USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 180 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 -25:sc= 0.395 USER MOD Single : A 1 G O5' : rot -37:sc= 0.215 USER MOD Single : A 2 C O2' : rot -21:sc= 0.253 USER MOD Single : A 3 A O2' : rot -21:sc= 0.275 USER MOD Single : A 4 G O2' : rot -15:sc= 0.509 USER MOD Single : A 5 U O2' : rot -15:sc= 0.105 USER MOD Single : A 6 G O2' : rot -32:sc= 0.191 USER MOD Single : A 7 G O2' : rot -76:sc= 1.15 USER MOD Single : A 8 C O2' : rot -16:sc= 0.148 USER MOD Single : A 8 C O3' : rot 180:sc= 0.185 USER MOD Single : B 101 G O2' : rot -104:sc= 1.06 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -24:sc= 0.0662 USER MOD Single : B 103 C O2' : rot -14:sc= 0.474 USER MOD Single : B 104 A O2' : rot -13:sc= 0.219 USER MOD Single : B 106 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -5.203 -14.003 -9.495 1.00 0.00 O ATOM 2 C5' G A 1 -5.564 -12.651 -9.294 1.00 0.00 C ATOM 3 C4' G A 1 -6.964 -12.686 -8.691 1.00 0.00 C ATOM 4 O4' G A 1 -6.982 -13.612 -7.607 1.00 0.00 O ATOM 5 C3' G A 1 -7.446 -11.333 -8.158 1.00 0.00 C ATOM 6 O3' G A 1 -8.162 -10.597 -9.141 1.00 0.00 O ATOM 7 C2' G A 1 -8.424 -11.837 -7.102 1.00 0.00 C ATOM 8 O2' G A 1 -9.609 -12.159 -7.804 1.00 0.00 O ATOM 9 C1' G A 1 -7.771 -13.095 -6.546 1.00 0.00 C ATOM 10 N9 G A 1 -6.911 -12.815 -5.368 1.00 0.00 N ATOM 11 C8 G A 1 -5.561 -12.557 -5.322 1.00 0.00 C ATOM 12 N7 G A 1 -5.068 -12.503 -4.116 1.00 0.00 N ATOM 13 C5 G A 1 -6.167 -12.719 -3.293 1.00 0.00 C ATOM 14 C6 G A 1 -6.239 -12.820 -1.864 1.00 0.00 C ATOM 15 O6 G A 1 -5.314 -12.764 -1.046 1.00 0.00 O ATOM 16 N1 G A 1 -7.539 -13.021 -1.413 1.00 0.00 N ATOM 17 C2 G A 1 -8.638 -13.115 -2.238 1.00 0.00 C ATOM 18 N2 G A 1 -9.841 -13.210 -1.687 1.00 0.00 N ATOM 19 N3 G A 1 -8.568 -13.110 -3.581 1.00 0.00 N ATOM 20 C4 G A 1 -7.304 -12.883 -4.050 1.00 0.00 C ATOM 0 H5' G A 1 -5.556 -12.099 -10.234 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.862 -12.153 -8.626 1.00 0.00 H new ATOM 0 H4' G A 1 -7.634 -12.977 -9.500 1.00 0.00 H new ATOM 0 H3' G A 1 -6.650 -10.666 -7.826 1.00 0.00 H new ATOM 0 H2' G A 1 -8.650 -11.133 -6.301 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.650 -11.638 -8.633 1.00 0.00 H new ATOM 0 HO5' G A 1 -5.546 -14.547 -8.755 1.00 0.00 H new ATOM 0 H1' G A 1 -8.532 -13.796 -6.202 1.00 0.00 H new ATOM 0 H8 G A 1 -4.961 -12.412 -6.208 1.00 0.00 H new ATOM 0 H1 G A 1 -7.688 -13.104 -0.407 1.00 0.00 H new ATOM 0 H21 G A 1 -10.669 -13.281 -2.279 1.00 0.00 H new ATOM 0 H22 G A 1 -9.938 -13.212 -0.672 1.00 0.00 H new ATOM 33 P C A 2 -8.468 -9.031 -8.986 1.00 0.00 P ATOM 34 OP1 C A 2 -9.521 -8.733 -9.964 1.00 0.00 O ATOM 35 OP2 C A 2 -7.178 -8.312 -9.069 1.00 0.00 O ATOM 36 O5' C A 2 -9.049 -8.813 -7.524 1.00 0.00 O ATOM 37 C5' C A 2 -10.413 -8.968 -7.175 1.00 0.00 C ATOM 38 C4' C A 2 -10.601 -8.824 -5.652 1.00 0.00 C ATOM 39 O4' C A 2 -9.929 -9.835 -4.879 1.00 0.00 O ATOM 40 C3' C A 2 -10.118 -7.487 -5.100 1.00 0.00 C ATOM 41 O3' C A 2 -11.067 -6.439 -5.118 1.00 0.00 O ATOM 42 C2' C A 2 -9.894 -7.880 -3.656 1.00 0.00 C ATOM 43 O2' C A 2 -11.148 -7.931 -2.991 1.00 0.00 O ATOM 44 C1' C A 2 -9.327 -9.278 -3.695 1.00 0.00 C ATOM 45 N1 C A 2 -7.825 -9.268 -3.730 1.00 0.00 N ATOM 46 C2 C A 2 -7.078 -9.325 -2.541 1.00 0.00 C ATOM 47 O2 C A 2 -7.610 -9.500 -1.442 1.00 0.00 O ATOM 48 N3 C A 2 -5.712 -9.210 -2.592 1.00 0.00 N ATOM 49 C4 C A 2 -5.094 -9.050 -3.773 1.00 0.00 C ATOM 50 N4 C A 2 -3.779 -8.911 -3.836 1.00 0.00 N ATOM 51 C5 C A 2 -5.819 -9.052 -4.995 1.00 0.00 C ATOM 52 C6 C A 2 -7.161 -9.144 -4.919 1.00 0.00 C ATOM 0 H5' C A 2 -10.769 -9.946 -7.500 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.014 -8.221 -7.694 1.00 0.00 H new ATOM 0 H4' C A 2 -11.682 -8.920 -5.546 1.00 0.00 H new ATOM 0 H3' C A 2 -9.281 -7.093 -5.677 1.00 0.00 H new ATOM 0 H2' C A 2 -9.238 -7.177 -3.143 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.803 -7.396 -3.486 1.00 0.00 H new ATOM 0 H1' C A 2 -9.550 -9.870 -2.807 1.00 0.00 H new ATOM 0 H41 C A 2 -3.322 -8.790 -4.740 1.00 0.00 H new ATOM 0 H42 C A 2 -3.223 -8.925 -2.981 1.00 0.00 H new ATOM 0 H5 C A 2 -5.314 -8.983 -5.947 1.00 0.00 H new ATOM 0 H6 C A 2 -7.735 -9.119 -5.833 1.00 0.00 H new ATOM 64 P A A 3 -10.612 -4.931 -4.908 1.00 0.00 P ATOM 65 OP1 A A 3 -11.855 -4.129 -4.900 1.00 0.00 O ATOM 66 OP2 A A 3 -9.588 -4.662 -5.937 1.00 0.00 O ATOM 67 O5' A A 3 -9.909 -4.867 -3.474 1.00 0.00 O ATOM 68 C5' A A 3 -10.674 -4.815 -2.285 1.00 0.00 C ATOM 69 C4' A A 3 -9.916 -5.227 -1.017 1.00 0.00 C ATOM 70 O4' A A 3 -9.046 -6.344 -1.158 1.00 0.00 O ATOM 71 C3' A A 3 -9.100 -4.106 -0.369 1.00 0.00 C ATOM 72 O3' A A 3 -9.867 -3.253 0.474 1.00 0.00 O ATOM 73 C2' A A 3 -8.128 -4.937 0.457 1.00 0.00 C ATOM 74 O2' A A 3 -8.815 -5.338 1.628 1.00 0.00 O ATOM 75 C1' A A 3 -7.843 -6.129 -0.441 1.00 0.00 C ATOM 76 N9 A A 3 -6.706 -5.850 -1.350 1.00 0.00 N ATOM 77 C8 A A 3 -6.702 -5.522 -2.683 1.00 0.00 C ATOM 78 N7 A A 3 -5.509 -5.394 -3.206 1.00 0.00 N ATOM 79 C5 A A 3 -4.661 -5.641 -2.130 1.00 0.00 C ATOM 80 C6 A A 3 -3.257 -5.672 -1.983 1.00 0.00 C ATOM 81 N6 A A 3 -2.423 -5.417 -2.990 1.00 0.00 N ATOM 82 N1 A A 3 -2.728 -5.987 -0.790 1.00 0.00 N ATOM 83 C2 A A 3 -3.551 -6.228 0.232 1.00 0.00 C ATOM 84 N3 A A 3 -4.881 -6.224 0.235 1.00 0.00 N ATOM 85 C4 A A 3 -5.382 -5.922 -0.994 1.00 0.00 C ATOM 0 H5' A A 3 -11.543 -5.463 -2.399 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.049 -3.800 -2.154 1.00 0.00 H new ATOM 0 H4' A A 3 -10.750 -5.504 -0.372 1.00 0.00 H new ATOM 0 H3' A A 3 -8.660 -3.417 -1.090 1.00 0.00 H new ATOM 0 H2' A A 3 -7.213 -4.427 0.757 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.574 -4.738 1.784 1.00 0.00 H new ATOM 0 H1' A A 3 -7.553 -7.013 0.128 1.00 0.00 H new ATOM 0 H8 A A 3 -7.608 -5.381 -3.253 1.00 0.00 H new ATOM 0 H61 A A 3 -1.415 -5.451 -2.838 1.00 0.00 H new ATOM 0 H62 A A 3 -2.793 -5.188 -3.913 1.00 0.00 H new ATOM 0 H2 A A 3 -3.078 -6.455 1.176 1.00 0.00 H new ATOM 97 P G A 4 -9.249 -1.893 1.043 1.00 0.00 P ATOM 98 OP1 G A 4 -10.268 -1.176 1.830 1.00 0.00 O ATOM 99 OP2 G A 4 -8.603 -1.190 -0.084 1.00 0.00 O ATOM 100 O5' G A 4 -8.081 -2.361 2.010 1.00 0.00 O ATOM 101 C5' G A 4 -8.262 -2.661 3.368 1.00 0.00 C ATOM 102 C4' G A 4 -7.022 -3.379 3.932 1.00 0.00 C ATOM 103 O4' G A 4 -6.361 -4.176 2.950 1.00 0.00 O ATOM 104 C3' G A 4 -5.971 -2.444 4.538 1.00 0.00 C ATOM 105 O3' G A 4 -6.142 -2.391 5.946 1.00 0.00 O ATOM 106 C2' G A 4 -4.679 -3.202 4.250 1.00 0.00 C ATOM 107 O2' G A 4 -4.492 -4.158 5.278 1.00 0.00 O ATOM 108 C1' G A 4 -4.963 -3.908 2.939 1.00 0.00 C ATOM 109 N9 G A 4 -4.496 -3.124 1.770 1.00 0.00 N ATOM 110 C8 G A 4 -5.211 -2.468 0.809 1.00 0.00 C ATOM 111 N7 G A 4 -4.518 -2.097 -0.234 1.00 0.00 N ATOM 112 C5 G A 4 -3.216 -2.445 0.107 1.00 0.00 C ATOM 113 C6 G A 4 -1.989 -2.242 -0.602 1.00 0.00 C ATOM 114 O6 G A 4 -1.826 -1.809 -1.749 1.00 0.00 O ATOM 115 N1 G A 4 -0.882 -2.561 0.177 1.00 0.00 N ATOM 116 C2 G A 4 -0.949 -3.077 1.455 1.00 0.00 C ATOM 117 N2 G A 4 0.168 -3.203 2.160 1.00 0.00 N ATOM 118 N3 G A 4 -2.092 -3.387 2.081 1.00 0.00 N ATOM 119 C4 G A 4 -3.192 -3.013 1.364 1.00 0.00 C ATOM 0 H5' G A 4 -9.143 -3.291 3.493 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.444 -1.744 3.928 1.00 0.00 H new ATOM 0 H4' G A 4 -7.436 -4.002 4.725 1.00 0.00 H new ATOM 0 H3' G A 4 -6.009 -1.426 4.150 1.00 0.00 H new ATOM 0 H2' G A 4 -3.793 -2.570 4.201 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.077 -3.944 6.034 1.00 0.00 H new ATOM 0 H1' G A 4 -4.408 -4.841 2.841 1.00 0.00 H new ATOM 0 H8 G A 4 -6.269 -2.271 0.904 1.00 0.00 H new ATOM 0 H1 G A 4 0.043 -2.403 -0.224 1.00 0.00 H new ATOM 0 H21 G A 4 0.134 -3.583 3.106 1.00 0.00 H new ATOM 0 H22 G A 4 1.061 -2.920 1.756 1.00 0.00 H new ATOM 131 P U A 5 -5.477 -1.269 6.840 1.00 0.00 P ATOM 132 OP1 U A 5 -5.510 -1.795 8.223 1.00 0.00 O ATOM 133 OP2 U A 5 -6.138 0.013 6.535 1.00 0.00 O ATOM 134 O5' U A 5 -3.942 -1.181 6.409 1.00 0.00 O ATOM 135 C5' U A 5 -2.942 -1.862 7.145 1.00 0.00 C ATOM 136 C4' U A 5 -1.533 -1.530 6.667 1.00 0.00 C ATOM 137 O4' U A 5 -1.319 -1.945 5.331 1.00 0.00 O ATOM 138 C3' U A 5 -1.216 -0.042 6.740 1.00 0.00 C ATOM 139 O3' U A 5 -0.841 0.317 8.049 1.00 0.00 O ATOM 140 C2' U A 5 -0.047 0.040 5.765 1.00 0.00 C ATOM 141 O2' U A 5 1.193 -0.319 6.366 1.00 0.00 O ATOM 142 C1' U A 5 -0.434 -1.010 4.719 1.00 0.00 C ATOM 143 N1 U A 5 -1.049 -0.362 3.535 1.00 0.00 N ATOM 144 C2 U A 5 -0.173 0.058 2.535 1.00 0.00 C ATOM 145 O2 U A 5 1.052 0.061 2.680 1.00 0.00 O ATOM 146 N3 U A 5 -0.763 0.497 1.366 1.00 0.00 N ATOM 147 C4 U A 5 -2.109 0.719 1.157 1.00 0.00 C ATOM 148 O4 U A 5 -2.508 1.123 0.065 1.00 0.00 O ATOM 149 C5 U A 5 -2.935 0.409 2.306 1.00 0.00 C ATOM 150 C6 U A 5 -2.405 -0.145 3.427 1.00 0.00 C ATOM 0 H5' U A 5 -3.105 -2.937 7.064 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.034 -1.604 8.200 1.00 0.00 H new ATOM 0 H4' U A 5 -0.875 -2.073 7.346 1.00 0.00 H new ATOM 0 H3' U A 5 -2.042 0.627 6.498 1.00 0.00 H new ATOM 0 H2' U A 5 0.104 1.048 5.380 1.00 0.00 H new ATOM 0 HO2' U A 5 1.095 -0.322 7.341 1.00 0.00 H new ATOM 0 H1' U A 5 0.451 -1.538 4.364 1.00 0.00 H new ATOM 0 H3 U A 5 -0.141 0.675 0.577 1.00 0.00 H new ATOM 0 H5 U A 5 -3.993 0.623 2.270 1.00 0.00 H new ATOM 0 H6 U A 5 -3.055 -0.419 4.245 1.00 0.00 H new ATOM 161 P G A 6 -0.762 1.819 8.516 1.00 0.00 P ATOM 162 OP1 G A 6 -0.025 1.718 9.788 1.00 0.00 O ATOM 163 OP2 G A 6 -2.135 2.362 8.558 1.00 0.00 O ATOM 164 O5' G A 6 0.139 2.611 7.472 1.00 0.00 O ATOM 165 C5' G A 6 1.540 2.679 7.666 1.00 0.00 C ATOM 166 C4' G A 6 2.273 3.372 6.527 1.00 0.00 C ATOM 167 O4' G A 6 2.112 2.681 5.294 1.00 0.00 O ATOM 168 C3' G A 6 1.755 4.777 6.253 1.00 0.00 C ATOM 169 O3' G A 6 2.185 5.740 7.203 1.00 0.00 O ATOM 170 C2' G A 6 2.405 5.001 4.893 1.00 0.00 C ATOM 171 O2' G A 6 3.767 5.335 5.101 1.00 0.00 O ATOM 172 C1' G A 6 2.243 3.632 4.238 1.00 0.00 C ATOM 173 N9 G A 6 1.077 3.636 3.320 1.00 0.00 N ATOM 174 C8 G A 6 -0.237 3.283 3.540 1.00 0.00 C ATOM 175 N7 G A 6 -1.017 3.458 2.510 1.00 0.00 N ATOM 176 C5 G A 6 -0.161 3.945 1.527 1.00 0.00 C ATOM 177 C6 G A 6 -0.438 4.312 0.174 1.00 0.00 C ATOM 178 O6 G A 6 -1.515 4.270 -0.417 1.00 0.00 O ATOM 179 N1 G A 6 0.682 4.776 -0.503 1.00 0.00 N ATOM 180 C2 G A 6 1.932 4.875 0.057 1.00 0.00 C ATOM 181 N2 G A 6 2.921 5.354 -0.695 1.00 0.00 N ATOM 182 N3 G A 6 2.215 4.538 1.331 1.00 0.00 N ATOM 183 C4 G A 6 1.119 4.073 2.014 1.00 0.00 C ATOM 0 H5' G A 6 1.933 1.669 7.780 1.00 0.00 H new ATOM 0 H5'' G A 6 1.746 3.208 8.596 1.00 0.00 H new ATOM 0 H4' G A 6 3.311 3.392 6.858 1.00 0.00 H new ATOM 0 H3' G A 6 0.670 4.876 6.297 1.00 0.00 H new ATOM 0 H2' G A 6 1.981 5.802 4.288 1.00 0.00 H new ATOM 0 HO2' G A 6 3.858 5.828 5.943 1.00 0.00 H new ATOM 0 H1' G A 6 3.104 3.371 3.623 1.00 0.00 H new ATOM 0 H8 G A 6 -0.590 2.895 4.484 1.00 0.00 H new ATOM 0 H1 G A 6 0.569 5.061 -1.476 1.00 0.00 H new ATOM 0 H21 G A 6 3.861 5.440 -0.308 1.00 0.00 H new ATOM 0 H22 G A 6 2.739 5.635 -1.658 1.00 0.00 H new ATOM 195 P G A 7 1.482 7.164 7.237 1.00 0.00 P ATOM 196 OP1 G A 7 2.084 7.958 8.329 1.00 0.00 O ATOM 197 OP2 G A 7 0.026 6.958 7.242 1.00 0.00 O ATOM 198 O5' G A 7 1.900 7.792 5.841 1.00 0.00 O ATOM 199 C5' G A 7 2.996 8.669 5.776 1.00 0.00 C ATOM 200 C4' G A 7 3.431 9.066 4.370 1.00 0.00 C ATOM 201 O4' G A 7 3.333 8.015 3.425 1.00 0.00 O ATOM 202 C3' G A 7 2.615 10.234 3.838 1.00 0.00 C ATOM 203 O3' G A 7 3.104 11.473 4.327 1.00 0.00 O ATOM 204 C2' G A 7 2.723 10.066 2.337 1.00 0.00 C ATOM 205 O2' G A 7 3.877 10.708 1.821 1.00 0.00 O ATOM 206 C1' G A 7 2.813 8.542 2.210 1.00 0.00 C ATOM 207 N9 G A 7 1.468 8.004 1.951 1.00 0.00 N ATOM 208 C8 G A 7 0.547 7.517 2.833 1.00 0.00 C ATOM 209 N7 G A 7 -0.609 7.246 2.288 1.00 0.00 N ATOM 210 C5 G A 7 -0.444 7.574 0.944 1.00 0.00 C ATOM 211 C6 G A 7 -1.354 7.527 -0.169 1.00 0.00 C ATOM 212 O6 G A 7 -2.542 7.209 -0.201 1.00 0.00 O ATOM 213 N1 G A 7 -0.756 7.927 -1.356 1.00 0.00 N ATOM 214 C2 G A 7 0.549 8.331 -1.471 1.00 0.00 C ATOM 215 N2 G A 7 0.986 8.783 -2.633 1.00 0.00 N ATOM 216 N3 G A 7 1.393 8.444 -0.438 1.00 0.00 N ATOM 217 C4 G A 7 0.841 8.021 0.734 1.00 0.00 C ATOM 0 H5' G A 7 3.842 8.205 6.283 1.00 0.00 H new ATOM 0 H5'' G A 7 2.749 9.574 6.331 1.00 0.00 H new ATOM 0 H4' G A 7 4.480 9.342 4.481 1.00 0.00 H new ATOM 0 H3' G A 7 1.574 10.240 4.162 1.00 0.00 H new ATOM 0 H2' G A 7 1.899 10.509 1.777 1.00 0.00 H new ATOM 0 HO2' G A 7 3.724 11.675 1.784 1.00 0.00 H new ATOM 0 H1' G A 7 3.470 8.262 1.387 1.00 0.00 H new ATOM 0 H8 G A 7 0.754 7.370 3.883 1.00 0.00 H new ATOM 0 H1 G A 7 -1.327 7.920 -2.201 1.00 0.00 H new ATOM 0 H21 G A 7 1.955 9.086 -2.730 1.00 0.00 H new ATOM 0 H22 G A 7 0.354 8.829 -3.433 1.00 0.00 H new ATOM 229 P C A 8 2.550 12.876 3.822 1.00 0.00 P ATOM 230 OP1 C A 8 3.337 13.215 2.622 1.00 0.00 O ATOM 231 OP2 C A 8 2.602 13.801 4.970 1.00 0.00 O ATOM 232 O5' C A 8 1.031 12.683 3.388 1.00 0.00 O ATOM 233 C5' C A 8 0.557 13.287 2.194 1.00 0.00 C ATOM 234 C4' C A 8 -0.962 13.211 2.031 1.00 0.00 C ATOM 235 O4' C A 8 -1.433 11.907 1.735 1.00 0.00 O ATOM 236 C3' C A 8 -1.693 13.668 3.293 1.00 0.00 C ATOM 237 O3' C A 8 -1.854 15.072 3.378 1.00 0.00 O ATOM 238 C2' C A 8 -3.037 12.970 3.160 1.00 0.00 C ATOM 239 O2' C A 8 -3.953 13.715 2.374 1.00 0.00 O ATOM 240 C1' C A 8 -2.652 11.673 2.443 1.00 0.00 C ATOM 241 N1 C A 8 -2.514 10.558 3.417 1.00 0.00 N ATOM 242 C2 C A 8 -3.677 9.914 3.848 1.00 0.00 C ATOM 243 O2 C A 8 -4.798 10.332 3.547 1.00 0.00 O ATOM 244 N3 C A 8 -3.591 8.846 4.682 1.00 0.00 N ATOM 245 C4 C A 8 -2.393 8.430 5.105 1.00 0.00 C ATOM 246 N4 C A 8 -2.363 7.323 5.825 1.00 0.00 N ATOM 247 C5 C A 8 -1.198 9.170 4.821 1.00 0.00 C ATOM 248 C6 C A 8 -1.297 10.194 3.941 1.00 0.00 C ATOM 0 H5' C A 8 1.030 12.804 1.339 1.00 0.00 H new ATOM 0 H5'' C A 8 0.864 14.333 2.179 1.00 0.00 H new ATOM 0 H4' C A 8 -1.174 13.873 1.192 1.00 0.00 H new ATOM 0 H3' C A 8 -1.141 13.420 4.200 1.00 0.00 H new ATOM 0 H2' C A 8 -3.539 12.829 4.117 1.00 0.00 H new ATOM 0 HO2' C A 8 -3.633 14.637 2.284 1.00 0.00 H new ATOM 0 HO3' C A 8 -2.329 15.297 4.205 1.00 0.00 H new ATOM 0 H1' C A 8 -3.431 11.380 1.739 1.00 0.00 H new ATOM 0 H41 C A 8 -1.473 6.964 6.172 1.00 0.00 H new ATOM 0 H42 C A 8 -3.229 6.827 6.034 1.00 0.00 H new ATOM 0 H5 C A 8 -0.258 8.921 5.290 1.00 0.00 H new ATOM 0 H6 C A 8 -0.408 10.732 3.647 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.504 12.652 -5.817 1.00 0.00 O ATOM 263 C5' G B 101 -8.853 11.444 -6.182 1.00 0.00 C ATOM 264 C4' G B 101 -7.374 11.682 -6.507 1.00 0.00 C ATOM 265 O4' G B 101 -6.716 12.193 -5.363 1.00 0.00 O ATOM 266 C3' G B 101 -6.665 10.395 -6.941 1.00 0.00 C ATOM 267 O3' G B 101 -6.621 10.334 -8.361 1.00 0.00 O ATOM 268 C2' G B 101 -5.275 10.567 -6.339 1.00 0.00 C ATOM 269 O2' G B 101 -4.413 11.160 -7.288 1.00 0.00 O ATOM 270 C1' G B 101 -5.487 11.511 -5.160 1.00 0.00 C ATOM 271 N9 G B 101 -5.477 10.799 -3.862 1.00 0.00 N ATOM 272 C8 G B 101 -6.500 10.183 -3.184 1.00 0.00 C ATOM 273 N7 G B 101 -6.183 9.789 -1.980 1.00 0.00 N ATOM 274 C5 G B 101 -4.858 10.187 -1.840 1.00 0.00 C ATOM 275 C6 G B 101 -3.987 10.117 -0.705 1.00 0.00 C ATOM 276 O6 G B 101 -4.253 9.715 0.429 1.00 0.00 O ATOM 277 N1 G B 101 -2.710 10.604 -0.972 1.00 0.00 N ATOM 278 C2 G B 101 -2.315 11.058 -2.218 1.00 0.00 C ATOM 279 N2 G B 101 -1.027 11.286 -2.458 1.00 0.00 N ATOM 280 N3 G B 101 -3.137 11.184 -3.267 1.00 0.00 N ATOM 281 C4 G B 101 -4.400 10.741 -3.013 1.00 0.00 C ATOM 0 H5' G B 101 -9.352 11.007 -7.047 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.937 10.723 -5.368 1.00 0.00 H new ATOM 0 H4' G B 101 -7.332 12.392 -7.333 1.00 0.00 H new ATOM 0 H3' G B 101 -7.151 9.475 -6.617 1.00 0.00 H new ATOM 0 H2' G B 101 -4.825 9.621 -6.039 1.00 0.00 H new ATOM 0 HO2' G B 101 -3.819 10.477 -7.662 1.00 0.00 H new ATOM 0 HO5' G B 101 -10.446 12.469 -5.617 1.00 0.00 H new ATOM 0 H1' G B 101 -4.662 12.222 -5.115 1.00 0.00 H new ATOM 0 H8 G B 101 -7.482 10.037 -3.610 1.00 0.00 H new ATOM 0 H1 G B 101 -2.032 10.627 -0.211 1.00 0.00 H new ATOM 0 H21 G B 101 -0.731 11.621 -3.375 1.00 0.00 H new ATOM 0 H22 G B 101 -0.336 11.126 -1.725 1.00 0.00 H new ATOM 294 P C B 102 -6.296 8.984 -9.133 1.00 0.00 P ATOM 295 OP1 C B 102 -6.534 9.268 -10.564 1.00 0.00 O ATOM 296 OP2 C B 102 -7.075 7.920 -8.474 1.00 0.00 O ATOM 297 O5' C B 102 -4.719 8.787 -8.901 1.00 0.00 O ATOM 298 C5' C B 102 -3.795 8.767 -9.987 1.00 0.00 C ATOM 299 C4' C B 102 -2.331 8.951 -9.556 1.00 0.00 C ATOM 300 O4' C B 102 -2.278 9.770 -8.396 1.00 0.00 O ATOM 301 C3' C B 102 -1.506 7.699 -9.255 1.00 0.00 C ATOM 302 O3' C B 102 -0.875 7.179 -10.413 1.00 0.00 O ATOM 303 C2' C B 102 -0.487 8.283 -8.270 1.00 0.00 C ATOM 304 O2' C B 102 0.481 9.089 -8.944 1.00 0.00 O ATOM 305 C1' C B 102 -1.370 9.218 -7.447 1.00 0.00 C ATOM 306 N1 C B 102 -2.032 8.548 -6.276 1.00 0.00 N ATOM 307 C2 C B 102 -1.507 8.803 -5.005 1.00 0.00 C ATOM 308 O2 C B 102 -0.515 9.523 -4.841 1.00 0.00 O ATOM 309 N3 C B 102 -2.093 8.259 -3.902 1.00 0.00 N ATOM 310 C4 C B 102 -3.205 7.520 -4.009 1.00 0.00 C ATOM 311 N4 C B 102 -3.766 7.066 -2.895 1.00 0.00 N ATOM 312 C5 C B 102 -3.781 7.248 -5.291 1.00 0.00 C ATOM 313 C6 C B 102 -3.149 7.743 -6.385 1.00 0.00 C ATOM 0 H5' C B 102 -4.059 9.556 -10.692 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.892 7.820 -10.518 1.00 0.00 H new ATOM 0 H4' C B 102 -1.876 9.390 -10.444 1.00 0.00 H new ATOM 0 H3' C B 102 -2.084 6.855 -8.879 1.00 0.00 H new ATOM 0 H2' C B 102 0.057 7.518 -7.716 1.00 0.00 H new ATOM 0 HO2' C B 102 0.548 8.806 -9.880 1.00 0.00 H new ATOM 0 H1' C B 102 -0.790 9.997 -6.952 1.00 0.00 H new ATOM 0 H41 C B 102 -4.613 6.501 -2.945 1.00 0.00 H new ATOM 0 H42 C B 102 -3.350 7.283 -1.989 1.00 0.00 H new ATOM 0 H5 C B 102 -4.688 6.669 -5.384 1.00 0.00 H new ATOM 0 H6 C B 102 -3.529 7.501 -7.366 1.00 0.00 H new ATOM 325 P C B 103 -0.282 5.690 -10.431 1.00 0.00 P ATOM 326 OP1 C B 103 0.251 5.474 -11.795 1.00 0.00 O ATOM 327 OP2 C B 103 -1.336 4.784 -9.947 1.00 0.00 O ATOM 328 O5' C B 103 0.935 5.612 -9.408 1.00 0.00 O ATOM 329 C5' C B 103 2.265 5.898 -9.796 1.00 0.00 C ATOM 330 C4' C B 103 3.200 5.941 -8.582 1.00 0.00 C ATOM 331 O4' C B 103 2.645 6.780 -7.571 1.00 0.00 O ATOM 332 C3' C B 103 3.523 4.575 -7.951 1.00 0.00 C ATOM 333 O3' C B 103 4.702 4.019 -8.542 1.00 0.00 O ATOM 334 C2' C B 103 3.841 5.036 -6.525 1.00 0.00 C ATOM 335 O2' C B 103 5.197 5.427 -6.488 1.00 0.00 O ATOM 336 C1' C B 103 2.941 6.247 -6.284 1.00 0.00 C ATOM 337 N1 C B 103 1.731 5.887 -5.484 1.00 0.00 N ATOM 338 C2 C B 103 1.830 5.948 -4.087 1.00 0.00 C ATOM 339 O2 C B 103 2.863 6.351 -3.531 1.00 0.00 O ATOM 340 N3 C B 103 0.759 5.586 -3.321 1.00 0.00 N ATOM 341 C4 C B 103 -0.384 5.193 -3.903 1.00 0.00 C ATOM 342 N4 C B 103 -1.400 4.853 -3.131 1.00 0.00 N ATOM 343 C5 C B 103 -0.533 5.173 -5.325 1.00 0.00 C ATOM 344 C6 C B 103 0.542 5.518 -6.074 1.00 0.00 C ATOM 0 H5' C B 103 2.297 6.855 -10.317 1.00 0.00 H new ATOM 0 H5'' C B 103 2.612 5.141 -10.499 1.00 0.00 H new ATOM 0 H4' C B 103 4.140 6.331 -8.972 1.00 0.00 H new ATOM 0 H3' C B 103 2.746 3.818 -8.053 1.00 0.00 H new ATOM 0 H2' C B 103 3.676 4.263 -5.774 1.00 0.00 H new ATOM 0 HO2' C B 103 5.652 5.107 -7.295 1.00 0.00 H new ATOM 0 H1' C B 103 3.435 7.007 -5.678 1.00 0.00 H new ATOM 0 H41 C B 103 -2.280 4.551 -3.550 1.00 0.00 H new ATOM 0 H42 C B 103 -1.305 4.893 -2.116 1.00 0.00 H new ATOM 0 H5 C B 103 -1.469 4.893 -5.785 1.00 0.00 H new ATOM 0 H6 C B 103 0.466 5.504 -7.151 1.00 0.00 H new ATOM 356 P A B 104 5.143 2.486 -8.378 1.00 0.00 P ATOM 357 OP1 A B 104 6.431 2.348 -9.090 1.00 0.00 O ATOM 358 OP2 A B 104 4.024 1.584 -8.728 1.00 0.00 O ATOM 359 O5' A B 104 5.453 2.302 -6.826 1.00 0.00 O ATOM 360 C5' A B 104 6.765 2.488 -6.328 1.00 0.00 C ATOM 361 C4' A B 104 6.838 2.393 -4.806 1.00 0.00 C ATOM 362 O4' A B 104 5.855 3.223 -4.210 1.00 0.00 O ATOM 363 C3' A B 104 6.697 0.983 -4.245 1.00 0.00 C ATOM 364 O3' A B 104 7.984 0.387 -4.222 1.00 0.00 O ATOM 365 C2' A B 104 6.188 1.319 -2.842 1.00 0.00 C ATOM 366 O2' A B 104 7.264 1.581 -1.956 1.00 0.00 O ATOM 367 C1' A B 104 5.358 2.581 -3.047 1.00 0.00 C ATOM 368 N9 A B 104 3.926 2.251 -3.184 1.00 0.00 N ATOM 369 C8 A B 104 3.126 2.159 -4.296 1.00 0.00 C ATOM 370 N7 A B 104 1.862 1.965 -4.027 1.00 0.00 N ATOM 371 C5 A B 104 1.850 1.823 -2.640 1.00 0.00 C ATOM 372 C6 A B 104 0.837 1.603 -1.684 1.00 0.00 C ATOM 373 N6 A B 104 -0.456 1.537 -1.984 1.00 0.00 N ATOM 374 N1 A B 104 1.182 1.496 -0.395 1.00 0.00 N ATOM 375 C2 A B 104 2.462 1.578 -0.043 1.00 0.00 C ATOM 376 N3 A B 104 3.505 1.818 -0.828 1.00 0.00 N ATOM 377 C4 A B 104 3.121 1.925 -2.129 1.00 0.00 C ATOM 0 H5' A B 104 7.134 3.463 -6.645 1.00 0.00 H new ATOM 0 H5'' A B 104 7.425 1.739 -6.766 1.00 0.00 H new ATOM 0 H4' A B 104 7.844 2.728 -4.554 1.00 0.00 H new ATOM 0 H3' A B 104 6.057 0.287 -4.788 1.00 0.00 H new ATOM 0 H2' A B 104 5.622 0.499 -2.400 1.00 0.00 H new ATOM 0 HO2' A B 104 8.105 1.292 -2.368 1.00 0.00 H new ATOM 0 H1' A B 104 5.441 3.244 -2.186 1.00 0.00 H new ATOM 0 H8 A B 104 3.507 2.240 -5.303 1.00 0.00 H new ATOM 0 H61 A B 104 -1.143 1.375 -1.247 1.00 0.00 H new ATOM 0 H62 A B 104 -0.761 1.648 -2.951 1.00 0.00 H new ATOM 0 H2 A B 104 2.678 1.432 1.005 1.00 0.00 H new ATOM 389 P DC B 105 8.217 -1.163 -4.027 1.00 0.00 P ATOM 390 OP1 DC B 105 9.668 -1.306 -3.793 1.00 0.00 O ATOM 391 OP2 DC B 105 7.594 -1.913 -5.132 1.00 0.00 O ATOM 392 O5' DC B 105 7.461 -1.549 -2.687 1.00 0.00 O ATOM 393 C5' DC B 105 8.145 -1.625 -1.454 1.00 0.00 C ATOM 394 C4' DC B 105 7.175 -1.782 -0.286 1.00 0.00 C ATOM 395 O4' DC B 105 6.075 -0.899 -0.406 1.00 0.00 O ATOM 396 C3' DC B 105 6.626 -3.198 -0.113 1.00 0.00 C ATOM 397 O3' DC B 105 7.549 -4.021 0.586 1.00 0.00 O ATOM 398 C2' DC B 105 5.409 -2.849 0.733 1.00 0.00 C ATOM 399 C1' DC B 105 4.922 -1.528 0.139 1.00 0.00 C ATOM 400 N1 DC B 105 3.854 -1.729 -0.883 1.00 0.00 N ATOM 401 C2 DC B 105 2.558 -1.956 -0.418 1.00 0.00 C ATOM 402 O2 DC B 105 2.333 -2.207 0.765 1.00 0.00 O ATOM 403 N3 DC B 105 1.520 -1.931 -1.292 1.00 0.00 N ATOM 404 C4 DC B 105 1.731 -1.710 -2.591 1.00 0.00 C ATOM 405 N4 DC B 105 0.670 -1.604 -3.370 1.00 0.00 N ATOM 406 C5 DC B 105 3.057 -1.578 -3.121 1.00 0.00 C ATOM 407 C6 DC B 105 4.086 -1.607 -2.233 1.00 0.00 C ATOM 0 H5' DC B 105 8.744 -0.725 -1.313 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.836 -2.468 -1.471 1.00 0.00 H new ATOM 0 H4' DC B 105 7.773 -1.543 0.594 1.00 0.00 H new ATOM 0 H3' DC B 105 6.422 -3.760 -1.024 1.00 0.00 H new ATOM 0 H2' DC B 105 4.643 -3.622 0.671 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.670 -2.743 1.786 1.00 0.00 H new ATOM 0 H1' DC B 105 4.458 -0.903 0.902 1.00 0.00 H new ATOM 0 H41 DC B 105 0.786 -1.435 -4.369 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.265 -1.691 -2.972 1.00 0.00 H new ATOM 0 H5 DC B 105 3.231 -1.461 -4.180 1.00 0.00 H new ATOM 0 H6 DC B 105 5.101 -1.533 -2.593 1.00 0.00 H new ATOM 419 P DT B 106 7.370 -5.613 0.731 1.00 0.00 P ATOM 420 OP1 DT B 106 8.486 -6.043 1.594 1.00 0.00 O ATOM 421 OP2 DT B 106 7.277 -6.206 -0.618 1.00 0.00 O ATOM 422 O5' DT B 106 6.003 -5.860 1.504 1.00 0.00 O ATOM 423 C5' DT B 106 5.907 -5.620 2.899 1.00 0.00 C ATOM 424 C4' DT B 106 4.469 -5.808 3.385 1.00 0.00 C ATOM 425 O4' DT B 106 3.591 -5.014 2.605 1.00 0.00 O ATOM 426 C3' DT B 106 3.973 -7.251 3.271 1.00 0.00 C ATOM 427 O3' DT B 106 4.251 -7.946 4.478 1.00 0.00 O ATOM 428 C2' DT B 106 2.477 -7.029 3.110 1.00 0.00 C ATOM 429 C1' DT B 106 2.338 -5.670 2.459 1.00 0.00 C ATOM 430 N1 DT B 106 1.903 -5.797 1.046 1.00 0.00 N ATOM 431 C2 DT B 106 0.547 -6.022 0.791 1.00 0.00 C ATOM 432 O2 DT B 106 -0.264 -6.318 1.673 1.00 0.00 O ATOM 433 N3 DT B 106 0.148 -5.906 -0.525 1.00 0.00 N ATOM 434 C4 DT B 106 0.968 -5.625 -1.603 1.00 0.00 C ATOM 435 O4 DT B 106 0.493 -5.606 -2.739 1.00 0.00 O ATOM 436 C5 DT B 106 2.379 -5.472 -1.261 1.00 0.00 C ATOM 437 C7 DT B 106 3.398 -5.161 -2.338 1.00 0.00 C ATOM 438 C6 DT B 106 2.794 -5.600 0.023 1.00 0.00 C ATOM 0 H5' DT B 106 6.241 -4.607 3.122 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.569 -6.300 3.436 1.00 0.00 H new ATOM 0 H4' DT B 106 4.473 -5.518 4.436 1.00 0.00 H new ATOM 0 H3' DT B 106 4.426 -7.837 2.471 1.00 0.00 H new ATOM 0 H2' DT B 106 2.029 -7.808 2.493 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.970 -7.056 4.075 1.00 0.00 H new ATOM 0 H1' DT B 106 1.561 -5.074 2.938 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.844 -6.040 -0.721 1.00 0.00 H new ATOM 0 H71 DT B 106 4.216 -4.582 -1.909 1.00 0.00 H new ATOM 0 H72 DT B 106 3.789 -6.092 -2.749 1.00 0.00 H new ATOM 0 H73 DT B 106 2.924 -4.585 -3.132 1.00 0.00 H new ATOM 0 H6 DT B 106 3.850 -5.546 0.245 1.00 0.00 H new ATOM 451 P DG B 107 3.888 -9.483 4.714 1.00 0.00 P ATOM 452 OP1 DG B 107 4.396 -9.834 6.049 1.00 0.00 O ATOM 453 OP2 DG B 107 4.322 -10.291 3.559 1.00 0.00 O ATOM 454 O5' DG B 107 2.302 -9.567 4.810 1.00 0.00 O ATOM 455 C5' DG B 107 1.619 -8.990 5.914 1.00 0.00 C ATOM 456 C4' DG B 107 0.105 -9.157 5.816 1.00 0.00 C ATOM 457 O4' DG B 107 -0.347 -8.634 4.574 1.00 0.00 O ATOM 458 C3' DG B 107 -0.307 -10.630 5.891 1.00 0.00 C ATOM 459 O3' DG B 107 -1.483 -10.763 6.668 1.00 0.00 O ATOM 460 C2' DG B 107 -0.584 -10.949 4.436 1.00 0.00 C ATOM 461 C1' DG B 107 -1.122 -9.625 3.917 1.00 0.00 C ATOM 462 N9 DG B 107 -0.976 -9.552 2.451 1.00 0.00 N ATOM 463 C8 DG B 107 0.182 -9.678 1.733 1.00 0.00 C ATOM 464 N7 DG B 107 0.029 -9.614 0.441 1.00 0.00 N ATOM 465 C5 DG B 107 -1.349 -9.494 0.289 1.00 0.00 C ATOM 466 C6 DG B 107 -2.130 -9.468 -0.907 1.00 0.00 C ATOM 467 O6 DG B 107 -1.733 -9.502 -2.072 1.00 0.00 O ATOM 468 N1 DG B 107 -3.497 -9.443 -0.659 1.00 0.00 N ATOM 469 C2 DG B 107 -4.051 -9.419 0.598 1.00 0.00 C ATOM 470 N2 DG B 107 -5.378 -9.436 0.682 1.00 0.00 N ATOM 471 N3 DG B 107 -3.334 -9.461 1.733 1.00 0.00 N ATOM 472 C4 DG B 107 -1.983 -9.485 1.512 1.00 0.00 C ATOM 0 H5' DG B 107 1.861 -7.929 5.973 1.00 0.00 H new ATOM 0 H5'' DG B 107 1.973 -9.449 6.837 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.341 -8.623 6.655 1.00 0.00 H new ATOM 0 H3' DG B 107 0.434 -11.285 6.350 1.00 0.00 H new ATOM 0 H2' DG B 107 0.318 -11.258 3.908 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.310 -11.755 4.326 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.185 -9.494 4.119 1.00 0.00 H new ATOM 0 H8 DG B 107 1.146 -9.819 2.200 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.128 -9.442 -1.460 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.831 -9.419 1.596 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.942 -9.466 -0.167 1.00 0.00 H new ATOM 484 P DC B 108 -1.424 -11.086 8.230 1.00 0.00 P ATOM 485 OP1 DC B 108 -2.324 -10.142 8.929 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.017 -11.149 8.656 1.00 0.00 O ATOM 487 O5' DC B 108 -2.037 -12.551 8.369 1.00 0.00 O ATOM 488 C5' DC B 108 -1.857 -13.509 7.345 1.00 0.00 C ATOM 489 C4' DC B 108 -2.846 -14.676 7.452 1.00 0.00 C ATOM 490 O4' DC B 108 -3.750 -14.581 6.353 1.00 0.00 O ATOM 491 C3' DC B 108 -2.188 -16.056 7.337 1.00 0.00 C ATOM 492 O3' DC B 108 -2.997 -17.078 7.900 1.00 0.00 O ATOM 493 C2' DC B 108 -2.148 -16.250 5.833 1.00 0.00 C ATOM 494 C1' DC B 108 -3.484 -15.632 5.422 1.00 0.00 C ATOM 495 N1 DC B 108 -3.434 -15.190 4.003 1.00 0.00 N ATOM 496 C2 DC B 108 -3.910 -16.056 3.021 1.00 0.00 C ATOM 497 O2 DC B 108 -4.520 -17.096 3.292 1.00 0.00 O ATOM 498 N3 DC B 108 -3.603 -15.810 1.713 1.00 0.00 N ATOM 499 C4 DC B 108 -2.861 -14.748 1.378 1.00 0.00 C ATOM 500 N4 DC B 108 -2.495 -14.659 0.110 1.00 0.00 N ATOM 501 C5 DC B 108 -2.387 -13.814 2.357 1.00 0.00 C ATOM 502 C6 DC B 108 -2.722 -14.076 3.650 1.00 0.00 C ATOM 0 H5' DC B 108 -0.839 -13.895 7.388 1.00 0.00 H new ATOM 0 H5'' DC B 108 -1.974 -13.026 6.375 1.00 0.00 H new ATOM 0 H4' DC B 108 -3.317 -14.598 8.432 1.00 0.00 H new ATOM 0 H3' DC B 108 -1.228 -16.108 7.850 1.00 0.00 H new ATOM 0 H2' DC B 108 -1.300 -15.741 5.374 1.00 0.00 H new ATOM 0 H2'' DC B 108 -2.077 -17.302 5.555 1.00 0.00 H new ATOM 0 HO3' DC B 108 -2.545 -17.942 7.806 1.00 0.00 H new ATOM 0 H1' DC B 108 -4.306 -16.347 5.460 1.00 0.00 H new ATOM 0 H41 DC B 108 -1.928 -13.871 -0.203 1.00 0.00 H new ATOM 0 H42 DC B 108 -2.779 -15.379 -0.555 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.797 -12.951 2.084 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.417 -13.384 4.421 1.00 0.00 H new TER 515 DC B 108