATOM 33 P G A 2 -8.044 -5.196 -5.731 1.00 0.00 P ATOM 34 OP1 G A 2 -7.680 -6.224 -6.733 1.00 0.00 O ATOM 35 OP2 G A 2 -7.761 -5.431 -4.298 1.00 0.00 O ATOM 36 O5' G A 2 -7.352 -3.804 -6.160 1.00 0.00 O ATOM 37 C5' G A 2 -7.327 -3.391 -7.532 1.00 0.00 C ATOM 38 C4' G A 2 -6.835 -1.953 -7.686 1.00 0.00 C ATOM 39 O4' G A 2 -7.625 -1.041 -6.911 1.00 0.00 O ATOM 40 C3' G A 2 -5.417 -1.786 -7.162 1.00 0.00 C ATOM 41 O3' G A 2 -4.489 -2.076 -8.216 1.00 0.00 O ATOM 42 C2' G A 2 -5.373 -0.301 -6.869 1.00 0.00 C ATOM 43 O2' G A 2 -5.150 0.472 -8.055 1.00 0.00 O ATOM 44 C1' G A 2 -6.761 -0.064 -6.296 1.00 0.00 C ATOM 45 N9 G A 2 -6.740 -0.207 -4.830 1.00 0.00 N ATOM 46 C8 G A 2 -7.320 -1.142 -4.045 1.00 0.00 C ATOM 47 N7 G A 2 -7.143 -1.050 -2.770 1.00 0.00 N ATOM 48 C5 G A 2 -6.338 0.090 -2.678 1.00 0.00 C ATOM 49 C6 G A 2 -5.786 0.729 -1.536 1.00 0.00 C ATOM 50 O6 G A 2 -5.905 0.420 -0.354 1.00 0.00 O ATOM 51 N1 G A 2 -5.035 1.840 -1.888 1.00 0.00 N ATOM 52 C2 G A 2 -4.836 2.286 -3.175 1.00 0.00 C ATOM 53 N2 G A 2 -4.065 3.357 -3.311 1.00 0.00 N ATOM 54 N3 G A 2 -5.351 1.698 -4.254 1.00 0.00 N ATOM 55 C4 G A 2 -6.087 0.610 -3.937 1.00 0.00 C ATOM 0 H5' G A 2 -8.327 -3.480 -7.956 1.00 0.00 H new ATOM 0 H5'' G A 2 -6.680 -4.059 -8.100 1.00 0.00 H new ATOM 0 H4' G A 2 -6.899 -1.741 -8.753 1.00 0.00 H new ATOM 0 H3' G A 2 -5.172 -2.426 -6.314 1.00 0.00 H new ATOM 0 H2' G A 2 -4.561 -0.006 -6.204 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.803 -0.109 -8.764 1.00 0.00 H new ATOM 0 H1' G A 2 -7.117 0.945 -6.504 1.00 0.00 H new ATOM 0 H8 G A 2 -7.912 -1.939 -4.470 1.00 0.00 H new ATOM 0 H1 G A 2 -4.596 2.368 -1.134 1.00 0.00 H new ATOM 0 H21 G A 2 -3.879 3.737 -4.239 1.00 0.00 H new ATOM 0 H22 G A 2 -3.658 3.801 -2.487 1.00 0.00 H new ATOM 67 P G A 3 -3.029 -2.675 -7.881 1.00 0.00 P ATOM 68 OP1 G A 3 -2.481 -3.278 -9.118 1.00 0.00 O ATOM 69 OP2 G A 3 -3.130 -3.487 -6.648 1.00 0.00 O ATOM 70 O5' G A 3 -2.174 -1.349 -7.542 1.00 0.00 O ATOM 71 C5' G A 3 -1.784 -0.445 -8.584 1.00 0.00 C ATOM 72 C4' G A 3 -1.211 0.859 -8.026 1.00 0.00 C ATOM 73 O4' G A 3 -2.135 1.505 -7.137 1.00 0.00 O ATOM 74 C3' G A 3 0.037 0.612 -7.191 1.00 0.00 C ATOM 75 O3' G A 3 1.188 0.644 -8.047 1.00 0.00 O ATOM 76 C2' G A 3 0.053 1.840 -6.305 1.00 0.00 C ATOM 77 O2' G A 3 0.543 2.990 -7.006 1.00 0.00 O ATOM 78 C1' G A 3 -1.427 1.976 -5.974 1.00 0.00 C ATOM 79 N9 G A 3 -1.777 1.181 -4.781 1.00 0.00 N ATOM 80 C8 G A 3 -2.407 -0.016 -4.694 1.00 0.00 C ATOM 81 N7 G A 3 -2.604 -0.505 -3.517 1.00 0.00 N ATOM 82 C5 G A 3 -2.038 0.480 -2.702 1.00 0.00 C ATOM 83 C6 G A 3 -1.932 0.539 -1.288 1.00 0.00 C ATOM 84 O6 G A 3 -2.321 -0.279 -0.461 1.00 0.00 O ATOM 85 N1 G A 3 -1.294 1.698 -0.872 1.00 0.00 N ATOM 86 C2 G A 3 -0.814 2.682 -1.708 1.00 0.00 C ATOM 87 N2 G A 3 -0.225 3.718 -1.120 1.00 0.00 N ATOM 88 N3 G A 3 -0.910 2.638 -3.038 1.00 0.00 N ATOM 89 C4 G A 3 -1.529 1.516 -3.468 1.00 0.00 C ATOM 0 H5' G A 3 -2.646 -0.223 -9.213 1.00 0.00 H new ATOM 0 H5'' G A 3 -1.041 -0.925 -9.221 1.00 0.00 H new ATOM 0 H4' G A 3 -0.995 1.474 -8.900 1.00 0.00 H new ATOM 0 H3' G A 3 0.044 -0.338 -6.656 1.00 0.00 H new ATOM 0 H2' G A 3 0.704 1.758 -5.435 1.00 0.00 H new ATOM 0 HO2' G A 3 1.004 2.704 -7.822 1.00 0.00 H new ATOM 0 H1' G A 3 -1.690 3.008 -5.740 1.00 0.00 H new ATOM 0 H8 G A 3 -2.733 -0.542 -5.579 1.00 0.00 H new ATOM 0 H1 G A 3 -1.171 1.832 0.132 1.00 0.00 H new ATOM 0 H21 G A 3 0.151 4.479 -1.685 1.00 0.00 H new ATOM 0 H22 G A 3 -0.149 3.752 -0.103 1.00 0.00 H new ATOM 101 P C A 4 2.553 -0.099 -7.617 1.00 0.00 P ATOM 102 OP1 C A 4 3.540 0.079 -8.705 1.00 0.00 O ATOM 103 OP2 C A 4 2.211 -1.460 -7.146 1.00 0.00 O ATOM 104 O5' C A 4 3.041 0.765 -6.346 1.00 0.00 O ATOM 105 C5' C A 4 3.716 2.016 -6.523 1.00 0.00 C ATOM 106 C4' C A 4 4.026 2.688 -5.186 1.00 0.00 C ATOM 107 O4' C A 4 2.831 2.917 -4.424 1.00 0.00 O ATOM 108 C3' C A 4 4.900 1.805 -4.310 1.00 0.00 C ATOM 109 O3' C A 4 6.276 2.099 -4.586 1.00 0.00 O ATOM 110 C2' C A 4 4.555 2.312 -2.923 1.00 0.00 C ATOM 111 O2' C A 4 5.238 3.536 -2.619 1.00 0.00 O ATOM 112 C1' C A 4 3.053 2.528 -3.056 1.00 0.00 C ATOM 113 N1 C A 4 2.301 1.298 -2.721 1.00 0.00 N ATOM 114 C2 C A 4 1.901 1.127 -1.403 1.00 0.00 C ATOM 115 O2 C A 4 2.195 1.963 -0.551 1.00 0.00 O ATOM 116 N3 C A 4 1.189 0.013 -1.085 1.00 0.00 N ATOM 117 C4 C A 4 0.882 -0.897 -2.015 1.00 0.00 C ATOM 118 N4 C A 4 0.180 -1.971 -1.664 1.00 0.00 N ATOM 119 C5 C A 4 1.293 -0.731 -3.373 1.00 0.00 C ATOM 120 C6 C A 4 1.997 0.375 -3.681 1.00 0.00 C ATOM 0 H5' C A 4 3.099 2.679 -7.129 1.00 0.00 H new ATOM 0 H5'' C A 4 4.644 1.854 -7.072 1.00 0.00 H new ATOM 0 H4' C A 4 4.526 3.623 -5.438 1.00 0.00 H new ATOM 0 H3' C A 4 4.750 0.734 -4.449 1.00 0.00 H new ATOM 0 H2' C A 4 4.843 1.637 -2.117 1.00 0.00 H new ATOM 0 HO2' C A 4 5.949 3.686 -3.276 1.00 0.00 H new ATOM 0 H1' C A 4 2.701 3.292 -2.363 1.00 0.00 H new ATOM 0 H41 C A 4 -0.061 -2.673 -2.363 1.00 0.00 H new ATOM 0 H42 C A 4 -0.117 -2.092 -0.696 1.00 0.00 H new ATOM 0 H5 C A 4 1.048 -1.466 -4.126 1.00 0.00 H new ATOM 0 H6 C A 4 2.325 0.534 -4.698 1.00 0.00 H new ATOM 132 P G A 5 7.426 1.012 -4.285 1.00 0.00 P ATOM 133 OP1 G A 5 8.740 1.644 -4.540 1.00 0.00 O ATOM 134 OP2 G A 5 7.065 -0.247 -4.976 1.00 0.00 O ATOM 135 O5' G A 5 7.275 0.773 -2.699 1.00 0.00 O ATOM 136 C5' G A 5 7.803 1.719 -1.762 1.00 0.00 C ATOM 137 C4' G A 5 7.437 1.352 -0.325 1.00 0.00 C ATOM 138 O4' G A 5 6.015 1.355 -0.129 1.00 0.00 O ATOM 139 C3' G A 5 7.897 -0.060 0.016 1.00 0.00 C ATOM 140 O3' G A 5 9.209 0.007 0.589 1.00 0.00 O ATOM 141 C2' G A 5 6.916 -0.457 1.099 1.00 0.00 C ATOM 142 O2' G A 5 7.292 0.091 2.371 1.00 0.00 O ATOM 143 C1' G A 5 5.625 0.164 0.577 1.00 0.00 C ATOM 144 N9 G A 5 4.902 -0.767 -0.311 1.00 0.00 N ATOM 145 C8 G A 5 4.931 -0.882 -1.663 1.00 0.00 C ATOM 146 N7 G A 5 4.202 -1.802 -2.201 1.00 0.00 N ATOM 147 C5 G A 5 3.606 -2.385 -1.078 1.00 0.00 C ATOM 148 C6 G A 5 2.689 -3.467 -0.988 1.00 0.00 C ATOM 149 O6 G A 5 2.205 -4.136 -1.896 1.00 0.00 O ATOM 150 N1 G A 5 2.345 -3.733 0.328 1.00 0.00 N ATOM 151 C2 G A 5 2.818 -3.048 1.425 1.00 0.00 C ATOM 152 N2 G A 5 2.364 -3.442 2.605 1.00 0.00 N ATOM 153 N3 G A 5 3.677 -2.033 1.354 1.00 0.00 N ATOM 154 C4 G A 5 4.030 -1.754 0.081 1.00 0.00 C ATOM 0 H5' G A 5 7.420 2.713 -1.993 1.00 0.00 H new ATOM 0 H5'' G A 5 8.888 1.764 -1.862 1.00 0.00 H new ATOM 0 H4' G A 5 7.925 2.095 0.305 1.00 0.00 H new ATOM 0 H3' G A 5 7.930 -0.740 -0.836 1.00 0.00 H new ATOM 0 H2' G A 5 6.851 -1.531 1.274 1.00 0.00 H new ATOM 0 HO2' G A 5 8.262 0.229 2.394 1.00 0.00 H new ATOM 0 H1' G A 5 4.941 0.393 1.394 1.00 0.00 H new ATOM 0 H8 G A 5 5.542 -0.228 -2.267 1.00 0.00 H new ATOM 0 H1 G A 5 1.690 -4.496 0.497 1.00 0.00 H new ATOM 0 H21 G A 5 2.678 -2.973 3.455 1.00 0.00 H new ATOM 0 H22 G A 5 1.700 -4.214 2.664 1.00 0.00 H new ATOM 166 P C A 6 10.459 -0.721 -0.123 1.00 0.00 P ATOM 167 OP1 C A 6 11.677 -0.417 0.661 1.00 0.00 O ATOM 168 OP2 C A 6 10.416 -0.410 -1.570 1.00 0.00 O ATOM 169 O5' C A 6 10.113 -2.284 0.074 1.00 0.00 O ATOM 170 C5' C A 6 10.272 -3.214 -1.006 1.00 0.00 C ATOM 171 C4' C A 6 10.091 -4.660 -0.541 1.00 0.00 C ATOM 172 O4' C A 6 11.029 -5.002 0.488 1.00 0.00 O ATOM 173 C3' C A 6 8.719 -4.874 0.078 1.00 0.00 C ATOM 174 O3' C A 6 7.803 -5.272 -0.950 1.00 0.00 O ATOM 175 C2' C A 6 8.968 -6.057 0.991 1.00 0.00 C ATOM 176 O2' C A 6 8.957 -7.293 0.266 1.00 0.00 O ATOM 177 C1' C A 6 10.357 -5.736 1.529 1.00 0.00 C ATOM 178 N1 C A 6 10.281 -4.946 2.778 1.00 0.00 N ATOM 179 C2 C A 6 10.330 -5.639 3.980 1.00 0.00 C ATOM 180 O2 C A 6 10.428 -6.864 3.984 1.00 0.00 O ATOM 181 N3 C A 6 10.267 -4.928 5.138 1.00 0.00 N ATOM 182 C4 C A 6 10.160 -3.596 5.121 1.00 0.00 C ATOM 183 N4 C A 6 10.102 -2.935 6.275 1.00 0.00 N ATOM 184 C5 C A 6 10.108 -2.875 3.887 1.00 0.00 C ATOM 185 C6 C A 6 10.171 -3.585 2.746 1.00 0.00 C ATOM 0 H5' C A 6 11.262 -3.095 -1.446 1.00 0.00 H new ATOM 0 H5'' C A 6 9.547 -2.990 -1.788 1.00 0.00 H new ATOM 0 H4' C A 6 10.232 -5.274 -1.431 1.00 0.00 H new ATOM 0 H3' C A 6 8.310 -3.996 0.577 1.00 0.00 H new ATOM 0 H2' C A 6 8.211 -6.189 1.764 1.00 0.00 H new ATOM 0 HO2' C A 6 8.407 -7.195 -0.539 1.00 0.00 H new ATOM 0 H1' C A 6 10.900 -6.647 1.783 1.00 0.00 H new ATOM 0 H41 C A 6 10.020 -1.918 6.277 1.00 0.00 H new ATOM 0 H42 C A 6 10.139 -3.445 7.157 1.00 0.00 H new ATOM 0 H5 C A 6 10.021 -1.799 3.872 1.00 0.00 H new ATOM 0 H6 C A 6 10.134 -3.074 1.795 1.00 0.00 H new ATOM 197 P A A 7 6.277 -4.758 -0.922 1.00 0.00 P ATOM 198 OP1 A A 7 5.556 -5.369 -2.062 1.00 0.00 O ATOM 199 OP2 A A 7 6.296 -3.289 -0.758 1.00 0.00 O ATOM 200 O5' A A 7 5.717 -5.411 0.443 1.00 0.00 O ATOM 201 C5' A A 7 5.498 -6.824 0.544 1.00 0.00 C ATOM 202 C4' A A 7 5.457 -7.293 2.000 1.00 0.00 C ATOM 203 O4' A A 7 6.655 -6.916 2.698 1.00 0.00 O ATOM 204 C3' A A 7 4.304 -6.651 2.768 1.00 0.00 C ATOM 205 O3' A A 7 3.186 -7.553 2.739 1.00 0.00 O ATOM 206 C2' A A 7 4.852 -6.596 4.183 1.00 0.00 C ATOM 207 O2' A A 7 4.711 -7.856 4.854 1.00 0.00 O ATOM 208 C1' A A 7 6.315 -6.261 3.928 1.00 0.00 C ATOM 209 N9 A A 7 6.530 -4.803 3.832 1.00 0.00 N ATOM 210 C8 A A 7 6.563 -4.002 2.738 1.00 0.00 C ATOM 211 N7 A A 7 6.796 -2.748 2.923 1.00 0.00 N ATOM 212 C5 A A 7 6.938 -2.690 4.312 1.00 0.00 C ATOM 213 C6 A A 7 7.204 -1.638 5.192 1.00 0.00 C ATOM 214 N6 A A 7 7.382 -0.382 4.790 1.00 0.00 N ATOM 215 N1 A A 7 7.279 -1.930 6.502 1.00 0.00 N ATOM 216 C2 A A 7 7.103 -3.184 6.925 1.00 0.00 C ATOM 217 N3 A A 7 6.847 -4.255 6.180 1.00 0.00 N ATOM 218 C4 A A 7 6.777 -3.936 4.872 1.00 0.00 C ATOM 0 H5' A A 7 6.291 -7.353 0.015 1.00 0.00 H new ATOM 0 H5'' A A 7 4.560 -7.082 0.053 1.00 0.00 H new ATOM 0 H4' A A 7 5.342 -8.376 1.959 1.00 0.00 H new ATOM 0 H3' A A 7 3.982 -5.686 2.378 1.00 0.00 H new ATOM 0 H2' A A 7 4.338 -5.885 4.830 1.00 0.00 H new ATOM 0 HO2' A A 7 4.056 -8.408 4.378 1.00 0.00 H new ATOM 0 H1' A A 7 6.945 -6.599 4.751 1.00 0.00 H new ATOM 0 H8 A A 7 6.400 -4.401 1.748 1.00 0.00 H new ATOM 0 H61 A A 7 7.574 0.350 5.474 1.00 0.00 H new ATOM 0 H62 A A 7 7.326 -0.151 3.798 1.00 0.00 H new ATOM 0 H2 A A 7 7.177 -3.346 7.990 1.00 0.00 H new ATOM 230 P A A 8 1.718 -7.083 3.217 1.00 0.00 P ATOM 231 OP1 A A 8 0.775 -8.198 2.973 1.00 0.00 O ATOM 232 OP2 A A 8 1.445 -5.748 2.634 1.00 0.00 O ATOM 233 O5' A A 8 1.893 -6.916 4.811 1.00 0.00 O ATOM 234 C5' A A 8 1.183 -5.895 5.521 1.00 0.00 C ATOM 235 C4' A A 8 1.686 -5.744 6.956 1.00 0.00 C ATOM 236 O4' A A 8 3.112 -5.560 6.996 1.00 0.00 O ATOM 237 C3' A A 8 1.079 -4.505 7.613 1.00 0.00 C ATOM 238 O3' A A 8 -0.019 -4.906 8.443 1.00 0.00 O ATOM 239 C2' A A 8 2.202 -4.009 8.503 1.00 0.00 C ATOM 240 O2' A A 8 2.234 -4.704 9.756 1.00 0.00 O ATOM 241 C1' A A 8 3.416 -4.322 7.652 1.00 0.00 C ATOM 242 N9 A A 8 3.656 -3.251 6.671 1.00 0.00 N ATOM 243 C8 A A 8 3.474 -3.264 5.335 1.00 0.00 C ATOM 244 N7 A A 8 3.730 -2.181 4.683 1.00 0.00 N ATOM 245 C5 A A 8 4.137 -1.327 5.713 1.00 0.00 C ATOM 246 C6 A A 8 4.559 0.005 5.728 1.00 0.00 C ATOM 247 N6 A A 8 4.649 0.753 4.631 1.00 0.00 N ATOM 248 N1 A A 8 4.886 0.538 6.917 1.00 0.00 N ATOM 249 C2 A A 8 4.803 -0.195 8.030 1.00 0.00 C ATOM 250 N3 A A 8 4.416 -1.463 8.131 1.00 0.00 N ATOM 251 C4 A A 8 4.095 -1.973 6.927 1.00 0.00 C ATOM 0 H5' A A 8 0.119 -6.133 5.532 1.00 0.00 H new ATOM 0 H5'' A A 8 1.291 -4.946 4.996 1.00 0.00 H new ATOM 0 H4' A A 8 1.398 -6.656 7.479 1.00 0.00 H new ATOM 0 H3' A A 8 0.718 -3.765 6.899 1.00 0.00 H new ATOM 0 H2' A A 8 2.117 -2.960 8.786 1.00 0.00 H new ATOM 0 HO2' A A 8 1.385 -5.174 9.891 1.00 0.00 H new ATOM 0 H1' A A 8 4.323 -4.397 8.252 1.00 0.00 H new ATOM 0 H8 A A 8 3.126 -4.152 4.828 1.00 0.00 H new ATOM 0 H61 A A 8 4.963 1.721 4.698 1.00 0.00 H new ATOM 0 H62 A A 8 4.404 0.358 3.723 1.00 0.00 H new ATOM 0 H2 A A 8 5.081 0.297 8.950 1.00 0.00 H new ATOM 263 P G A 9 -1.541 -4.608 7.999 1.00 0.00 P ATOM 264 OP1 G A 9 -2.439 -5.114 9.062 1.00 0.00 O ATOM 265 OP2 G A 9 -1.715 -5.073 6.604 1.00 0.00 O ATOM 266 O5' G A 9 -1.614 -2.994 8.003 1.00 0.00 O ATOM 267 C5' G A 9 -1.140 -2.239 9.127 1.00 0.00 C ATOM 268 C4' G A 9 -0.196 -1.112 8.703 1.00 0.00 C ATOM 269 O4' G A 9 0.822 -1.585 7.808 1.00 0.00 O ATOM 270 C3' G A 9 -0.928 -0.025 7.928 1.00 0.00 C ATOM 271 O3' G A 9 -1.433 0.951 8.850 1.00 0.00 O ATOM 272 C2' G A 9 0.207 0.595 7.141 1.00 0.00 C ATOM 273 O2' G A 9 1.001 1.464 7.958 1.00 0.00 O ATOM 274 C1' G A 9 0.983 -0.645 6.729 1.00 0.00 C ATOM 275 N9 G A 9 0.470 -1.191 5.457 1.00 0.00 N ATOM 276 C8 G A 9 -0.392 -2.214 5.239 1.00 0.00 C ATOM 277 N7 G A 9 -0.684 -2.501 4.015 1.00 0.00 N ATOM 278 C5 G A 9 0.071 -1.556 3.314 1.00 0.00 C ATOM 279 C6 G A 9 0.189 -1.341 1.916 1.00 0.00 C ATOM 280 O6 G A 9 -0.351 -1.956 1.000 1.00 0.00 O ATOM 281 N1 G A 9 1.048 -0.292 1.634 1.00 0.00 N ATOM 282 C2 G A 9 1.716 0.463 2.572 1.00 0.00 C ATOM 283 N2 G A 9 2.490 1.435 2.102 1.00 0.00 N ATOM 284 N3 G A 9 1.615 0.270 3.888 1.00 0.00 N ATOM 285 C4 G A 9 0.781 -0.750 4.191 1.00 0.00 C ATOM 0 H5' G A 9 -0.623 -2.904 9.819 1.00 0.00 H new ATOM 0 H5'' G A 9 -1.989 -1.818 9.665 1.00 0.00 H new ATOM 0 H4' G A 9 0.226 -0.729 9.632 1.00 0.00 H new ATOM 0 H3' G A 9 -1.764 -0.383 7.327 1.00 0.00 H new ATOM 0 H2' G A 9 -0.113 1.223 6.310 1.00 0.00 H new ATOM 0 HO2' G A 9 0.647 1.468 8.872 1.00 0.00 H new ATOM 0 H1' G A 9 2.036 -0.421 6.557 1.00 0.00 H new ATOM 0 H8 G A 9 -0.819 -2.769 6.061 1.00 0.00 H new ATOM 0 H1 G A 9 1.198 -0.060 0.652 1.00 0.00 H new ATOM 0 H21 G A 9 3.011 2.029 2.747 1.00 0.00 H new ATOM 0 H22 G A 9 2.563 1.587 1.096 1.00 0.00 H new ATOM 297 P C A 10 -2.522 2.045 8.377 1.00 0.00 P ATOM 298 OP1 C A 10 -2.873 2.884 9.545 1.00 0.00 O ATOM 299 OP2 C A 10 -3.588 1.343 7.627 1.00 0.00 O ATOM 300 O5' C A 10 -1.690 2.953 7.334 1.00 0.00 O ATOM 301 C5' C A 10 -0.727 3.909 7.796 1.00 0.00 C ATOM 302 C4' C A 10 -0.040 4.635 6.638 1.00 0.00 C ATOM 303 O4' C A 10 0.623 3.717 5.747 1.00 0.00 O ATOM 304 C3' C A 10 -1.045 5.375 5.764 1.00 0.00 C ATOM 305 O3' C A 10 -1.242 6.696 6.283 1.00 0.00 O ATOM 306 C2' C A 10 -0.278 5.469 4.465 1.00 0.00 C ATOM 307 O2' C A 10 0.751 6.465 4.536 1.00 0.00 O ATOM 308 C1' C A 10 0.308 4.071 4.386 1.00 0.00 C ATOM 309 N1 C A 10 -0.641 3.100 3.789 1.00 0.00 N ATOM 310 C2 C A 10 -0.592 2.909 2.413 1.00 0.00 C ATOM 311 O2 C A 10 0.189 3.559 1.722 1.00 0.00 O ATOM 312 N3 C A 10 -1.429 1.990 1.858 1.00 0.00 N ATOM 313 C4 C A 10 -2.280 1.290 2.618 1.00 0.00 C ATOM 314 N4 C A 10 -3.085 0.403 2.043 1.00 0.00 N ATOM 315 C5 C A 10 -2.338 1.485 4.033 1.00 0.00 C ATOM 316 C6 C A 10 -1.508 2.394 4.573 1.00 0.00 C ATOM 0 H5' C A 10 0.024 3.403 8.403 1.00 0.00 H new ATOM 0 H5'' C A 10 -1.220 4.638 8.440 1.00 0.00 H new ATOM 0 H4' C A 10 0.666 5.317 7.112 1.00 0.00 H new ATOM 0 H3' C A 10 -2.024 4.901 5.691 1.00 0.00 H new ATOM 0 H2' C A 10 -0.878 5.759 3.603 1.00 0.00 H new ATOM 0 HO2' C A 10 0.648 6.983 5.361 1.00 0.00 H new ATOM 0 H1' C A 10 1.186 4.048 3.740 1.00 0.00 H new ATOM 0 H41 C A 10 -3.738 -0.137 2.611 1.00 0.00 H new ATOM 0 H42 C A 10 -3.050 0.262 1.033 1.00 0.00 H new ATOM 0 H5 C A 10 -3.025 0.921 4.647 1.00 0.00 H new ATOM 0 H6 C A 10 -1.527 2.568 5.639 1.00 0.00 H new ATOM 328 P C A 11 -2.569 7.531 5.904 1.00 0.00 P ATOM 329 OP1 C A 11 -2.407 8.913 6.406 1.00 0.00 O ATOM 330 OP2 C A 11 -3.749 6.732 6.305 1.00 0.00 O ATOM 331 O5' C A 11 -2.513 7.567 4.293 1.00 0.00 O ATOM 332 C5' C A 11 -1.527 8.354 3.615 1.00 0.00 C ATOM 333 C4' C A 11 -1.441 8.010 2.128 1.00 0.00 C ATOM 334 O4' C A 11 -1.166 6.620 1.912 1.00 0.00 O ATOM 335 C3' C A 11 -2.760 8.249 1.419 1.00 0.00 C ATOM 336 O3' C A 11 -2.847 9.631 1.047 1.00 0.00 O ATOM 337 C2' C A 11 -2.568 7.416 0.169 1.00 0.00 C ATOM 338 O2' C A 11 -1.740 8.093 -0.785 1.00 0.00 O ATOM 339 C1' C A 11 -1.871 6.180 0.732 1.00 0.00 C ATOM 340 N1 C A 11 -2.835 5.097 1.048 1.00 0.00 N ATOM 341 C2 C A 11 -3.356 4.374 -0.017 1.00 0.00 C ATOM 342 O2 C A 11 -3.028 4.646 -1.168 1.00 0.00 O ATOM 343 N3 C A 11 -4.231 3.367 0.251 1.00 0.00 N ATOM 344 C4 C A 11 -4.583 3.081 1.509 1.00 0.00 C ATOM 345 N4 C A 11 -5.445 2.093 1.734 1.00 0.00 N ATOM 346 C5 C A 11 -4.051 3.821 2.610 1.00 0.00 C ATOM 347 C6 C A 11 -3.184 4.814 2.337 1.00 0.00 C ATOM 0 H5' C A 11 -0.554 8.195 4.080 1.00 0.00 H new ATOM 0 H5'' C A 11 -1.766 9.411 3.729 1.00 0.00 H new ATOM 0 H4' C A 11 -0.644 8.647 1.743 1.00 0.00 H new ATOM 0 H3' C A 11 -3.647 8.006 2.004 1.00 0.00 H new ATOM 0 H2' C A 11 -3.491 7.200 -0.369 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.650 9.035 -0.530 1.00 0.00 H new ATOM 0 H1' C A 11 -1.186 5.754 -0.001 1.00 0.00 H new ATOM 0 H41 C A 11 -5.721 1.865 2.689 1.00 0.00 H new ATOM 0 H42 C A 11 -5.829 1.564 0.952 1.00 0.00 H new ATOM 0 H5 C A 11 -4.335 3.591 3.626 1.00 0.00 H new ATOM 0 H6 C A 11 -2.761 5.392 3.145 1.00 0.00 H new ATOM 359 P U A 12 -4.281 10.337 0.839 1.00 0.00 P ATOM 360 OP1 U A 12 -4.053 11.710 0.336 1.00 0.00 O ATOM 361 OP2 U A 12 -5.085 10.122 2.063 1.00 0.00 O ATOM 362 O5' U A 12 -4.931 9.464 -0.350 1.00 0.00 O ATOM 363 C5' U A 12 -4.391 9.518 -1.675 1.00 0.00 C ATOM 364 C4' U A 12 -4.905 8.371 -2.543 1.00 0.00 C ATOM 365 O4' U A 12 -4.592 7.095 -1.984 1.00 0.00 O ATOM 366 C3' U A 12 -6.417 8.382 -2.639 1.00 0.00 C ATOM 367 O3' U A 12 -6.890 9.363 -3.571 1.00 0.00 O ATOM 368 C2' U A 12 -6.675 6.970 -3.124 1.00 0.00 C ATOM 369 O2' U A 12 -6.461 6.853 -4.537 1.00 0.00 O ATOM 370 C1' U A 12 -5.636 6.168 -2.333 1.00 0.00 C ATOM 371 N1 U A 12 -6.240 5.553 -1.129 1.00 0.00 N ATOM 372 C2 U A 12 -7.135 4.518 -1.327 1.00 0.00 C ATOM 373 O2 U A 12 -7.416 4.100 -2.447 1.00 0.00 O ATOM 374 N3 U A 12 -7.697 3.973 -0.191 1.00 0.00 N ATOM 375 C4 U A 12 -7.450 4.365 1.110 1.00 0.00 C ATOM 376 O4 U A 12 -8.010 3.804 2.047 1.00 0.00 O ATOM 377 C5 U A 12 -6.503 5.451 1.229 1.00 0.00 C ATOM 378 C6 U A 12 -5.935 6.001 0.129 1.00 0.00 C ATOM 0 H5' U A 12 -3.303 9.478 -1.626 1.00 0.00 H new ATOM 0 H5'' U A 12 -4.654 10.470 -2.137 1.00 0.00 H new ATOM 0 H4' U A 12 -4.427 8.517 -3.512 1.00 0.00 H new ATOM 0 H3' U A 12 -6.926 8.643 -1.711 1.00 0.00 H new ATOM 0 H2' U A 12 -7.700 6.634 -2.971 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.586 7.728 -4.960 1.00 0.00 H new ATOM 0 HO3' U A 12 -7.869 9.337 -3.605 1.00 0.00 H new ATOM 0 H1' U A 12 -5.240 5.343 -2.925 1.00 0.00 H new ATOM 0 H3 U A 12 -8.358 3.208 -0.325 1.00 0.00 H new ATOM 0 H5 U A 12 -6.245 5.829 2.207 1.00 0.00 H new ATOM 0 H6 U A 12 -5.228 6.809 0.246 1.00 0.00 H new TER 390 U A 12