USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 152 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 -30:sc= 0.0646 USER MOD Single : A 1 G O5' : rot 180:sc= -0.604 USER MOD Single : A 2 G O2' : rot -24:sc= 0.0646 USER MOD Single : A 3 U O2' : rot 180:sc= -0.0946 USER MOD Single : A 4 A O2' : rot 180:sc= -0.931 USER MOD Single : A 5 U O2' : rot -21:sc= 0.115 USER MOD Single : A 6 C O2' : rot -174:sc= -2.04! USER MOD Single : A 7 A O2' : rot -148:sc= 1.51 USER MOD Single : A 8 C O2' : rot 140:sc= 0.866 USER MOD Single : A 9 G O2' : rot -77:sc= 0.664 USER MOD Single : A 10 G O2' : rot -20:sc= 0.104 USER MOD Single : A 11 U O2' : rot -17:sc= 0.0862 USER MOD Single : A 12 A O2' : rot -15:sc= 0.0624 USER MOD Single : A 13 C O2' : rot 180:sc= -0.354 USER MOD Single : A 14 C O2' : rot -19:sc= 0.0993 USER MOD Single : A 14 C O3' : rot 180:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -10.791 -5.304 -2.162 1.00 0.00 O ATOM 2 C5' G A 1 -11.427 -6.228 -3.048 1.00 0.00 C ATOM 3 C4' G A 1 -11.297 -5.768 -4.481 1.00 0.00 C ATOM 4 O4' G A 1 -11.994 -4.501 -4.634 1.00 0.00 O ATOM 5 C3' G A 1 -9.876 -5.478 -4.944 1.00 0.00 C ATOM 6 O3' G A 1 -9.219 -6.663 -5.386 1.00 0.00 O ATOM 7 C2' G A 1 -10.102 -4.472 -6.064 1.00 0.00 C ATOM 8 O2' G A 1 -10.555 -5.109 -7.243 1.00 0.00 O ATOM 9 C1' G A 1 -11.249 -3.646 -5.484 1.00 0.00 C ATOM 10 N9 G A 1 -10.801 -2.501 -4.697 1.00 0.00 N ATOM 11 C8 G A 1 -10.696 -2.432 -3.330 1.00 0.00 C ATOM 12 N7 G A 1 -10.263 -1.278 -2.903 1.00 0.00 N ATOM 13 C5 G A 1 -10.068 -0.537 -4.061 1.00 0.00 C ATOM 14 C6 G A 1 -9.606 0.793 -4.233 1.00 0.00 C ATOM 15 O6 G A 1 -9.266 1.608 -3.368 1.00 0.00 O ATOM 16 N1 G A 1 -9.558 1.149 -5.577 1.00 0.00 N ATOM 17 C2 G A 1 -9.911 0.330 -6.622 1.00 0.00 C ATOM 18 N2 G A 1 -9.797 0.856 -7.850 1.00 0.00 N ATOM 19 N3 G A 1 -10.344 -0.913 -6.476 1.00 0.00 N ATOM 20 C4 G A 1 -10.397 -1.278 -5.177 1.00 0.00 C ATOM 0 H5' G A 1 -12.481 -6.325 -2.786 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.979 -7.215 -2.935 1.00 0.00 H new ATOM 0 H4' G A 1 -11.698 -6.594 -5.069 1.00 0.00 H new ATOM 0 H3' G A 1 -9.221 -5.097 -4.161 1.00 0.00 H new ATOM 0 H2' G A 1 -9.205 -3.917 -6.338 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.188 -6.017 -7.286 1.00 0.00 H new ATOM 0 HO5' G A 1 -10.887 -5.617 -1.238 1.00 0.00 H new ATOM 0 H1' G A 1 -11.832 -3.252 -6.316 1.00 0.00 H new ATOM 0 H8 G A 1 -10.947 -3.252 -2.673 1.00 0.00 H new ATOM 0 H1 G A 1 -9.236 2.090 -5.804 1.00 0.00 H new ATOM 0 H21 G A 1 -10.043 0.299 -8.668 1.00 0.00 H new ATOM 0 H22 G A 1 -9.464 1.813 -7.966 1.00 0.00 H new ATOM 32 P G A 2 -7.623 -6.796 -5.233 1.00 0.00 P ATOM 33 OP1 G A 2 -7.263 -8.194 -5.580 1.00 0.00 O ATOM 34 OP2 G A 2 -7.231 -6.245 -3.911 1.00 0.00 O ATOM 35 O5' G A 2 -7.038 -5.843 -6.367 1.00 0.00 O ATOM 36 C5' G A 2 -7.142 -6.200 -7.742 1.00 0.00 C ATOM 37 C4' G A 2 -6.523 -5.129 -8.610 1.00 0.00 C ATOM 38 O4' G A 2 -7.252 -3.886 -8.417 1.00 0.00 O ATOM 39 C3' G A 2 -5.077 -4.768 -8.293 1.00 0.00 C ATOM 40 O3' G A 2 -4.159 -5.654 -8.925 1.00 0.00 O ATOM 41 C2' G A 2 -4.981 -3.347 -8.826 1.00 0.00 C ATOM 42 O2' G A 2 -4.888 -3.334 -10.238 1.00 0.00 O ATOM 43 C1' G A 2 -6.346 -2.796 -8.421 1.00 0.00 C ATOM 44 N9 G A 2 -6.362 -2.188 -7.095 1.00 0.00 N ATOM 45 C8 G A 2 -6.772 -2.774 -5.923 1.00 0.00 C ATOM 46 N7 G A 2 -6.692 -1.978 -4.893 1.00 0.00 N ATOM 47 C5 G A 2 -6.185 -0.796 -5.414 1.00 0.00 C ATOM 48 C6 G A 2 -5.876 0.430 -4.774 1.00 0.00 C ATOM 49 O6 G A 2 -5.992 0.726 -3.579 1.00 0.00 O ATOM 50 N1 G A 2 -5.385 1.368 -5.676 1.00 0.00 N ATOM 51 C2 G A 2 -5.213 1.154 -7.022 1.00 0.00 C ATOM 52 N2 G A 2 -4.727 2.186 -7.727 1.00 0.00 N ATOM 53 N3 G A 2 -5.495 0.015 -7.631 1.00 0.00 N ATOM 54 C4 G A 2 -5.975 -0.910 -6.773 1.00 0.00 C ATOM 0 H5' G A 2 -8.189 -6.336 -8.011 1.00 0.00 H new ATOM 0 H5'' G A 2 -6.642 -7.153 -7.916 1.00 0.00 H new ATOM 0 H4' G A 2 -6.565 -5.550 -9.615 1.00 0.00 H new ATOM 0 H3' G A 2 -4.823 -4.847 -7.236 1.00 0.00 H new ATOM 0 H2' G A 2 -4.115 -2.799 -8.455 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.528 -4.190 -10.550 1.00 0.00 H new ATOM 0 H1' G A 2 -6.614 -2.013 -9.131 1.00 0.00 H new ATOM 0 H8 G A 2 -7.126 -3.793 -5.860 1.00 0.00 H new ATOM 0 H1 G A 2 -5.133 2.286 -5.310 1.00 0.00 H new ATOM 0 H21 G A 2 -4.576 2.092 -8.731 1.00 0.00 H new ATOM 0 H22 G A 2 -4.508 3.065 -7.259 1.00 0.00 H new ATOM 66 P U A 3 -2.738 -5.955 -8.236 1.00 0.00 P ATOM 67 OP1 U A 3 -2.030 -6.946 -9.085 1.00 0.00 O ATOM 68 OP2 U A 3 -2.966 -6.250 -6.799 1.00 0.00 O ATOM 69 O5' U A 3 -1.965 -4.567 -8.344 1.00 0.00 O ATOM 70 C5' U A 3 -1.534 -4.070 -9.606 1.00 0.00 C ATOM 71 C4' U A 3 -0.946 -2.689 -9.447 1.00 0.00 C ATOM 72 O4' U A 3 -1.959 -1.817 -8.884 1.00 0.00 O ATOM 73 C3' U A 3 0.217 -2.562 -8.475 1.00 0.00 C ATOM 74 O3' U A 3 1.453 -2.925 -9.081 1.00 0.00 O ATOM 75 C2' U A 3 0.167 -1.085 -8.103 1.00 0.00 C ATOM 76 O2' U A 3 0.737 -0.282 -9.119 1.00 0.00 O ATOM 77 C1' U A 3 -1.341 -0.832 -8.075 1.00 0.00 C ATOM 78 N1 U A 3 -1.922 -0.899 -6.726 1.00 0.00 N ATOM 79 C2 U A 3 -1.813 0.224 -5.928 1.00 0.00 C ATOM 80 O2 U A 3 -1.255 1.243 -6.296 1.00 0.00 O ATOM 81 N3 U A 3 -2.382 0.110 -4.684 1.00 0.00 N ATOM 82 C4 U A 3 -3.036 -0.989 -4.170 1.00 0.00 C ATOM 83 O4 U A 3 -3.497 -0.942 -3.029 1.00 0.00 O ATOM 84 C5 U A 3 -3.103 -2.108 -5.055 1.00 0.00 C ATOM 85 C6 U A 3 -2.553 -2.034 -6.272 1.00 0.00 C ATOM 0 H5' U A 3 -2.375 -4.038 -10.299 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.792 -4.742 -10.036 1.00 0.00 H new ATOM 0 H4' U A 3 -0.595 -2.439 -10.448 1.00 0.00 H new ATOM 0 H3' U A 3 0.143 -3.225 -7.613 1.00 0.00 H new ATOM 0 H2' U A 3 0.704 -0.855 -7.183 1.00 0.00 H new ATOM 0 HO2' U A 3 0.691 0.661 -8.855 1.00 0.00 H new ATOM 0 H1' U A 3 -1.514 0.180 -8.441 1.00 0.00 H new ATOM 0 H3 U A 3 -2.314 0.925 -4.075 1.00 0.00 H new ATOM 0 H5 U A 3 -3.598 -3.015 -4.741 1.00 0.00 H new ATOM 0 H6 U A 3 -2.606 -2.896 -6.921 1.00 0.00 H new ATOM 96 P A A 4 2.678 -3.422 -8.163 1.00 0.00 P ATOM 97 OP1 A A 4 3.739 -3.919 -9.076 1.00 0.00 O ATOM 98 OP2 A A 4 2.139 -4.318 -7.108 1.00 0.00 O ATOM 99 O5' A A 4 3.210 -2.091 -7.467 1.00 0.00 O ATOM 100 C5' A A 4 3.837 -1.066 -8.233 1.00 0.00 C ATOM 101 C4' A A 4 4.210 0.097 -7.343 1.00 0.00 C ATOM 102 O4' A A 4 3.003 0.623 -6.728 1.00 0.00 O ATOM 103 C3' A A 4 5.119 -0.238 -6.168 1.00 0.00 C ATOM 104 O3' A A 4 6.494 -0.203 -6.534 1.00 0.00 O ATOM 105 C2' A A 4 4.775 0.853 -5.163 1.00 0.00 C ATOM 106 O2' A A 4 5.406 2.074 -5.497 1.00 0.00 O ATOM 107 C1' A A 4 3.273 1.004 -5.391 1.00 0.00 C ATOM 108 N9 A A 4 2.459 0.177 -4.502 1.00 0.00 N ATOM 109 C8 A A 4 1.949 -1.075 -4.741 1.00 0.00 C ATOM 110 N7 A A 4 1.241 -1.556 -3.747 1.00 0.00 N ATOM 111 C5 A A 4 1.295 -0.556 -2.786 1.00 0.00 C ATOM 112 C6 A A 4 0.746 -0.453 -1.496 1.00 0.00 C ATOM 113 N6 A A 4 0.002 -1.405 -0.929 1.00 0.00 N ATOM 114 N1 A A 4 0.992 0.677 -0.799 1.00 0.00 N ATOM 115 C2 A A 4 1.738 1.633 -1.367 1.00 0.00 C ATOM 116 N3 A A 4 2.307 1.652 -2.570 1.00 0.00 N ATOM 117 C4 A A 4 2.044 0.515 -3.236 1.00 0.00 C ATOM 0 H5' A A 4 3.165 -0.729 -9.022 1.00 0.00 H new ATOM 0 H5'' A A 4 4.728 -1.460 -8.721 1.00 0.00 H new ATOM 0 H4' A A 4 4.736 0.784 -8.006 1.00 0.00 H new ATOM 0 H3' A A 4 4.969 -1.246 -5.781 1.00 0.00 H new ATOM 0 H2' A A 4 5.079 0.614 -4.144 1.00 0.00 H new ATOM 0 HO2' A A 4 5.167 2.757 -4.836 1.00 0.00 H new ATOM 0 H1' A A 4 3.010 2.041 -5.184 1.00 0.00 H new ATOM 0 H8 A A 4 2.115 -1.614 -5.662 1.00 0.00 H new ATOM 0 H61 A A 4 -0.368 -1.270 0.012 1.00 0.00 H new ATOM 0 H62 A A 4 -0.196 -2.267 -1.437 1.00 0.00 H new ATOM 0 H2 A A 4 1.901 2.514 -0.763 1.00 0.00 H new ATOM 129 P U A 5 7.561 -1.079 -5.711 1.00 0.00 P ATOM 130 OP1 U A 5 8.885 -0.884 -6.355 1.00 0.00 O ATOM 131 OP2 U A 5 7.017 -2.452 -5.553 1.00 0.00 O ATOM 132 O5' U A 5 7.604 -0.389 -4.275 1.00 0.00 O ATOM 133 C5' U A 5 8.022 0.965 -4.122 1.00 0.00 C ATOM 134 C4' U A 5 7.736 1.441 -2.718 1.00 0.00 C ATOM 135 O4' U A 5 6.303 1.375 -2.485 1.00 0.00 O ATOM 136 C3' U A 5 8.349 0.597 -1.609 1.00 0.00 C ATOM 137 O3' U A 5 9.672 1.019 -1.299 1.00 0.00 O ATOM 138 C2' U A 5 7.389 0.821 -0.448 1.00 0.00 C ATOM 139 O2' U A 5 7.628 2.067 0.179 1.00 0.00 O ATOM 140 C1' U A 5 6.049 0.895 -1.177 1.00 0.00 C ATOM 141 N1 U A 5 5.360 -0.398 -1.289 1.00 0.00 N ATOM 142 C2 U A 5 4.450 -0.737 -0.302 1.00 0.00 C ATOM 143 O2 U A 5 4.206 -0.014 0.651 1.00 0.00 O ATOM 144 N3 U A 5 3.836 -1.953 -0.475 1.00 0.00 N ATOM 145 C4 U A 5 4.036 -2.845 -1.507 1.00 0.00 C ATOM 146 O4 U A 5 3.405 -3.904 -1.524 1.00 0.00 O ATOM 147 C5 U A 5 4.993 -2.423 -2.480 1.00 0.00 C ATOM 148 C6 U A 5 5.611 -1.245 -2.344 1.00 0.00 C ATOM 0 H5' U A 5 7.502 1.598 -4.842 1.00 0.00 H new ATOM 0 H5'' U A 5 9.088 1.051 -4.333 1.00 0.00 H new ATOM 0 H4' U A 5 8.167 2.441 -2.673 1.00 0.00 H new ATOM 0 H3' U A 5 8.458 -0.455 -1.874 1.00 0.00 H new ATOM 0 H2' U A 5 7.465 0.059 0.328 1.00 0.00 H new ATOM 0 HO2' U A 5 8.537 2.369 -0.028 1.00 0.00 H new ATOM 0 H1' U A 5 5.397 1.549 -0.598 1.00 0.00 H new ATOM 0 H3 U A 5 3.159 -2.226 0.237 1.00 0.00 H new ATOM 0 H5 U A 5 5.218 -3.056 -3.326 1.00 0.00 H new ATOM 0 H6 U A 5 6.334 -0.947 -3.089 1.00 0.00 H new ATOM 159 P C A 6 10.530 0.211 -0.205 1.00 0.00 P ATOM 160 OP1 C A 6 11.616 1.111 0.260 1.00 0.00 O ATOM 161 OP2 C A 6 10.871 -1.120 -0.770 1.00 0.00 O ATOM 162 O5' C A 6 9.514 -0.003 1.003 1.00 0.00 O ATOM 163 C5' C A 6 9.738 0.616 2.267 1.00 0.00 C ATOM 164 C4' C A 6 8.760 0.083 3.288 1.00 0.00 C ATOM 165 O4' C A 6 7.477 -0.134 2.643 1.00 0.00 O ATOM 166 C3' C A 6 9.115 -1.270 3.886 1.00 0.00 C ATOM 167 O3' C A 6 10.000 -1.140 4.993 1.00 0.00 O ATOM 168 C2' C A 6 7.756 -1.819 4.304 1.00 0.00 C ATOM 169 O2' C A 6 7.338 -1.264 5.534 1.00 0.00 O ATOM 170 C1' C A 6 6.852 -1.278 3.196 1.00 0.00 C ATOM 171 N1 C A 6 6.616 -2.248 2.115 1.00 0.00 N ATOM 172 C2 C A 6 5.419 -2.969 2.100 1.00 0.00 C ATOM 173 O2 C A 6 4.586 -2.766 2.996 1.00 0.00 O ATOM 174 N3 C A 6 5.202 -3.867 1.112 1.00 0.00 N ATOM 175 C4 C A 6 6.125 -4.054 0.166 1.00 0.00 C ATOM 176 N4 C A 6 5.869 -4.952 -0.788 1.00 0.00 N ATOM 177 C5 C A 6 7.352 -3.330 0.157 1.00 0.00 C ATOM 178 C6 C A 6 7.553 -2.445 1.141 1.00 0.00 C ATOM 0 H5' C A 6 9.627 1.697 2.176 1.00 0.00 H new ATOM 0 H5'' C A 6 10.759 0.427 2.597 1.00 0.00 H new ATOM 0 H4' C A 6 8.763 0.831 4.081 1.00 0.00 H new ATOM 0 H3' C A 6 9.645 -1.923 3.192 1.00 0.00 H new ATOM 0 H2' C A 6 7.752 -2.902 4.429 1.00 0.00 H new ATOM 0 HO2' C A 6 6.514 -1.706 5.829 1.00 0.00 H new ATOM 0 H1' C A 6 5.883 -1.050 3.641 1.00 0.00 H new ATOM 0 H41 C A 6 6.552 -5.120 -1.527 1.00 0.00 H new ATOM 0 H42 C A 6 4.990 -5.470 -0.778 1.00 0.00 H new ATOM 0 H5 C A 6 8.091 -3.489 -0.614 1.00 0.00 H new ATOM 0 H6 C A 6 8.471 -1.877 1.165 1.00 0.00 H new ATOM 190 P A A 7 10.771 -2.435 5.554 1.00 0.00 P ATOM 191 OP1 A A 7 12.162 -2.022 5.866 1.00 0.00 O ATOM 192 OP2 A A 7 10.533 -3.563 4.617 1.00 0.00 O ATOM 193 O5' A A 7 10.032 -2.763 6.927 1.00 0.00 O ATOM 194 C5' A A 7 10.466 -3.841 7.753 1.00 0.00 C ATOM 195 C4' A A 7 9.712 -3.828 9.061 1.00 0.00 C ATOM 196 O4' A A 7 9.648 -2.456 9.541 1.00 0.00 O ATOM 197 C3' A A 7 8.265 -4.300 8.974 1.00 0.00 C ATOM 198 O3' A A 7 7.851 -4.949 10.172 1.00 0.00 O ATOM 199 C2' A A 7 7.497 -3.005 8.734 1.00 0.00 C ATOM 200 O2' A A 7 6.186 -3.082 9.259 1.00 0.00 O ATOM 201 C1' A A 7 8.303 -2.025 9.581 1.00 0.00 C ATOM 202 N9 A A 7 8.252 -0.639 9.114 1.00 0.00 N ATOM 203 C8 A A 7 8.283 -0.179 7.820 1.00 0.00 C ATOM 204 N7 A A 7 8.227 1.127 7.723 1.00 0.00 N ATOM 205 C5 A A 7 8.154 1.557 9.040 1.00 0.00 C ATOM 206 C6 A A 7 8.073 2.838 9.614 1.00 0.00 C ATOM 207 N6 A A 7 8.053 3.969 8.904 1.00 0.00 N ATOM 208 N1 A A 7 8.015 2.920 10.961 1.00 0.00 N ATOM 209 C2 A A 7 8.038 1.787 11.674 1.00 0.00 C ATOM 210 N3 A A 7 8.112 0.527 11.250 1.00 0.00 N ATOM 211 C4 A A 7 8.168 0.480 9.908 1.00 0.00 C ATOM 0 H5' A A 7 11.537 -3.758 7.940 1.00 0.00 H new ATOM 0 H5'' A A 7 10.305 -4.790 7.241 1.00 0.00 H new ATOM 0 H4' A A 7 10.254 -4.514 9.712 1.00 0.00 H new ATOM 0 H3' A A 7 8.102 -5.042 8.192 1.00 0.00 H new ATOM 0 H2' A A 7 7.395 -2.751 7.679 1.00 0.00 H new ATOM 0 HO2' A A 7 5.581 -2.543 8.708 1.00 0.00 H new ATOM 0 H1' A A 7 7.872 -2.025 10.582 1.00 0.00 H new ATOM 0 H8 A A 7 8.347 -0.832 6.963 1.00 0.00 H new ATOM 0 H61 A A 7 7.993 4.869 9.380 1.00 0.00 H new ATOM 0 H62 A A 7 8.098 3.933 7.886 1.00 0.00 H new ATOM 0 H2 A A 7 7.990 1.913 12.746 1.00 0.00 H new ATOM 223 P C A 8 7.731 -6.553 10.213 1.00 0.00 P ATOM 224 OP1 C A 8 7.414 -6.941 11.611 1.00 0.00 O ATOM 225 OP2 C A 8 8.928 -7.126 9.546 1.00 0.00 O ATOM 226 O5' C A 8 6.457 -6.871 9.310 1.00 0.00 O ATOM 227 C5' C A 8 5.173 -6.353 9.646 1.00 0.00 C ATOM 228 C4' C A 8 4.128 -6.903 8.703 1.00 0.00 C ATOM 229 O4' C A 8 4.417 -6.418 7.361 1.00 0.00 O ATOM 230 C3' C A 8 4.100 -8.424 8.579 1.00 0.00 C ATOM 231 O3' C A 8 2.798 -8.910 8.275 1.00 0.00 O ATOM 232 C2' C A 8 5.064 -8.680 7.430 1.00 0.00 C ATOM 233 O2' C A 8 4.759 -9.887 6.758 1.00 0.00 O ATOM 234 C1' C A 8 4.724 -7.509 6.515 1.00 0.00 C ATOM 235 N1 C A 8 5.818 -7.114 5.616 1.00 0.00 N ATOM 236 C2 C A 8 6.035 -7.857 4.454 1.00 0.00 C ATOM 237 O2 C A 8 5.295 -8.822 4.214 1.00 0.00 O ATOM 238 N3 C A 8 7.042 -7.506 3.623 1.00 0.00 N ATOM 239 C4 C A 8 7.817 -6.460 3.920 1.00 0.00 C ATOM 240 N4 C A 8 8.800 -6.150 3.072 1.00 0.00 N ATOM 241 C5 C A 8 7.619 -5.686 5.099 1.00 0.00 C ATOM 242 C6 C A 8 6.614 -6.041 5.908 1.00 0.00 C ATOM 0 H5' C A 8 5.186 -5.264 9.592 1.00 0.00 H new ATOM 0 H5'' C A 8 4.923 -6.618 10.673 1.00 0.00 H new ATOM 0 H4' C A 8 3.175 -6.575 9.118 1.00 0.00 H new ATOM 0 H3' C A 8 4.374 -8.931 9.504 1.00 0.00 H new ATOM 0 H2' C A 8 6.106 -8.761 7.741 1.00 0.00 H new ATOM 0 HO2' C A 8 4.875 -9.763 5.793 1.00 0.00 H new ATOM 0 H1' C A 8 3.898 -7.808 5.869 1.00 0.00 H new ATOM 0 H41 C A 8 9.411 -5.357 3.268 1.00 0.00 H new ATOM 0 H42 C A 8 8.940 -6.706 2.228 1.00 0.00 H new ATOM 0 H5 C A 8 8.255 -4.845 5.331 1.00 0.00 H new ATOM 0 H6 C A 8 6.428 -5.471 6.806 1.00 0.00 H new ATOM 254 P G A 9 1.679 -8.976 9.425 1.00 0.00 P ATOM 255 OP1 G A 9 2.121 -8.099 10.538 1.00 0.00 O ATOM 256 OP2 G A 9 1.372 -10.404 9.695 1.00 0.00 O ATOM 257 O5' G A 9 0.400 -8.314 8.746 1.00 0.00 O ATOM 258 C5' G A 9 0.400 -6.939 8.370 1.00 0.00 C ATOM 259 C4' G A 9 0.406 -6.067 9.603 1.00 0.00 C ATOM 260 O4' G A 9 1.760 -5.624 9.871 1.00 0.00 O ATOM 261 C3' G A 9 -0.389 -4.774 9.499 1.00 0.00 C ATOM 262 O3' G A 9 -1.770 -4.990 9.762 1.00 0.00 O ATOM 263 C2' G A 9 0.268 -3.891 10.554 1.00 0.00 C ATOM 264 O2' G A 9 -0.220 -4.192 11.847 1.00 0.00 O ATOM 265 C1' G A 9 1.728 -4.342 10.470 1.00 0.00 C ATOM 266 N9 G A 9 2.571 -3.445 9.688 1.00 0.00 N ATOM 267 C8 G A 9 3.206 -2.318 10.142 1.00 0.00 C ATOM 268 N7 G A 9 3.890 -1.703 9.217 1.00 0.00 N ATOM 269 C5 G A 9 3.700 -2.477 8.081 1.00 0.00 C ATOM 270 C6 G A 9 4.198 -2.313 6.763 1.00 0.00 C ATOM 271 O6 G A 9 4.929 -1.419 6.322 1.00 0.00 O ATOM 272 N1 G A 9 3.761 -3.331 5.921 1.00 0.00 N ATOM 273 C2 G A 9 2.946 -4.371 6.297 1.00 0.00 C ATOM 274 N2 G A 9 2.633 -5.253 5.337 1.00 0.00 N ATOM 275 N3 G A 9 2.473 -4.534 7.521 1.00 0.00 N ATOM 276 C4 G A 9 2.888 -3.558 8.356 1.00 0.00 C ATOM 0 H5' G A 9 -0.478 -6.719 7.763 1.00 0.00 H new ATOM 0 H5'' G A 9 1.274 -6.721 7.756 1.00 0.00 H new ATOM 0 H4' G A 9 -0.040 -6.700 10.370 1.00 0.00 H new ATOM 0 H3' G A 9 -0.371 -4.329 8.504 1.00 0.00 H new ATOM 0 H2' G A 9 0.094 -2.828 10.390 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.109 -3.795 11.962 1.00 0.00 H new ATOM 0 H1' G A 9 2.125 -4.347 11.485 1.00 0.00 H new ATOM 0 H8 G A 9 3.146 -1.974 11.164 1.00 0.00 H new ATOM 0 H1 G A 9 4.070 -3.303 4.949 1.00 0.00 H new ATOM 0 H21 G A 9 2.031 -6.048 5.552 1.00 0.00 H new ATOM 0 H22 G A 9 2.997 -5.129 4.392 1.00 0.00 H new ATOM 288 P G A 10 -2.775 -3.737 9.814 1.00 0.00 P ATOM 289 OP1 G A 10 -2.199 -2.744 10.755 1.00 0.00 O ATOM 290 OP2 G A 10 -4.150 -4.251 10.041 1.00 0.00 O ATOM 291 O5' G A 10 -2.707 -3.127 8.344 1.00 0.00 O ATOM 292 C5' G A 10 -3.057 -1.768 8.098 1.00 0.00 C ATOM 293 C4' G A 10 -1.911 -0.860 8.478 1.00 0.00 C ATOM 294 O4' G A 10 -0.666 -1.582 8.286 1.00 0.00 O ATOM 295 C3' G A 10 -1.772 0.399 7.632 1.00 0.00 C ATOM 296 O3' G A 10 -2.558 1.463 8.161 1.00 0.00 O ATOM 297 C2' G A 10 -0.277 0.690 7.705 1.00 0.00 C ATOM 298 O2' G A 10 0.060 1.324 8.924 1.00 0.00 O ATOM 299 C1' G A 10 0.305 -0.724 7.716 1.00 0.00 C ATOM 300 N9 G A 10 0.638 -1.239 6.392 1.00 0.00 N ATOM 301 C8 G A 10 0.305 -2.468 5.880 1.00 0.00 C ATOM 302 N7 G A 10 0.743 -2.658 4.666 1.00 0.00 N ATOM 303 C5 G A 10 1.407 -1.479 4.354 1.00 0.00 C ATOM 304 C6 G A 10 2.089 -1.096 3.171 1.00 0.00 C ATOM 305 O6 G A 10 2.245 -1.742 2.130 1.00 0.00 O ATOM 306 N1 G A 10 2.620 0.185 3.278 1.00 0.00 N ATOM 307 C2 G A 10 2.508 0.995 4.382 1.00 0.00 C ATOM 308 N2 G A 10 3.089 2.200 4.292 1.00 0.00 N ATOM 309 N3 G A 10 1.873 0.651 5.491 1.00 0.00 N ATOM 310 C4 G A 10 1.351 -0.592 5.409 1.00 0.00 C ATOM 0 H5' G A 10 -3.946 -1.504 8.671 1.00 0.00 H new ATOM 0 H5'' G A 10 -3.305 -1.633 7.045 1.00 0.00 H new ATOM 0 H4' G A 10 -2.119 -0.563 9.506 1.00 0.00 H new ATOM 0 H3' G A 10 -2.127 0.282 6.608 1.00 0.00 H new ATOM 0 H2' G A 10 0.076 1.341 6.905 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.742 1.731 9.314 1.00 0.00 H new ATOM 0 H1' G A 10 1.235 -0.686 8.284 1.00 0.00 H new ATOM 0 H8 G A 10 -0.263 -3.205 6.428 1.00 0.00 H new ATOM 0 H1 G A 10 3.132 0.551 2.475 1.00 0.00 H new ATOM 0 H21 G A 10 3.042 2.849 5.078 1.00 0.00 H new ATOM 0 H22 G A 10 3.578 2.468 3.438 1.00 0.00 H new ATOM 322 P U A 11 -3.518 2.309 7.187 1.00 0.00 P ATOM 323 OP1 U A 11 -4.372 3.171 8.043 1.00 0.00 O ATOM 324 OP2 U A 11 -4.153 1.375 6.223 1.00 0.00 O ATOM 325 O5' U A 11 -2.513 3.251 6.387 1.00 0.00 O ATOM 326 C5' U A 11 -1.857 4.336 7.035 1.00 0.00 C ATOM 327 C4' U A 11 -0.874 4.984 6.091 1.00 0.00 C ATOM 328 O4' U A 11 0.118 3.995 5.704 1.00 0.00 O ATOM 329 C3' U A 11 -1.461 5.475 4.775 1.00 0.00 C ATOM 330 O3' U A 11 -1.984 6.794 4.895 1.00 0.00 O ATOM 331 C2' U A 11 -0.263 5.408 3.838 1.00 0.00 C ATOM 332 O2' U A 11 0.609 6.502 4.045 1.00 0.00 O ATOM 333 C1' U A 11 0.426 4.137 4.329 1.00 0.00 C ATOM 334 N1 U A 11 -0.011 2.920 3.630 1.00 0.00 N ATOM 335 C2 U A 11 0.485 2.696 2.360 1.00 0.00 C ATOM 336 O2 U A 11 1.248 3.467 1.804 1.00 0.00 O ATOM 337 N3 U A 11 0.052 1.537 1.764 1.00 0.00 N ATOM 338 C4 U A 11 -0.808 0.601 2.297 1.00 0.00 C ATOM 339 O4 U A 11 -1.106 -0.395 1.635 1.00 0.00 O ATOM 340 C5 U A 11 -1.280 0.909 3.610 1.00 0.00 C ATOM 341 C6 U A 11 -0.881 2.030 4.220 1.00 0.00 C ATOM 0 H5' U A 11 -1.338 3.979 7.924 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.592 5.069 7.368 1.00 0.00 H new ATOM 0 H4' U A 11 -0.488 5.842 6.641 1.00 0.00 H new ATOM 0 H3' U A 11 -2.308 4.886 4.424 1.00 0.00 H new ATOM 0 H2' U A 11 -0.537 5.422 2.783 1.00 0.00 H new ATOM 0 HO2' U A 11 0.139 7.206 4.539 1.00 0.00 H new ATOM 0 H1' U A 11 1.494 4.243 4.137 1.00 0.00 H new ATOM 0 H3 U A 11 0.405 1.349 0.826 1.00 0.00 H new ATOM 0 H5 U A 11 -1.960 0.235 4.110 1.00 0.00 H new ATOM 0 H6 U A 11 -1.254 2.245 5.210 1.00 0.00 H new ATOM 352 P A A 12 -3.211 7.255 3.963 1.00 0.00 P ATOM 353 OP1 A A 12 -3.660 8.584 4.450 1.00 0.00 O ATOM 354 OP2 A A 12 -4.185 6.137 3.880 1.00 0.00 O ATOM 355 O5' A A 12 -2.552 7.453 2.526 1.00 0.00 O ATOM 356 C5' A A 12 -1.622 8.506 2.288 1.00 0.00 C ATOM 357 C4' A A 12 -1.107 8.434 0.870 1.00 0.00 C ATOM 358 O4' A A 12 -0.448 7.154 0.670 1.00 0.00 O ATOM 359 C3' A A 12 -2.173 8.483 -0.216 1.00 0.00 C ATOM 360 O3' A A 12 -2.534 9.822 -0.539 1.00 0.00 O ATOM 361 C2' A A 12 -1.489 7.771 -1.375 1.00 0.00 C ATOM 362 O2' A A 12 -0.560 8.619 -2.021 1.00 0.00 O ATOM 363 C1' A A 12 -0.719 6.677 -0.636 1.00 0.00 C ATOM 364 N9 A A 12 -1.453 5.417 -0.526 1.00 0.00 N ATOM 365 C8 A A 12 -2.164 4.940 0.550 1.00 0.00 C ATOM 366 N7 A A 12 -2.712 3.768 0.342 1.00 0.00 N ATOM 367 C5 A A 12 -2.341 3.452 -0.957 1.00 0.00 C ATOM 368 C6 A A 12 -2.606 2.339 -1.772 1.00 0.00 C ATOM 369 N6 A A 12 -3.338 1.294 -1.380 1.00 0.00 N ATOM 370 N1 A A 12 -2.088 2.336 -3.019 1.00 0.00 N ATOM 371 C2 A A 12 -1.355 3.385 -3.412 1.00 0.00 C ATOM 372 N3 A A 12 -1.037 4.489 -2.739 1.00 0.00 N ATOM 373 C4 A A 12 -1.567 4.460 -1.504 1.00 0.00 C ATOM 0 H5' A A 12 -0.791 8.433 2.989 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.100 9.470 2.461 1.00 0.00 H new ATOM 0 H4' A A 12 -0.465 9.309 0.774 1.00 0.00 H new ATOM 0 H3' A A 12 -3.116 8.019 0.073 1.00 0.00 H new ATOM 0 H2' A A 12 -2.183 7.428 -2.143 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.722 9.547 -1.752 1.00 0.00 H new ATOM 0 H1' A A 12 0.185 6.465 -1.206 1.00 0.00 H new ATOM 0 H8 A A 12 -2.262 5.481 1.480 1.00 0.00 H new ATOM 0 H61 A A 12 -3.496 0.514 -2.018 1.00 0.00 H new ATOM 0 H62 A A 12 -3.739 1.276 -0.443 1.00 0.00 H new ATOM 0 H2 A A 12 -0.966 3.328 -4.418 1.00 0.00 H new ATOM 385 P C A 13 -3.981 10.128 -1.170 1.00 0.00 P ATOM 386 OP1 C A 13 -4.145 11.604 -1.204 1.00 0.00 O ATOM 387 OP2 C A 13 -4.987 9.294 -0.465 1.00 0.00 O ATOM 388 O5' C A 13 -3.868 9.611 -2.673 1.00 0.00 O ATOM 389 C5' C A 13 -3.074 10.309 -3.628 1.00 0.00 C ATOM 390 C4' C A 13 -3.159 9.628 -4.975 1.00 0.00 C ATOM 391 O4' C A 13 -2.635 8.278 -4.858 1.00 0.00 O ATOM 392 C3' C A 13 -4.564 9.434 -5.524 1.00 0.00 C ATOM 393 O3' C A 13 -5.035 10.593 -6.203 1.00 0.00 O ATOM 394 C2' C A 13 -4.385 8.252 -6.468 1.00 0.00 C ATOM 395 O2' C A 13 -3.797 8.656 -7.689 1.00 0.00 O ATOM 396 C1' C A 13 -3.372 7.406 -5.697 1.00 0.00 C ATOM 397 N1 C A 13 -3.993 6.369 -4.859 1.00 0.00 N ATOM 398 C2 C A 13 -4.268 5.121 -5.423 1.00 0.00 C ATOM 399 O2 C A 13 -3.992 4.930 -6.617 1.00 0.00 O ATOM 400 N3 C A 13 -4.826 4.157 -4.656 1.00 0.00 N ATOM 401 C4 C A 13 -5.109 4.405 -3.376 1.00 0.00 C ATOM 402 N4 C A 13 -5.657 3.423 -2.656 1.00 0.00 N ATOM 403 C5 C A 13 -4.844 5.670 -2.776 1.00 0.00 C ATOM 404 C6 C A 13 -4.295 6.616 -3.549 1.00 0.00 C ATOM 0 H5' C A 13 -2.037 10.343 -3.294 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.416 11.341 -3.712 1.00 0.00 H new ATOM 0 H4' C A 13 -2.606 10.290 -5.641 1.00 0.00 H new ATOM 0 H3' C A 13 -5.311 9.260 -4.750 1.00 0.00 H new ATOM 0 H2' C A 13 -5.322 7.757 -6.722 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.692 7.878 -8.275 1.00 0.00 H new ATOM 0 H1' C A 13 -2.746 6.892 -6.426 1.00 0.00 H new ATOM 0 H41 C A 13 -5.886 3.577 -1.674 1.00 0.00 H new ATOM 0 H42 C A 13 -5.846 2.518 -3.088 1.00 0.00 H new ATOM 0 H5 C A 13 -5.077 5.859 -1.738 1.00 0.00 H new ATOM 0 H6 C A 13 -4.088 7.590 -3.130 1.00 0.00 H new ATOM 416 P C A 14 -6.611 10.903 -6.250 1.00 0.00 P ATOM 417 OP1 C A 14 -6.789 12.192 -6.965 1.00 0.00 O ATOM 418 OP2 C A 14 -7.160 10.743 -4.879 1.00 0.00 O ATOM 419 O5' C A 14 -7.206 9.742 -7.165 1.00 0.00 O ATOM 420 C5' C A 14 -6.855 9.644 -8.542 1.00 0.00 C ATOM 421 C4' C A 14 -7.527 8.443 -9.166 1.00 0.00 C ATOM 422 O4' C A 14 -6.995 7.235 -8.566 1.00 0.00 O ATOM 423 C3' C A 14 -9.027 8.338 -8.934 1.00 0.00 C ATOM 424 O3' C A 14 -9.775 9.128 -9.861 1.00 0.00 O ATOM 425 C2' C A 14 -9.284 6.845 -9.106 1.00 0.00 C ATOM 426 O2' C A 14 -9.362 6.496 -10.474 1.00 0.00 O ATOM 427 C1' C A 14 -8.003 6.241 -8.525 1.00 0.00 C ATOM 428 N1 C A 14 -8.144 5.783 -7.134 1.00 0.00 N ATOM 429 C2 C A 14 -8.536 4.463 -6.894 1.00 0.00 C ATOM 430 O2 C A 14 -8.755 3.718 -7.861 1.00 0.00 O ATOM 431 N3 C A 14 -8.667 4.033 -5.618 1.00 0.00 N ATOM 432 C4 C A 14 -8.421 4.867 -4.605 1.00 0.00 C ATOM 433 N4 C A 14 -8.561 4.401 -3.362 1.00 0.00 N ATOM 434 C5 C A 14 -8.021 6.218 -4.821 1.00 0.00 C ATOM 435 C6 C A 14 -7.897 6.630 -6.089 1.00 0.00 C ATOM 0 H5' C A 14 -5.773 9.559 -8.644 1.00 0.00 H new ATOM 0 H5'' C A 14 -7.154 10.551 -9.067 1.00 0.00 H new ATOM 0 H4' C A 14 -7.337 8.560 -10.233 1.00 0.00 H new ATOM 0 H3' C A 14 -9.340 8.718 -7.962 1.00 0.00 H new ATOM 0 H2' C A 14 -10.213 6.515 -8.641 1.00 0.00 H new ATOM 0 HO2' C A 14 -9.531 7.300 -11.008 1.00 0.00 H new ATOM 0 HO3' C A 14 -10.732 9.030 -9.677 1.00 0.00 H new ATOM 0 H1' C A 14 -7.756 5.365 -9.124 1.00 0.00 H new ATOM 0 H41 C A 14 -8.381 5.012 -2.565 1.00 0.00 H new ATOM 0 H42 C A 14 -8.848 3.434 -3.209 1.00 0.00 H new ATOM 0 H5 C A 14 -7.825 6.884 -3.994 1.00 0.00 H new ATOM 0 H6 C A 14 -7.597 7.648 -6.290 1.00 0.00 H new TER 448 C A 14