USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 132 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 -3:sc= 0.477 USER MOD Single : A 1 G O5' : rot -61:sc= -1.8! USER MOD Single : A 2 G O2' : rot -152:sc= 0.732 USER MOD Single : A 3 U O2' : rot -18:sc= 0.223 USER MOD Single : A 4 G O2' : rot -13:sc= 0.348 USER MOD Single : A 5 U O2' : rot -121:sc= -1.79! USER MOD Single : A 6 G O2' : rot -103:sc= -4.01! USER MOD Single : A 7 A O2' : rot -132:sc= -6.52! USER MOD Single : A 8 A O2' : rot -118:sc= -4.74! USER MOD Single : A 9 C O2' : rot -166:sc= -4.01! USER MOD Single : A 10 A O2' : rot -98:sc= 0.216 USER MOD Single : A 11 C O2' : rot -17:sc= 0.244 USER MOD Single : A 12 C O2' : rot -9:sc= 0.38 USER MOD Single : A 12 C O3' : rot 180:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.592 -2.500 7.064 1.00 0.89 O ATOM 2 C5' G A 1 -3.955 -3.839 7.404 1.00 0.94 C ATOM 3 C4' G A 1 -5.323 -3.914 8.083 1.00 0.92 C ATOM 4 O4' G A 1 -5.573 -2.748 8.894 1.00 1.00 O ATOM 5 C3' G A 1 -6.431 -3.999 7.044 1.00 0.74 C ATOM 6 O3' G A 1 -7.237 -5.153 7.281 1.00 0.76 O ATOM 7 C2' G A 1 -7.224 -2.726 7.161 1.00 0.74 C ATOM 8 O2' G A 1 -8.574 -3.006 7.553 1.00 0.81 O ATOM 9 C1' G A 1 -6.516 -1.897 8.218 1.00 0.89 C ATOM 10 N9 G A 1 -5.819 -0.730 7.640 1.00 0.84 N ATOM 11 C8 G A 1 -4.596 -0.239 7.921 1.00 0.92 C ATOM 12 N7 G A 1 -4.204 0.855 7.390 1.00 0.88 N ATOM 13 C5 G A 1 -5.327 1.174 6.615 1.00 0.75 C ATOM 14 C6 G A 1 -5.552 2.281 5.761 1.00 0.66 C ATOM 15 O6 G A 1 -4.801 3.222 5.521 1.00 0.67 O ATOM 16 N1 G A 1 -6.803 2.221 5.168 1.00 0.59 N ATOM 17 C2 G A 1 -7.731 1.222 5.368 1.00 0.62 C ATOM 18 N2 G A 1 -8.869 1.335 4.695 1.00 0.63 N ATOM 19 N3 G A 1 -7.536 0.174 6.173 1.00 0.68 N ATOM 20 C4 G A 1 -6.322 0.207 6.764 1.00 0.74 C ATOM 0 H5' G A 1 -3.199 -4.261 8.066 1.00 0.94 H new ATOM 0 H5'' G A 1 -3.965 -4.451 6.502 1.00 0.94 H new ATOM 0 H4' G A 1 -5.315 -4.805 8.711 1.00 0.92 H new ATOM 0 H3' G A 1 -6.035 -4.101 6.034 1.00 0.74 H new ATOM 0 H2' G A 1 -7.279 -2.197 6.209 1.00 0.74 H new ATOM 0 HO2' G A 1 -8.702 -3.976 7.617 1.00 0.81 H new ATOM 0 HO5' G A 1 -4.245 -2.135 6.431 1.00 0.89 H new ATOM 0 H1' G A 1 -7.260 -1.506 8.913 1.00 0.89 H new ATOM 0 H8 G A 1 -3.945 -0.772 8.598 1.00 0.92 H new ATOM 0 H1 G A 1 -7.057 2.977 4.532 1.00 0.59 H new ATOM 0 H21 G A 1 -9.596 0.627 4.800 1.00 0.63 H new ATOM 0 H22 G A 1 -9.017 2.129 4.073 1.00 0.63 H new ATOM 33 P G A 2 -6.661 -6.603 6.890 1.00 0.75 P ATOM 34 OP1 G A 2 -7.766 -7.582 6.995 1.00 0.75 O ATOM 35 OP2 G A 2 -5.404 -6.823 7.639 1.00 0.95 O ATOM 36 O5' G A 2 -6.297 -6.408 5.333 1.00 0.59 O ATOM 37 C5' G A 2 -7.304 -6.606 4.345 1.00 0.44 C ATOM 38 C4' G A 2 -7.316 -5.519 3.272 1.00 0.37 C ATOM 39 O4' G A 2 -7.332 -4.176 3.810 1.00 0.37 O ATOM 40 C3' G A 2 -6.106 -5.575 2.368 1.00 0.37 C ATOM 41 O3' G A 2 -6.226 -6.611 1.383 1.00 0.39 O ATOM 42 C2' G A 2 -6.113 -4.203 1.753 1.00 0.32 C ATOM 43 O2' G A 2 -6.924 -4.162 0.573 1.00 0.30 O ATOM 44 C1' G A 2 -6.681 -3.309 2.841 1.00 0.33 C ATOM 45 N9 G A 2 -5.630 -2.436 3.404 1.00 0.38 N ATOM 46 C8 G A 2 -4.761 -2.615 4.411 1.00 0.51 C ATOM 47 N7 G A 2 -3.915 -1.690 4.702 1.00 0.57 N ATOM 48 C5 G A 2 -4.257 -0.725 3.741 1.00 0.45 C ATOM 49 C6 G A 2 -3.707 0.565 3.494 1.00 0.44 C ATOM 50 O6 G A 2 -2.790 1.134 4.082 1.00 0.55 O ATOM 51 N1 G A 2 -4.347 1.195 2.433 1.00 0.32 N ATOM 52 C2 G A 2 -5.384 0.659 1.702 1.00 0.24 C ATOM 53 N2 G A 2 -5.865 1.410 0.722 1.00 0.23 N ATOM 54 N3 G A 2 -5.907 -0.542 1.924 1.00 0.24 N ATOM 55 C4 G A 2 -5.306 -1.181 2.948 1.00 0.34 C ATOM 0 H5' G A 2 -8.279 -6.639 4.831 1.00 0.44 H new ATOM 0 H5'' G A 2 -7.152 -7.575 3.870 1.00 0.44 H new ATOM 0 H4' G A 2 -8.235 -5.726 2.723 1.00 0.37 H new ATOM 0 H3' G A 2 -5.178 -5.812 2.888 1.00 0.37 H new ATOM 0 H2' G A 2 -5.119 -3.890 1.433 1.00 0.32 H new ATOM 0 HO2' G A 2 -6.590 -3.465 -0.029 1.00 0.30 H new ATOM 0 H1' G A 2 -7.426 -2.614 2.454 1.00 0.33 H new ATOM 0 H8 G A 2 -4.772 -3.535 4.977 1.00 0.51 H new ATOM 0 H1 G A 2 -4.023 2.127 2.176 1.00 0.32 H new ATOM 0 H21 G A 2 -6.633 1.066 0.146 1.00 0.23 H new ATOM 0 H22 G A 2 -5.467 2.332 0.544 1.00 0.23 H new ATOM 67 P U A 3 -5.081 -6.831 0.273 1.00 0.45 P ATOM 68 OP1 U A 3 -5.208 -8.206 -0.260 1.00 0.52 O ATOM 69 OP2 U A 3 -3.791 -6.372 0.838 1.00 0.57 O ATOM 70 O5' U A 3 -5.522 -5.793 -0.876 1.00 0.39 O ATOM 71 C5' U A 3 -6.657 -6.065 -1.706 1.00 0.40 C ATOM 72 C4' U A 3 -6.746 -5.085 -2.872 1.00 0.37 C ATOM 73 O4' U A 3 -7.010 -3.730 -2.416 1.00 0.37 O ATOM 74 C3' U A 3 -5.439 -5.035 -3.635 1.00 0.34 C ATOM 75 O3' U A 3 -5.377 -5.977 -4.717 1.00 0.34 O ATOM 76 C2' U A 3 -5.371 -3.622 -4.119 1.00 0.35 C ATOM 77 O2' U A 3 -6.011 -3.485 -5.393 1.00 0.38 O ATOM 78 C1' U A 3 -6.087 -2.818 -3.068 1.00 0.36 C ATOM 79 N1 U A 3 -5.127 -2.248 -2.091 1.00 0.36 N ATOM 80 C2 U A 3 -4.636 -0.966 -2.298 1.00 0.37 C ATOM 81 O2 U A 3 -4.925 -0.300 -3.287 1.00 0.41 O ATOM 82 N3 U A 3 -3.783 -0.481 -1.314 1.00 0.38 N ATOM 83 C4 U A 3 -3.402 -1.154 -0.174 1.00 0.37 C ATOM 84 O4 U A 3 -2.672 -0.627 0.645 1.00 0.39 O ATOM 85 C5 U A 3 -3.952 -2.471 -0.055 1.00 0.36 C ATOM 86 C6 U A 3 -4.775 -2.967 -1.000 1.00 0.35 C ATOM 0 H5' U A 3 -7.567 -6.006 -1.110 1.00 0.40 H new ATOM 0 H5'' U A 3 -6.593 -7.083 -2.090 1.00 0.40 H new ATOM 0 H4' U A 3 -7.560 -5.440 -3.504 1.00 0.37 H new ATOM 0 H3' U A 3 -4.592 -5.315 -3.008 1.00 0.34 H new ATOM 0 H2' U A 3 -4.343 -3.288 -4.260 1.00 0.35 H new ATOM 0 HO2' U A 3 -6.106 -4.368 -5.808 1.00 0.38 H new ATOM 0 H1' U A 3 -6.615 -1.974 -3.511 1.00 0.36 H new ATOM 0 H3 U A 3 -3.405 0.457 -1.448 1.00 0.38 H new ATOM 0 H5 U A 3 -3.704 -3.076 0.805 1.00 0.36 H new ATOM 0 H6 U A 3 -5.165 -3.967 -0.883 1.00 0.35 H new ATOM 97 P G A 4 -4.173 -7.061 -4.790 1.00 0.34 P ATOM 98 OP1 G A 4 -4.502 -8.041 -5.849 1.00 0.42 O ATOM 99 OP2 G A 4 -3.896 -7.534 -3.415 1.00 0.37 O ATOM 100 O5' G A 4 -2.903 -6.191 -5.289 1.00 0.30 O ATOM 101 C5' G A 4 -2.944 -5.498 -6.543 1.00 0.30 C ATOM 102 C4' G A 4 -2.749 -3.993 -6.365 1.00 0.32 C ATOM 103 O4' G A 4 -3.204 -3.575 -5.074 1.00 0.38 O ATOM 104 C3' G A 4 -1.298 -3.573 -6.432 1.00 0.29 C ATOM 105 O3' G A 4 -0.882 -3.296 -7.771 1.00 0.33 O ATOM 106 C2' G A 4 -1.230 -2.337 -5.572 1.00 0.38 C ATOM 107 O2' G A 4 -1.315 -1.152 -6.372 1.00 0.47 O ATOM 108 C1' G A 4 -2.424 -2.451 -4.633 1.00 0.38 C ATOM 109 N9 G A 4 -1.971 -2.605 -3.248 1.00 0.37 N ATOM 110 C8 G A 4 -2.245 -3.538 -2.327 1.00 0.37 C ATOM 111 N7 G A 4 -1.726 -3.441 -1.150 1.00 0.38 N ATOM 112 C5 G A 4 -0.993 -2.248 -1.297 1.00 0.38 C ATOM 113 C6 G A 4 -0.180 -1.535 -0.368 1.00 0.41 C ATOM 114 O6 G A 4 0.065 -1.805 0.808 1.00 0.43 O ATOM 115 N1 G A 4 0.352 -0.385 -0.944 1.00 0.41 N ATOM 116 C2 G A 4 0.134 0.026 -2.239 1.00 0.41 C ATOM 117 N2 G A 4 0.699 1.161 -2.601 1.00 0.43 N ATOM 118 N3 G A 4 -0.616 -0.630 -3.108 1.00 0.40 N ATOM 119 C4 G A 4 -1.147 -1.743 -2.583 1.00 0.38 C ATOM 0 H5' G A 4 -3.900 -5.686 -7.031 1.00 0.30 H new ATOM 0 H5'' G A 4 -2.168 -5.890 -7.201 1.00 0.30 H new ATOM 0 H4' G A 4 -3.313 -3.537 -7.179 1.00 0.32 H new ATOM 0 H3' G A 4 -0.630 -4.362 -6.087 1.00 0.29 H new ATOM 0 H2' G A 4 -0.288 -2.265 -5.028 1.00 0.38 H new ATOM 0 HO2' G A 4 -1.189 -1.385 -7.316 1.00 0.47 H new ATOM 0 H1' G A 4 -3.035 -1.549 -4.657 1.00 0.38 H new ATOM 0 H8 G A 4 -2.896 -4.366 -2.568 1.00 0.37 H new ATOM 0 H1 G A 4 0.951 0.199 -0.360 1.00 0.41 H new ATOM 0 H21 G A 4 0.572 1.514 -3.549 1.00 0.43 H new ATOM 0 H22 G A 4 1.263 1.686 -1.933 1.00 0.43 H new ATOM 131 P U A 5 0.549 -3.819 -8.289 1.00 0.34 P ATOM 132 OP1 U A 5 1.023 -2.894 -9.343 1.00 0.56 O ATOM 133 OP2 U A 5 0.437 -5.266 -8.574 1.00 0.46 O ATOM 134 O5' U A 5 1.486 -3.633 -6.984 1.00 0.32 O ATOM 135 C5' U A 5 2.407 -2.539 -6.889 1.00 0.40 C ATOM 136 C4' U A 5 3.143 -2.525 -5.547 1.00 0.34 C ATOM 137 O4' U A 5 2.234 -2.330 -4.438 1.00 0.28 O ATOM 138 C3' U A 5 3.846 -3.839 -5.277 1.00 0.34 C ATOM 139 O3' U A 5 5.102 -3.986 -5.996 1.00 0.46 O ATOM 140 C2' U A 5 3.945 -3.854 -3.783 1.00 0.29 C ATOM 141 O2' U A 5 5.043 -3.073 -3.320 1.00 0.31 O ATOM 142 C1' U A 5 2.637 -3.206 -3.352 1.00 0.24 C ATOM 143 N1 U A 5 1.599 -4.233 -3.092 1.00 0.25 N ATOM 144 C2 U A 5 1.369 -4.593 -1.779 1.00 0.34 C ATOM 145 O2 U A 5 1.993 -4.102 -0.848 1.00 0.45 O ATOM 146 N3 U A 5 0.398 -5.549 -1.570 1.00 0.40 N ATOM 147 C4 U A 5 -0.357 -6.172 -2.541 1.00 0.39 C ATOM 148 O4 U A 5 -1.199 -7.011 -2.236 1.00 0.49 O ATOM 149 C5 U A 5 -0.056 -5.740 -3.886 1.00 0.38 C ATOM 150 C6 U A 5 0.895 -4.802 -4.117 1.00 0.33 C ATOM 0 H5' U A 5 1.869 -1.600 -7.017 1.00 0.40 H new ATOM 0 H5'' U A 5 3.132 -2.604 -7.700 1.00 0.40 H new ATOM 0 H4' U A 5 3.856 -1.704 -5.622 1.00 0.34 H new ATOM 0 H3' U A 5 3.310 -4.711 -5.652 1.00 0.34 H new ATOM 0 H2' U A 5 4.103 -4.857 -3.386 1.00 0.29 H new ATOM 0 HO2' U A 5 5.655 -3.641 -2.806 1.00 0.31 H new ATOM 0 H1' U A 5 2.765 -2.648 -2.425 1.00 0.24 H new ATOM 0 H3 U A 5 0.221 -5.822 -0.603 1.00 0.40 H new ATOM 0 H5 U A 5 -0.595 -6.169 -4.718 1.00 0.38 H new ATOM 0 H6 U A 5 1.101 -4.497 -5.132 1.00 0.33 H new ATOM 161 P G A 6 6.306 -2.897 -6.046 1.00 0.51 P ATOM 162 OP1 G A 6 5.976 -1.766 -5.150 1.00 0.64 O ATOM 163 OP2 G A 6 6.608 -2.628 -7.470 1.00 0.43 O ATOM 164 O5' G A 6 7.568 -3.704 -5.421 1.00 0.54 O ATOM 165 C5' G A 6 8.246 -3.257 -4.243 1.00 0.50 C ATOM 166 C4' G A 6 7.927 -4.117 -3.022 1.00 0.47 C ATOM 167 O4' G A 6 6.567 -4.567 -3.043 1.00 0.43 O ATOM 168 C3' G A 6 8.787 -5.353 -2.908 1.00 0.57 C ATOM 169 O3' G A 6 10.040 -5.028 -2.255 1.00 0.61 O ATOM 170 C2' G A 6 7.900 -6.310 -2.136 1.00 0.58 C ATOM 171 O2' G A 6 8.113 -6.219 -0.726 1.00 0.60 O ATOM 172 C1' G A 6 6.494 -5.888 -2.481 1.00 0.49 C ATOM 173 N9 G A 6 5.896 -6.849 -3.424 1.00 0.54 N ATOM 174 C8 G A 6 5.086 -7.876 -3.172 1.00 0.59 C ATOM 175 N7 G A 6 4.672 -8.628 -4.125 1.00 0.65 N ATOM 176 C5 G A 6 5.309 -8.020 -5.215 1.00 0.65 C ATOM 177 C6 G A 6 5.281 -8.361 -6.594 1.00 0.74 C ATOM 178 O6 G A 6 4.680 -9.281 -7.143 1.00 0.82 O ATOM 179 N1 G A 6 6.061 -7.496 -7.346 1.00 0.78 N ATOM 180 C2 G A 6 6.780 -6.434 -6.843 1.00 0.73 C ATOM 181 N2 G A 6 7.468 -5.718 -7.724 1.00 0.82 N ATOM 182 N3 G A 6 6.815 -6.104 -5.552 1.00 0.63 N ATOM 183 C4 G A 6 6.066 -6.926 -4.793 1.00 0.59 C ATOM 0 H5' G A 6 7.968 -2.223 -4.038 1.00 0.50 H new ATOM 0 H5'' G A 6 9.321 -3.268 -4.420 1.00 0.50 H new ATOM 0 H4' G A 6 8.123 -3.462 -2.173 1.00 0.47 H new ATOM 0 H3' G A 6 9.098 -5.794 -3.855 1.00 0.57 H new ATOM 0 H2' G A 6 8.111 -7.346 -2.400 1.00 0.58 H new ATOM 0 HO2' G A 6 8.654 -6.980 -0.427 1.00 0.60 H new ATOM 0 H1' G A 6 5.857 -5.873 -1.596 1.00 0.49 H new ATOM 0 H8 G A 6 4.775 -8.077 -2.157 1.00 0.59 H new ATOM 0 H1 G A 6 6.106 -7.659 -8.352 1.00 0.78 H new ATOM 0 H21 G A 6 8.020 -4.919 -7.412 1.00 0.82 H new ATOM 0 H22 G A 6 7.445 -5.967 -8.713 1.00 0.82 H new ATOM 195 P A A 7 10.893 -6.067 -1.352 1.00 0.70 P ATOM 196 OP1 A A 7 12.271 -6.108 -1.888 1.00 0.82 O ATOM 197 OP2 A A 7 10.131 -7.328 -1.202 1.00 0.77 O ATOM 198 O5' A A 7 10.944 -5.335 0.089 1.00 0.66 O ATOM 199 C5' A A 7 9.775 -4.784 0.710 1.00 0.58 C ATOM 200 C4' A A 7 10.098 -3.477 1.439 1.00 0.54 C ATOM 201 O4' A A 7 10.269 -2.390 0.502 1.00 0.49 O ATOM 202 C3' A A 7 8.974 -3.066 2.377 1.00 0.52 C ATOM 203 O3' A A 7 9.548 -2.443 3.544 1.00 0.56 O ATOM 204 C2' A A 7 8.160 -2.106 1.558 1.00 0.42 C ATOM 205 O2' A A 7 7.510 -1.143 2.372 1.00 0.43 O ATOM 206 C1' A A 7 9.175 -1.457 0.649 1.00 0.41 C ATOM 207 N9 A A 7 8.621 -1.104 -0.665 1.00 0.37 N ATOM 208 C8 A A 7 7.583 -1.605 -1.359 1.00 0.35 C ATOM 209 N7 A A 7 7.309 -1.130 -2.521 1.00 0.36 N ATOM 210 C5 A A 7 8.317 -0.160 -2.637 1.00 0.40 C ATOM 211 C6 A A 7 8.650 0.754 -3.642 1.00 0.48 C ATOM 212 N6 A A 7 7.981 0.854 -4.787 1.00 0.54 N ATOM 213 N1 A A 7 9.707 1.558 -3.423 1.00 0.54 N ATOM 214 C2 A A 7 10.397 1.470 -2.283 1.00 0.52 C ATOM 215 N3 A A 7 10.171 0.649 -1.270 1.00 0.45 N ATOM 216 C4 A A 7 9.113 -0.144 -1.510 1.00 0.40 C ATOM 0 H5' A A 7 9.361 -5.504 1.416 1.00 0.58 H new ATOM 0 H5'' A A 7 9.010 -4.603 -0.045 1.00 0.58 H new ATOM 0 H4' A A 7 11.015 -3.663 1.998 1.00 0.54 H new ATOM 0 H3' A A 7 8.361 -3.891 2.740 1.00 0.52 H new ATOM 0 H2' A A 7 7.359 -2.603 1.011 1.00 0.42 H new ATOM 0 HO2' A A 7 6.569 -1.074 2.109 1.00 0.43 H new ATOM 0 H1' A A 7 9.504 -0.517 1.092 1.00 0.41 H new ATOM 0 H8 A A 7 6.984 -2.401 -0.942 1.00 0.35 H new ATOM 0 H61 A A 7 8.267 1.539 -5.487 1.00 0.54 H new ATOM 0 H62 A A 7 7.182 0.246 -4.966 1.00 0.54 H new ATOM 0 H2 A A 7 11.233 2.145 -2.176 1.00 0.52 H new ATOM 228 P A A 8 8.659 -1.818 4.738 1.00 0.60 P ATOM 229 OP1 A A 8 9.437 -1.925 5.992 1.00 0.60 O ATOM 230 OP2 A A 8 7.298 -2.396 4.668 1.00 0.71 O ATOM 231 O5' A A 8 8.578 -0.257 4.330 1.00 0.55 O ATOM 232 C5' A A 8 9.709 0.403 3.742 1.00 0.53 C ATOM 233 C4' A A 8 9.287 1.589 2.874 1.00 0.46 C ATOM 234 O4' A A 8 8.379 1.172 1.817 1.00 0.39 O ATOM 235 C3' A A 8 8.554 2.628 3.701 1.00 0.51 C ATOM 236 O3' A A 8 8.901 3.953 3.267 1.00 0.51 O ATOM 237 C2' A A 8 7.103 2.297 3.473 1.00 0.48 C ATOM 238 O2' A A 8 6.238 3.426 3.608 1.00 0.52 O ATOM 239 C1' A A 8 7.060 1.721 2.066 1.00 0.39 C ATOM 240 N9 A A 8 6.016 0.682 1.964 1.00 0.37 N ATOM 241 C8 A A 8 5.393 0.017 2.945 1.00 0.42 C ATOM 242 N7 A A 8 4.526 -0.879 2.671 1.00 0.42 N ATOM 243 C5 A A 8 4.551 -0.825 1.274 1.00 0.34 C ATOM 244 C6 A A 8 3.850 -1.531 0.299 1.00 0.32 C ATOM 245 N6 A A 8 2.942 -2.454 0.597 1.00 0.37 N ATOM 246 N1 A A 8 4.108 -1.241 -0.985 1.00 0.29 N ATOM 247 C2 A A 8 5.007 -0.305 -1.299 1.00 0.28 C ATOM 248 N3 A A 8 5.732 0.435 -0.456 1.00 0.29 N ATOM 249 C4 A A 8 5.455 0.124 0.827 1.00 0.31 C ATOM 0 H5' A A 8 10.271 -0.309 3.137 1.00 0.53 H new ATOM 0 H5'' A A 8 10.378 0.749 4.530 1.00 0.53 H new ATOM 0 H4' A A 8 10.201 2.004 2.449 1.00 0.46 H new ATOM 0 H3' A A 8 8.808 2.610 4.761 1.00 0.51 H new ATOM 0 H2' A A 8 6.738 1.598 4.225 1.00 0.48 H new ATOM 0 HO2' A A 8 5.609 3.270 4.343 1.00 0.52 H new ATOM 0 H1' A A 8 6.811 2.482 1.326 1.00 0.39 H new ATOM 0 H8 A A 8 5.626 0.240 3.976 1.00 0.42 H new ATOM 0 H61 A A 8 2.452 -2.947 -0.149 1.00 0.37 H new ATOM 0 H62 A A 8 2.735 -2.669 1.572 1.00 0.37 H new ATOM 0 H2 A A 8 5.166 -0.126 -2.352 1.00 0.28 H new ATOM 261 P C A 9 8.270 5.263 3.961 1.00 0.57 P ATOM 262 OP1 C A 9 9.202 6.395 3.753 1.00 0.67 O ATOM 263 OP2 C A 9 7.830 4.907 5.329 1.00 0.63 O ATOM 264 O5' C A 9 6.966 5.503 3.048 1.00 0.50 O ATOM 265 C5' C A 9 7.088 5.496 1.624 1.00 0.45 C ATOM 266 C4' C A 9 5.762 5.221 0.919 1.00 0.41 C ATOM 267 O4' C A 9 5.484 3.822 0.706 1.00 0.42 O ATOM 268 C3' C A 9 4.572 5.714 1.699 1.00 0.41 C ATOM 269 O3' C A 9 4.417 7.141 1.657 1.00 0.42 O ATOM 270 C2' C A 9 3.439 5.011 1.021 1.00 0.41 C ATOM 271 O2' C A 9 2.944 5.784 -0.074 1.00 0.43 O ATOM 272 C1' C A 9 4.045 3.714 0.514 1.00 0.40 C ATOM 273 N1 C A 9 3.432 2.575 1.229 1.00 0.41 N ATOM 274 C2 C A 9 2.621 1.735 0.483 1.00 0.40 C ATOM 275 O2 C A 9 2.502 1.911 -0.723 1.00 0.39 O ATOM 276 N3 C A 9 1.965 0.731 1.118 1.00 0.41 N ATOM 277 C4 C A 9 2.098 0.550 2.434 1.00 0.44 C ATOM 278 N4 C A 9 1.454 -0.461 3.015 1.00 0.47 N ATOM 279 C5 C A 9 2.938 1.410 3.216 1.00 0.47 C ATOM 280 C6 C A 9 3.586 2.405 2.574 1.00 0.44 C ATOM 0 H5' C A 9 7.815 4.739 1.330 1.00 0.45 H new ATOM 0 H5'' C A 9 7.478 6.458 1.292 1.00 0.45 H new ATOM 0 H4' C A 9 5.892 5.747 -0.027 1.00 0.41 H new ATOM 0 H3' C A 9 4.652 5.505 2.766 1.00 0.41 H new ATOM 0 H2' C A 9 2.597 4.848 1.694 1.00 0.41 H new ATOM 0 HO2' C A 9 2.074 5.431 -0.357 1.00 0.43 H new ATOM 0 H1' C A 9 3.850 3.538 -0.544 1.00 0.40 H new ATOM 0 H41 C A 9 1.545 -0.614 4.019 1.00 0.47 H new ATOM 0 H42 C A 9 0.870 -1.083 2.455 1.00 0.47 H new ATOM 0 H5 C A 9 3.048 1.267 4.281 1.00 0.47 H new ATOM 0 H6 C A 9 4.231 3.071 3.129 1.00 0.44 H new ATOM 292 P A A 10 3.064 7.834 2.210 1.00 0.48 P ATOM 293 OP1 A A 10 3.332 9.276 2.407 1.00 0.54 O ATOM 294 OP2 A A 10 2.551 7.018 3.333 1.00 0.53 O ATOM 295 O5' A A 10 2.043 7.671 0.965 1.00 0.47 O ATOM 296 C5' A A 10 2.113 8.562 -0.156 1.00 0.51 C ATOM 297 C4' A A 10 1.151 8.172 -1.282 1.00 0.51 C ATOM 298 O4' A A 10 1.400 6.834 -1.775 1.00 0.54 O ATOM 299 C3' A A 10 -0.294 8.190 -0.825 1.00 0.46 C ATOM 300 O3' A A 10 -0.887 9.486 -0.944 1.00 0.47 O ATOM 301 C2' A A 10 -0.953 7.170 -1.700 1.00 0.48 C ATOM 302 O2' A A 10 -1.369 7.741 -2.945 1.00 0.53 O ATOM 303 C1' A A 10 0.133 6.139 -1.909 1.00 0.51 C ATOM 304 N9 A A 10 0.008 5.091 -0.887 1.00 0.48 N ATOM 305 C8 A A 10 0.567 5.004 0.330 1.00 0.47 C ATOM 306 N7 A A 10 0.323 3.998 1.076 1.00 0.45 N ATOM 307 C5 A A 10 -0.544 3.281 0.242 1.00 0.43 C ATOM 308 C6 A A 10 -1.212 2.073 0.405 1.00 0.42 C ATOM 309 N6 A A 10 -1.090 1.340 1.509 1.00 0.42 N ATOM 310 N1 A A 10 -1.996 1.652 -0.612 1.00 0.41 N ATOM 311 C2 A A 10 -2.106 2.391 -1.724 1.00 0.43 C ATOM 312 N3 A A 10 -1.512 3.549 -1.983 1.00 0.45 N ATOM 313 C4 A A 10 -0.741 3.943 -0.955 1.00 0.45 C ATOM 0 H5' A A 10 3.132 8.574 -0.542 1.00 0.51 H new ATOM 0 H5'' A A 10 1.886 9.575 0.176 1.00 0.51 H new ATOM 0 H4' A A 10 1.323 8.911 -2.064 1.00 0.51 H new ATOM 0 H3' A A 10 -0.402 7.957 0.234 1.00 0.46 H new ATOM 0 H2' A A 10 -1.859 6.754 -1.258 1.00 0.48 H new ATOM 0 HO2' A A 10 -2.322 7.966 -2.900 1.00 0.53 H new ATOM 0 H1' A A 10 0.059 5.666 -2.888 1.00 0.51 H new ATOM 0 H8 A A 10 1.224 5.787 0.678 1.00 0.47 H new ATOM 0 H61 A A 10 -1.595 0.458 1.594 1.00 0.42 H new ATOM 0 H62 A A 10 -0.491 1.660 2.270 1.00 0.42 H new ATOM 0 H2 A A 10 -2.751 2.000 -2.497 1.00 0.43 H new ATOM 325 P C A 11 -1.393 10.252 0.382 1.00 0.45 P ATOM 326 OP1 C A 11 -1.333 11.708 0.129 1.00 0.52 O ATOM 327 OP2 C A 11 -0.688 9.673 1.549 1.00 0.52 O ATOM 328 O5' C A 11 -2.942 9.819 0.470 1.00 0.38 O ATOM 329 C5' C A 11 -3.811 10.028 -0.646 1.00 0.40 C ATOM 330 C4' C A 11 -4.426 8.721 -1.141 1.00 0.36 C ATOM 331 O4' C A 11 -3.463 7.646 -1.129 1.00 0.32 O ATOM 332 C3' C A 11 -5.564 8.262 -0.259 1.00 0.36 C ATOM 333 O3' C A 11 -6.804 8.864 -0.651 1.00 0.48 O ATOM 334 C2' C A 11 -5.580 6.774 -0.463 1.00 0.31 C ATOM 335 O2' C A 11 -6.415 6.418 -1.570 1.00 0.41 O ATOM 336 C1' C A 11 -4.129 6.418 -0.735 1.00 0.26 C ATOM 337 N1 C A 11 -3.504 5.803 0.459 1.00 0.24 N ATOM 338 C2 C A 11 -3.899 4.511 0.778 1.00 0.23 C ATOM 339 O2 C A 11 -4.748 3.942 0.099 1.00 0.23 O ATOM 340 N3 C A 11 -3.327 3.904 1.853 1.00 0.30 N ATOM 341 C4 C A 11 -2.404 4.536 2.585 1.00 0.39 C ATOM 342 N4 C A 11 -1.851 3.904 3.617 1.00 0.50 N ATOM 343 C5 C A 11 -1.995 5.872 2.265 1.00 0.38 C ATOM 344 C6 C A 11 -2.569 6.465 1.199 1.00 0.30 C ATOM 0 H5' C A 11 -3.254 10.497 -1.457 1.00 0.40 H new ATOM 0 H5'' C A 11 -4.605 10.719 -0.363 1.00 0.40 H new ATOM 0 H4' C A 11 -4.776 8.933 -2.151 1.00 0.36 H new ATOM 0 H3' C A 11 -5.435 8.543 0.786 1.00 0.36 H new ATOM 0 H2' C A 11 -5.983 6.239 0.397 1.00 0.31 H new ATOM 0 HO2' C A 11 -7.001 7.171 -1.794 1.00 0.41 H new ATOM 0 H1' C A 11 -4.046 5.677 -1.530 1.00 0.26 H new ATOM 0 H41 C A 11 -1.145 4.374 4.184 1.00 0.50 H new ATOM 0 H42 C A 11 -2.133 2.950 3.841 1.00 0.50 H new ATOM 0 H5 C A 11 -1.253 6.386 2.857 1.00 0.38 H new ATOM 0 H6 C A 11 -2.286 7.472 0.929 1.00 0.30 H new ATOM 356 P C A 12 -7.461 10.042 0.231 1.00 0.55 P ATOM 357 OP1 C A 12 -7.861 11.136 -0.681 1.00 0.55 O ATOM 358 OP2 C A 12 -6.565 10.320 1.376 1.00 0.63 O ATOM 359 O5' C A 12 -8.797 9.342 0.797 1.00 0.71 O ATOM 360 C5' C A 12 -9.787 8.828 -0.102 1.00 0.82 C ATOM 361 C4' C A 12 -10.247 7.431 0.306 1.00 0.84 C ATOM 362 O4' C A 12 -9.132 6.521 0.382 1.00 0.70 O ATOM 363 C3' C A 12 -10.918 7.455 1.668 1.00 0.96 C ATOM 364 O3' C A 12 -12.344 7.427 1.544 1.00 1.15 O ATOM 365 C2' C A 12 -10.410 6.235 2.396 1.00 0.89 C ATOM 366 O2' C A 12 -11.433 5.235 2.489 1.00 1.02 O ATOM 367 C1' C A 12 -9.227 5.723 1.583 1.00 0.69 C ATOM 368 N1 C A 12 -7.977 5.796 2.367 1.00 0.58 N ATOM 369 C2 C A 12 -7.636 4.692 3.133 1.00 0.55 C ATOM 370 O2 C A 12 -8.385 3.719 3.183 1.00 0.59 O ATOM 371 N3 C A 12 -6.468 4.723 3.830 1.00 0.55 N ATOM 372 C4 C A 12 -5.667 5.794 3.778 1.00 0.55 C ATOM 373 N4 C A 12 -4.523 5.789 4.459 1.00 0.62 N ATOM 374 C5 C A 12 -6.016 6.938 2.995 1.00 0.54 C ATOM 375 C6 C A 12 -7.174 6.897 2.310 1.00 0.57 C ATOM 0 H5' C A 12 -9.380 8.797 -1.113 1.00 0.82 H new ATOM 0 H5'' C A 12 -10.644 9.502 -0.124 1.00 0.82 H new ATOM 0 H4' C A 12 -10.953 7.097 -0.455 1.00 0.84 H new ATOM 0 H3' C A 12 -10.682 8.370 2.211 1.00 0.96 H new ATOM 0 H2' C A 12 -10.116 6.477 3.417 1.00 0.89 H new ATOM 0 HO2' C A 12 -12.285 5.609 2.183 1.00 1.02 H new ATOM 0 HO3' C A 12 -12.750 7.442 2.436 1.00 1.15 H new ATOM 0 H1' C A 12 -9.379 4.675 1.323 1.00 0.69 H new ATOM 0 H41 C A 12 -3.906 6.601 4.426 1.00 0.62 H new ATOM 0 H42 C A 12 -4.264 4.974 5.014 1.00 0.62 H new ATOM 0 H5 C A 12 -5.373 7.805 2.954 1.00 0.54 H new ATOM 0 H6 C A 12 -7.470 7.744 1.709 1.00 0.57 H new TER 388 C A 12