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 1:sc= 0.452 USER MOD Single : A 1 G O5' : rot -66:sc= -2.06! USER MOD Single : A 2 G O2' : rot -148:sc= 0.879 USER MOD Single : A 3 U O2' : rot -15:sc= 0.219 USER MOD Single : A 4 G O2' : rot -12:sc= 0.357 USER MOD Single : A 5 U O2' : rot -8:sc= 1.07 USER MOD Single : A 6 G O2' : rot 88:sc= 0.392 USER MOD Single : A 7 A O2' : rot 136:sc= -3.56! USER MOD Single : A 8 A O2' : rot 77:sc= -3.19! USER MOD Single : A 9 C O2' : rot -168:sc= -3.25! USER MOD Single : A 10 A O2' : rot -98:sc= 0.184 USER MOD Single : A 11 C O2' : rot -46:sc= -0.196 USER MOD Single : A 12 C O2' : rot -7:sc= 0.389 USER MOD Single : A 12 C O3' : rot 180:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.229 -2.262 7.410 1.00 0.36 O ATOM 2 C5' G A 1 -4.552 -3.607 7.773 1.00 0.35 C ATOM 3 C4' G A 1 -5.999 -3.748 8.248 1.00 0.33 C ATOM 4 O4' G A 1 -6.425 -2.585 8.986 1.00 0.36 O ATOM 5 C3' G A 1 -6.934 -3.906 7.064 1.00 0.29 C ATOM 6 O3' G A 1 -7.764 -5.054 7.244 1.00 0.32 O ATOM 7 C2' G A 1 -7.739 -2.637 6.984 1.00 0.31 C ATOM 8 O2' G A 1 -9.138 -2.912 7.108 1.00 0.40 O ATOM 9 C1' G A 1 -7.255 -1.771 8.135 1.00 0.33 C ATOM 10 N9 G A 1 -6.494 -0.595 7.671 1.00 0.31 N ATOM 11 C8 G A 1 -5.360 -0.062 8.165 1.00 0.35 C ATOM 12 N7 G A 1 -4.907 1.038 7.695 1.00 0.36 N ATOM 13 C5 G A 1 -5.877 1.313 6.723 1.00 0.30 C ATOM 14 C6 G A 1 -5.972 2.402 5.824 1.00 0.29 C ATOM 15 O6 G A 1 -5.216 3.360 5.710 1.00 0.32 O ATOM 16 N1 G A 1 -7.088 2.296 5.010 1.00 0.25 N ATOM 17 C2 G A 1 -8.009 1.273 5.052 1.00 0.26 C ATOM 18 N2 G A 1 -9.004 1.347 4.174 1.00 0.28 N ATOM 19 N3 G A 1 -7.938 0.240 5.896 1.00 0.28 N ATOM 20 C4 G A 1 -6.854 0.317 6.701 1.00 0.28 C ATOM 0 H5' G A 1 -3.879 -3.940 8.563 1.00 0.35 H new ATOM 0 H5'' G A 1 -4.387 -4.262 6.917 1.00 0.35 H new ATOM 0 H4' G A 1 -6.037 -4.628 8.890 1.00 0.33 H new ATOM 0 H3' G A 1 -6.389 -4.062 6.133 1.00 0.29 H new ATOM 0 H2' G A 1 -7.606 -2.139 6.024 1.00 0.31 H new ATOM 0 HO2' G A 1 -9.272 -3.874 7.235 1.00 0.40 H new ATOM 0 HO5' G A 1 -4.754 -2.000 6.625 1.00 0.36 H new ATOM 0 H1' G A 1 -8.123 -1.392 8.675 1.00 0.33 H new ATOM 0 H8 G A 1 -4.831 -0.565 8.961 1.00 0.35 H new ATOM 0 H1 G A 1 -7.240 3.035 4.324 1.00 0.25 H new ATOM 0 H21 G A 1 -9.720 0.621 4.152 1.00 0.28 H new ATOM 0 H22 G A 1 -9.051 2.130 3.522 1.00 0.28 H new ATOM 33 P G A 2 -7.128 -6.514 7.021 1.00 0.32 P ATOM 34 OP1 G A 2 -8.224 -7.507 7.043 1.00 0.38 O ATOM 35 OP2 G A 2 -5.972 -6.666 7.934 1.00 0.41 O ATOM 36 O5' G A 2 -6.570 -6.401 5.514 1.00 0.27 O ATOM 37 C5' G A 2 -7.448 -6.653 4.419 1.00 0.29 C ATOM 38 C4' G A 2 -7.402 -5.566 3.345 1.00 0.22 C ATOM 39 O4' G A 2 -7.496 -4.220 3.870 1.00 0.22 O ATOM 40 C3' G A 2 -6.125 -5.592 2.537 1.00 0.18 C ATOM 41 O3' G A 2 -6.139 -6.644 1.560 1.00 0.21 O ATOM 42 C2' G A 2 -6.128 -4.227 1.905 1.00 0.17 C ATOM 43 O2' G A 2 -6.852 -4.228 0.669 1.00 0.21 O ATOM 44 C1' G A 2 -6.803 -3.340 2.939 1.00 0.18 C ATOM 45 N9 G A 2 -5.826 -2.425 3.563 1.00 0.18 N ATOM 46 C8 G A 2 -5.010 -2.569 4.619 1.00 0.21 C ATOM 47 N7 G A 2 -4.205 -1.617 4.943 1.00 0.24 N ATOM 48 C5 G A 2 -4.519 -0.674 3.951 1.00 0.21 C ATOM 49 C6 G A 2 -3.990 0.629 3.714 1.00 0.23 C ATOM 50 O6 G A 2 -3.116 1.227 4.339 1.00 0.27 O ATOM 51 N1 G A 2 -4.589 1.228 2.611 1.00 0.22 N ATOM 52 C2 G A 2 -5.572 0.655 1.832 1.00 0.21 C ATOM 53 N2 G A 2 -6.021 1.377 0.814 1.00 0.26 N ATOM 54 N3 G A 2 -6.073 -0.557 2.044 1.00 0.20 N ATOM 55 C4 G A 2 -5.511 -1.166 3.108 1.00 0.18 C ATOM 0 H5' G A 2 -8.468 -6.742 4.793 1.00 0.29 H new ATOM 0 H5'' G A 2 -7.189 -7.611 3.968 1.00 0.29 H new ATOM 0 H4' G A 2 -8.271 -5.799 2.730 1.00 0.22 H new ATOM 0 H3' G A 2 -5.231 -5.792 3.128 1.00 0.18 H new ATOM 0 H2' G A 2 -5.125 -3.883 1.654 1.00 0.17 H new ATOM 0 HO2' G A 2 -6.455 -3.574 0.057 1.00 0.21 H new ATOM 0 H1' G A 2 -7.541 -2.674 2.492 1.00 0.18 H new ATOM 0 H8 G A 2 -5.028 -3.482 5.196 1.00 0.21 H new ATOM 0 H1 G A 2 -4.276 2.165 2.358 1.00 0.22 H new ATOM 0 H21 G A 2 -6.748 1.002 0.205 1.00 0.26 H new ATOM 0 H22 G A 2 -5.639 2.307 0.641 1.00 0.26 H new ATOM 67 P U A 3 -4.895 -6.866 0.561 1.00 0.24 P ATOM 68 OP1 U A 3 -4.952 -8.255 0.049 1.00 0.34 O ATOM 69 OP2 U A 3 -3.670 -6.376 1.232 1.00 0.26 O ATOM 70 O5' U A 3 -5.246 -5.860 -0.646 1.00 0.25 O ATOM 71 C5' U A 3 -6.330 -6.143 -1.539 1.00 0.25 C ATOM 72 C4' U A 3 -6.379 -5.150 -2.695 1.00 0.23 C ATOM 73 O4' U A 3 -6.677 -3.803 -2.234 1.00 0.23 O ATOM 74 C3' U A 3 -5.038 -5.078 -3.397 1.00 0.22 C ATOM 75 O3' U A 3 -4.922 -6.001 -4.492 1.00 0.25 O ATOM 76 C2' U A 3 -4.956 -3.655 -3.851 1.00 0.22 C ATOM 77 O2' U A 3 -5.536 -3.498 -5.152 1.00 0.26 O ATOM 78 C1' U A 3 -5.724 -2.874 -2.818 1.00 0.21 C ATOM 79 N1 U A 3 -4.814 -2.326 -1.783 1.00 0.20 N ATOM 80 C2 U A 3 -4.312 -1.039 -1.934 1.00 0.21 C ATOM 81 O2 U A 3 -4.562 -0.347 -2.915 1.00 0.25 O ATOM 82 N3 U A 3 -3.500 -0.584 -0.904 1.00 0.21 N ATOM 83 C4 U A 3 -3.165 -1.286 0.234 1.00 0.20 C ATOM 84 O4 U A 3 -2.465 -0.782 1.096 1.00 0.22 O ATOM 85 C5 U A 3 -3.725 -2.606 0.296 1.00 0.19 C ATOM 86 C6 U A 3 -4.510 -3.072 -0.697 1.00 0.19 C ATOM 0 H5' U A 3 -7.272 -6.111 -0.991 1.00 0.25 H new ATOM 0 H5'' U A 3 -6.224 -7.154 -1.932 1.00 0.25 H new ATOM 0 H4' U A 3 -7.161 -5.504 -3.367 1.00 0.23 H new ATOM 0 H3' U A 3 -4.218 -5.364 -2.738 1.00 0.22 H new ATOM 0 H2' U A 3 -3.925 -3.312 -3.938 1.00 0.22 H new ATOM 0 HO2' U A 3 -5.650 -4.378 -5.568 1.00 0.26 H new ATOM 0 H1' U A 3 -6.231 -2.020 -3.266 1.00 0.21 H new ATOM 0 H3 U A 3 -3.116 0.356 -0.998 1.00 0.21 H new ATOM 0 H5 U A 3 -3.515 -3.234 1.149 1.00 0.19 H new ATOM 0 H6 U A 3 -4.908 -4.073 -0.622 1.00 0.19 H new ATOM 97 P G A 4 -3.729 -7.101 -4.510 1.00 0.27 P ATOM 98 OP1 G A 4 -4.028 -8.083 -5.576 1.00 0.30 O ATOM 99 OP2 G A 4 -3.512 -7.566 -3.122 1.00 0.35 O ATOM 100 O5' G A 4 -2.428 -6.249 -4.965 1.00 0.26 O ATOM 101 C5' G A 4 -2.417 -5.556 -6.219 1.00 0.25 C ATOM 102 C4' G A 4 -2.236 -4.049 -6.030 1.00 0.22 C ATOM 103 O4' G A 4 -2.752 -3.640 -4.757 1.00 0.21 O ATOM 104 C3' G A 4 -0.784 -3.617 -6.031 1.00 0.23 C ATOM 105 O3' G A 4 -0.311 -3.331 -7.352 1.00 0.26 O ATOM 106 C2' G A 4 -0.767 -2.382 -5.164 1.00 0.24 C ATOM 107 O2' G A 4 -0.821 -1.197 -5.967 1.00 0.29 O ATOM 108 C1' G A 4 -2.005 -2.508 -4.280 1.00 0.21 C ATOM 109 N9 G A 4 -1.613 -2.657 -2.874 1.00 0.19 N ATOM 110 C8 G A 4 -1.906 -3.605 -1.971 1.00 0.20 C ATOM 111 N7 G A 4 -1.422 -3.517 -0.780 1.00 0.21 N ATOM 112 C5 G A 4 -0.695 -2.317 -0.891 1.00 0.20 C ATOM 113 C6 G A 4 0.087 -1.613 0.069 1.00 0.21 C ATOM 114 O6 G A 4 0.318 -1.908 1.241 1.00 0.24 O ATOM 115 N1 G A 4 0.625 -0.451 -0.474 1.00 0.22 N ATOM 116 C2 G A 4 0.439 -0.020 -1.768 1.00 0.22 C ATOM 117 N2 G A 4 1.007 1.126 -2.092 1.00 0.25 N ATOM 118 N3 G A 4 -0.281 -0.669 -2.668 1.00 0.21 N ATOM 119 C4 G A 4 -0.818 -1.796 -2.174 1.00 0.19 C ATOM 0 H5' G A 4 -3.350 -5.747 -6.749 1.00 0.25 H new ATOM 0 H5'' G A 4 -1.611 -5.944 -6.842 1.00 0.25 H new ATOM 0 H4' G A 4 -2.763 -3.594 -6.869 1.00 0.22 H new ATOM 0 H3' G A 4 -0.124 -4.401 -5.660 1.00 0.23 H new ATOM 0 H2' G A 4 0.146 -2.304 -4.574 1.00 0.24 H new ATOM 0 HO2' G A 4 -0.666 -1.431 -6.906 1.00 0.29 H new ATOM 0 H1' G A 4 -2.625 -1.613 -4.333 1.00 0.21 H new ATOM 0 H8 G A 4 -2.542 -4.435 -2.240 1.00 0.20 H new ATOM 0 H1 G A 4 1.203 0.128 0.135 1.00 0.22 H new ATOM 0 H21 G A 4 0.905 1.497 -3.037 1.00 0.25 H new ATOM 0 H22 G A 4 1.549 1.641 -1.398 1.00 0.25 H new ATOM 131 P U A 5 1.096 -3.929 -7.861 1.00 0.28 P ATOM 132 OP1 U A 5 1.539 -3.136 -9.030 1.00 0.43 O ATOM 133 OP2 U A 5 0.964 -5.399 -7.978 1.00 0.46 O ATOM 134 O5' U A 5 2.085 -3.612 -6.634 1.00 0.29 O ATOM 135 C5' U A 5 2.631 -2.303 -6.450 1.00 0.34 C ATOM 136 C4' U A 5 3.227 -2.146 -5.058 1.00 0.30 C ATOM 137 O4' U A 5 2.212 -2.304 -4.044 1.00 0.30 O ATOM 138 C3' U A 5 4.296 -3.199 -4.804 1.00 0.26 C ATOM 139 O3' U A 5 5.610 -2.667 -5.030 1.00 0.31 O ATOM 140 C2' U A 5 4.103 -3.604 -3.370 1.00 0.26 C ATOM 141 O2' U A 5 5.038 -2.937 -2.523 1.00 0.33 O ATOM 142 C1' U A 5 2.679 -3.211 -3.024 1.00 0.28 C ATOM 143 N1 U A 5 1.826 -4.413 -2.949 1.00 0.27 N ATOM 144 C2 U A 5 1.351 -4.784 -1.707 1.00 0.33 C ATOM 145 O2 U A 5 1.603 -4.145 -0.691 1.00 0.40 O ATOM 146 N3 U A 5 0.578 -5.925 -1.669 1.00 0.38 N ATOM 147 C4 U A 5 0.241 -6.718 -2.749 1.00 0.38 C ATOM 148 O4 U A 5 -0.450 -7.720 -2.595 1.00 0.46 O ATOM 149 C5 U A 5 0.777 -6.258 -4.008 1.00 0.34 C ATOM 150 C6 U A 5 1.538 -5.140 -4.070 1.00 0.30 C ATOM 0 H5' U A 5 1.851 -1.556 -6.601 1.00 0.34 H new ATOM 0 H5'' U A 5 3.399 -2.118 -7.201 1.00 0.34 H new ATOM 0 H4' U A 5 3.660 -1.147 -5.008 1.00 0.30 H new ATOM 0 H3' U A 5 4.205 -4.049 -5.480 1.00 0.26 H new ATOM 0 H2' U A 5 4.269 -4.672 -3.228 1.00 0.26 H new ATOM 0 HO2' U A 5 5.689 -2.452 -3.072 1.00 0.33 H new ATOM 0 H1' U A 5 2.638 -2.722 -2.051 1.00 0.28 H new ATOM 0 H3 U A 5 0.221 -6.211 -0.757 1.00 0.38 H new ATOM 0 H5 U A 5 0.568 -6.812 -4.911 1.00 0.34 H new ATOM 0 H6 U A 5 1.925 -4.816 -5.025 1.00 0.30 H new ATOM 161 P G A 6 6.380 -2.855 -6.440 1.00 0.35 P ATOM 162 OP1 G A 6 7.056 -1.578 -6.765 1.00 0.37 O ATOM 163 OP2 G A 6 5.443 -3.441 -7.418 1.00 0.41 O ATOM 164 O5' G A 6 7.522 -3.950 -6.088 1.00 0.35 O ATOM 165 C5' G A 6 8.432 -3.676 -5.019 1.00 0.33 C ATOM 166 C4' G A 6 8.067 -4.435 -3.744 1.00 0.28 C ATOM 167 O4' G A 6 6.641 -4.656 -3.685 1.00 0.27 O ATOM 168 C3' G A 6 8.732 -5.804 -3.654 1.00 0.32 C ATOM 169 O3' G A 6 9.749 -5.791 -2.626 1.00 0.33 O ATOM 170 C2' G A 6 7.629 -6.779 -3.304 1.00 0.33 C ATOM 171 O2' G A 6 7.948 -7.535 -2.131 1.00 0.37 O ATOM 172 C1' G A 6 6.396 -5.947 -3.103 1.00 0.28 C ATOM 173 N9 G A 6 5.240 -6.661 -3.680 1.00 0.32 N ATOM 174 C8 G A 6 4.472 -7.558 -3.072 1.00 0.38 C ATOM 175 N7 G A 6 3.530 -8.150 -3.702 1.00 0.45 N ATOM 176 C5 G A 6 3.673 -7.571 -4.965 1.00 0.44 C ATOM 177 C6 G A 6 2.929 -7.802 -6.149 1.00 0.54 C ATOM 178 O6 G A 6 1.978 -8.559 -6.317 1.00 0.62 O ATOM 179 N1 G A 6 3.393 -7.034 -7.199 1.00 0.58 N ATOM 180 C2 G A 6 4.442 -6.145 -7.131 1.00 0.55 C ATOM 181 N2 G A 6 4.736 -5.517 -8.261 1.00 0.68 N ATOM 182 N3 G A 6 5.157 -5.908 -6.019 1.00 0.43 N ATOM 183 C4 G A 6 4.726 -6.649 -4.973 1.00 0.37 C ATOM 0 H5' G A 6 8.438 -2.605 -4.814 1.00 0.33 H new ATOM 0 H5'' G A 6 9.442 -3.947 -5.325 1.00 0.33 H new ATOM 0 H4' G A 6 8.417 -3.813 -2.920 1.00 0.28 H new ATOM 0 H3' G A 6 9.220 -6.082 -4.588 1.00 0.32 H new ATOM 0 H2' G A 6 7.486 -7.514 -4.096 1.00 0.33 H new ATOM 0 HO2' G A 6 7.644 -7.049 -1.336 1.00 0.37 H new ATOM 0 H1' G A 6 6.160 -5.789 -2.051 1.00 0.28 H new ATOM 0 H8 G A 6 4.646 -7.790 -2.032 1.00 0.38 H new ATOM 0 H1 G A 6 2.920 -7.134 -8.097 1.00 0.58 H new ATOM 0 H21 G A 6 5.502 -4.844 -8.286 1.00 0.68 H new ATOM 0 H22 G A 6 4.197 -5.707 -9.105 1.00 0.68 H new ATOM 195 P A A 7 9.429 -5.258 -1.120 1.00 0.29 P ATOM 196 OP1 A A 7 10.409 -5.878 -0.200 1.00 0.33 O ATOM 197 OP2 A A 7 7.981 -5.407 -0.854 1.00 0.36 O ATOM 198 O5' A A 7 9.747 -3.677 -1.204 1.00 0.27 O ATOM 199 C5' A A 7 10.750 -3.081 -0.366 1.00 0.32 C ATOM 200 C4' A A 7 10.157 -2.010 0.552 1.00 0.30 C ATOM 201 O4' A A 7 9.802 -0.845 -0.211 1.00 0.29 O ATOM 202 C3' A A 7 8.870 -2.501 1.190 1.00 0.29 C ATOM 203 O3' A A 7 8.560 -1.781 2.393 1.00 0.36 O ATOM 204 C2' A A 7 7.864 -2.182 0.148 1.00 0.25 C ATOM 205 O2' A A 7 6.565 -2.081 0.710 1.00 0.32 O ATOM 206 C1' A A 7 8.377 -0.866 -0.434 1.00 0.25 C ATOM 207 N9 A A 7 8.077 -0.737 -1.864 1.00 0.27 N ATOM 208 C8 A A 7 7.549 -1.619 -2.719 1.00 0.28 C ATOM 209 N7 A A 7 7.388 -1.298 -3.947 1.00 0.35 N ATOM 210 C5 A A 7 7.883 0.011 -3.931 1.00 0.41 C ATOM 211 C6 A A 7 8.021 0.985 -4.923 1.00 0.53 C ATOM 212 N6 A A 7 7.669 0.784 -6.190 1.00 0.61 N ATOM 213 N1 A A 7 8.544 2.168 -4.563 1.00 0.60 N ATOM 214 C2 A A 7 8.915 2.386 -3.298 1.00 0.55 C ATOM 215 N3 A A 7 8.832 1.538 -2.277 1.00 0.44 N ATOM 216 C4 A A 7 8.304 0.361 -2.663 1.00 0.36 C ATOM 0 H5' A A 7 11.527 -2.637 -0.988 1.00 0.32 H new ATOM 0 H5'' A A 7 11.227 -3.854 0.237 1.00 0.32 H new ATOM 0 H4' A A 7 10.909 -1.784 1.308 1.00 0.30 H new ATOM 0 H3' A A 7 8.917 -3.551 1.478 1.00 0.29 H new ATOM 0 H2' A A 7 7.759 -2.949 -0.619 1.00 0.25 H new ATOM 0 HO2' A A 7 6.111 -1.293 0.345 1.00 0.32 H new ATOM 0 H1' A A 7 7.882 -0.026 0.052 1.00 0.25 H new ATOM 0 H8 A A 7 7.259 -2.600 -2.374 1.00 0.28 H new ATOM 0 H61 A A 7 7.790 1.528 -6.877 1.00 0.61 H new ATOM 0 H62 A A 7 7.278 -0.114 -6.474 1.00 0.61 H new ATOM 0 H2 A A 7 9.328 3.360 -3.080 1.00 0.55 H new ATOM 228 P A A 8 9.539 -1.791 3.670 1.00 0.49 P ATOM 229 OP1 A A 8 10.848 -2.352 3.265 1.00 0.68 O ATOM 230 OP2 A A 8 8.802 -2.382 4.809 1.00 0.54 O ATOM 231 O5' A A 8 9.728 -0.219 3.955 1.00 0.48 O ATOM 232 C5' A A 8 10.523 0.594 3.083 1.00 0.49 C ATOM 233 C4' A A 8 9.785 1.859 2.647 1.00 0.40 C ATOM 234 O4' A A 8 8.737 1.582 1.672 1.00 0.35 O ATOM 235 C3' A A 8 9.117 2.535 3.826 1.00 0.38 C ATOM 236 O3' A A 8 9.255 3.965 3.722 1.00 0.37 O ATOM 237 C2' A A 8 7.682 2.067 3.740 1.00 0.35 C ATOM 238 O2' A A 8 6.743 2.986 4.302 1.00 0.37 O ATOM 239 C1' A A 8 7.441 1.866 2.260 1.00 0.30 C ATOM 240 N9 A A 8 6.441 0.801 2.027 1.00 0.30 N ATOM 241 C8 A A 8 5.774 0.055 2.915 1.00 0.33 C ATOM 242 N7 A A 8 4.838 -0.729 2.533 1.00 0.36 N ATOM 243 C5 A A 8 4.865 -0.489 1.155 1.00 0.32 C ATOM 244 C6 A A 8 4.120 -1.004 0.090 1.00 0.34 C ATOM 245 N6 A A 8 3.143 -1.892 0.251 1.00 0.39 N ATOM 246 N1 A A 8 4.416 -0.565 -1.144 1.00 0.34 N ATOM 247 C2 A A 8 5.388 0.331 -1.327 1.00 0.33 C ATOM 248 N3 A A 8 6.154 0.896 -0.395 1.00 0.30 N ATOM 249 C4 A A 8 5.843 0.440 0.834 1.00 0.29 C ATOM 0 H5' A A 8 10.802 0.015 2.202 1.00 0.49 H new ATOM 0 H5'' A A 8 11.448 0.870 3.589 1.00 0.49 H new ATOM 0 H4' A A 8 10.546 2.501 2.203 1.00 0.40 H new ATOM 0 H3' A A 8 9.556 2.283 4.792 1.00 0.38 H new ATOM 0 H2' A A 8 7.535 1.159 4.325 1.00 0.35 H new ATOM 0 HO2' A A 8 6.601 3.730 3.680 1.00 0.37 H new ATOM 0 H1' A A 8 7.015 2.752 1.790 1.00 0.30 H new ATOM 0 H8 A A 8 6.028 0.115 3.963 1.00 0.33 H new ATOM 0 H61 A A 8 2.629 -2.237 -0.560 1.00 0.39 H new ATOM 0 H62 A A 8 2.908 -2.228 1.185 1.00 0.39 H new ATOM 0 H2 A A 8 5.575 0.632 -2.347 1.00 0.33 H new ATOM 261 P C A 9 8.469 4.982 4.698 1.00 0.37 P ATOM 262 OP1 C A 9 9.197 6.271 4.710 1.00 0.46 O ATOM 263 OP2 C A 9 8.177 4.288 5.973 1.00 0.44 O ATOM 264 O5' C A 9 7.088 5.184 3.887 1.00 0.31 O ATOM 265 C5' C A 9 7.136 5.602 2.522 1.00 0.32 C ATOM 266 C4' C A 9 5.862 5.281 1.738 1.00 0.27 C ATOM 267 O4' C A 9 5.675 3.879 1.453 1.00 0.27 O ATOM 268 C3' C A 9 4.605 5.675 2.464 1.00 0.25 C ATOM 269 O3' C A 9 4.374 7.094 2.478 1.00 0.29 O ATOM 270 C2' C A 9 3.557 4.951 1.679 1.00 0.23 C ATOM 271 O2' C A 9 3.113 5.740 0.573 1.00 0.26 O ATOM 272 C1' C A 9 4.255 3.702 1.176 1.00 0.23 C ATOM 273 N1 C A 9 3.661 2.519 1.829 1.00 0.23 N ATOM 274 C2 C A 9 2.862 1.704 1.042 1.00 0.23 C ATOM 275 O2 C A 9 2.746 1.931 -0.158 1.00 0.25 O ATOM 276 N3 C A 9 2.223 0.660 1.628 1.00 0.25 N ATOM 277 C4 C A 9 2.360 0.417 2.934 1.00 0.26 C ATOM 278 N4 C A 9 1.734 -0.630 3.465 1.00 0.30 N ATOM 279 C5 C A 9 3.185 1.252 3.757 1.00 0.26 C ATOM 280 C6 C A 9 3.815 2.288 3.164 1.00 0.24 C ATOM 0 H5' C A 9 7.984 5.122 2.033 1.00 0.32 H new ATOM 0 H5'' C A 9 7.314 6.677 2.486 1.00 0.32 H new ATOM 0 H4' C A 9 6.014 5.854 0.823 1.00 0.27 H new ATOM 0 H3' C A 9 4.632 5.419 3.523 1.00 0.25 H new ATOM 0 H2' C A 9 2.676 4.731 2.281 1.00 0.23 H new ATOM 0 HO2' C A 9 2.301 5.344 0.193 1.00 0.26 H new ATOM 0 H1' C A 9 4.131 3.543 0.105 1.00 0.23 H new ATOM 0 H41 C A 9 1.828 -0.829 4.461 1.00 0.30 H new ATOM 0 H42 C A 9 1.160 -1.233 2.876 1.00 0.30 H new ATOM 0 H5 C A 9 3.298 1.059 4.814 1.00 0.26 H new ATOM 0 H6 C A 9 4.446 2.939 3.751 1.00 0.24 H new ATOM 292 P A A 10 2.939 7.692 2.940 1.00 0.33 P ATOM 293 OP1 A A 10 3.109 9.136 3.221 1.00 0.42 O ATOM 294 OP2 A A 10 2.377 6.800 3.979 1.00 0.37 O ATOM 295 O5' A A 10 2.034 7.537 1.606 1.00 0.30 O ATOM 296 C5' A A 10 2.126 8.499 0.546 1.00 0.35 C ATOM 297 C4' A A 10 1.264 8.124 -0.665 1.00 0.31 C ATOM 298 O4' A A 10 1.587 6.805 -1.170 1.00 0.31 O ATOM 299 C3' A A 10 -0.216 8.106 -0.327 1.00 0.28 C ATOM 300 O3' A A 10 -0.832 9.382 -0.535 1.00 0.31 O ATOM 301 C2' A A 10 -0.776 7.049 -1.229 1.00 0.27 C ATOM 302 O2' A A 10 -1.150 7.597 -2.499 1.00 0.30 O ATOM 303 C1' A A 10 0.359 6.059 -1.370 1.00 0.27 C ATOM 304 N9 A A 10 0.221 5.000 -0.357 1.00 0.25 N ATOM 305 C8 A A 10 0.728 4.922 0.884 1.00 0.25 C ATOM 306 N7 A A 10 0.480 3.905 1.614 1.00 0.24 N ATOM 307 C5 A A 10 -0.328 3.168 0.742 1.00 0.22 C ATOM 308 C6 A A 10 -0.967 1.940 0.871 1.00 0.21 C ATOM 309 N6 A A 10 -0.875 1.206 1.978 1.00 0.23 N ATOM 310 N1 A A 10 -1.693 1.500 -0.180 1.00 0.21 N ATOM 311 C2 A A 10 -1.775 2.239 -1.295 1.00 0.22 C ATOM 312 N3 A A 10 -1.206 3.417 -1.525 1.00 0.24 N ATOM 313 C4 A A 10 -0.492 3.829 -0.462 1.00 0.23 C ATOM 0 H5' A A 10 3.166 8.591 0.233 1.00 0.35 H new ATOM 0 H5'' A A 10 1.818 9.476 0.919 1.00 0.35 H new ATOM 0 H4' A A 10 1.478 8.887 -1.413 1.00 0.31 H new ATOM 0 H3' A A 10 -0.401 7.892 0.726 1.00 0.28 H new ATOM 0 H2' A A 10 -1.683 6.593 -0.832 1.00 0.27 H new ATOM 0 HO2' A A 10 -2.113 7.777 -2.507 1.00 0.30 H new ATOM 0 H1' A A 10 0.356 5.580 -2.349 1.00 0.27 H new ATOM 0 H8 A A 10 1.347 5.721 1.265 1.00 0.25 H new ATOM 0 H61 A A 10 -1.358 0.309 2.037 1.00 0.23 H new ATOM 0 H62 A A 10 -0.322 1.540 2.767 1.00 0.23 H new ATOM 0 H2 A A 10 -2.371 1.830 -2.097 1.00 0.22 H new ATOM 325 P C A 11 -1.453 10.194 0.716 1.00 0.33 P ATOM 326 OP1 C A 11 -1.451 11.635 0.381 1.00 0.39 O ATOM 327 OP2 C A 11 -0.790 9.720 1.952 1.00 0.39 O ATOM 328 O5' C A 11 -2.982 9.686 0.744 1.00 0.29 O ATOM 329 C5' C A 11 -3.796 9.783 -0.428 1.00 0.27 C ATOM 330 C4' C A 11 -4.341 8.423 -0.853 1.00 0.22 C ATOM 331 O4' C A 11 -3.327 7.396 -0.767 1.00 0.22 O ATOM 332 C3' C A 11 -5.456 7.957 0.054 1.00 0.20 C ATOM 333 O3' C A 11 -6.752 8.511 -0.289 1.00 0.23 O ATOM 334 C2' C A 11 -5.408 6.457 -0.080 1.00 0.18 C ATOM 335 O2' C A 11 -6.212 5.983 -1.159 1.00 0.21 O ATOM 336 C1' C A 11 -3.949 6.155 -0.339 1.00 0.19 C ATOM 337 N1 C A 11 -3.320 5.587 0.874 1.00 0.20 N ATOM 338 C2 C A 11 -3.679 4.290 1.210 1.00 0.20 C ATOM 339 O2 C A 11 -4.479 3.675 0.514 1.00 0.23 O ATOM 340 N3 C A 11 -3.132 3.730 2.317 1.00 0.22 N ATOM 341 C4 C A 11 -2.264 4.409 3.071 1.00 0.24 C ATOM 342 N4 C A 11 -1.742 3.818 4.141 1.00 0.28 N ATOM 343 C5 C A 11 -1.886 5.751 2.734 1.00 0.26 C ATOM 344 C6 C A 11 -2.437 6.299 1.631 1.00 0.23 C ATOM 0 H5' C A 11 -3.211 10.211 -1.242 1.00 0.27 H new ATOM 0 H5'' C A 11 -4.626 10.464 -0.239 1.00 0.27 H new ATOM 0 H4' C A 11 -4.691 8.562 -1.876 1.00 0.22 H new ATOM 0 H3' C A 11 -5.319 8.296 1.081 1.00 0.20 H new ATOM 0 H2' C A 11 -5.800 5.965 0.810 1.00 0.18 H new ATOM 0 HO2' C A 11 -7.084 6.429 -1.137 1.00 0.21 H new ATOM 0 H1' C A 11 -3.824 5.404 -1.119 1.00 0.19 H new ATOM 0 H41 C A 11 -1.077 4.322 4.728 1.00 0.28 H new ATOM 0 H42 C A 11 -2.006 2.861 4.375 1.00 0.28 H new ATOM 0 H5 C A 11 -1.185 6.304 3.342 1.00 0.26 H new ATOM 0 H6 C A 11 -2.177 7.308 1.346 1.00 0.23 H new ATOM 356 P C A 12 -7.233 8.798 -1.809 1.00 0.27 P ATOM 357 OP1 C A 12 -6.075 9.268 -2.602 1.00 0.33 O ATOM 358 OP2 C A 12 -8.461 9.623 -1.751 1.00 0.34 O ATOM 359 O5' C A 12 -7.642 7.333 -2.332 1.00 0.27 O ATOM 360 C5' C A 12 -9.007 6.919 -2.437 1.00 0.30 C ATOM 361 C4' C A 12 -9.572 6.380 -1.117 1.00 0.29 C ATOM 362 O4' C A 12 -8.579 5.719 -0.311 1.00 0.25 O ATOM 363 C3' C A 12 -10.149 7.477 -0.241 1.00 0.32 C ATOM 364 O3' C A 12 -11.526 7.730 -0.555 1.00 0.41 O ATOM 365 C2' C A 12 -9.990 6.957 1.172 1.00 0.36 C ATOM 366 O2' C A 12 -11.256 6.556 1.711 1.00 0.48 O ATOM 367 C1' C A 12 -9.040 5.763 1.059 1.00 0.29 C ATOM 368 N1 C A 12 -7.922 5.863 2.029 1.00 0.26 N ATOM 369 C2 C A 12 -7.631 4.731 2.781 1.00 0.26 C ATOM 370 O2 C A 12 -8.300 3.707 2.647 1.00 0.28 O ATOM 371 N3 C A 12 -6.606 4.790 3.673 1.00 0.27 N ATOM 372 C4 C A 12 -5.893 5.912 3.823 1.00 0.28 C ATOM 373 N4 C A 12 -4.891 5.938 4.699 1.00 0.32 N ATOM 374 C5 C A 12 -6.186 7.080 3.057 1.00 0.28 C ATOM 375 C6 C A 12 -7.205 7.014 2.176 1.00 0.26 C ATOM 0 H5' C A 12 -9.089 6.148 -3.203 1.00 0.30 H new ATOM 0 H5'' C A 12 -9.613 7.763 -2.768 1.00 0.30 H new ATOM 0 H4' C A 12 -10.345 5.679 -1.432 1.00 0.29 H new ATOM 0 H3' C A 12 -9.641 8.430 -0.388 1.00 0.32 H new ATOM 0 H2' C A 12 -9.599 7.721 1.844 1.00 0.36 H new ATOM 0 HO2' C A 12 -11.970 6.804 1.087 1.00 0.48 H new ATOM 0 HO3' C A 12 -11.869 8.440 0.027 1.00 0.41 H new ATOM 0 H1' C A 12 -9.553 4.834 1.309 1.00 0.29 H new ATOM 0 H41 C A 12 -4.342 6.789 4.820 1.00 0.32 H new ATOM 0 H42 C A 12 -4.673 5.107 5.249 1.00 0.32 H new ATOM 0 H5 C A 12 -5.611 7.986 3.179 1.00 0.28 H new ATOM 0 H6 C A 12 -7.456 7.880 1.582 1.00 0.26 H new TER 388 C A 12