USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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= 0.0772 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -18:sc= 0.0458 USER MOD Single : A 3 C O2' : rot -36:sc= 0.12 USER MOD Single : A 4 G O2' : rot -123:sc= 0.715 USER MOD Single : A 5 G O2' : rot -113:sc= 0.694 USER MOD Single : A 6 U O2' : rot -180:sc= 1.3 USER MOD Single : A 7 G O2' : rot -26:sc= 0.205 USER MOD Single : A 8 A O2' : rot -29:sc= 0.0628 USER MOD Single : A 9 A O2' : rot -20:sc= 0.0622 USER MOD Single : A 10 A O2' : rot 180:sc= 0 USER MOD Single : A 11 U O2' : rot -26:sc= 0.163 USER MOD Single : A 12 G O2' : rot 180:sc= -0.0116 USER MOD Single : A 13 C O2' : rot -16:sc= 0.141 USER MOD Single : A 14 C O2' : rot -26:sc= 0.133 USER MOD Single : A 14 C O3' : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 1.366 -10.056 -10.092 1.00 10.00 O ATOM 2 C5' G A 1 1.017 -11.085 -11.012 1.00 10.00 C ATOM 3 C4' G A 1 -0.186 -11.926 -10.570 1.00 10.00 C ATOM 4 O4' G A 1 0.130 -12.776 -9.478 1.00 10.00 O ATOM 5 C3' G A 1 -1.407 -11.108 -10.153 1.00 10.00 C ATOM 6 O3' G A 1 -2.161 -10.647 -11.259 1.00 10.00 O ATOM 7 C2' G A 1 -2.169 -12.153 -9.342 1.00 10.00 C ATOM 8 O2' G A 1 -2.864 -13.084 -10.168 1.00 10.00 O ATOM 9 C1' G A 1 -1.019 -12.875 -8.641 1.00 10.00 C ATOM 10 N9 G A 1 -0.691 -12.301 -7.315 1.00 10.00 N ATOM 11 C8 G A 1 0.352 -11.475 -6.976 1.00 10.00 C ATOM 12 N7 G A 1 0.607 -11.430 -5.697 1.00 10.00 N ATOM 13 C5 G A 1 -0.424 -12.194 -5.136 1.00 10.00 C ATOM 14 C6 G A 1 -0.712 -12.540 -3.770 1.00 10.00 C ATOM 15 O6 G A 1 -0.035 -12.308 -2.770 1.00 10.00 O ATOM 16 N1 G A 1 -1.892 -13.245 -3.623 1.00 10.00 N ATOM 17 C2 G A 1 -2.633 -13.685 -4.674 1.00 10.00 C ATOM 18 N2 G A 1 -3.633 -14.487 -4.430 1.00 10.00 N ATOM 19 N3 G A 1 -2.355 -13.475 -5.960 1.00 10.00 N ATOM 20 C4 G A 1 -1.249 -12.690 -6.123 1.00 10.00 C ATOM 0 H5' G A 1 1.876 -11.741 -11.152 1.00 10.00 H new ATOM 0 H5'' G A 1 0.798 -10.635 -11.980 1.00 10.00 H new ATOM 0 H4' G A 1 -0.432 -12.501 -11.463 1.00 10.00 H new ATOM 0 H3' G A 1 -1.168 -10.190 -9.616 1.00 10.00 H new ATOM 0 H2' G A 1 -2.928 -11.715 -8.694 1.00 10.00 H new ATOM 0 HO2' G A 1 -3.055 -12.672 -11.036 1.00 10.00 H new ATOM 0 HO5' G A 1 2.140 -9.561 -10.433 1.00 10.00 H new ATOM 0 H1' G A 1 -1.325 -13.908 -8.473 1.00 10.00 H new ATOM 0 H8 G A 1 0.914 -10.911 -7.706 1.00 10.00 H new ATOM 0 H1 G A 1 -2.223 -13.445 -2.679 1.00 10.00 H new ATOM 0 H21 G A 1 -4.208 -14.834 -5.198 1.00 10.00 H new ATOM 0 H22 G A 1 -3.840 -14.767 -3.471 1.00 10.00 H new ATOM 33 P G A 2 -2.936 -9.263 -11.169 1.00 10.00 P ATOM 34 OP1 G A 2 -3.602 -9.074 -12.474 1.00 10.00 O ATOM 35 OP2 G A 2 -1.966 -8.251 -10.701 1.00 10.00 O ATOM 36 O5' G A 2 -4.072 -9.524 -10.064 1.00 10.00 O ATOM 37 C5' G A 2 -5.262 -10.227 -10.411 1.00 10.00 C ATOM 38 C4' G A 2 -6.097 -10.700 -9.208 1.00 10.00 C ATOM 39 O4' G A 2 -5.267 -11.445 -8.321 1.00 10.00 O ATOM 40 C3' G A 2 -6.855 -9.639 -8.389 1.00 10.00 C ATOM 41 O3' G A 2 -8.146 -9.314 -8.916 1.00 10.00 O ATOM 42 C2' G A 2 -6.975 -10.395 -7.056 1.00 10.00 C ATOM 43 O2' G A 2 -8.013 -11.374 -7.043 1.00 10.00 O ATOM 44 C1' G A 2 -5.653 -11.159 -6.988 1.00 10.00 C ATOM 45 N9 G A 2 -4.603 -10.408 -6.264 1.00 10.00 N ATOM 46 C8 G A 2 -3.477 -9.775 -6.729 1.00 10.00 C ATOM 47 N7 G A 2 -2.683 -9.348 -5.784 1.00 10.00 N ATOM 48 C5 G A 2 -3.332 -9.724 -4.596 1.00 10.00 C ATOM 49 C6 G A 2 -2.979 -9.588 -3.203 1.00 10.00 C ATOM 50 O6 G A 2 -1.971 -9.112 -2.687 1.00 10.00 O ATOM 51 N1 G A 2 -3.938 -10.083 -2.343 1.00 10.00 N ATOM 52 C2 G A 2 -5.081 -10.677 -2.756 1.00 10.00 C ATOM 53 N2 G A 2 -5.902 -11.091 -1.838 1.00 10.00 N ATOM 54 N3 G A 2 -5.450 -10.852 -4.023 1.00 10.00 N ATOM 55 C4 G A 2 -4.524 -10.348 -4.897 1.00 10.00 C ATOM 0 H5' G A 2 -4.994 -11.094 -11.015 1.00 10.00 H new ATOM 0 H5'' G A 2 -5.881 -9.583 -11.036 1.00 10.00 H new ATOM 0 H4' G A 2 -6.886 -11.291 -9.673 1.00 10.00 H new ATOM 0 H3' G A 2 -6.359 -8.669 -8.356 1.00 10.00 H new ATOM 0 H2' G A 2 -7.190 -9.701 -6.243 1.00 10.00 H new ATOM 0 HO2' G A 2 -8.643 -11.193 -7.772 1.00 10.00 H new ATOM 0 H1' G A 2 -5.787 -12.080 -6.421 1.00 10.00 H new ATOM 0 H8 G A 2 -3.267 -9.642 -7.780 1.00 10.00 H new ATOM 0 H1 G A 2 -3.776 -9.996 -1.340 1.00 10.00 H new ATOM 0 H21 G A 2 -6.776 -11.545 -2.103 1.00 10.00 H new ATOM 0 H22 G A 2 -5.672 -10.962 -0.853 1.00 10.00 H new ATOM 67 P C A 3 -8.932 -7.990 -8.476 1.00 10.00 P ATOM 68 OP1 C A 3 -10.309 -8.085 -9.026 1.00 10.00 O ATOM 69 OP2 C A 3 -8.128 -6.833 -8.902 1.00 10.00 O ATOM 70 O5' C A 3 -9.076 -7.934 -6.881 1.00 10.00 O ATOM 71 C5' C A 3 -10.049 -8.724 -6.217 1.00 10.00 C ATOM 72 C4' C A 3 -9.959 -8.647 -4.689 1.00 10.00 C ATOM 73 O4' C A 3 -8.697 -9.109 -4.218 1.00 10.00 O ATOM 74 C3' C A 3 -10.203 -7.274 -4.050 1.00 10.00 C ATOM 75 O3' C A 3 -11.576 -6.949 -3.888 1.00 10.00 O ATOM 76 C2' C A 3 -9.598 -7.549 -2.674 1.00 10.00 C ATOM 77 O2' C A 3 -10.465 -8.340 -1.862 1.00 10.00 O ATOM 78 C1' C A 3 -8.394 -8.431 -3.005 1.00 10.00 C ATOM 79 N1 C A 3 -7.147 -7.627 -3.080 1.00 10.00 N ATOM 80 C2 C A 3 -6.592 -7.247 -1.853 1.00 10.00 C ATOM 81 O2 C A 3 -7.162 -7.494 -0.794 1.00 10.00 O ATOM 82 N3 C A 3 -5.416 -6.597 -1.790 1.00 10.00 N ATOM 83 C4 C A 3 -4.789 -6.332 -2.913 1.00 10.00 C ATOM 84 N4 C A 3 -3.653 -5.707 -2.824 1.00 10.00 N ATOM 85 C5 C A 3 -5.286 -6.697 -4.201 1.00 10.00 C ATOM 86 C6 C A 3 -6.482 -7.343 -4.249 1.00 10.00 C ATOM 0 H5' C A 3 -9.936 -9.763 -6.528 1.00 10.00 H new ATOM 0 H5'' C A 3 -11.042 -8.403 -6.531 1.00 10.00 H new ATOM 0 H4' C A 3 -10.784 -9.289 -4.381 1.00 10.00 H new ATOM 0 H3' C A 3 -9.800 -6.447 -4.635 1.00 10.00 H new ATOM 0 H2' C A 3 -9.388 -6.622 -2.140 1.00 10.00 H new ATOM 0 HO2' C A 3 -11.396 -8.084 -2.032 1.00 10.00 H new ATOM 0 H1' C A 3 -8.210 -9.164 -2.220 1.00 10.00 H new ATOM 0 H41 C A 3 -3.129 -5.479 -3.669 1.00 10.00 H new ATOM 0 H42 C A 3 -3.286 -5.444 -1.909 1.00 10.00 H new ATOM 0 H5 C A 3 -4.734 -6.469 -5.101 1.00 10.00 H new ATOM 0 H6 C A 3 -6.906 -7.631 -5.199 1.00 10.00 H new ATOM 98 P G A 4 -12.072 -5.432 -3.843 1.00 10.00 P ATOM 99 OP1 G A 4 -13.452 -5.415 -3.330 1.00 10.00 O ATOM 100 OP2 G A 4 -11.799 -4.882 -5.188 1.00 10.00 O ATOM 101 O5' G A 4 -11.171 -4.620 -2.808 1.00 10.00 O ATOM 102 C5' G A 4 -11.476 -4.577 -1.416 1.00 10.00 C ATOM 103 C4' G A 4 -10.422 -3.794 -0.628 1.00 10.00 C ATOM 104 O4' G A 4 -9.153 -4.400 -0.828 1.00 10.00 O ATOM 105 C3' G A 4 -10.312 -2.302 -0.982 1.00 10.00 C ATOM 106 O3' G A 4 -11.342 -1.534 -0.353 1.00 10.00 O ATOM 107 C2' G A 4 -8.874 -2.056 -0.494 1.00 10.00 C ATOM 108 O2' G A 4 -8.755 -1.840 0.904 1.00 10.00 O ATOM 109 C1' G A 4 -8.166 -3.383 -0.795 1.00 10.00 C ATOM 110 N9 G A 4 -7.466 -3.336 -2.095 1.00 10.00 N ATOM 111 C8 G A 4 -7.905 -3.737 -3.329 1.00 10.00 C ATOM 112 N7 G A 4 -7.020 -3.622 -4.282 1.00 10.00 N ATOM 113 C5 G A 4 -5.887 -3.121 -3.617 1.00 10.00 C ATOM 114 C6 G A 4 -4.542 -2.850 -4.064 1.00 10.00 C ATOM 115 O6 G A 4 -4.035 -3.036 -5.166 1.00 10.00 O ATOM 116 N1 G A 4 -3.722 -2.345 -3.074 1.00 10.00 N ATOM 117 C2 G A 4 -4.117 -2.183 -1.789 1.00 10.00 C ATOM 118 N2 G A 4 -3.209 -1.785 -0.951 1.00 10.00 N ATOM 119 N3 G A 4 -5.332 -2.448 -1.320 1.00 10.00 N ATOM 120 C4 G A 4 -6.173 -2.917 -2.285 1.00 10.00 C ATOM 0 H5' G A 4 -11.541 -5.593 -1.026 1.00 10.00 H new ATOM 0 H5'' G A 4 -12.454 -4.117 -1.272 1.00 10.00 H new ATOM 0 H4' G A 4 -10.747 -3.832 0.412 1.00 10.00 H new ATOM 0 H3' G A 4 -10.463 -2.014 -2.022 1.00 10.00 H new ATOM 0 H2' G A 4 -8.476 -1.163 -0.976 1.00 10.00 H new ATOM 0 HO2' G A 4 -8.329 -0.972 1.066 1.00 10.00 H new ATOM 0 H1' G A 4 -7.420 -3.579 -0.024 1.00 10.00 H new ATOM 0 H8 G A 4 -8.901 -4.117 -3.500 1.00 10.00 H new ATOM 0 H1 G A 4 -2.769 -2.080 -3.324 1.00 10.00 H new ATOM 0 H21 G A 4 -3.447 -1.645 0.031 1.00 10.00 H new ATOM 0 H22 G A 4 -2.257 -1.612 -1.274 1.00 10.00 H new ATOM 132 P G A 5 -11.643 -0.009 -0.719 1.00 10.00 P ATOM 133 OP1 G A 5 -12.750 0.459 0.152 1.00 10.00 O ATOM 134 OP2 G A 5 -11.823 0.125 -2.178 1.00 10.00 O ATOM 135 O5' G A 5 -10.335 0.792 -0.304 1.00 10.00 O ATOM 136 C5' G A 5 -10.059 1.052 1.060 1.00 10.00 C ATOM 137 C4' G A 5 -8.660 1.647 1.222 1.00 10.00 C ATOM 138 O4' G A 5 -7.638 0.792 0.737 1.00 10.00 O ATOM 139 C3' G A 5 -8.518 2.986 0.517 1.00 10.00 C ATOM 140 O3' G A 5 -9.162 3.964 1.309 1.00 10.00 O ATOM 141 C2' G A 5 -6.987 3.084 0.447 1.00 10.00 C ATOM 142 O2' G A 5 -6.369 3.575 1.631 1.00 10.00 O ATOM 143 C1' G A 5 -6.581 1.619 0.267 1.00 10.00 C ATOM 144 N9 G A 5 -6.291 1.335 -1.153 1.00 10.00 N ATOM 145 C8 G A 5 -7.146 1.046 -2.191 1.00 10.00 C ATOM 146 N7 G A 5 -6.537 0.870 -3.336 1.00 10.00 N ATOM 147 C5 G A 5 -5.173 0.990 -3.016 1.00 10.00 C ATOM 148 C6 G A 5 -3.969 0.817 -3.794 1.00 10.00 C ATOM 149 O6 G A 5 -3.834 0.531 -4.983 1.00 10.00 O ATOM 150 N1 G A 5 -2.806 0.992 -3.072 1.00 10.00 N ATOM 151 C2 G A 5 -2.779 1.348 -1.765 1.00 10.00 C ATOM 152 N2 G A 5 -1.604 1.441 -1.201 1.00 10.00 N ATOM 153 N3 G A 5 -3.859 1.537 -1.009 1.00 10.00 N ATOM 154 C4 G A 5 -5.027 1.316 -1.687 1.00 10.00 C ATOM 0 H5' G A 5 -10.136 0.129 1.635 1.00 10.00 H new ATOM 0 H5'' G A 5 -10.802 1.741 1.462 1.00 10.00 H new ATOM 0 H4' G A 5 -8.541 1.778 2.298 1.00 10.00 H new ATOM 0 H3' G A 5 -8.969 3.112 -0.467 1.00 10.00 H new ATOM 0 H2' G A 5 -6.681 3.779 -0.335 1.00 10.00 H new ATOM 0 HO2' G A 5 -5.971 4.452 1.452 1.00 10.00 H new ATOM 0 H1' G A 5 -5.676 1.415 0.839 1.00 10.00 H new ATOM 0 H8 G A 5 -8.217 0.971 -2.073 1.00 10.00 H new ATOM 0 H1 G A 5 -1.917 0.845 -3.549 1.00 10.00 H new ATOM 0 H21 G A 5 -1.529 1.706 -0.219 1.00 10.00 H new ATOM 0 H22 G A 5 -0.762 1.249 -1.743 1.00 10.00 H new ATOM 166 P U A 6 -9.686 5.332 0.723 1.00 10.00 P ATOM 167 OP1 U A 6 -10.438 5.990 1.806 1.00 10.00 O ATOM 168 OP2 U A 6 -10.347 5.098 -0.579 1.00 10.00 O ATOM 169 O5' U A 6 -8.359 6.148 0.447 1.00 10.00 O ATOM 170 C5' U A 6 -7.592 6.664 1.515 1.00 10.00 C ATOM 171 C4' U A 6 -6.226 7.111 0.991 1.00 10.00 C ATOM 172 O4' U A 6 -5.474 6.028 0.437 1.00 10.00 O ATOM 173 C3' U A 6 -6.315 8.194 -0.083 1.00 10.00 C ATOM 174 O3' U A 6 -6.644 9.479 0.436 1.00 10.00 O ATOM 175 C2' U A 6 -4.879 8.056 -0.593 1.00 10.00 C ATOM 176 O2' U A 6 -3.911 8.661 0.265 1.00 10.00 O ATOM 177 C1' U A 6 -4.661 6.548 -0.625 1.00 10.00 C ATOM 178 N1 U A 6 -5.002 5.946 -1.957 1.00 10.00 N ATOM 179 C2 U A 6 -3.985 5.846 -2.920 1.00 10.00 C ATOM 180 O2 U A 6 -2.850 6.271 -2.755 1.00 10.00 O ATOM 181 N3 U A 6 -4.283 5.228 -4.112 1.00 10.00 N ATOM 182 C4 U A 6 -5.513 4.736 -4.459 1.00 10.00 C ATOM 183 O4 U A 6 -5.676 4.200 -5.552 1.00 10.00 O ATOM 184 C5 U A 6 -6.535 4.897 -3.448 1.00 10.00 C ATOM 185 C6 U A 6 -6.269 5.489 -2.252 1.00 10.00 C ATOM 0 H5' U A 6 -7.467 5.905 2.287 1.00 10.00 H new ATOM 0 H5'' U A 6 -8.110 7.505 1.976 1.00 10.00 H new ATOM 0 H4' U A 6 -5.725 7.512 1.872 1.00 10.00 H new ATOM 0 H3' U A 6 -7.098 8.089 -0.834 1.00 10.00 H new ATOM 0 H2' U A 6 -4.755 8.556 -1.553 1.00 10.00 H new ATOM 0 HO2' U A 6 -3.016 8.539 -0.115 1.00 10.00 H new ATOM 0 H1' U A 6 -3.610 6.294 -0.483 1.00 10.00 H new ATOM 0 H3 U A 6 -3.528 5.128 -4.791 1.00 10.00 H new ATOM 0 H5 U A 6 -7.534 4.538 -3.647 1.00 10.00 H new ATOM 0 H6 U A 6 -7.060 5.602 -1.525 1.00 10.00 H new ATOM 196 P G A 7 -7.512 10.515 -0.409 1.00 10.00 P ATOM 197 OP1 G A 7 -7.688 11.741 0.407 1.00 10.00 O ATOM 198 OP2 G A 7 -8.733 9.814 -0.855 1.00 10.00 O ATOM 199 O5' G A 7 -6.638 10.943 -1.684 1.00 10.00 O ATOM 200 C5' G A 7 -7.219 11.658 -2.774 1.00 10.00 C ATOM 201 C4' G A 7 -6.190 12.147 -3.820 1.00 10.00 C ATOM 202 O4' G A 7 -5.278 13.106 -3.282 1.00 10.00 O ATOM 203 C3' G A 7 -5.364 11.016 -4.427 1.00 10.00 C ATOM 204 O3' G A 7 -5.877 10.380 -5.596 1.00 10.00 O ATOM 205 C2' G A 7 -4.013 11.662 -4.702 1.00 10.00 C ATOM 206 O2' G A 7 -3.953 12.194 -6.017 1.00 10.00 O ATOM 207 C1' G A 7 -3.945 12.831 -3.727 1.00 10.00 C ATOM 208 N9 G A 7 -3.078 12.530 -2.565 1.00 10.00 N ATOM 209 C8 G A 7 -3.486 12.226 -1.296 1.00 10.00 C ATOM 210 N7 G A 7 -2.521 12.220 -0.405 1.00 10.00 N ATOM 211 C5 G A 7 -1.364 12.384 -1.186 1.00 10.00 C ATOM 212 C6 G A 7 0.039 12.353 -0.840 1.00 10.00 C ATOM 213 O6 G A 7 0.573 12.264 0.270 1.00 10.00 O ATOM 214 N1 G A 7 0.883 12.426 -1.930 1.00 10.00 N ATOM 215 C2 G A 7 0.448 12.594 -3.202 1.00 10.00 C ATOM 216 N2 G A 7 1.348 12.522 -4.146 1.00 10.00 N ATOM 217 N3 G A 7 -0.830 12.727 -3.563 1.00 10.00 N ATOM 218 C4 G A 7 -1.699 12.571 -2.513 1.00 10.00 C ATOM 0 H5' G A 7 -7.763 12.518 -2.383 1.00 10.00 H new ATOM 0 H5'' G A 7 -7.949 11.017 -3.268 1.00 10.00 H new ATOM 0 H4' G A 7 -6.801 12.605 -4.598 1.00 10.00 H new ATOM 0 H3' G A 7 -5.348 10.181 -3.727 1.00 10.00 H new ATOM 0 H2' G A 7 -3.205 10.938 -4.595 1.00 10.00 H new ATOM 0 HO2' G A 7 -4.579 11.709 -6.595 1.00 10.00 H new ATOM 0 H1' G A 7 -3.512 13.694 -4.232 1.00 10.00 H new ATOM 0 H8 G A 7 -4.514 12.009 -1.047 1.00 10.00 H new ATOM 0 H1 G A 7 1.887 12.349 -1.769 1.00 10.00 H new ATOM 0 H21 G A 7 1.075 12.641 -5.121 1.00 10.00 H new ATOM 0 H22 G A 7 2.324 12.347 -3.908 1.00 10.00 H new ATOM 230 P A A 8 -5.573 8.821 -5.862 1.00 10.00 P ATOM 231 OP1 A A 8 -5.928 8.509 -7.268 1.00 10.00 O ATOM 232 OP2 A A 8 -6.204 8.055 -4.777 1.00 10.00 O ATOM 233 O5' A A 8 -3.984 8.674 -5.743 1.00 10.00 O ATOM 234 C5' A A 8 -3.167 8.847 -6.892 1.00 10.00 C ATOM 235 C4' A A 8 -1.669 8.886 -6.581 1.00 10.00 C ATOM 236 O4' A A 8 -1.350 9.919 -5.653 1.00 10.00 O ATOM 237 C3' A A 8 -1.070 7.589 -6.024 1.00 10.00 C ATOM 238 O3' A A 8 -0.776 6.655 -7.045 1.00 10.00 O ATOM 239 C2' A A 8 0.220 8.155 -5.413 1.00 10.00 C ATOM 240 O2' A A 8 1.206 8.473 -6.395 1.00 10.00 O ATOM 241 C1' A A 8 -0.283 9.465 -4.833 1.00 10.00 C ATOM 242 N9 A A 8 -0.681 9.252 -3.431 1.00 10.00 N ATOM 243 C8 A A 8 -1.920 9.114 -2.859 1.00 10.00 C ATOM 244 N7 A A 8 -1.887 9.010 -1.554 1.00 10.00 N ATOM 245 C5 A A 8 -0.517 8.998 -1.266 1.00 10.00 C ATOM 246 C6 A A 8 0.268 8.863 -0.098 1.00 10.00 C ATOM 247 N6 A A 8 -0.214 8.690 1.116 1.00 10.00 N ATOM 248 N1 A A 8 1.604 8.894 -0.147 1.00 10.00 N ATOM 249 C2 A A 8 2.168 9.048 -1.341 1.00 10.00 C ATOM 250 N3 A A 8 1.573 9.180 -2.514 1.00 10.00 N ATOM 251 C4 A A 8 0.217 9.140 -2.406 1.00 10.00 C ATOM 0 H5' A A 8 -3.450 9.774 -7.392 1.00 10.00 H new ATOM 0 H5'' A A 8 -3.363 8.035 -7.592 1.00 10.00 H new ATOM 0 H4' A A 8 -1.228 9.063 -7.562 1.00 10.00 H new ATOM 0 H3' A A 8 -1.721 7.040 -5.344 1.00 10.00 H new ATOM 0 H2' A A 8 0.690 7.453 -4.724 1.00 10.00 H new ATOM 0 HO2' A A 8 1.095 7.886 -7.172 1.00 10.00 H new ATOM 0 H1' A A 8 0.489 10.234 -4.825 1.00 10.00 H new ATOM 0 H8 A A 8 -2.836 9.093 -3.431 1.00 10.00 H new ATOM 0 H61 A A 8 0.421 8.601 1.909 1.00 10.00 H new ATOM 0 H62 A A 8 -1.222 8.645 1.263 1.00 10.00 H new ATOM 0 H2 A A 8 3.248 9.068 -1.354 1.00 10.00 H new ATOM 263 P A A 9 -0.333 5.166 -6.729 1.00 10.00 P ATOM 264 OP1 A A 9 0.465 4.775 -7.911 1.00 10.00 O ATOM 265 OP2 A A 9 -1.531 4.369 -6.401 1.00 10.00 O ATOM 266 O5' A A 9 0.676 5.185 -5.485 1.00 10.00 O ATOM 267 C5' A A 9 0.388 4.487 -4.281 1.00 10.00 C ATOM 268 C4' A A 9 1.460 4.750 -3.210 1.00 10.00 C ATOM 269 O4' A A 9 1.115 5.856 -2.378 1.00 10.00 O ATOM 270 C3' A A 9 1.622 3.562 -2.258 1.00 10.00 C ATOM 271 O3' A A 9 2.464 2.527 -2.753 1.00 10.00 O ATOM 272 C2' A A 9 2.250 4.256 -1.047 1.00 10.00 C ATOM 273 O2' A A 9 3.651 4.458 -1.178 1.00 10.00 O ATOM 274 C1' A A 9 1.586 5.625 -1.049 1.00 10.00 C ATOM 275 N9 A A 9 0.476 5.603 -0.071 1.00 10.00 N ATOM 276 C8 A A 9 -0.860 5.521 -0.337 1.00 10.00 C ATOM 277 N7 A A 9 -1.618 5.421 0.724 1.00 10.00 N ATOM 278 C5 A A 9 -0.696 5.443 1.778 1.00 10.00 C ATOM 279 C6 A A 9 -0.786 5.354 3.187 1.00 10.00 C ATOM 280 N6 A A 9 -1.901 5.180 3.868 1.00 10.00 N ATOM 281 N1 A A 9 0.300 5.425 3.958 1.00 10.00 N ATOM 282 C2 A A 9 1.474 5.534 3.352 1.00 10.00 C ATOM 283 N3 A A 9 1.724 5.610 2.047 1.00 10.00 N ATOM 284 C4 A A 9 0.581 5.566 1.303 1.00 10.00 C ATOM 0 H5' A A 9 0.329 3.418 -4.484 1.00 10.00 H new ATOM 0 H5'' A A 9 -0.588 4.795 -3.905 1.00 10.00 H new ATOM 0 H4' A A 9 2.376 4.939 -3.770 1.00 10.00 H new ATOM 0 H3' A A 9 0.685 3.037 -2.071 1.00 10.00 H new ATOM 0 H2' A A 9 2.109 3.657 -0.147 1.00 10.00 H new ATOM 0 HO2' A A 9 4.006 3.852 -1.861 1.00 10.00 H new ATOM 0 H1' A A 9 2.270 6.425 -0.764 1.00 10.00 H new ATOM 0 H8 A A 9 -1.258 5.537 -1.341 1.00 10.00 H new ATOM 0 H61 A A 9 -1.874 5.127 4.886 1.00 10.00 H new ATOM 0 H62 A A 9 -2.791 5.098 3.377 1.00 10.00 H new ATOM 0 H2 A A 9 2.338 5.565 4.000 1.00 10.00 H new ATOM 296 P A A 10 2.328 1.030 -2.222 1.00 10.00 P ATOM 297 OP1 A A 10 3.411 0.236 -2.844 1.00 10.00 O ATOM 298 OP2 A A 10 0.921 0.617 -2.342 1.00 10.00 O ATOM 299 O5' A A 10 2.649 1.091 -0.661 1.00 10.00 O ATOM 300 C5' A A 10 3.970 1.241 -0.169 1.00 10.00 C ATOM 301 C4' A A 10 3.955 1.412 1.353 1.00 10.00 C ATOM 302 O4' A A 10 3.158 2.531 1.746 1.00 10.00 O ATOM 303 C3' A A 10 3.382 0.206 2.097 1.00 10.00 C ATOM 304 O3' A A 10 4.283 -0.890 2.222 1.00 10.00 O ATOM 305 C2' A A 10 3.018 0.879 3.428 1.00 10.00 C ATOM 306 O2' A A 10 4.130 1.171 4.274 1.00 10.00 O ATOM 307 C1' A A 10 2.449 2.205 2.939 1.00 10.00 C ATOM 308 N9 A A 10 0.992 2.064 2.711 1.00 10.00 N ATOM 309 C8 A A 10 0.298 1.959 1.530 1.00 10.00 C ATOM 310 N7 A A 10 -0.993 1.842 1.681 1.00 10.00 N ATOM 311 C5 A A 10 -1.163 1.856 3.069 1.00 10.00 C ATOM 312 C6 A A 10 -2.274 1.787 3.943 1.00 10.00 C ATOM 313 N6 A A 10 -3.532 1.708 3.558 1.00 10.00 N ATOM 314 N1 A A 10 -2.115 1.843 5.268 1.00 10.00 N ATOM 315 C2 A A 10 -0.877 1.956 5.734 1.00 10.00 C ATOM 316 N3 A A 10 0.257 2.053 5.049 1.00 10.00 N ATOM 317 C4 A A 10 0.042 1.989 3.703 1.00 10.00 C ATOM 0 H5' A A 10 4.442 2.106 -0.634 1.00 10.00 H new ATOM 0 H5'' A A 10 4.567 0.369 -0.438 1.00 10.00 H new ATOM 0 H4' A A 10 5.004 1.546 1.617 1.00 10.00 H new ATOM 0 H3' A A 10 2.551 -0.288 1.592 1.00 10.00 H new ATOM 0 H2' A A 10 2.371 0.238 4.027 1.00 10.00 H new ATOM 0 HO2' A A 10 3.812 1.598 5.097 1.00 10.00 H new ATOM 0 H1' A A 10 2.572 3.006 3.668 1.00 10.00 H new ATOM 0 H8 A A 10 0.778 1.972 0.563 1.00 10.00 H new ATOM 0 H61 A A 10 -4.276 1.662 4.254 1.00 10.00 H new ATOM 0 H62 A A 10 -3.761 1.693 2.564 1.00 10.00 H new ATOM 0 H2 A A 10 -0.779 1.971 6.809 1.00 10.00 H new ATOM 329 P U A 11 3.704 -2.367 2.369 1.00 10.00 P ATOM 330 OP1 U A 11 4.833 -3.283 2.649 1.00 10.00 O ATOM 331 OP2 U A 11 2.867 -2.616 1.180 1.00 10.00 O ATOM 332 O5' U A 11 2.773 -2.330 3.646 1.00 10.00 O ATOM 333 C5' U A 11 3.288 -2.219 4.962 1.00 10.00 C ATOM 334 C4' U A 11 2.116 -2.127 5.939 1.00 10.00 C ATOM 335 O4' U A 11 1.126 -1.176 5.553 1.00 10.00 O ATOM 336 C3' U A 11 1.409 -3.471 6.033 1.00 10.00 C ATOM 337 O3' U A 11 2.052 -4.356 6.932 1.00 10.00 O ATOM 338 C2' U A 11 0.070 -3.016 6.595 1.00 10.00 C ATOM 339 O2' U A 11 0.151 -2.828 8.008 1.00 10.00 O ATOM 340 C1' U A 11 -0.164 -1.681 5.891 1.00 10.00 C ATOM 341 N1 U A 11 -1.061 -1.874 4.712 1.00 10.00 N ATOM 342 C2 U A 11 -2.436 -2.014 4.956 1.00 10.00 C ATOM 343 O2 U A 11 -2.931 -1.920 6.080 1.00 10.00 O ATOM 344 N3 U A 11 -3.242 -2.302 3.876 1.00 10.00 N ATOM 345 C4 U A 11 -2.823 -2.411 2.582 1.00 10.00 C ATOM 346 O4 U A 11 -3.647 -2.660 1.724 1.00 10.00 O ATOM 347 C5 U A 11 -1.406 -2.240 2.393 1.00 10.00 C ATOM 348 C6 U A 11 -0.569 -1.995 3.433 1.00 10.00 C ATOM 0 H5' U A 11 3.921 -1.336 5.047 1.00 10.00 H new ATOM 0 H5'' U A 11 3.911 -3.082 5.198 1.00 10.00 H new ATOM 0 H4' U A 11 2.555 -1.818 6.888 1.00 10.00 H new ATOM 0 H3' U A 11 1.370 -4.025 5.095 1.00 10.00 H new ATOM 0 H2' U A 11 -0.730 -3.738 6.432 1.00 10.00 H new ATOM 0 HO2' U A 11 0.866 -3.390 8.372 1.00 10.00 H new ATOM 0 H1' U A 11 -0.676 -0.955 6.523 1.00 10.00 H new ATOM 0 H3 U A 11 -4.235 -2.446 4.059 1.00 10.00 H new ATOM 0 H5 U A 11 -0.998 -2.309 1.396 1.00 10.00 H new ATOM 0 H6 U A 11 0.491 -1.894 3.255 1.00 10.00 H new ATOM 359 P G A 12 2.002 -5.918 6.709 1.00 10.00 P ATOM 360 OP1 G A 12 2.658 -6.495 7.900 1.00 10.00 O ATOM 361 OP2 G A 12 2.555 -6.186 5.373 1.00 10.00 O ATOM 362 O5' G A 12 0.462 -6.287 6.706 1.00 10.00 O ATOM 363 C5' G A 12 -0.309 -6.370 7.886 1.00 10.00 C ATOM 364 C4' G A 12 -1.793 -6.492 7.525 1.00 10.00 C ATOM 365 O4' G A 12 -2.260 -5.392 6.746 1.00 10.00 O ATOM 366 C3' G A 12 -2.151 -7.787 6.794 1.00 10.00 C ATOM 367 O3' G A 12 -2.307 -8.831 7.745 1.00 10.00 O ATOM 368 C2' G A 12 -3.456 -7.333 6.131 1.00 10.00 C ATOM 369 O2' G A 12 -4.561 -7.334 7.033 1.00 10.00 O ATOM 370 C1' G A 12 -3.136 -5.894 5.746 1.00 10.00 C ATOM 371 N9 G A 12 -2.542 -5.840 4.394 1.00 10.00 N ATOM 372 C8 G A 12 -1.238 -5.702 4.006 1.00 10.00 C ATOM 373 N7 G A 12 -1.053 -5.628 2.718 1.00 10.00 N ATOM 374 C5 G A 12 -2.350 -5.774 2.201 1.00 10.00 C ATOM 375 C6 G A 12 -2.848 -5.828 0.852 1.00 10.00 C ATOM 376 O6 G A 12 -2.243 -5.694 -0.209 1.00 10.00 O ATOM 377 N1 G A 12 -4.195 -6.108 0.788 1.00 10.00 N ATOM 378 C2 G A 12 -4.999 -6.240 1.867 1.00 10.00 C ATOM 379 N2 G A 12 -6.239 -6.568 1.638 1.00 10.00 N ATOM 380 N3 G A 12 -4.605 -6.131 3.137 1.00 10.00 N ATOM 381 C4 G A 12 -3.258 -5.920 3.229 1.00 10.00 C ATOM 0 H5' G A 12 -0.146 -5.485 8.502 1.00 10.00 H new ATOM 0 H5'' G A 12 0.004 -7.231 8.477 1.00 10.00 H new ATOM 0 H4' G A 12 -2.293 -6.497 8.493 1.00 10.00 H new ATOM 0 H3' G A 12 -1.429 -8.192 6.085 1.00 10.00 H new ATOM 0 H2' G A 12 -3.746 -7.988 5.309 1.00 10.00 H new ATOM 0 HO2' G A 12 -5.367 -7.036 6.563 1.00 10.00 H new ATOM 0 H1' G A 12 -4.034 -5.278 5.700 1.00 10.00 H new ATOM 0 H8 G A 12 -0.423 -5.658 4.713 1.00 10.00 H new ATOM 0 H1 G A 12 -4.614 -6.223 -0.135 1.00 10.00 H new ATOM 0 H21 G A 12 -6.889 -6.681 2.416 1.00 10.00 H new ATOM 0 H22 G A 12 -6.560 -6.712 0.681 1.00 10.00 H new ATOM 393 P C A 13 -2.041 -10.354 7.353 1.00 10.00 P ATOM 394 OP1 C A 13 -2.077 -11.198 8.565 1.00 10.00 O ATOM 395 OP2 C A 13 -0.864 -10.426 6.470 1.00 10.00 O ATOM 396 O5' C A 13 -3.318 -10.699 6.476 1.00 10.00 O ATOM 397 C5' C A 13 -4.641 -10.714 6.990 1.00 10.00 C ATOM 398 C4' C A 13 -5.629 -10.852 5.823 1.00 10.00 C ATOM 399 O4' C A 13 -5.538 -9.800 4.869 1.00 10.00 O ATOM 400 C3' C A 13 -5.372 -12.145 5.062 1.00 10.00 C ATOM 401 O3' C A 13 -6.030 -13.221 5.719 1.00 10.00 O ATOM 402 C2' C A 13 -6.024 -11.834 3.725 1.00 10.00 C ATOM 403 O2' C A 13 -7.431 -12.012 3.766 1.00 10.00 O ATOM 404 C1' C A 13 -5.685 -10.356 3.561 1.00 10.00 C ATOM 405 N1 C A 13 -4.432 -10.197 2.753 1.00 10.00 N ATOM 406 C2 C A 13 -4.512 -10.336 1.371 1.00 10.00 C ATOM 407 O2 C A 13 -5.517 -10.819 0.855 1.00 10.00 O ATOM 408 N3 C A 13 -3.508 -9.964 0.555 1.00 10.00 N ATOM 409 C4 C A 13 -2.421 -9.442 1.095 1.00 10.00 C ATOM 410 N4 C A 13 -1.476 -9.053 0.282 1.00 10.00 N ATOM 411 C5 C A 13 -2.249 -9.321 2.497 1.00 10.00 C ATOM 412 C6 C A 13 -3.257 -9.753 3.304 1.00 10.00 C ATOM 0 H5' C A 13 -4.840 -9.797 7.545 1.00 10.00 H new ATOM 0 H5'' C A 13 -4.764 -11.542 7.688 1.00 10.00 H new ATOM 0 H4' C A 13 -6.616 -10.829 6.285 1.00 10.00 H new ATOM 0 H3' C A 13 -4.325 -12.439 4.981 1.00 10.00 H new ATOM 0 H2' C A 13 -5.680 -12.479 2.916 1.00 10.00 H new ATOM 0 HO2' C A 13 -7.672 -12.532 4.561 1.00 10.00 H new ATOM 0 H1' C A 13 -6.477 -9.832 3.026 1.00 10.00 H new ATOM 0 H41 C A 13 -0.619 -8.644 0.655 1.00 10.00 H new ATOM 0 H42 C A 13 -1.595 -9.158 -0.726 1.00 10.00 H new ATOM 0 H5 C A 13 -1.346 -8.899 2.912 1.00 10.00 H new ATOM 0 H6 C A 13 -3.132 -9.746 4.377 1.00 10.00 H new ATOM 424 P C A 14 -5.335 -14.614 5.938 1.00 10.00 P ATOM 425 OP1 C A 14 -6.261 -15.359 6.822 1.00 10.00 O ATOM 426 OP2 C A 14 -3.947 -14.375 6.374 1.00 10.00 O ATOM 427 O5' C A 14 -5.337 -15.262 4.490 1.00 10.00 O ATOM 428 C5' C A 14 -6.532 -15.753 3.903 1.00 10.00 C ATOM 429 C4' C A 14 -6.327 -16.119 2.431 1.00 10.00 C ATOM 430 O4' C A 14 -6.069 -14.954 1.659 1.00 10.00 O ATOM 431 C3' C A 14 -5.125 -17.042 2.204 1.00 10.00 C ATOM 432 O3' C A 14 -5.333 -18.436 2.426 1.00 10.00 O ATOM 433 C2' C A 14 -4.864 -16.790 0.722 1.00 10.00 C ATOM 434 O2' C A 14 -5.725 -17.559 -0.110 1.00 10.00 O ATOM 435 C1' C A 14 -5.214 -15.304 0.580 1.00 10.00 C ATOM 436 N1 C A 14 -3.961 -14.479 0.577 1.00 10.00 N ATOM 437 C2 C A 14 -3.309 -14.353 -0.649 1.00 10.00 C ATOM 438 O2 C A 14 -3.755 -14.813 -1.688 1.00 10.00 O ATOM 439 N3 C A 14 -2.141 -13.707 -0.753 1.00 10.00 N ATOM 440 C4 C A 14 -1.629 -13.140 0.317 1.00 10.00 C ATOM 441 N4 C A 14 -0.530 -12.504 0.042 1.00 10.00 N ATOM 442 C5 C A 14 -2.240 -13.186 1.603 1.00 10.00 C ATOM 443 C6 C A 14 -3.414 -13.883 1.700 1.00 10.00 C ATOM 0 H5' C A 14 -7.315 -14.999 3.986 1.00 10.00 H new ATOM 0 H5'' C A 14 -6.874 -16.630 4.452 1.00 10.00 H new ATOM 0 H4' C A 14 -7.246 -16.623 2.132 1.00 10.00 H new ATOM 0 H3' C A 14 -4.324 -16.821 2.909 1.00 10.00 H new ATOM 0 H2' C A 14 -3.850 -17.056 0.425 1.00 10.00 H new ATOM 0 HO2' C A 14 -6.010 -18.365 0.370 1.00 10.00 H new ATOM 0 HO3' C A 14 -4.501 -18.923 2.249 1.00 10.00 H new ATOM 0 H1' C A 14 -5.726 -15.112 -0.363 1.00 10.00 H new ATOM 0 H41 C A 14 -0.025 -12.016 0.781 1.00 10.00 H new ATOM 0 H42 C A 14 -0.173 -12.493 -0.913 1.00 10.00 H new ATOM 0 H5 C A 14 -1.799 -12.696 2.458 1.00 10.00 H new ATOM 0 H6 C A 14 -3.914 -13.968 2.654 1.00 10.00 H new TER 456 C A 14