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 -11:sc= 0.398 USER MOD Single : A 1 G O5' : rot -64:sc= -2! USER MOD Single : A 2 G O2' : rot -149:sc= -0.672 USER MOD Single : A 3 U O2' : rot -21:sc= 0.23 USER MOD Single : A 4 G O2' : rot -25:sc= 0.181 USER MOD Single : A 5 U O2' : rot 106:sc= -1.63! USER MOD Single : A 6 G O2' : rot -102:sc= -7.9! USER MOD Single : A 7 A O2' : rot -131:sc= -4.1! USER MOD Single : A 8 A O2' : rot 94:sc= 0.774 USER MOD Single : A 9 C O2' : rot -158:sc= -1.67 USER MOD Single : A 10 A O2' : rot -96:sc= 0.31 USER MOD Single : A 11 C O2' : rot -22:sc= 0.254 USER MOD Single : A 12 C O2' : rot -8:sc= 0.423 USER MOD Single : A 12 C O3' : rot 180:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.022 -2.701 6.615 1.00 0.70 O ATOM 2 C5' G A 1 -3.239 -4.095 6.843 1.00 0.73 C ATOM 3 C4' G A 1 -4.556 -4.366 7.568 1.00 0.68 C ATOM 4 O4' G A 1 -4.881 -3.300 8.486 1.00 0.74 O ATOM 5 C3' G A 1 -5.698 -4.478 6.573 1.00 0.54 C ATOM 6 O3' G A 1 -6.380 -5.722 6.747 1.00 0.55 O ATOM 7 C2' G A 1 -6.600 -3.300 6.821 1.00 0.53 C ATOM 8 O2' G A 1 -7.899 -3.735 7.237 1.00 0.58 O ATOM 9 C1' G A 1 -5.925 -2.491 7.916 1.00 0.65 C ATOM 10 N9 G A 1 -5.357 -1.225 7.411 1.00 0.63 N ATOM 11 C8 G A 1 -4.172 -0.648 7.691 1.00 0.71 C ATOM 12 N7 G A 1 -3.898 0.516 7.238 1.00 0.69 N ATOM 13 C5 G A 1 -5.074 0.793 6.530 1.00 0.58 C ATOM 14 C6 G A 1 -5.426 1.939 5.775 1.00 0.51 C ATOM 15 O6 G A 1 -4.765 2.955 5.581 1.00 0.54 O ATOM 16 N1 G A 1 -6.689 1.816 5.219 1.00 0.45 N ATOM 17 C2 G A 1 -7.520 0.725 5.368 1.00 0.45 C ATOM 18 N2 G A 1 -8.689 0.791 4.741 1.00 0.45 N ATOM 19 N3 G A 1 -7.205 -0.362 6.078 1.00 0.49 N ATOM 20 C4 G A 1 -5.975 -0.269 6.630 1.00 0.55 C ATOM 0 H5' G A 1 -2.414 -4.497 7.431 1.00 0.73 H new ATOM 0 H5'' G A 1 -3.237 -4.622 5.889 1.00 0.73 H new ATOM 0 H4' G A 1 -4.429 -5.300 8.116 1.00 0.68 H new ATOM 0 H3' G A 1 -5.343 -4.463 5.543 1.00 0.54 H new ATOM 0 H2' G A 1 -6.746 -2.708 5.917 1.00 0.53 H new ATOM 0 HO2' G A 1 -7.977 -4.703 7.107 1.00 0.58 H new ATOM 0 HO5' G A 1 -3.713 -2.357 6.012 1.00 0.70 H new ATOM 0 H1' G A 1 -6.672 -2.225 8.663 1.00 0.65 H new ATOM 0 H8 G A 1 -3.450 -1.171 8.301 1.00 0.71 H new ATOM 0 H1 G A 1 -7.032 2.594 4.655 1.00 0.45 H new ATOM 0 H21 G A 1 -9.350 0.017 4.811 1.00 0.45 H new ATOM 0 H22 G A 1 -8.926 1.616 4.190 1.00 0.45 H new ATOM 33 P G A 2 -5.695 -7.070 6.198 1.00 0.58 P ATOM 34 OP1 G A 2 -6.679 -8.169 6.312 1.00 0.60 O ATOM 35 OP2 G A 2 -4.359 -7.205 6.822 1.00 0.74 O ATOM 36 O5' G A 2 -5.493 -6.727 4.638 1.00 0.51 O ATOM 37 C5' G A 2 -6.583 -6.899 3.736 1.00 0.46 C ATOM 38 C4' G A 2 -6.724 -5.748 2.742 1.00 0.39 C ATOM 39 O4' G A 2 -6.798 -4.448 3.371 1.00 0.36 O ATOM 40 C3' G A 2 -5.564 -5.666 1.777 1.00 0.38 C ATOM 41 O3' G A 2 -5.688 -6.640 0.729 1.00 0.42 O ATOM 42 C2' G A 2 -5.678 -4.255 1.267 1.00 0.33 C ATOM 43 O2' G A 2 -6.550 -4.178 0.134 1.00 0.32 O ATOM 44 C1' G A 2 -6.245 -3.479 2.441 1.00 0.32 C ATOM 45 N9 G A 2 -5.234 -2.579 3.026 1.00 0.34 N ATOM 46 C8 G A 2 -4.312 -2.764 3.984 1.00 0.43 C ATOM 47 N7 G A 2 -3.535 -1.796 4.322 1.00 0.46 N ATOM 48 C5 G A 2 -3.996 -0.791 3.457 1.00 0.37 C ATOM 49 C6 G A 2 -3.566 0.557 3.297 1.00 0.37 C ATOM 50 O6 G A 2 -2.680 1.156 3.901 1.00 0.44 O ATOM 51 N1 G A 2 -4.300 1.208 2.314 1.00 0.29 N ATOM 52 C2 G A 2 -5.318 0.646 1.577 1.00 0.24 C ATOM 53 N2 G A 2 -5.902 1.427 0.679 1.00 0.25 N ATOM 54 N3 G A 2 -5.728 -0.610 1.718 1.00 0.25 N ATOM 55 C4 G A 2 -5.033 -1.271 2.665 1.00 0.30 C ATOM 0 H5' G A 2 -7.507 -6.994 4.306 1.00 0.46 H new ATOM 0 H5'' G A 2 -6.449 -7.831 3.187 1.00 0.46 H new ATOM 0 H4' G A 2 -7.656 -5.978 2.226 1.00 0.39 H new ATOM 0 H3' G A 2 -4.594 -5.880 2.226 1.00 0.38 H new ATOM 0 H2' G A 2 -4.720 -3.861 0.927 1.00 0.33 H new ATOM 0 HO2' G A 2 -6.257 -3.452 -0.455 1.00 0.32 H new ATOM 0 H1' G A 2 -7.046 -2.808 2.130 1.00 0.32 H new ATOM 0 H8 G A 2 -4.223 -3.724 4.470 1.00 0.43 H new ATOM 0 H1 G A 2 -4.066 2.182 2.122 1.00 0.29 H new ATOM 0 H21 G A 2 -6.662 1.063 0.104 1.00 0.25 H new ATOM 0 H22 G A 2 -5.591 2.391 0.563 1.00 0.25 H new ATOM 67 P U A 3 -4.648 -6.673 -0.499 1.00 0.44 P ATOM 68 OP1 U A 3 -4.813 -7.960 -1.213 1.00 0.55 O ATOM 69 OP2 U A 3 -3.316 -6.270 0.007 1.00 0.49 O ATOM 70 O5' U A 3 -5.204 -5.490 -1.442 1.00 0.34 O ATOM 71 C5' U A 3 -6.346 -5.697 -2.280 1.00 0.35 C ATOM 72 C4' U A 3 -6.430 -4.644 -3.379 1.00 0.29 C ATOM 73 O4' U A 3 -6.720 -3.324 -2.843 1.00 0.28 O ATOM 74 C3' U A 3 -5.109 -4.528 -4.108 1.00 0.23 C ATOM 75 O3' U A 3 -5.011 -5.410 -5.233 1.00 0.25 O ATOM 76 C2' U A 3 -5.054 -3.091 -4.514 1.00 0.24 C ATOM 77 O2' U A 3 -5.663 -2.895 -5.793 1.00 0.29 O ATOM 78 C1' U A 3 -5.809 -2.357 -3.435 1.00 0.25 C ATOM 79 N1 U A 3 -4.877 -1.817 -2.420 1.00 0.23 N ATOM 80 C2 U A 3 -4.474 -0.493 -2.513 1.00 0.25 C ATOM 81 O2 U A 3 -4.828 0.243 -3.431 1.00 0.29 O ATOM 82 N3 U A 3 -3.636 -0.047 -1.502 1.00 0.25 N ATOM 83 C4 U A 3 -3.191 -0.794 -0.432 1.00 0.25 C ATOM 84 O4 U A 3 -2.482 -0.295 0.425 1.00 0.28 O ATOM 85 C5 U A 3 -3.654 -2.151 -0.428 1.00 0.24 C ATOM 86 C6 U A 3 -4.461 -2.608 -1.407 1.00 0.23 C ATOM 0 H5' U A 3 -7.253 -5.667 -1.676 1.00 0.35 H new ATOM 0 H5'' U A 3 -6.295 -6.689 -2.728 1.00 0.35 H new ATOM 0 H4' U A 3 -7.230 -4.966 -4.046 1.00 0.29 H new ATOM 0 H3' U A 3 -4.269 -4.823 -3.479 1.00 0.23 H new ATOM 0 H2' U A 3 -4.030 -2.732 -4.613 1.00 0.24 H new ATOM 0 HO2' U A 3 -5.691 -3.747 -6.276 1.00 0.29 H new ATOM 0 H1' U A 3 -6.354 -1.506 -3.843 1.00 0.25 H new ATOM 0 H3 U A 3 -3.320 0.921 -1.555 1.00 0.25 H new ATOM 0 H5 U A 3 -3.353 -2.815 0.369 1.00 0.24 H new ATOM 0 H6 U A 3 -4.785 -3.638 -1.380 1.00 0.23 H new ATOM 97 P G A 4 -3.810 -6.493 -5.312 1.00 0.24 P ATOM 98 OP1 G A 4 -4.059 -7.365 -6.482 1.00 0.30 O ATOM 99 OP2 G A 4 -3.646 -7.094 -3.970 1.00 0.28 O ATOM 100 O5' G A 4 -2.505 -5.584 -5.626 1.00 0.22 O ATOM 101 C5' G A 4 -2.355 -4.960 -6.908 1.00 0.23 C ATOM 102 C4' G A 4 -2.236 -3.437 -6.804 1.00 0.22 C ATOM 103 O4' G A 4 -2.919 -2.941 -5.638 1.00 0.23 O ATOM 104 C3' G A 4 -0.810 -2.955 -6.658 1.00 0.21 C ATOM 105 O3' G A 4 -0.133 -2.849 -7.916 1.00 0.25 O ATOM 106 C2' G A 4 -0.968 -1.618 -5.990 1.00 0.25 C ATOM 107 O2' G A 4 -1.154 -0.577 -6.957 1.00 0.31 O ATOM 108 C1' G A 4 -2.207 -1.793 -5.121 1.00 0.23 C ATOM 109 N9 G A 4 -1.789 -1.970 -3.731 1.00 0.22 N ATOM 110 C8 G A 4 -1.985 -2.971 -2.864 1.00 0.22 C ATOM 111 N7 G A 4 -1.449 -2.909 -1.694 1.00 0.23 N ATOM 112 C5 G A 4 -0.795 -1.665 -1.784 1.00 0.24 C ATOM 113 C6 G A 4 -0.004 -0.962 -0.833 1.00 0.26 C ATOM 114 O6 G A 4 0.289 -1.294 0.312 1.00 0.29 O ATOM 115 N1 G A 4 0.443 0.253 -1.349 1.00 0.27 N ATOM 116 C2 G A 4 0.168 0.725 -2.609 1.00 0.27 C ATOM 117 N2 G A 4 0.658 1.913 -2.910 1.00 0.29 N ATOM 118 N3 G A 4 -0.563 0.078 -3.500 1.00 0.25 N ATOM 119 C4 G A 4 -1.011 -1.098 -3.031 1.00 0.23 C ATOM 0 H5' G A 4 -3.210 -5.213 -7.535 1.00 0.23 H new ATOM 0 H5'' G A 4 -1.469 -5.358 -7.402 1.00 0.23 H new ATOM 0 H4' G A 4 -2.669 -3.069 -7.734 1.00 0.22 H new ATOM 0 H3' G A 4 -0.191 -3.648 -6.088 1.00 0.21 H new ATOM 0 H2' G A 4 -0.089 -1.327 -5.414 1.00 0.25 H new ATOM 0 HO2' G A 4 -0.760 -0.850 -7.812 1.00 0.31 H new ATOM 0 H1' G A 4 -2.866 -0.925 -5.146 1.00 0.23 H new ATOM 0 H8 G A 4 -2.587 -3.823 -3.143 1.00 0.22 H new ATOM 0 H1 G A 4 1.019 0.837 -0.743 1.00 0.27 H new ATOM 0 H21 G A 4 0.487 2.317 -3.831 1.00 0.29 H new ATOM 0 H22 G A 4 1.207 2.427 -2.222 1.00 0.29 H new ATOM 131 P U A 5 1.043 -3.888 -8.291 1.00 0.25 P ATOM 132 OP1 U A 5 1.774 -3.357 -9.464 1.00 0.34 O ATOM 133 OP2 U A 5 0.457 -5.246 -8.341 1.00 0.32 O ATOM 134 O5' U A 5 2.019 -3.811 -7.003 1.00 0.22 O ATOM 135 C5' U A 5 3.052 -2.819 -6.925 1.00 0.25 C ATOM 136 C4' U A 5 3.516 -2.574 -5.487 1.00 0.22 C ATOM 137 O4' U A 5 2.393 -2.321 -4.613 1.00 0.21 O ATOM 138 C3' U A 5 4.267 -3.769 -4.912 1.00 0.22 C ATOM 139 O3' U A 5 5.691 -3.653 -5.106 1.00 0.28 O ATOM 140 C2' U A 5 3.913 -3.753 -3.454 1.00 0.20 C ATOM 141 O2' U A 5 4.908 -3.068 -2.695 1.00 0.24 O ATOM 142 C1' U A 5 2.582 -3.036 -3.368 1.00 0.19 C ATOM 143 N1 U A 5 1.507 -4.021 -3.143 1.00 0.20 N ATOM 144 C2 U A 5 1.093 -4.232 -1.840 1.00 0.23 C ATOM 145 O2 U A 5 1.570 -3.614 -0.891 1.00 0.27 O ATOM 146 N3 U A 5 0.117 -5.191 -1.664 1.00 0.27 N ATOM 147 C4 U A 5 -0.472 -5.948 -2.658 1.00 0.28 C ATOM 148 O4 U A 5 -1.333 -6.778 -2.383 1.00 0.34 O ATOM 149 C5 U A 5 0.022 -5.663 -3.986 1.00 0.26 C ATOM 150 C6 U A 5 0.975 -4.727 -4.185 1.00 0.22 C ATOM 0 H5' U A 5 2.688 -1.884 -7.351 1.00 0.25 H new ATOM 0 H5'' U A 5 3.902 -3.135 -7.530 1.00 0.25 H new ATOM 0 H4' U A 5 4.177 -1.709 -5.535 1.00 0.22 H new ATOM 0 H3' U A 5 3.991 -4.702 -5.402 1.00 0.22 H new ATOM 0 H2' U A 5 3.855 -4.761 -3.044 1.00 0.20 H new ATOM 0 HO2' U A 5 4.568 -2.188 -2.429 1.00 0.24 H new ATOM 0 H1' U A 5 2.560 -2.331 -2.537 1.00 0.19 H new ATOM 0 H3 U A 5 -0.200 -5.357 -0.709 1.00 0.27 H new ATOM 0 H5 U A 5 -0.376 -6.206 -4.830 1.00 0.26 H new ATOM 0 H6 U A 5 1.324 -4.532 -5.188 1.00 0.22 H new ATOM 161 P G A 6 6.497 -4.630 -6.114 1.00 0.37 P ATOM 162 OP1 G A 6 7.460 -3.805 -6.876 1.00 0.47 O ATOM 163 OP2 G A 6 5.510 -5.457 -6.844 1.00 0.42 O ATOM 164 O5' G A 6 7.341 -5.601 -5.126 1.00 0.39 O ATOM 165 C5' G A 6 8.306 -5.066 -4.208 1.00 0.37 C ATOM 166 C4' G A 6 7.766 -5.005 -2.774 1.00 0.31 C ATOM 167 O4' G A 6 6.341 -4.833 -2.782 1.00 0.28 O ATOM 168 C3' G A 6 8.044 -6.272 -1.973 1.00 0.38 C ATOM 169 O3' G A 6 9.304 -6.156 -1.263 1.00 0.41 O ATOM 170 C2' G A 6 6.841 -6.407 -1.059 1.00 0.39 C ATOM 171 O2' G A 6 7.095 -5.883 0.242 1.00 0.42 O ATOM 172 C1' G A 6 5.746 -5.620 -1.727 1.00 0.32 C ATOM 173 N9 G A 6 4.712 -6.544 -2.228 1.00 0.38 N ATOM 174 C8 G A 6 3.579 -6.928 -1.639 1.00 0.46 C ATOM 175 N7 G A 6 2.795 -7.762 -2.215 1.00 0.53 N ATOM 176 C5 G A 6 3.509 -7.997 -3.397 1.00 0.51 C ATOM 177 C6 G A 6 3.199 -8.841 -4.496 1.00 0.61 C ATOM 178 O6 G A 6 2.218 -9.560 -4.655 1.00 0.71 O ATOM 179 N1 G A 6 4.183 -8.787 -5.471 1.00 0.63 N ATOM 180 C2 G A 6 5.326 -8.021 -5.404 1.00 0.57 C ATOM 181 N2 G A 6 6.157 -8.112 -6.436 1.00 0.66 N ATOM 182 N3 G A 6 5.629 -7.224 -4.378 1.00 0.46 N ATOM 183 C4 G A 6 4.691 -7.253 -3.413 1.00 0.43 C ATOM 0 H5' G A 6 8.595 -4.065 -4.529 1.00 0.37 H new ATOM 0 H5'' G A 6 9.206 -5.680 -4.230 1.00 0.37 H new ATOM 0 H4' G A 6 8.279 -4.164 -2.309 1.00 0.31 H new ATOM 0 H3' G A 6 8.160 -7.164 -2.588 1.00 0.38 H new ATOM 0 H2' G A 6 6.580 -7.456 -0.916 1.00 0.39 H new ATOM 0 HO2' G A 6 7.267 -6.621 0.864 1.00 0.42 H new ATOM 0 H1' G A 6 5.256 -4.944 -1.027 1.00 0.32 H new ATOM 0 H8 G A 6 3.320 -6.533 -0.668 1.00 0.46 H new ATOM 0 H1 G A 6 4.050 -9.360 -6.304 1.00 0.63 H new ATOM 0 H21 G A 6 7.020 -7.569 -6.445 1.00 0.66 H new ATOM 0 H22 G A 6 5.932 -8.725 -7.220 1.00 0.66 H new ATOM 195 P A A 7 9.691 -7.049 0.037 1.00 0.47 P ATOM 196 OP1 A A 7 10.985 -7.714 -0.239 1.00 0.56 O ATOM 197 OP2 A A 7 8.518 -7.869 0.421 1.00 0.52 O ATOM 198 O5' A A 7 9.937 -5.944 1.197 1.00 0.45 O ATOM 199 C5' A A 7 8.854 -5.291 1.878 1.00 0.42 C ATOM 200 C4' A A 7 9.327 -4.027 2.601 1.00 0.41 C ATOM 201 O4' A A 7 9.965 -3.115 1.677 1.00 0.38 O ATOM 202 C3' A A 7 8.164 -3.261 3.206 1.00 0.41 C ATOM 203 O3' A A 7 8.515 -2.577 4.434 1.00 0.46 O ATOM 204 C2' A A 7 7.768 -2.312 2.122 1.00 0.35 C ATOM 205 O2' A A 7 7.238 -1.122 2.683 1.00 0.37 O ATOM 206 C1' A A 7 9.058 -2.024 1.380 1.00 0.33 C ATOM 207 N9 A A 7 8.852 -1.923 -0.078 1.00 0.30 N ATOM 208 C8 A A 7 7.812 -2.288 -0.849 1.00 0.28 C ATOM 209 N7 A A 7 7.872 -2.131 -2.122 1.00 0.29 N ATOM 210 C5 A A 7 9.152 -1.573 -2.243 1.00 0.31 C ATOM 211 C6 A A 7 9.902 -1.143 -3.343 1.00 0.38 C ATOM 212 N6 A A 7 9.460 -1.210 -4.599 1.00 0.42 N ATOM 213 N1 A A 7 11.128 -0.646 -3.101 1.00 0.44 N ATOM 214 C2 A A 7 11.595 -0.574 -1.852 1.00 0.43 C ATOM 215 N3 A A 7 10.975 -0.949 -0.740 1.00 0.38 N ATOM 216 C4 A A 7 9.752 -1.444 -1.003 1.00 0.32 C ATOM 0 H5' A A 7 8.408 -5.978 2.598 1.00 0.42 H new ATOM 0 H5'' A A 7 8.075 -5.031 1.161 1.00 0.42 H new ATOM 0 H4' A A 7 10.016 -4.363 3.376 1.00 0.41 H new ATOM 0 H3' A A 7 7.351 -3.921 3.508 1.00 0.41 H new ATOM 0 H2' A A 7 6.998 -2.720 1.467 1.00 0.35 H new ATOM 0 HO2' A A 7 6.387 -0.906 2.248 1.00 0.37 H new ATOM 0 H1' A A 7 9.459 -1.063 1.703 1.00 0.33 H new ATOM 0 H8 A A 7 6.927 -2.713 -0.398 1.00 0.28 H new ATOM 0 H61 A A 7 10.048 -0.882 -5.365 1.00 0.42 H new ATOM 0 H62 A A 7 8.533 -1.589 -4.794 1.00 0.42 H new ATOM 0 H2 A A 7 12.588 -0.165 -1.734 1.00 0.43 H new ATOM 228 P A A 8 9.748 -1.536 4.557 1.00 0.47 P ATOM 229 OP1 A A 8 10.944 -2.143 3.933 1.00 0.56 O ATOM 230 OP2 A A 8 9.815 -1.079 5.964 1.00 0.48 O ATOM 231 O5' A A 8 9.277 -0.280 3.650 1.00 0.42 O ATOM 232 C5' A A 8 10.262 0.594 3.081 1.00 0.42 C ATOM 233 C4' A A 8 9.654 1.755 2.285 1.00 0.37 C ATOM 234 O4' A A 8 8.596 1.327 1.377 1.00 0.32 O ATOM 235 C3' A A 8 9.042 2.810 3.184 1.00 0.38 C ATOM 236 O3' A A 8 9.346 4.145 2.728 1.00 0.38 O ATOM 237 C2' A A 8 7.567 2.518 3.161 1.00 0.36 C ATOM 238 O2' A A 8 6.786 3.704 3.367 1.00 0.37 O ATOM 239 C1' A A 8 7.328 1.923 1.783 1.00 0.30 C ATOM 240 N9 A A 8 6.231 0.935 1.799 1.00 0.30 N ATOM 241 C8 A A 8 5.465 0.518 2.819 1.00 0.33 C ATOM 242 N7 A A 8 4.554 -0.363 2.623 1.00 0.33 N ATOM 243 C5 A A 8 4.718 -0.585 1.247 1.00 0.29 C ATOM 244 C6 A A 8 4.061 -1.422 0.337 1.00 0.29 C ATOM 245 N6 A A 8 3.067 -2.239 0.681 1.00 0.33 N ATOM 246 N1 A A 8 4.471 -1.386 -0.939 1.00 0.27 N ATOM 247 C2 A A 8 5.471 -0.581 -1.311 1.00 0.26 C ATOM 248 N3 A A 8 6.164 0.252 -0.539 1.00 0.26 N ATOM 249 C4 A A 8 5.737 0.204 0.738 1.00 0.27 C ATOM 0 H5' A A 8 10.916 0.017 2.427 1.00 0.42 H new ATOM 0 H5'' A A 8 10.885 0.997 3.879 1.00 0.42 H new ATOM 0 H4' A A 8 10.495 2.162 1.723 1.00 0.37 H new ATOM 0 H3' A A 8 9.443 2.772 4.197 1.00 0.38 H new ATOM 0 H2' A A 8 7.267 1.843 3.963 1.00 0.36 H new ATOM 0 HO2' A A 8 6.540 4.088 2.500 1.00 0.37 H new ATOM 0 H1' A A 8 7.013 2.687 1.072 1.00 0.30 H new ATOM 0 H8 A A 8 5.616 0.926 3.808 1.00 0.33 H new ATOM 0 H61 A A 8 2.624 -2.828 -0.024 1.00 0.33 H new ATOM 0 H62 A A 8 2.749 -2.276 1.650 1.00 0.33 H new ATOM 0 H2 A A 8 5.747 -0.610 -2.355 1.00 0.26 H new ATOM 261 P C A 9 8.866 4.700 1.288 1.00 0.35 P ATOM 262 OP1 C A 9 8.858 3.591 0.311 1.00 0.39 O ATOM 263 OP2 C A 9 9.652 5.918 0.992 1.00 0.36 O ATOM 264 O5' C A 9 7.337 5.146 1.567 1.00 0.35 O ATOM 265 C5' C A 9 6.964 6.511 1.358 1.00 0.40 C ATOM 266 C4' C A 9 5.699 6.640 0.509 1.00 0.34 C ATOM 267 O4' C A 9 5.550 5.505 -0.388 1.00 0.34 O ATOM 268 C3' C A 9 4.420 6.657 1.329 1.00 0.30 C ATOM 269 O3' C A 9 4.092 7.966 1.834 1.00 0.36 O ATOM 270 C2' C A 9 3.404 6.209 0.330 1.00 0.30 C ATOM 271 O2' C A 9 2.973 7.302 -0.483 1.00 0.36 O ATOM 272 C1' C A 9 4.133 5.193 -0.507 1.00 0.32 C ATOM 273 N1 C A 9 3.770 3.860 0.009 1.00 0.32 N ATOM 274 C2 C A 9 2.944 3.074 -0.780 1.00 0.33 C ATOM 275 O2 C A 9 2.700 3.406 -1.938 1.00 0.36 O ATOM 276 N3 C A 9 2.421 1.938 -0.242 1.00 0.35 N ATOM 277 C4 C A 9 2.701 1.587 1.018 1.00 0.35 C ATOM 278 N4 C A 9 2.161 0.482 1.527 1.00 0.39 N ATOM 279 C5 C A 9 3.561 2.385 1.830 1.00 0.36 C ATOM 280 C6 C A 9 4.075 3.500 1.290 1.00 0.33 C ATOM 0 H5' C A 9 7.783 7.039 0.869 1.00 0.40 H new ATOM 0 H5'' C A 9 6.803 6.994 2.322 1.00 0.40 H new ATOM 0 H4' C A 9 5.828 7.584 -0.020 1.00 0.34 H new ATOM 0 H3' C A 9 4.489 6.035 2.222 1.00 0.30 H new ATOM 0 H2' C A 9 2.509 5.805 0.803 1.00 0.30 H new ATOM 0 HO2' C A 9 2.095 7.098 -0.867 1.00 0.36 H new ATOM 0 H1' C A 9 3.873 5.208 -1.565 1.00 0.32 H new ATOM 0 H41 C A 9 2.370 0.208 2.487 1.00 0.39 H new ATOM 0 H42 C A 9 1.538 -0.091 0.957 1.00 0.39 H new ATOM 0 H5 C A 9 3.791 2.101 2.846 1.00 0.36 H new ATOM 0 H6 C A 9 4.738 4.120 1.875 1.00 0.33 H new ATOM 292 P A A 10 2.672 8.249 2.573 1.00 0.38 P ATOM 293 OP1 A A 10 2.692 9.636 3.088 1.00 0.46 O ATOM 294 OP2 A A 10 2.406 7.127 3.501 1.00 0.45 O ATOM 295 O5' A A 10 1.584 8.171 1.372 1.00 0.33 O ATOM 296 C5' A A 10 1.396 9.280 0.479 1.00 0.33 C ATOM 297 C4' A A 10 0.479 8.946 -0.706 1.00 0.31 C ATOM 298 O4' A A 10 0.866 7.714 -1.363 1.00 0.33 O ATOM 299 C3' A A 10 -0.968 8.769 -0.285 1.00 0.29 C ATOM 300 O3' A A 10 -1.689 10.006 -0.312 1.00 0.30 O ATOM 301 C2' A A 10 -1.507 7.771 -1.266 1.00 0.30 C ATOM 302 O2' A A 10 -1.993 8.421 -2.447 1.00 0.34 O ATOM 303 C1' A A 10 -0.312 6.897 -1.574 1.00 0.31 C ATOM 304 N9 A A 10 -0.298 5.743 -0.668 1.00 0.30 N ATOM 305 C8 A A 10 0.309 5.593 0.519 1.00 0.31 C ATOM 306 N7 A A 10 0.211 4.487 1.151 1.00 0.31 N ATOM 307 C5 A A 10 -0.594 3.766 0.260 1.00 0.30 C ATOM 308 C6 A A 10 -1.108 2.474 0.300 1.00 0.30 C ATOM 309 N6 A A 10 -0.850 1.639 1.305 1.00 0.32 N ATOM 310 N1 A A 10 -1.873 2.073 -0.740 1.00 0.29 N ATOM 311 C2 A A 10 -2.109 2.908 -1.762 1.00 0.29 C ATOM 312 N3 A A 10 -1.666 4.154 -1.901 1.00 0.29 N ATOM 313 C4 A A 10 -0.910 4.525 -0.850 1.00 0.29 C ATOM 0 H5' A A 10 2.366 9.604 0.101 1.00 0.33 H new ATOM 0 H5'' A A 10 0.974 10.118 1.033 1.00 0.33 H new ATOM 0 H4' A A 10 0.580 9.795 -1.381 1.00 0.31 H new ATOM 0 H3' A A 10 -1.066 8.428 0.745 1.00 0.29 H new ATOM 0 H2' A A 10 -2.353 7.206 -0.876 1.00 0.30 H new ATOM 0 HO2' A A 10 -2.961 8.556 -2.372 1.00 0.34 H new ATOM 0 H1' A A 10 -0.346 6.521 -2.597 1.00 0.31 H new ATOM 0 H8 A A 10 0.880 6.407 0.940 1.00 0.31 H new ATOM 0 H61 A A 10 -1.244 0.698 1.301 1.00 0.32 H new ATOM 0 H62 A A 10 -0.258 1.940 2.079 1.00 0.32 H new ATOM 0 H2 A A 10 -2.727 2.526 -2.561 1.00 0.29 H new ATOM 325 P C A 11 -2.301 10.616 1.051 1.00 0.30 P ATOM 326 OP1 C A 11 -2.386 12.085 0.906 1.00 0.38 O ATOM 327 OP2 C A 11 -1.566 10.028 2.196 1.00 0.38 O ATOM 328 O5' C A 11 -3.797 10.022 1.060 1.00 0.27 O ATOM 329 C5' C A 11 -4.649 10.213 -0.072 1.00 0.28 C ATOM 330 C4' C A 11 -5.135 8.886 -0.648 1.00 0.25 C ATOM 331 O4' C A 11 -4.067 7.918 -0.727 1.00 0.21 O ATOM 332 C3' C A 11 -6.201 8.250 0.214 1.00 0.26 C ATOM 333 O3' C A 11 -7.505 8.749 -0.113 1.00 0.35 O ATOM 334 C2' C A 11 -6.071 6.786 -0.101 1.00 0.23 C ATOM 335 O2' C A 11 -6.892 6.429 -1.218 1.00 0.31 O ATOM 336 C1' C A 11 -4.596 6.602 -0.421 1.00 0.18 C ATOM 337 N1 C A 11 -3.882 5.963 0.711 1.00 0.19 N ATOM 338 C2 C A 11 -4.111 4.611 0.916 1.00 0.21 C ATOM 339 O2 C A 11 -4.895 4.005 0.193 1.00 0.23 O ATOM 340 N3 C A 11 -3.452 3.986 1.929 1.00 0.27 N ATOM 341 C4 C A 11 -2.600 4.660 2.709 1.00 0.32 C ATOM 342 N4 C A 11 -1.963 4.013 3.683 1.00 0.41 N ATOM 343 C5 C A 11 -2.359 6.057 2.505 1.00 0.31 C ATOM 344 C6 C A 11 -3.019 6.666 1.500 1.00 0.24 C ATOM 0 H5' C A 11 -4.112 10.768 -0.841 1.00 0.28 H new ATOM 0 H5'' C A 11 -5.507 10.819 0.218 1.00 0.28 H new ATOM 0 H4' C A 11 -5.525 9.131 -1.636 1.00 0.25 H new ATOM 0 H3' C A 11 -6.077 8.466 1.275 1.00 0.26 H new ATOM 0 H2' C A 11 -6.398 6.150 0.722 1.00 0.23 H new ATOM 0 HO2' C A 11 -7.605 7.093 -1.325 1.00 0.31 H new ATOM 0 H1' C A 11 -4.458 5.936 -1.272 1.00 0.18 H new ATOM 0 H41 C A 11 -1.310 4.514 4.286 1.00 0.41 H new ATOM 0 H42 C A 11 -2.128 3.017 3.826 1.00 0.41 H new ATOM 0 H5 C A 11 -1.672 6.603 3.135 1.00 0.31 H new ATOM 0 H6 C A 11 -2.863 7.719 1.318 1.00 0.24 H new ATOM 356 P C A 12 -8.211 9.866 0.812 1.00 0.38 P ATOM 357 OP1 C A 12 -8.699 10.954 -0.066 1.00 0.44 O ATOM 358 OP2 C A 12 -7.306 10.176 1.942 1.00 0.41 O ATOM 359 O5' C A 12 -9.489 9.075 1.393 1.00 0.52 O ATOM 360 C5' C A 12 -10.461 8.507 0.506 1.00 0.62 C ATOM 361 C4' C A 12 -10.763 7.053 0.859 1.00 0.64 C ATOM 362 O4' C A 12 -9.565 6.253 0.834 1.00 0.52 O ATOM 363 C3' C A 12 -11.356 6.941 2.251 1.00 0.72 C ATOM 364 O3' C A 12 -12.783 6.840 2.199 1.00 0.90 O ATOM 365 C2' C A 12 -10.746 5.699 2.850 1.00 0.66 C ATOM 366 O2' C A 12 -11.694 4.623 2.864 1.00 0.76 O ATOM 367 C1' C A 12 -9.550 5.357 1.968 1.00 0.51 C ATOM 368 N1 C A 12 -8.284 5.478 2.722 1.00 0.43 N ATOM 369 C2 C A 12 -7.826 4.354 3.394 1.00 0.42 C ATOM 370 O2 C A 12 -8.488 3.317 3.392 1.00 0.44 O ATOM 371 N3 C A 12 -6.643 4.433 4.060 1.00 0.43 N ATOM 372 C4 C A 12 -5.938 5.572 4.067 1.00 0.44 C ATOM 373 N4 C A 12 -4.775 5.617 4.715 1.00 0.51 N ATOM 374 C5 C A 12 -6.406 6.734 3.381 1.00 0.42 C ATOM 375 C6 C A 12 -7.578 6.645 2.726 1.00 0.42 C ATOM 0 H5' C A 12 -10.096 8.565 -0.519 1.00 0.62 H new ATOM 0 H5'' C A 12 -11.380 9.091 0.551 1.00 0.62 H new ATOM 0 H4' C A 12 -11.473 6.693 0.115 1.00 0.64 H new ATOM 0 H3' C A 12 -11.139 7.825 2.851 1.00 0.72 H new ATOM 0 H2' C A 12 -10.445 5.861 3.885 1.00 0.66 H new ATOM 0 HO2' C A 12 -12.575 4.960 2.598 1.00 0.76 H new ATOM 0 HO3' C A 12 -13.139 6.767 3.109 1.00 0.90 H new ATOM 0 H1' C A 12 -9.619 4.323 1.629 1.00 0.51 H new ATOM 0 H41 C A 12 -4.231 6.479 4.726 1.00 0.51 H new ATOM 0 H42 C A 12 -4.429 4.789 5.200 1.00 0.51 H new ATOM 0 H5 C A 12 -5.838 7.653 3.388 1.00 0.42 H new ATOM 0 H6 C A 12 -7.963 7.505 2.199 1.00 0.42 H new TER 388 C A 12