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 -2:sc= 0.463 USER MOD Single : A 1 G O5' : rot -61:sc= -1.98! USER MOD Single : A 2 G O2' : rot -153:sc= 0.711 USER MOD Single : A 3 U O2' : rot -18:sc= 0.228 USER MOD Single : A 4 G O2' : rot -11:sc= 0.327 USER MOD Single : A 5 U O2' : rot 35:sc= -2.47! USER MOD Single : A 6 G O2' : rot -97:sc= -4.33! USER MOD Single : A 7 A O2' : rot -130:sc= -3.86! USER MOD Single : A 8 A O2' : rot -51:sc= -2.91! USER MOD Single : A 9 C O2' : rot -172:sc= -3.54! USER MOD Single : A 10 A O2' : rot -97:sc= 0.172 USER MOD Single : A 11 C O2' : rot -17:sc= 0.249 USER MOD Single : A 12 C O2' : rot -6:sc= 0.381 USER MOD Single : A 12 C O3' : rot 180:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.454 -2.469 6.980 1.00 0.95 O ATOM 2 C5' G A 1 -3.785 -3.825 7.296 1.00 1.00 C ATOM 3 C4' G A 1 -5.139 -3.943 7.997 1.00 0.98 C ATOM 4 O4' G A 1 -5.406 -2.791 8.825 1.00 1.07 O ATOM 5 C3' G A 1 -6.263 -4.046 6.978 1.00 0.79 C ATOM 6 O3' G A 1 -7.046 -5.214 7.224 1.00 0.80 O ATOM 7 C2' G A 1 -7.077 -2.788 7.111 1.00 0.79 C ATOM 8 O2' G A 1 -8.418 -3.092 7.512 1.00 0.86 O ATOM 9 C1' G A 1 -6.374 -1.954 8.167 1.00 0.95 C ATOM 10 N9 G A 1 -5.707 -0.770 7.592 1.00 0.90 N ATOM 11 C8 G A 1 -4.493 -0.256 7.864 1.00 0.98 C ATOM 12 N7 G A 1 -4.128 0.851 7.337 1.00 0.93 N ATOM 13 C5 G A 1 -5.265 1.154 6.578 1.00 0.78 C ATOM 14 C6 G A 1 -5.520 2.261 5.735 1.00 0.68 C ATOM 15 O6 G A 1 -4.789 3.215 5.491 1.00 0.68 O ATOM 16 N1 G A 1 -6.775 2.182 5.154 1.00 0.60 N ATOM 17 C2 G A 1 -7.683 1.163 5.356 1.00 0.63 C ATOM 18 N2 G A 1 -8.831 1.260 4.696 1.00 0.64 N ATOM 19 N3 G A 1 -7.459 0.114 6.150 1.00 0.71 N ATOM 20 C4 G A 1 -6.239 0.166 6.728 1.00 0.78 C ATOM 0 H5' G A 1 -3.009 -4.247 7.935 1.00 1.00 H new ATOM 0 H5'' G A 1 -3.800 -4.416 6.380 1.00 1.00 H new ATOM 0 H4' G A 1 -5.096 -4.841 8.614 1.00 0.98 H new ATOM 0 H3' G A 1 -5.880 -4.140 5.962 1.00 0.79 H new ATOM 0 H2' G A 1 -7.150 -2.255 6.163 1.00 0.79 H new ATOM 0 HO2' G A 1 -8.528 -4.064 7.574 1.00 0.86 H new ATOM 0 HO5' G A 1 -4.129 -2.101 6.373 1.00 0.95 H new ATOM 0 H1' G A 1 -7.118 -1.585 8.873 1.00 0.95 H new ATOM 0 H8 G A 1 -3.824 -0.781 8.530 1.00 0.98 H new ATOM 0 H1 G A 1 -7.050 2.938 4.527 1.00 0.60 H new ATOM 0 H21 G A 1 -9.543 0.538 4.803 1.00 0.64 H new ATOM 0 H22 G A 1 -9.000 2.057 4.082 1.00 0.64 H new ATOM 33 P G A 2 -6.457 -6.654 6.811 1.00 0.79 P ATOM 34 OP1 G A 2 -7.544 -7.651 6.932 1.00 0.77 O ATOM 35 OP2 G A 2 -5.181 -6.860 7.530 1.00 1.02 O ATOM 36 O5' G A 2 -6.129 -6.443 5.248 1.00 0.62 O ATOM 37 C5' G A 2 -7.156 -6.644 4.277 1.00 0.44 C ATOM 38 C4' G A 2 -7.195 -5.551 3.210 1.00 0.37 C ATOM 39 O4' G A 2 -7.223 -4.211 3.755 1.00 0.38 O ATOM 40 C3' G A 2 -5.995 -5.583 2.290 1.00 0.39 C ATOM 41 O3' G A 2 -6.112 -6.617 1.301 1.00 0.40 O ATOM 42 C2' G A 2 -6.030 -4.208 1.683 1.00 0.34 C ATOM 43 O2' G A 2 -6.858 -4.174 0.514 1.00 0.31 O ATOM 44 C1' G A 2 -6.598 -3.329 2.783 1.00 0.34 C ATOM 45 N9 G A 2 -5.557 -2.441 3.340 1.00 0.41 N ATOM 46 C8 G A 2 -4.671 -2.614 4.332 1.00 0.55 C ATOM 47 N7 G A 2 -3.838 -1.678 4.620 1.00 0.61 N ATOM 48 C5 G A 2 -4.210 -0.709 3.674 1.00 0.47 C ATOM 49 C6 G A 2 -3.686 0.593 3.430 1.00 0.46 C ATOM 50 O6 G A 2 -2.770 1.173 4.010 1.00 0.56 O ATOM 51 N1 G A 2 -4.352 1.220 2.385 1.00 0.32 N ATOM 52 C2 G A 2 -5.390 0.673 1.664 1.00 0.24 C ATOM 53 N2 G A 2 -5.902 1.425 0.699 1.00 0.25 N ATOM 54 N3 G A 2 -5.889 -0.540 1.882 1.00 0.25 N ATOM 55 C4 G A 2 -5.262 -1.176 2.891 1.00 0.35 C ATOM 0 H5' G A 2 -8.121 -6.685 4.781 1.00 0.44 H new ATOM 0 H5'' G A 2 -7.007 -7.610 3.794 1.00 0.44 H new ATOM 0 H4' G A 2 -8.117 -5.770 2.672 1.00 0.37 H new ATOM 0 H3' G A 2 -5.056 -5.808 2.796 1.00 0.39 H new ATOM 0 H2' G A 2 -5.046 -3.877 1.352 1.00 0.34 H new ATOM 0 HO2' G A 2 -6.545 -3.467 -0.088 1.00 0.31 H new ATOM 0 H1' G A 2 -7.358 -2.644 2.407 1.00 0.34 H new ATOM 0 H8 G A 2 -4.657 -3.539 4.889 1.00 0.55 H new ATOM 0 H1 G A 2 -4.048 2.160 2.131 1.00 0.32 H new ATOM 0 H21 G A 2 -6.673 1.072 0.132 1.00 0.25 H new ATOM 0 H22 G A 2 -5.525 2.356 0.524 1.00 0.25 H new ATOM 67 P U A 3 -4.968 -6.829 0.186 1.00 0.49 P ATOM 68 OP1 U A 3 -5.097 -8.201 -0.356 1.00 0.61 O ATOM 69 OP2 U A 3 -3.677 -6.375 0.752 1.00 0.56 O ATOM 70 O5' U A 3 -5.410 -5.784 -0.955 1.00 0.42 O ATOM 71 C5' U A 3 -6.541 -6.055 -1.790 1.00 0.44 C ATOM 72 C4' U A 3 -6.635 -5.065 -2.945 1.00 0.41 C ATOM 73 O4' U A 3 -6.922 -3.719 -2.478 1.00 0.41 O ATOM 74 C3' U A 3 -5.323 -4.989 -3.697 1.00 0.37 C ATOM 75 O3' U A 3 -5.240 -5.922 -4.786 1.00 0.37 O ATOM 76 C2' U A 3 -5.274 -3.573 -4.171 1.00 0.38 C ATOM 77 O2' U A 3 -5.903 -3.437 -5.449 1.00 0.41 O ATOM 78 C1' U A 3 -6.011 -2.787 -3.120 1.00 0.40 C ATOM 79 N1 U A 3 -5.067 -2.203 -2.137 1.00 0.39 N ATOM 80 C2 U A 3 -4.600 -0.910 -2.337 1.00 0.41 C ATOM 81 O2 U A 3 -4.901 -0.246 -3.323 1.00 0.43 O ATOM 82 N3 U A 3 -3.757 -0.416 -1.351 1.00 0.41 N ATOM 83 C4 U A 3 -3.364 -1.086 -0.213 1.00 0.41 C ATOM 84 O4 U A 3 -2.643 -0.549 0.607 1.00 0.43 O ATOM 85 C5 U A 3 -3.889 -2.414 -0.101 1.00 0.40 C ATOM 86 C6 U A 3 -4.703 -2.920 -1.049 1.00 0.39 C ATOM 0 H5' U A 3 -7.453 -6.008 -1.195 1.00 0.44 H new ATOM 0 H5'' U A 3 -6.469 -7.069 -2.184 1.00 0.44 H new ATOM 0 H4' U A 3 -7.440 -5.425 -3.586 1.00 0.41 H new ATOM 0 H3' U A 3 -4.477 -5.260 -3.066 1.00 0.37 H new ATOM 0 H2' U A 3 -4.251 -3.221 -4.301 1.00 0.38 H new ATOM 0 HO2' U A 3 -5.980 -4.318 -5.871 1.00 0.41 H new ATOM 0 H1' U A 3 -6.553 -1.951 -3.562 1.00 0.40 H new ATOM 0 H3 U A 3 -3.396 0.529 -1.481 1.00 0.41 H new ATOM 0 H5 U A 3 -3.629 -3.019 0.755 1.00 0.40 H new ATOM 0 H6 U A 3 -5.076 -3.927 -0.937 1.00 0.39 H new ATOM 97 P G A 4 -4.015 -6.983 -4.861 1.00 0.33 P ATOM 98 OP1 G A 4 -4.314 -7.949 -5.942 1.00 0.38 O ATOM 99 OP2 G A 4 -3.751 -7.476 -3.490 1.00 0.36 O ATOM 100 O5' G A 4 -2.754 -6.080 -5.326 1.00 0.28 O ATOM 101 C5' G A 4 -2.786 -5.382 -6.579 1.00 0.30 C ATOM 102 C4' G A 4 -2.619 -3.874 -6.395 1.00 0.33 C ATOM 103 O4' G A 4 -3.100 -3.464 -5.110 1.00 0.39 O ATOM 104 C3' G A 4 -1.175 -3.429 -6.437 1.00 0.28 C ATOM 105 O3' G A 4 -0.732 -3.164 -7.769 1.00 0.35 O ATOM 106 C2' G A 4 -1.151 -2.180 -5.592 1.00 0.38 C ATOM 107 O2' G A 4 -1.272 -1.009 -6.408 1.00 0.47 O ATOM 108 C1' G A 4 -2.347 -2.325 -4.660 1.00 0.40 C ATOM 109 N9 G A 4 -1.895 -2.473 -3.274 1.00 0.40 N ATOM 110 C8 G A 4 -2.149 -3.419 -2.362 1.00 0.39 C ATOM 111 N7 G A 4 -1.633 -3.321 -1.183 1.00 0.41 N ATOM 112 C5 G A 4 -0.927 -2.109 -1.320 1.00 0.42 C ATOM 113 C6 G A 4 -0.132 -1.386 -0.384 1.00 0.45 C ATOM 114 O6 G A 4 0.119 -1.663 0.789 1.00 0.48 O ATOM 115 N1 G A 4 0.373 -0.219 -0.948 1.00 0.45 N ATOM 116 C2 G A 4 0.147 0.198 -2.240 1.00 0.44 C ATOM 117 N2 G A 4 0.691 1.350 -2.589 1.00 0.46 N ATOM 118 N3 G A 4 -0.586 -0.466 -3.117 1.00 0.43 N ATOM 119 C4 G A 4 -1.092 -1.598 -2.601 1.00 0.41 C ATOM 0 H5' G A 4 -3.731 -5.584 -7.083 1.00 0.30 H new ATOM 0 H5'' G A 4 -1.993 -5.759 -7.225 1.00 0.30 H new ATOM 0 H4' G A 4 -3.179 -3.428 -7.217 1.00 0.33 H new ATOM 0 H3' G A 4 -0.500 -4.201 -6.067 1.00 0.28 H new ATOM 0 H2' G A 4 -0.215 -2.068 -5.045 1.00 0.38 H new ATOM 0 HO2' G A 4 -1.171 -1.256 -7.351 1.00 0.47 H new ATOM 0 H1' G A 4 -2.980 -1.438 -4.683 1.00 0.40 H new ATOM 0 H8 G A 4 -2.781 -4.258 -2.611 1.00 0.39 H new ATOM 0 H1 G A 4 0.956 0.374 -0.358 1.00 0.45 H new ATOM 0 H21 G A 4 0.559 1.711 -3.534 1.00 0.46 H new ATOM 0 H22 G A 4 1.244 1.878 -1.914 1.00 0.46 H new ATOM 131 P U A 5 0.661 -3.781 -8.284 1.00 0.40 P ATOM 132 OP1 U A 5 1.181 -2.911 -9.364 1.00 0.47 O ATOM 133 OP2 U A 5 0.463 -5.226 -8.533 1.00 0.63 O ATOM 134 O5' U A 5 1.618 -3.618 -6.993 1.00 0.36 O ATOM 135 C5' U A 5 2.580 -2.559 -6.918 1.00 0.43 C ATOM 136 C4' U A 5 3.279 -2.512 -5.560 1.00 0.35 C ATOM 137 O4' U A 5 2.343 -2.273 -4.479 1.00 0.29 O ATOM 138 C3' U A 5 3.954 -3.827 -5.226 1.00 0.35 C ATOM 139 O3' U A 5 5.224 -4.023 -5.908 1.00 0.46 O ATOM 140 C2' U A 5 4.013 -3.793 -3.725 1.00 0.28 C ATOM 141 O2' U A 5 5.103 -3.006 -3.236 1.00 0.30 O ATOM 142 C1' U A 5 2.702 -3.121 -3.355 1.00 0.23 C ATOM 143 N1 U A 5 1.654 -4.135 -3.092 1.00 0.23 N ATOM 144 C2 U A 5 1.414 -4.481 -1.777 1.00 0.32 C ATOM 145 O2 U A 5 2.028 -3.979 -0.846 1.00 0.42 O ATOM 146 N3 U A 5 0.443 -5.437 -1.565 1.00 0.37 N ATOM 147 C4 U A 5 -0.303 -6.071 -2.538 1.00 0.35 C ATOM 148 O4 U A 5 -1.145 -6.910 -2.228 1.00 0.44 O ATOM 149 C5 U A 5 0.009 -5.654 -3.884 1.00 0.32 C ATOM 150 C6 U A 5 0.960 -4.716 -4.118 1.00 0.28 C ATOM 0 H5' U A 5 2.084 -1.606 -7.103 1.00 0.43 H new ATOM 0 H5'' U A 5 3.324 -2.689 -7.704 1.00 0.43 H new ATOM 0 H4' U A 5 4.004 -1.703 -5.645 1.00 0.35 H new ATOM 0 H3' U A 5 3.413 -4.703 -5.585 1.00 0.35 H new ATOM 0 H2' U A 5 4.157 -4.787 -3.301 1.00 0.28 H new ATOM 0 HO2' U A 5 5.250 -2.244 -3.834 1.00 0.30 H new ATOM 0 H1' U A 5 2.801 -2.531 -2.444 1.00 0.23 H new ATOM 0 H3 U A 5 0.259 -5.701 -0.597 1.00 0.37 H new ATOM 0 H5 U A 5 -0.522 -6.094 -4.715 1.00 0.32 H new ATOM 0 H6 U A 5 1.174 -4.422 -5.135 1.00 0.28 H new ATOM 161 P G A 6 6.499 -3.028 -5.841 1.00 0.51 P ATOM 162 OP1 G A 6 6.201 -1.939 -4.883 1.00 0.64 O ATOM 163 OP2 G A 6 6.880 -2.688 -7.229 1.00 0.42 O ATOM 164 O5' G A 6 7.666 -3.970 -5.223 1.00 0.57 O ATOM 165 C5' G A 6 8.317 -3.644 -3.992 1.00 0.53 C ATOM 166 C4' G A 6 7.797 -4.476 -2.818 1.00 0.50 C ATOM 167 O4' G A 6 6.423 -4.840 -3.001 1.00 0.45 O ATOM 168 C3' G A 6 8.554 -5.764 -2.607 1.00 0.63 C ATOM 169 O3' G A 6 9.735 -5.515 -1.809 1.00 0.68 O ATOM 170 C2' G A 6 7.527 -6.656 -1.940 1.00 0.63 C ATOM 171 O2' G A 6 7.603 -6.587 -0.513 1.00 0.66 O ATOM 172 C1' G A 6 6.193 -6.133 -2.420 1.00 0.52 C ATOM 173 N9 G A 6 5.606 -7.069 -3.395 1.00 0.56 N ATOM 174 C8 G A 6 4.747 -8.070 -3.190 1.00 0.60 C ATOM 175 N7 G A 6 4.349 -8.794 -4.170 1.00 0.65 N ATOM 176 C5 G A 6 5.052 -8.195 -5.225 1.00 0.67 C ATOM 177 C6 G A 6 5.069 -8.514 -6.609 1.00 0.76 C ATOM 178 O6 G A 6 4.456 -9.402 -7.197 1.00 0.83 O ATOM 179 N1 G A 6 5.909 -7.667 -7.315 1.00 0.81 N ATOM 180 C2 G A 6 6.645 -6.638 -6.767 1.00 0.76 C ATOM 181 N2 G A 6 7.399 -5.938 -7.606 1.00 0.85 N ATOM 182 N3 G A 6 6.637 -6.328 -5.470 1.00 0.66 N ATOM 183 C4 G A 6 5.828 -7.134 -4.756 1.00 0.62 C ATOM 0 H5' G A 6 8.171 -2.586 -3.776 1.00 0.53 H new ATOM 0 H5'' G A 6 9.390 -3.802 -4.099 1.00 0.53 H new ATOM 0 H4' G A 6 7.931 -3.829 -1.951 1.00 0.50 H new ATOM 0 H3' G A 6 8.941 -6.229 -3.514 1.00 0.63 H new ATOM 0 H2' G A 6 7.689 -7.703 -2.195 1.00 0.63 H new ATOM 0 HO2' G A 6 8.140 -7.335 -0.177 1.00 0.66 H new ATOM 0 H1' G A 6 5.484 -6.044 -1.597 1.00 0.52 H new ATOM 0 H8 G A 6 4.385 -8.271 -2.192 1.00 0.60 H new ATOM 0 H1 G A 6 5.989 -7.817 -8.321 1.00 0.81 H new ATOM 0 H21 G A 6 7.966 -5.164 -7.258 1.00 0.85 H new ATOM 0 H22 G A 6 7.412 -6.174 -8.598 1.00 0.85 H new ATOM 195 P A A 7 10.431 -6.622 -0.857 1.00 0.80 P ATOM 196 OP1 A A 7 11.860 -6.713 -1.234 1.00 0.91 O ATOM 197 OP2 A A 7 9.600 -7.849 -0.844 1.00 0.86 O ATOM 198 O5' A A 7 10.345 -5.938 0.607 1.00 0.76 O ATOM 199 C5' A A 7 9.181 -5.220 1.047 1.00 0.66 C ATOM 200 C4' A A 7 9.563 -3.909 1.736 1.00 0.62 C ATOM 201 O4' A A 7 9.924 -2.896 0.767 1.00 0.55 O ATOM 202 C3' A A 7 8.408 -3.333 2.542 1.00 0.58 C ATOM 203 O3' A A 7 8.850 -2.725 3.777 1.00 0.65 O ATOM 204 C2' A A 7 7.783 -2.331 1.626 1.00 0.45 C ATOM 205 O2' A A 7 7.210 -1.270 2.372 1.00 0.45 O ATOM 206 C1' A A 7 8.937 -1.836 0.793 1.00 0.43 C ATOM 207 N9 A A 7 8.532 -1.452 -0.565 1.00 0.37 N ATOM 208 C8 A A 7 7.508 -1.856 -1.339 1.00 0.33 C ATOM 209 N7 A A 7 7.352 -1.340 -2.505 1.00 0.34 N ATOM 210 C5 A A 7 8.439 -0.452 -2.531 1.00 0.39 C ATOM 211 C6 A A 7 8.912 0.451 -3.489 1.00 0.48 C ATOM 212 N6 A A 7 8.331 0.630 -4.673 1.00 0.54 N ATOM 213 N1 A A 7 10.012 1.162 -3.180 1.00 0.54 N ATOM 214 C2 A A 7 10.613 0.996 -1.997 1.00 0.51 C ATOM 215 N3 A A 7 10.253 0.176 -1.024 1.00 0.45 N ATOM 216 C4 A A 7 9.155 -0.522 -1.354 1.00 0.39 C ATOM 0 H5' A A 7 8.607 -5.841 1.735 1.00 0.66 H new ATOM 0 H5'' A A 7 8.537 -5.010 0.193 1.00 0.66 H new ATOM 0 H4' A A 7 10.402 -4.153 2.388 1.00 0.62 H new ATOM 0 H3' A A 7 7.706 -4.106 2.855 1.00 0.58 H new ATOM 0 H2' A A 7 6.979 -2.750 1.021 1.00 0.45 H new ATOM 0 HO2' A A 7 6.288 -1.121 2.074 1.00 0.45 H new ATOM 0 H1' A A 7 9.346 -0.928 1.236 1.00 0.43 H new ATOM 0 H8 A A 7 6.822 -2.609 -0.982 1.00 0.33 H new ATOM 0 H61 A A 7 8.718 1.303 -5.335 1.00 0.54 H new ATOM 0 H62 A A 7 7.498 0.095 -4.919 1.00 0.54 H new ATOM 0 H2 A A 7 11.490 1.599 -1.816 1.00 0.51 H new ATOM 228 P A A 8 10.016 -1.601 3.842 1.00 0.64 P ATOM 229 OP1 A A 8 11.166 -2.064 3.035 1.00 0.76 O ATOM 230 OP2 A A 8 10.221 -1.241 5.264 1.00 0.67 O ATOM 231 O5' A A 8 9.351 -0.327 3.099 1.00 0.52 O ATOM 232 C5' A A 8 10.189 0.703 2.549 1.00 0.49 C ATOM 233 C4' A A 8 9.402 1.951 2.144 1.00 0.40 C ATOM 234 O4' A A 8 8.273 1.640 1.274 1.00 0.33 O ATOM 235 C3' A A 8 8.834 2.668 3.353 1.00 0.46 C ATOM 236 O3' A A 8 8.959 4.093 3.179 1.00 0.46 O ATOM 237 C2' A A 8 7.403 2.196 3.410 1.00 0.47 C ATOM 238 O2' A A 8 6.514 3.131 4.024 1.00 0.54 O ATOM 239 C1' A A 8 7.030 1.940 1.965 1.00 0.36 C ATOM 240 N9 A A 8 6.035 0.853 1.880 1.00 0.36 N ATOM 241 C8 A A 8 5.380 0.238 2.875 1.00 0.43 C ATOM 242 N7 A A 8 4.514 -0.666 2.620 1.00 0.43 N ATOM 243 C5 A A 8 4.578 -0.678 1.222 1.00 0.33 C ATOM 244 C6 A A 8 3.900 -1.424 0.262 1.00 0.31 C ATOM 245 N6 A A 8 2.982 -2.332 0.577 1.00 0.36 N ATOM 246 N1 A A 8 4.193 -1.195 -1.027 1.00 0.26 N ATOM 247 C2 A A 8 5.106 -0.279 -1.359 1.00 0.25 C ATOM 248 N3 A A 8 5.815 0.495 -0.533 1.00 0.25 N ATOM 249 C4 A A 8 5.503 0.246 0.755 1.00 0.29 C ATOM 0 H5' A A 8 10.715 0.311 1.678 1.00 0.49 H new ATOM 0 H5'' A A 8 10.947 0.979 3.282 1.00 0.49 H new ATOM 0 H4' A A 8 10.119 2.580 1.617 1.00 0.40 H new ATOM 0 H3' A A 8 9.352 2.453 4.288 1.00 0.46 H new ATOM 0 H2' A A 8 7.313 1.308 4.036 1.00 0.47 H new ATOM 0 HO2' A A 8 6.879 3.409 4.890 1.00 0.54 H new ATOM 0 H1' A A 8 6.554 2.801 1.496 1.00 0.36 H new ATOM 0 H8 A A 8 5.586 0.509 3.900 1.00 0.43 H new ATOM 0 H61 A A 8 2.509 -2.856 -0.159 1.00 0.36 H new ATOM 0 H62 A A 8 2.750 -2.505 1.555 1.00 0.36 H new ATOM 0 H2 A A 8 5.292 -0.149 -2.415 1.00 0.25 H new ATOM 261 P C A 9 8.182 5.156 4.112 1.00 0.52 P ATOM 262 OP1 C A 9 8.952 6.421 4.115 1.00 0.62 O ATOM 263 OP2 C A 9 7.839 4.496 5.395 1.00 0.56 O ATOM 264 O5' C A 9 6.826 5.389 3.274 1.00 0.49 O ATOM 265 C5' C A 9 6.908 5.785 1.905 1.00 0.44 C ATOM 266 C4' C A 9 5.632 5.499 1.115 1.00 0.43 C ATOM 267 O4' C A 9 5.403 4.098 0.855 1.00 0.44 O ATOM 268 C3' C A 9 4.387 5.956 1.831 1.00 0.45 C ATOM 269 O3' C A 9 4.196 7.381 1.779 1.00 0.47 O ATOM 270 C2' C A 9 3.310 5.222 1.091 1.00 0.46 C ATOM 271 O2' C A 9 2.844 5.990 -0.021 1.00 0.48 O ATOM 272 C1' C A 9 3.978 3.948 0.603 1.00 0.44 C ATOM 273 N1 C A 9 3.377 2.784 1.289 1.00 0.45 N ATOM 274 C2 C A 9 2.589 1.940 0.520 1.00 0.43 C ATOM 275 O2 C A 9 2.474 2.136 -0.685 1.00 0.42 O ATOM 276 N3 C A 9 1.951 0.911 1.133 1.00 0.44 N ATOM 277 C4 C A 9 2.080 0.709 2.447 1.00 0.48 C ATOM 278 N4 C A 9 1.452 -0.322 3.007 1.00 0.50 N ATOM 279 C5 C A 9 2.895 1.573 3.249 1.00 0.51 C ATOM 280 C6 C A 9 3.524 2.593 2.632 1.00 0.49 C ATOM 0 H5' C A 9 7.743 5.266 1.433 1.00 0.44 H new ATOM 0 H5'' C A 9 7.126 6.852 1.855 1.00 0.44 H new ATOM 0 H4' C A 9 5.803 6.047 0.188 1.00 0.43 H new ATOM 0 H3' C A 9 4.414 5.746 2.900 1.00 0.45 H new ATOM 0 H2' C A 9 2.443 5.026 1.722 1.00 0.46 H new ATOM 0 HO2' C A 9 2.054 5.558 -0.409 1.00 0.48 H new ATOM 0 H1' C A 9 3.830 3.776 -0.463 1.00 0.44 H new ATOM 0 H41 C A 9 1.540 -0.490 4.009 1.00 0.50 H new ATOM 0 H42 C A 9 0.882 -0.944 2.434 1.00 0.50 H new ATOM 0 H5 C A 9 3.002 1.412 4.312 1.00 0.51 H new ATOM 0 H6 C A 9 4.148 3.263 3.204 1.00 0.49 H new ATOM 292 P A A 10 2.802 8.049 2.263 1.00 0.51 P ATOM 293 OP1 A A 10 3.027 9.500 2.450 1.00 0.56 O ATOM 294 OP2 A A 10 2.262 7.238 3.379 1.00 0.57 O ATOM 295 O5' A A 10 1.837 7.844 0.981 1.00 0.49 O ATOM 296 C5' A A 10 1.911 8.740 -0.135 1.00 0.51 C ATOM 297 C4' A A 10 0.970 8.341 -1.278 1.00 0.50 C ATOM 298 O4' A A 10 1.255 7.015 -1.782 1.00 0.56 O ATOM 299 C3' A A 10 -0.480 8.326 -0.839 1.00 0.43 C ATOM 300 O3' A A 10 -1.098 9.610 -0.963 1.00 0.42 O ATOM 301 C2' A A 10 -1.107 7.294 -1.723 1.00 0.47 C ATOM 302 O2' A A 10 -1.526 7.864 -2.969 1.00 0.53 O ATOM 303 C1' A A 10 0.006 6.289 -1.929 1.00 0.52 C ATOM 304 N9 A A 10 -0.094 5.234 -0.912 1.00 0.49 N ATOM 305 C8 A A 10 0.474 5.153 0.300 1.00 0.49 C ATOM 306 N7 A A 10 0.263 4.135 1.040 1.00 0.48 N ATOM 307 C5 A A 10 -0.591 3.402 0.208 1.00 0.45 C ATOM 308 C6 A A 10 -1.225 2.177 0.368 1.00 0.44 C ATOM 309 N6 A A 10 -1.066 1.436 1.464 1.00 0.45 N ATOM 310 N1 A A 10 -2.007 1.741 -0.645 1.00 0.43 N ATOM 311 C2 A A 10 -2.144 2.484 -1.753 1.00 0.44 C ATOM 312 N3 A A 10 -1.583 3.659 -2.009 1.00 0.47 N ATOM 313 C4 A A 10 -0.815 4.067 -0.983 1.00 0.47 C ATOM 0 H5' A A 10 2.935 8.768 -0.506 1.00 0.51 H new ATOM 0 H5'' A A 10 1.665 9.749 0.197 1.00 0.51 H new ATOM 0 H4' A A 10 1.135 9.091 -2.051 1.00 0.50 H new ATOM 0 H3' A A 10 -0.596 8.088 0.218 1.00 0.43 H new ATOM 0 H2' A A 10 -2.005 6.853 -1.291 1.00 0.47 H new ATOM 0 HO2' A A 10 -2.480 8.082 -2.924 1.00 0.53 H new ATOM 0 H1' A A 10 -0.054 5.819 -2.910 1.00 0.52 H new ATOM 0 H8 A A 10 1.111 5.951 0.651 1.00 0.49 H new ATOM 0 H61 A A 10 -1.547 0.541 1.548 1.00 0.45 H new ATOM 0 H62 A A 10 -0.463 1.764 2.218 1.00 0.45 H new ATOM 0 H2 A A 10 -2.783 2.080 -2.524 1.00 0.44 H new ATOM 325 P C A 11 -1.622 10.373 0.359 1.00 0.37 P ATOM 326 OP1 C A 11 -1.600 11.828 0.097 1.00 0.45 O ATOM 327 OP2 C A 11 -0.901 9.822 1.530 1.00 0.44 O ATOM 328 O5' C A 11 -3.159 9.899 0.453 1.00 0.32 O ATOM 329 C5' C A 11 -4.033 10.078 -0.663 1.00 0.39 C ATOM 330 C4' C A 11 -4.617 8.753 -1.145 1.00 0.39 C ATOM 331 O4' C A 11 -3.629 7.700 -1.139 1.00 0.33 O ATOM 332 C3' C A 11 -5.736 8.269 -0.253 1.00 0.41 C ATOM 333 O3' C A 11 -6.992 8.847 -0.628 1.00 0.56 O ATOM 334 C2' C A 11 -5.722 6.781 -0.459 1.00 0.36 C ATOM 335 O2' C A 11 -6.561 6.411 -1.559 1.00 0.48 O ATOM 336 C1' C A 11 -4.267 6.456 -0.746 1.00 0.27 C ATOM 337 N1 C A 11 -3.615 5.844 0.438 1.00 0.20 N ATOM 338 C2 C A 11 -3.974 4.541 0.752 1.00 0.20 C ATOM 339 O2 C A 11 -4.809 3.953 0.072 1.00 0.22 O ATOM 340 N3 C A 11 -3.379 3.941 1.817 1.00 0.26 N ATOM 341 C4 C A 11 -2.467 4.592 2.549 1.00 0.34 C ATOM 342 N4 C A 11 -1.892 3.970 3.575 1.00 0.47 N ATOM 343 C5 C A 11 -2.094 5.939 2.233 1.00 0.33 C ATOM 344 C6 C A 11 -2.691 6.524 1.175 1.00 0.24 C ATOM 0 H5' C A 11 -3.488 10.553 -1.479 1.00 0.39 H new ATOM 0 H5'' C A 11 -4.843 10.753 -0.386 1.00 0.39 H new ATOM 0 H4' C A 11 -4.978 8.954 -2.154 1.00 0.39 H new ATOM 0 H3' C A 11 -5.602 8.551 0.791 1.00 0.41 H new ATOM 0 H2' C A 11 -6.104 6.236 0.404 1.00 0.36 H new ATOM 0 HO2' C A 11 -7.164 7.153 -1.774 1.00 0.48 H new ATOM 0 H1' C A 11 -4.178 5.721 -1.546 1.00 0.27 H new ATOM 0 H41 C A 11 -1.196 4.455 4.140 1.00 0.47 H new ATOM 0 H42 C A 11 -2.148 3.008 3.796 1.00 0.47 H new ATOM 0 H5 C A 11 -1.360 6.468 2.822 1.00 0.33 H new ATOM 0 H6 C A 11 -2.435 7.539 0.909 1.00 0.24 H new ATOM 356 P C A 12 -7.648 10.029 0.251 1.00 0.64 P ATOM 357 OP1 C A 12 -8.066 11.114 -0.664 1.00 0.74 O ATOM 358 OP2 C A 12 -6.741 10.324 1.384 1.00 0.60 O ATOM 359 O5' C A 12 -8.973 9.327 0.841 1.00 0.78 O ATOM 360 C5' C A 12 -9.960 8.773 -0.037 1.00 0.90 C ATOM 361 C4' C A 12 -10.380 7.372 0.400 1.00 0.90 C ATOM 362 O4' C A 12 -9.245 6.484 0.449 1.00 0.73 O ATOM 363 C3' C A 12 -11.007 7.392 1.781 1.00 1.01 C ATOM 364 O3' C A 12 -12.437 7.370 1.702 1.00 1.21 O ATOM 365 C2' C A 12 -10.483 6.164 2.483 1.00 0.90 C ATOM 366 O2' C A 12 -11.499 5.155 2.569 1.00 1.01 O ATOM 367 C1' C A 12 -9.307 5.676 1.645 1.00 0.71 C ATOM 368 N1 C A 12 -8.043 5.764 2.409 1.00 0.59 N ATOM 369 C2 C A 12 -7.672 4.658 3.161 1.00 0.55 C ATOM 370 O2 C A 12 -8.402 3.671 3.214 1.00 0.59 O ATOM 371 N3 C A 12 -6.496 4.702 3.842 1.00 0.54 N ATOM 372 C4 C A 12 -5.715 5.788 3.788 1.00 0.53 C ATOM 373 N4 C A 12 -4.563 5.797 4.456 1.00 0.59 N ATOM 374 C5 C A 12 -6.092 6.932 3.018 1.00 0.52 C ATOM 375 C6 C A 12 -7.260 6.878 2.349 1.00 0.57 C ATOM 0 H5' C A 12 -9.564 8.735 -1.052 1.00 0.90 H new ATOM 0 H5'' C A 12 -10.834 9.424 -0.060 1.00 0.90 H new ATOM 0 H4' C A 12 -11.104 7.020 -0.335 1.00 0.90 H new ATOM 0 H3' C A 12 -10.750 8.303 2.322 1.00 1.01 H new ATOM 0 H2' C A 12 -10.179 6.388 3.505 1.00 0.90 H new ATOM 0 HO2' C A 12 -12.349 5.519 2.245 1.00 1.01 H new ATOM 0 HO3' C A 12 -12.815 7.382 2.606 1.00 1.21 H new ATOM 0 H1' C A 12 -9.447 4.628 1.379 1.00 0.71 H new ATOM 0 H41 C A 12 -3.960 6.619 4.422 1.00 0.59 H new ATOM 0 H42 C A 12 -4.284 4.982 5.002 1.00 0.59 H new ATOM 0 H5 C A 12 -5.463 7.809 2.974 1.00 0.52 H new ATOM 0 H6 C A 12 -7.579 7.725 1.760 1.00 0.57 H new TER 388 C A 12