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= 0.443 USER MOD Single : A 1 G O5' : rot -63:sc= -2.04! USER MOD Single : A 2 G O2' : rot -147:sc= 0.167 USER MOD Single : A 3 U O2' : rot -16:sc= 0.226 USER MOD Single : A 4 G O2' : rot -12:sc= 0.256 USER MOD Single : A 5 U O2' : rot 81:sc= -0.872! USER MOD Single : A 6 G O2' : rot -96:sc= -6.08! USER MOD Single : A 7 A O2' : rot -136:sc= -3.16! USER MOD Single : A 8 A O2' : rot -56:sc= -2.8! USER MOD Single : A 9 C O2' : rot -172:sc= -3.2! USER MOD Single : A 10 A O2' : rot -15:sc= 0.161 USER MOD Single : A 11 C O2' : rot -17:sc= 0.248 USER MOD Single : A 12 C O2' : rot -7:sc= 0.38 USER MOD Single : A 12 C O3' : rot 180:sc= 0.298 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.218 -2.536 6.779 1.00 0.57 O ATOM 2 C5' G A 1 -3.505 -3.907 7.068 1.00 0.61 C ATOM 3 C4' G A 1 -4.837 -4.081 7.799 1.00 0.58 C ATOM 4 O4' G A 1 -5.113 -2.959 8.664 1.00 0.61 O ATOM 5 C3' G A 1 -5.983 -4.187 6.807 1.00 0.50 C ATOM 6 O3' G A 1 -6.735 -5.377 7.049 1.00 0.54 O ATOM 7 C2' G A 1 -6.820 -2.949 6.985 1.00 0.48 C ATOM 8 O2' G A 1 -8.146 -3.292 7.403 1.00 0.56 O ATOM 9 C1' G A 1 -6.114 -2.126 8.047 1.00 0.54 C ATOM 10 N9 G A 1 -5.484 -0.913 7.492 1.00 0.50 N ATOM 11 C8 G A 1 -4.276 -0.380 7.756 1.00 0.55 C ATOM 12 N7 G A 1 -3.946 0.749 7.253 1.00 0.53 N ATOM 13 C5 G A 1 -5.104 1.046 6.523 1.00 0.44 C ATOM 14 C6 G A 1 -5.399 2.170 5.715 1.00 0.38 C ATOM 15 O6 G A 1 -4.696 3.148 5.488 1.00 0.41 O ATOM 16 N1 G A 1 -6.662 2.077 5.154 1.00 0.34 N ATOM 17 C2 G A 1 -7.543 1.034 5.343 1.00 0.36 C ATOM 18 N2 G A 1 -8.703 1.123 4.706 1.00 0.40 N ATOM 19 N3 G A 1 -7.281 -0.032 6.106 1.00 0.40 N ATOM 20 C4 G A 1 -6.053 0.033 6.663 1.00 0.43 C ATOM 0 H5' G A 1 -2.702 -4.323 7.677 1.00 0.61 H new ATOM 0 H5'' G A 1 -3.527 -4.475 6.138 1.00 0.61 H new ATOM 0 H4' G A 1 -4.754 -4.993 8.390 1.00 0.58 H new ATOM 0 H3' G A 1 -5.624 -4.252 5.780 1.00 0.50 H new ATOM 0 H2' G A 1 -6.922 -2.394 6.052 1.00 0.48 H new ATOM 0 HO2' G A 1 -8.238 -4.267 7.432 1.00 0.56 H new ATOM 0 HO5' G A 1 -3.899 -2.180 6.170 1.00 0.57 H new ATOM 0 H1' G A 1 -6.852 -1.791 8.775 1.00 0.54 H new ATOM 0 H8 G A 1 -3.583 -0.908 8.395 1.00 0.55 H new ATOM 0 H1 G A 1 -6.965 2.843 4.552 1.00 0.34 H new ATOM 0 H21 G A 1 -9.398 0.383 4.805 1.00 0.40 H new ATOM 0 H22 G A 1 -8.900 1.932 4.117 1.00 0.40 H new ATOM 33 P G A 2 -6.136 -6.793 6.574 1.00 0.58 P ATOM 34 OP1 G A 2 -7.201 -7.812 6.699 1.00 0.65 O ATOM 35 OP2 G A 2 -4.834 -6.998 7.247 1.00 0.72 O ATOM 36 O5' G A 2 -5.863 -6.529 5.008 1.00 0.48 O ATOM 37 C5' G A 2 -6.922 -6.705 4.069 1.00 0.39 C ATOM 38 C4' G A 2 -6.983 -5.599 3.017 1.00 0.31 C ATOM 39 O4' G A 2 -7.029 -4.267 3.579 1.00 0.31 O ATOM 40 C3' G A 2 -5.788 -5.605 2.089 1.00 0.30 C ATOM 41 O3' G A 2 -5.903 -6.630 1.089 1.00 0.32 O ATOM 42 C2' G A 2 -5.844 -4.221 1.502 1.00 0.26 C ATOM 43 O2' G A 2 -6.678 -4.180 0.338 1.00 0.25 O ATOM 44 C1' G A 2 -6.419 -3.365 2.617 1.00 0.26 C ATOM 45 N9 G A 2 -5.391 -2.470 3.184 1.00 0.28 N ATOM 46 C8 G A 2 -4.488 -2.648 4.159 1.00 0.35 C ATOM 47 N7 G A 2 -3.673 -1.699 4.461 1.00 0.37 N ATOM 48 C5 G A 2 -4.081 -0.717 3.545 1.00 0.29 C ATOM 49 C6 G A 2 -3.592 0.603 3.326 1.00 0.28 C ATOM 50 O6 G A 2 -2.686 1.192 3.911 1.00 0.34 O ATOM 51 N1 G A 2 -4.288 1.239 2.306 1.00 0.23 N ATOM 52 C2 G A 2 -5.323 0.685 1.586 1.00 0.20 C ATOM 53 N2 G A 2 -5.867 1.446 0.646 1.00 0.23 N ATOM 54 N3 G A 2 -5.789 -0.543 1.781 1.00 0.20 N ATOM 55 C4 G A 2 -5.132 -1.189 2.765 1.00 0.24 C ATOM 0 H5' G A 2 -7.871 -6.742 4.604 1.00 0.39 H new ATOM 0 H5'' G A 2 -6.800 -7.666 3.570 1.00 0.39 H new ATOM 0 H4' G A 2 -7.905 -5.822 2.481 1.00 0.31 H new ATOM 0 H3' G A 2 -4.841 -5.825 2.583 1.00 0.30 H new ATOM 0 H2' G A 2 -4.865 -3.874 1.172 1.00 0.26 H new ATOM 0 HO2' G A 2 -6.322 -3.523 -0.297 1.00 0.25 H new ATOM 0 H1' G A 2 -7.189 -2.686 2.250 1.00 0.26 H new ATOM 0 H8 G A 2 -4.445 -3.587 4.691 1.00 0.35 H new ATOM 0 H1 G A 2 -4.010 2.192 2.072 1.00 0.23 H new ATOM 0 H21 G A 2 -6.637 1.087 0.082 1.00 0.23 H new ATOM 0 H22 G A 2 -5.515 2.390 0.487 1.00 0.23 H new ATOM 67 P U A 3 -4.809 -6.777 -0.085 1.00 0.36 P ATOM 68 OP1 U A 3 -4.960 -8.119 -0.694 1.00 0.45 O ATOM 69 OP2 U A 3 -3.493 -6.346 0.439 1.00 0.42 O ATOM 70 O5' U A 3 -5.309 -5.674 -1.148 1.00 0.31 O ATOM 71 C5' U A 3 -6.417 -5.941 -2.013 1.00 0.31 C ATOM 72 C4' U A 3 -6.471 -4.951 -3.169 1.00 0.29 C ATOM 73 O4' U A 3 -6.766 -3.604 -2.709 1.00 0.28 O ATOM 74 C3' U A 3 -5.135 -4.880 -3.877 1.00 0.29 C ATOM 75 O3' U A 3 -5.022 -5.816 -4.959 1.00 0.32 O ATOM 76 C2' U A 3 -5.064 -3.464 -4.352 1.00 0.29 C ATOM 77 O2' U A 3 -5.649 -3.330 -5.651 1.00 0.34 O ATOM 78 C1' U A 3 -5.835 -2.674 -3.326 1.00 0.28 C ATOM 79 N1 U A 3 -4.926 -2.085 -2.316 1.00 0.26 N ATOM 80 C2 U A 3 -4.489 -0.778 -2.484 1.00 0.27 C ATOM 81 O2 U A 3 -4.788 -0.105 -3.466 1.00 0.32 O ATOM 82 N3 U A 3 -3.682 -0.278 -1.474 1.00 0.26 N ATOM 83 C4 U A 3 -3.295 -0.957 -0.339 1.00 0.25 C ATOM 84 O4 U A 3 -2.609 -0.415 0.507 1.00 0.27 O ATOM 85 C5 U A 3 -3.787 -2.300 -0.258 1.00 0.25 C ATOM 86 C6 U A 3 -4.567 -2.810 -1.233 1.00 0.25 C ATOM 0 H5' U A 3 -7.345 -5.889 -1.444 1.00 0.31 H new ATOM 0 H5'' U A 3 -6.339 -6.955 -2.404 1.00 0.31 H new ATOM 0 H4' U A 3 -7.256 -5.306 -3.836 1.00 0.29 H new ATOM 0 H3' U A 3 -4.310 -5.150 -3.218 1.00 0.29 H new ATOM 0 H2' U A 3 -4.036 -3.114 -4.448 1.00 0.29 H new ATOM 0 HO2' U A 3 -5.746 -4.216 -6.059 1.00 0.34 H new ATOM 0 H1' U A 3 -6.362 -1.840 -3.789 1.00 0.28 H new ATOM 0 H3 U A 3 -3.344 0.679 -1.580 1.00 0.26 H new ATOM 0 H5 U A 3 -3.530 -2.912 0.594 1.00 0.25 H new ATOM 0 H6 U A 3 -4.915 -3.829 -1.146 1.00 0.25 H new ATOM 97 P G A 4 -3.811 -6.893 -4.980 1.00 0.32 P ATOM 98 OP1 G A 4 -4.057 -7.837 -6.094 1.00 0.39 O ATOM 99 OP2 G A 4 -3.635 -7.408 -3.605 1.00 0.33 O ATOM 100 O5' G A 4 -2.516 -5.995 -5.352 1.00 0.30 O ATOM 101 C5' G A 4 -2.432 -5.343 -6.626 1.00 0.31 C ATOM 102 C4' G A 4 -2.267 -3.829 -6.487 1.00 0.30 C ATOM 103 O4' G A 4 -2.858 -3.356 -5.268 1.00 0.31 O ATOM 104 C3' G A 4 -0.821 -3.390 -6.420 1.00 0.29 C ATOM 105 O3' G A 4 -0.248 -3.217 -7.720 1.00 0.32 O ATOM 106 C2' G A 4 -0.875 -2.091 -5.663 1.00 0.32 C ATOM 107 O2' G A 4 -0.978 -0.979 -6.560 1.00 0.37 O ATOM 108 C1' G A 4 -2.120 -2.213 -4.792 1.00 0.30 C ATOM 109 N9 G A 4 -1.732 -2.346 -3.386 1.00 0.29 N ATOM 110 C8 G A 4 -1.997 -3.301 -2.484 1.00 0.29 C ATOM 111 N7 G A 4 -1.520 -3.195 -1.290 1.00 0.30 N ATOM 112 C5 G A 4 -0.833 -1.971 -1.399 1.00 0.29 C ATOM 113 C6 G A 4 -0.079 -1.237 -0.436 1.00 0.30 C ATOM 114 O6 G A 4 0.143 -1.516 0.741 1.00 0.33 O ATOM 115 N1 G A 4 0.421 -0.058 -0.981 1.00 0.30 N ATOM 116 C2 G A 4 0.227 0.362 -2.276 1.00 0.30 C ATOM 117 N2 G A 4 0.761 1.523 -2.603 1.00 0.32 N ATOM 118 N3 G A 4 -0.468 -0.312 -3.177 1.00 0.30 N ATOM 119 C4 G A 4 -0.968 -1.456 -2.683 1.00 0.29 C ATOM 0 H5' G A 4 -3.332 -5.558 -7.203 1.00 0.31 H new ATOM 0 H5'' G A 4 -1.590 -5.749 -7.186 1.00 0.31 H new ATOM 0 H4' G A 4 -2.749 -3.420 -7.375 1.00 0.30 H new ATOM 0 H3' G A 4 -0.187 -4.134 -5.938 1.00 0.29 H new ATOM 0 H2' G A 4 0.025 -1.915 -5.074 1.00 0.32 H new ATOM 0 HO2' G A 4 -0.796 -1.279 -7.475 1.00 0.37 H new ATOM 0 H1' G A 4 -2.749 -1.325 -4.856 1.00 0.30 H new ATOM 0 H8 G A 4 -2.605 -4.152 -2.754 1.00 0.29 H new ATOM 0 H1 G A 4 0.976 0.543 -0.371 1.00 0.30 H new ATOM 0 H21 G A 4 0.651 1.887 -3.550 1.00 0.32 H new ATOM 0 H22 G A 4 1.284 2.057 -1.909 1.00 0.32 H new ATOM 131 P U A 5 1.056 -4.064 -8.137 1.00 0.32 P ATOM 132 OP1 U A 5 1.682 -3.404 -9.305 1.00 0.45 O ATOM 133 OP2 U A 5 0.674 -5.492 -8.210 1.00 0.49 O ATOM 134 O5' U A 5 2.026 -3.868 -6.865 1.00 0.32 O ATOM 135 C5' U A 5 2.697 -2.623 -6.641 1.00 0.36 C ATOM 136 C4' U A 5 3.114 -2.462 -5.182 1.00 0.36 C ATOM 137 O4' U A 5 1.971 -2.544 -4.305 1.00 0.38 O ATOM 138 C3' U A 5 4.085 -3.553 -4.760 1.00 0.36 C ATOM 139 O3' U A 5 5.449 -3.115 -4.865 1.00 0.46 O ATOM 140 C2' U A 5 3.711 -3.870 -3.340 1.00 0.39 C ATOM 141 O2' U A 5 4.567 -3.198 -2.415 1.00 0.48 O ATOM 142 C1' U A 5 2.275 -3.409 -3.187 1.00 0.42 C ATOM 143 N1 U A 5 1.380 -4.582 -3.155 1.00 0.47 N ATOM 144 C2 U A 5 0.863 -4.962 -1.932 1.00 0.60 C ATOM 145 O2 U A 5 1.101 -4.343 -0.898 1.00 0.68 O ATOM 146 N3 U A 5 0.069 -6.090 -1.934 1.00 0.71 N ATOM 147 C4 U A 5 -0.250 -6.863 -3.034 1.00 0.72 C ATOM 148 O4 U A 5 -0.960 -7.856 -2.915 1.00 0.86 O ATOM 149 C5 U A 5 0.331 -6.393 -4.270 1.00 0.60 C ATOM 150 C6 U A 5 1.112 -5.289 -4.294 1.00 0.47 C ATOM 0 H5' U A 5 2.041 -1.800 -6.925 1.00 0.36 H new ATOM 0 H5'' U A 5 3.578 -2.564 -7.280 1.00 0.36 H new ATOM 0 H4' U A 5 3.588 -1.484 -5.103 1.00 0.36 H new ATOM 0 H3' U A 5 4.018 -4.431 -5.403 1.00 0.36 H new ATOM 0 H2' U A 5 3.818 -4.934 -3.128 1.00 0.39 H new ATOM 0 HO2' U A 5 4.266 -2.272 -2.303 1.00 0.48 H new ATOM 0 H1' U A 5 2.132 -2.862 -2.255 1.00 0.42 H new ATOM 0 H3 U A 5 -0.320 -6.381 -1.037 1.00 0.71 H new ATOM 0 H5 U A 5 0.139 -6.930 -5.187 1.00 0.60 H new ATOM 0 H6 U A 5 1.533 -4.959 -5.232 1.00 0.47 H new ATOM 161 P G A 6 6.371 -3.549 -6.121 1.00 0.55 P ATOM 162 OP1 G A 6 7.119 -2.352 -6.572 1.00 0.59 O ATOM 163 OP2 G A 6 5.527 -4.291 -7.087 1.00 0.69 O ATOM 164 O5' G A 6 7.430 -4.584 -5.468 1.00 0.54 O ATOM 165 C5' G A 6 8.308 -4.140 -4.429 1.00 0.49 C ATOM 166 C4' G A 6 7.810 -4.545 -3.041 1.00 0.39 C ATOM 167 O4' G A 6 6.375 -4.630 -3.014 1.00 0.36 O ATOM 168 C3' G A 6 8.332 -5.897 -2.591 1.00 0.45 C ATOM 169 O3' G A 6 9.589 -5.713 -1.895 1.00 0.47 O ATOM 170 C2' G A 6 7.215 -6.455 -1.726 1.00 0.45 C ATOM 171 O2' G A 6 7.448 -6.239 -0.336 1.00 0.47 O ATOM 172 C1' G A 6 5.973 -5.720 -2.157 1.00 0.38 C ATOM 173 N9 G A 6 5.051 -6.661 -2.825 1.00 0.42 N ATOM 174 C8 G A 6 4.068 -7.388 -2.290 1.00 0.49 C ATOM 175 N7 G A 6 3.371 -8.178 -3.020 1.00 0.55 N ATOM 176 C5 G A 6 3.977 -7.966 -4.264 1.00 0.53 C ATOM 177 C6 G A 6 3.685 -8.544 -5.526 1.00 0.63 C ATOM 178 O6 G A 6 2.816 -9.365 -5.809 1.00 0.71 O ATOM 179 N1 G A 6 4.531 -8.064 -6.512 1.00 0.68 N ATOM 180 C2 G A 6 5.536 -7.142 -6.317 1.00 0.66 C ATOM 181 N2 G A 6 6.249 -6.819 -7.388 1.00 0.79 N ATOM 182 N3 G A 6 5.820 -6.588 -5.137 1.00 0.54 N ATOM 183 C4 G A 6 5.013 -7.036 -4.155 1.00 0.47 C ATOM 0 H5' G A 6 8.405 -3.055 -4.476 1.00 0.49 H new ATOM 0 H5'' G A 6 9.302 -4.556 -4.593 1.00 0.49 H new ATOM 0 H4' G A 6 8.182 -3.770 -2.371 1.00 0.39 H new ATOM 0 H3' G A 6 8.559 -6.594 -3.398 1.00 0.45 H new ATOM 0 H2' G A 6 7.135 -7.535 -1.854 1.00 0.45 H new ATOM 0 HO2' G A 6 7.852 -7.041 0.056 1.00 0.47 H new ATOM 0 H1' G A 6 5.436 -5.305 -1.304 1.00 0.38 H new ATOM 0 H8 G A 6 3.858 -7.310 -1.233 1.00 0.49 H new ATOM 0 H1 G A 6 4.399 -8.422 -7.458 1.00 0.68 H new ATOM 0 H21 G A 6 7.008 -6.142 -7.310 1.00 0.79 H new ATOM 0 H22 G A 6 6.038 -7.248 -8.289 1.00 0.79 H new ATOM 195 P A A 7 10.170 -6.719 -0.767 1.00 0.54 P ATOM 196 OP1 A A 7 11.538 -7.113 -1.170 1.00 0.62 O ATOM 197 OP2 A A 7 9.165 -7.768 -0.474 1.00 0.65 O ATOM 198 O5' A A 7 10.289 -5.751 0.526 1.00 0.46 O ATOM 199 C5' A A 7 9.156 -5.027 1.033 1.00 0.40 C ATOM 200 C4' A A 7 9.573 -3.754 1.767 1.00 0.38 C ATOM 201 O4' A A 7 9.989 -2.736 0.830 1.00 0.37 O ATOM 202 C3' A A 7 8.410 -3.160 2.545 1.00 0.36 C ATOM 203 O3' A A 7 8.833 -2.525 3.773 1.00 0.41 O ATOM 204 C2' A A 7 7.800 -2.187 1.590 1.00 0.31 C ATOM 205 O2' A A 7 7.213 -1.103 2.296 1.00 0.33 O ATOM 206 C1' A A 7 8.967 -1.711 0.752 1.00 0.31 C ATOM 207 N9 A A 7 8.585 -1.476 -0.653 1.00 0.34 N ATOM 208 C8 A A 7 7.526 -1.903 -1.367 1.00 0.36 C ATOM 209 N7 A A 7 7.423 -1.587 -2.607 1.00 0.44 N ATOM 210 C5 A A 7 8.592 -0.828 -2.767 1.00 0.50 C ATOM 211 C6 A A 7 9.148 -0.158 -3.863 1.00 0.64 C ATOM 212 N6 A A 7 8.585 -0.142 -5.069 1.00 0.73 N ATOM 213 N1 A A 7 10.311 0.488 -3.668 1.00 0.70 N ATOM 214 C2 A A 7 10.898 0.479 -2.467 1.00 0.63 C ATOM 215 N3 A A 7 10.463 -0.118 -1.365 1.00 0.50 N ATOM 216 C4 A A 7 9.300 -0.758 -1.582 1.00 0.43 C ATOM 0 H5' A A 7 8.590 -5.667 1.710 1.00 0.40 H new ATOM 0 H5'' A A 7 8.492 -4.769 0.208 1.00 0.40 H new ATOM 0 H4' A A 7 10.386 -4.038 2.436 1.00 0.38 H new ATOM 0 H3' A A 7 7.703 -3.922 2.874 1.00 0.36 H new ATOM 0 H2' A A 7 7.007 -2.628 0.987 1.00 0.31 H new ATOM 0 HO2' A A 7 6.334 -0.901 1.913 1.00 0.33 H new ATOM 0 H1' A A 7 9.327 -0.756 1.134 1.00 0.31 H new ATOM 0 H8 A A 7 6.766 -2.510 -0.898 1.00 0.36 H new ATOM 0 H61 A A 7 9.033 0.362 -5.834 1.00 0.73 H new ATOM 0 H62 A A 7 7.706 -0.634 -5.228 1.00 0.73 H new ATOM 0 H2 A A 7 11.830 1.018 -2.385 1.00 0.63 H new ATOM 228 P A A 8 9.983 -1.385 3.832 1.00 0.41 P ATOM 229 OP1 A A 8 11.160 -1.858 3.071 1.00 0.51 O ATOM 230 OP2 A A 8 10.144 -0.979 5.246 1.00 0.43 O ATOM 231 O5' A A 8 9.322 -0.144 3.034 1.00 0.36 O ATOM 232 C5' A A 8 10.150 0.912 2.529 1.00 0.35 C ATOM 233 C4' A A 8 9.355 2.180 2.209 1.00 0.30 C ATOM 234 O4' A A 8 8.261 1.924 1.283 1.00 0.30 O ATOM 235 C3' A A 8 8.738 2.779 3.459 1.00 0.32 C ATOM 236 O3' A A 8 8.834 4.218 3.406 1.00 0.32 O ATOM 237 C2' A A 8 7.317 2.273 3.433 1.00 0.32 C ATOM 238 O2' A A 8 6.388 3.134 4.095 1.00 0.37 O ATOM 239 C1' A A 8 6.994 2.136 1.960 1.00 0.30 C ATOM 240 N9 A A 8 6.031 1.039 1.745 1.00 0.32 N ATOM 241 C8 A A 8 5.304 0.370 2.648 1.00 0.37 C ATOM 242 N7 A A 8 4.475 -0.531 2.275 1.00 0.41 N ATOM 243 C5 A A 8 4.662 -0.474 0.888 1.00 0.39 C ATOM 244 C6 A A 8 4.085 -1.179 -0.170 1.00 0.45 C ATOM 245 N6 A A 8 3.161 -2.121 0.001 1.00 0.51 N ATOM 246 N1 A A 8 4.495 -0.874 -1.410 1.00 0.47 N ATOM 247 C2 A A 8 5.420 0.065 -1.607 1.00 0.43 C ATOM 248 N3 A A 8 6.036 0.801 -0.684 1.00 0.37 N ATOM 249 C4 A A 8 5.611 0.482 0.553 1.00 0.35 C ATOM 0 H5' A A 8 10.660 0.570 1.628 1.00 0.35 H new ATOM 0 H5'' A A 8 10.921 1.146 3.262 1.00 0.35 H new ATOM 0 H4' A A 8 10.074 2.866 1.762 1.00 0.30 H new ATOM 0 H3' A A 8 9.234 2.497 4.388 1.00 0.32 H new ATOM 0 H2' A A 8 7.230 1.334 3.979 1.00 0.32 H new ATOM 0 HO2' A A 8 6.683 3.286 5.017 1.00 0.37 H new ATOM 0 H1' A A 8 6.511 3.027 1.558 1.00 0.30 H new ATOM 0 H8 A A 8 5.418 0.592 3.699 1.00 0.37 H new ATOM 0 H61 A A 8 2.772 -2.606 -0.807 1.00 0.51 H new ATOM 0 H62 A A 8 2.842 -2.358 0.940 1.00 0.51 H new ATOM 0 H2 A A 8 5.702 0.250 -2.633 1.00 0.43 H new ATOM 261 P C A 9 8.001 5.187 4.392 1.00 0.34 P ATOM 262 OP1 C A 9 8.744 6.461 4.527 1.00 0.41 O ATOM 263 OP2 C A 9 7.627 4.419 5.605 1.00 0.40 O ATOM 264 O5' C A 9 6.670 5.465 3.526 1.00 0.32 O ATOM 265 C5' C A 9 6.790 5.990 2.203 1.00 0.35 C ATOM 266 C4' C A 9 5.565 5.715 1.331 1.00 0.33 C ATOM 267 O4' C A 9 5.376 4.321 1.011 1.00 0.33 O ATOM 268 C3' C A 9 4.276 6.128 1.991 1.00 0.31 C ATOM 269 O3' C A 9 4.061 7.551 1.966 1.00 0.34 O ATOM 270 C2' C A 9 3.252 5.397 1.178 1.00 0.30 C ATOM 271 O2' C A 9 2.831 6.183 0.060 1.00 0.33 O ATOM 272 C1' C A 9 3.966 4.146 0.699 1.00 0.31 C ATOM 273 N1 C A 9 3.367 2.962 1.349 1.00 0.30 N ATOM 274 C2 C A 9 2.603 2.122 0.553 1.00 0.30 C ATOM 275 O2 C A 9 2.501 2.336 -0.651 1.00 0.32 O ATOM 276 N3 C A 9 1.970 1.073 1.137 1.00 0.31 N ATOM 277 C4 C A 9 2.082 0.850 2.450 1.00 0.32 C ATOM 278 N4 C A 9 1.459 -0.197 2.983 1.00 0.34 N ATOM 279 C5 C A 9 2.869 1.711 3.280 1.00 0.33 C ATOM 280 C6 C A 9 3.493 2.750 2.690 1.00 0.31 C ATOM 0 H5' C A 9 7.671 5.559 1.727 1.00 0.35 H new ATOM 0 H5'' C A 9 6.953 7.066 2.260 1.00 0.35 H new ATOM 0 H4' C A 9 5.776 6.298 0.435 1.00 0.33 H new ATOM 0 H3' C A 9 4.252 5.887 3.054 1.00 0.31 H new ATOM 0 H2' C A 9 2.355 5.174 1.757 1.00 0.30 H new ATOM 0 HO2' C A 9 2.078 5.741 -0.386 1.00 0.33 H new ATOM 0 H1' C A 9 3.862 3.988 -0.374 1.00 0.31 H new ATOM 0 H41 C A 9 1.535 -0.381 3.983 1.00 0.34 H new ATOM 0 H42 C A 9 0.905 -0.816 2.391 1.00 0.34 H new ATOM 0 H5 C A 9 2.960 1.534 4.342 1.00 0.33 H new ATOM 0 H6 C A 9 4.097 3.420 3.284 1.00 0.31 H new ATOM 292 P A A 10 2.637 8.182 2.406 1.00 0.36 P ATOM 293 OP1 A A 10 2.825 9.634 2.627 1.00 0.38 O ATOM 294 OP2 A A 10 2.070 7.340 3.485 1.00 0.44 O ATOM 295 O5' A A 10 1.728 7.981 1.082 1.00 0.34 O ATOM 296 C5' A A 10 1.818 8.906 -0.010 1.00 0.39 C ATOM 297 C4' A A 10 0.905 8.527 -1.181 1.00 0.37 C ATOM 298 O4' A A 10 1.219 7.219 -1.716 1.00 0.38 O ATOM 299 C3' A A 10 -0.552 8.479 -0.769 1.00 0.32 C ATOM 300 O3' A A 10 -1.187 9.755 -0.880 1.00 0.34 O ATOM 301 C2' A A 10 -1.148 7.455 -1.684 1.00 0.31 C ATOM 302 O2' A A 10 -1.561 8.045 -2.921 1.00 0.36 O ATOM 303 C1' A A 10 -0.014 6.475 -1.894 1.00 0.34 C ATOM 304 N9 A A 10 -0.107 5.400 -0.901 1.00 0.31 N ATOM 305 C8 A A 10 0.452 5.305 0.314 1.00 0.31 C ATOM 306 N7 A A 10 0.251 4.270 1.032 1.00 0.29 N ATOM 307 C5 A A 10 -0.580 3.539 0.178 1.00 0.28 C ATOM 308 C6 A A 10 -1.192 2.301 0.309 1.00 0.27 C ATOM 309 N6 A A 10 -1.031 1.544 1.393 1.00 0.28 N ATOM 310 N1 A A 10 -1.957 1.870 -0.721 1.00 0.27 N ATOM 311 C2 A A 10 -2.099 2.631 -1.815 1.00 0.28 C ATOM 312 N3 A A 10 -1.557 3.821 -2.042 1.00 0.29 N ATOM 313 C4 A A 10 -0.806 4.222 -1.002 1.00 0.29 C ATOM 0 H5' A A 10 2.850 8.951 -0.359 1.00 0.39 H new ATOM 0 H5'' A A 10 1.556 9.904 0.342 1.00 0.39 H new ATOM 0 H4' A A 10 1.073 9.300 -1.930 1.00 0.37 H new ATOM 0 H3' A A 10 -0.683 8.217 0.281 1.00 0.32 H new ATOM 0 H2' A A 10 -2.044 6.987 -1.275 1.00 0.31 H new ATOM 0 HO2' A A 10 -1.596 9.019 -2.823 1.00 0.36 H new ATOM 0 H1' A A 10 -0.053 6.024 -2.885 1.00 0.34 H new ATOM 0 H8 A A 10 1.074 6.106 0.685 1.00 0.31 H new ATOM 0 H61 A A 10 -1.496 0.638 1.456 1.00 0.28 H new ATOM 0 H62 A A 10 -0.443 1.870 2.160 1.00 0.28 H new ATOM 0 H2 A A 10 -2.724 2.231 -2.600 1.00 0.28 H new ATOM 325 P C A 11 -1.732 10.490 0.450 1.00 0.35 P ATOM 326 OP1 C A 11 -1.745 11.948 0.203 1.00 0.42 O ATOM 327 OP2 C A 11 -0.998 9.944 1.616 1.00 0.41 O ATOM 328 O5' C A 11 -3.256 9.978 0.534 1.00 0.32 O ATOM 329 C5' C A 11 -4.130 10.140 -0.585 1.00 0.34 C ATOM 330 C4' C A 11 -4.695 8.806 -1.063 1.00 0.29 C ATOM 331 O4' C A 11 -3.689 7.771 -1.072 1.00 0.26 O ATOM 332 C3' C A 11 -5.792 8.299 -0.155 1.00 0.29 C ATOM 333 O3' C A 11 -7.062 8.859 -0.507 1.00 0.36 O ATOM 334 C2' C A 11 -5.758 6.813 -0.371 1.00 0.25 C ATOM 335 O2' C A 11 -6.608 6.435 -1.459 1.00 0.31 O ATOM 336 C1' C A 11 -4.302 6.515 -0.685 1.00 0.23 C ATOM 337 N1 C A 11 -3.625 5.900 0.481 1.00 0.21 N ATOM 338 C2 C A 11 -3.953 4.584 0.777 1.00 0.20 C ATOM 339 O2 C A 11 -4.788 3.995 0.101 1.00 0.23 O ATOM 340 N3 C A 11 -3.331 3.978 1.823 1.00 0.23 N ATOM 341 C4 C A 11 -2.421 4.634 2.551 1.00 0.26 C ATOM 342 N4 C A 11 -1.815 4.000 3.552 1.00 0.32 N ATOM 343 C5 C A 11 -2.078 5.994 2.256 1.00 0.27 C ATOM 344 C6 C A 11 -2.703 6.586 1.218 1.00 0.24 C ATOM 0 H5' C A 11 -3.590 10.619 -1.402 1.00 0.34 H new ATOM 0 H5'' C A 11 -4.950 10.805 -0.312 1.00 0.34 H new ATOM 0 H4' C A 11 -5.073 9.003 -2.066 1.00 0.29 H new ATOM 0 H3' C A 11 -5.646 8.576 0.889 1.00 0.29 H new ATOM 0 H2' C A 11 -6.118 6.257 0.494 1.00 0.25 H new ATOM 0 HO2' C A 11 -7.227 7.168 -1.661 1.00 0.31 H new ATOM 0 H1' C A 11 -4.214 5.792 -1.496 1.00 0.23 H new ATOM 0 H41 C A 11 -1.119 4.486 4.117 1.00 0.32 H new ATOM 0 H42 C A 11 -2.047 3.028 3.755 1.00 0.32 H new ATOM 0 H5 C A 11 -1.345 6.526 2.844 1.00 0.27 H new ATOM 0 H6 C A 11 -2.472 7.611 0.968 1.00 0.24 H new ATOM 356 P C A 12 -7.732 10.011 0.401 1.00 0.42 P ATOM 357 OP1 C A 12 -8.193 11.098 -0.492 1.00 0.51 O ATOM 358 OP2 C A 12 -6.811 10.312 1.521 1.00 0.46 O ATOM 359 O5' C A 12 -9.028 9.266 0.999 1.00 0.49 O ATOM 360 C5' C A 12 -10.027 8.725 0.123 1.00 0.54 C ATOM 361 C4' C A 12 -10.427 7.311 0.535 1.00 0.53 C ATOM 362 O4' C A 12 -9.285 6.434 0.558 1.00 0.45 O ATOM 363 C3' C A 12 -11.043 7.299 1.922 1.00 0.60 C ATOM 364 O3' C A 12 -12.473 7.270 1.853 1.00 0.74 O ATOM 365 C2' C A 12 -10.504 6.061 2.593 1.00 0.56 C ATOM 366 O2' C A 12 -11.511 5.041 2.665 1.00 0.64 O ATOM 367 C1' C A 12 -9.327 5.604 1.740 1.00 0.43 C ATOM 368 N1 C A 12 -8.057 5.696 2.494 1.00 0.37 N ATOM 369 C2 C A 12 -7.656 4.583 3.217 1.00 0.35 C ATOM 370 O2 C A 12 -8.366 3.579 3.259 1.00 0.38 O ATOM 371 N3 C A 12 -6.470 4.635 3.885 1.00 0.34 N ATOM 372 C4 C A 12 -5.711 5.738 3.845 1.00 0.35 C ATOM 373 N4 C A 12 -4.550 5.757 4.497 1.00 0.39 N ATOM 374 C5 C A 12 -6.122 6.890 3.104 1.00 0.36 C ATOM 375 C6 C A 12 -7.295 6.827 2.449 1.00 0.37 C ATOM 0 H5' C A 12 -9.648 8.714 -0.899 1.00 0.54 H new ATOM 0 H5'' C A 12 -10.906 9.369 0.130 1.00 0.54 H new ATOM 0 H4' C A 12 -11.152 6.965 -0.202 1.00 0.53 H new ATOM 0 H3' C A 12 -10.789 8.200 2.481 1.00 0.60 H new ATOM 0 H2' C A 12 -10.196 6.265 3.619 1.00 0.56 H new ATOM 0 HO2' C A 12 -12.370 5.408 2.370 1.00 0.64 H new ATOM 0 HO3' C A 12 -12.844 7.261 2.760 1.00 0.74 H new ATOM 0 H1' C A 12 -9.455 4.559 1.459 1.00 0.43 H new ATOM 0 H41 C A 12 -3.965 6.592 4.473 1.00 0.39 H new ATOM 0 H42 C A 12 -4.246 4.936 5.021 1.00 0.39 H new ATOM 0 H5 C A 12 -5.511 7.780 3.071 1.00 0.36 H new ATOM 0 H6 C A 12 -7.637 7.680 1.882 1.00 0.37 H new TER 388 C A 12