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 -29:sc= 0.338 USER MOD Single : A 1 G O5' : rot -1:sc= 0.404! USER MOD Single : A 2 G O2' : rot -22:sc= 0.301 USER MOD Single : A 3 U O2' : rot 4:sc= -0.326 USER MOD Single : A 4 U O2' : rot -12:sc= 0.293 USER MOD Single : A 5 C O2' : rot -91:sc= 0.592 USER MOD Single : A 6 A O2' : rot -51:sc= -3.05! USER MOD Single : A 7 G O2' : rot 36:sc= 0.265 USER MOD Single : A 8 A O2' : rot -143:sc= -6.2! USER MOD Single : A 9 A O2' : rot -139:sc= -4.71! USER MOD Single : A 10 G O2' : rot -15:sc= 0.283 USER MOD Single : A 11 A O2' : rot -14:sc= 0.459 USER MOD Single : A 12 A O2' : rot -15:sc= 0.312 USER MOD Single : A 13 C O2' : rot -13:sc= 0.428 USER MOD Single : A 14 C O2' : rot -25:sc= 0.192 USER MOD Single : A 14 C O3' : rot 180:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.663 -7.579 -9.327 1.00 0.00 O ATOM 2 C5' G A 1 -5.993 -7.871 -9.763 1.00 0.00 C ATOM 3 C4' G A 1 -6.719 -8.786 -8.782 1.00 0.00 C ATOM 4 O4' G A 1 -5.975 -9.988 -8.544 1.00 0.00 O ATOM 5 C3' G A 1 -6.879 -8.114 -7.425 1.00 0.00 C ATOM 6 O3' G A 1 -8.185 -7.535 -7.360 1.00 0.00 O ATOM 7 C2' G A 1 -6.821 -9.274 -6.451 1.00 0.00 C ATOM 8 O2' G A 1 -8.108 -9.880 -6.281 1.00 0.00 O ATOM 9 C1' G A 1 -5.844 -10.220 -7.133 1.00 0.00 C ATOM 10 N9 G A 1 -4.465 -9.966 -6.680 1.00 0.00 N ATOM 11 C8 G A 1 -3.410 -9.457 -7.362 1.00 0.00 C ATOM 12 N7 G A 1 -2.294 -9.323 -6.726 1.00 0.00 N ATOM 13 C5 G A 1 -2.630 -9.800 -5.457 1.00 0.00 C ATOM 14 C6 G A 1 -1.832 -9.917 -4.288 1.00 0.00 C ATOM 15 O6 G A 1 -0.648 -9.618 -4.139 1.00 0.00 O ATOM 16 N1 G A 1 -2.556 -10.444 -3.227 1.00 0.00 N ATOM 17 C2 G A 1 -3.885 -10.814 -3.276 1.00 0.00 C ATOM 18 N2 G A 1 -4.405 -11.302 -2.148 1.00 0.00 N ATOM 19 N3 G A 1 -4.644 -10.708 -4.372 1.00 0.00 N ATOM 20 C4 G A 1 -3.959 -10.196 -5.419 1.00 0.00 C ATOM 0 H5' G A 1 -5.959 -8.344 -10.745 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.551 -6.942 -9.876 1.00 0.00 H new ATOM 0 H4' G A 1 -7.687 -9.006 -9.232 1.00 0.00 H new ATOM 0 H3' G A 1 -6.136 -7.341 -7.229 1.00 0.00 H new ATOM 0 H2' G A 1 -6.516 -8.985 -5.445 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.807 -9.207 -6.417 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.496 -8.019 -8.467 1.00 0.00 H new ATOM 0 H1' G A 1 -6.064 -11.259 -6.886 1.00 0.00 H new ATOM 0 H8 G A 1 -3.499 -9.174 -8.400 1.00 0.00 H new ATOM 0 H1 G A 1 -2.067 -10.568 -2.341 1.00 0.00 H new ATOM 0 H21 G A 1 -5.382 -11.593 -2.121 1.00 0.00 H new ATOM 0 H22 G A 1 -3.825 -11.384 -1.313 1.00 0.00 H new ATOM 33 P G A 2 -8.396 -6.064 -6.739 1.00 0.00 P ATOM 34 OP1 G A 2 -9.679 -5.528 -7.247 1.00 0.00 O ATOM 35 OP2 G A 2 -7.147 -5.296 -6.934 1.00 0.00 O ATOM 36 O5' G A 2 -8.564 -6.365 -5.167 1.00 0.00 O ATOM 37 C5' G A 2 -9.840 -6.717 -4.630 1.00 0.00 C ATOM 38 C4' G A 2 -9.732 -7.185 -3.183 1.00 0.00 C ATOM 39 O4' G A 2 -8.698 -8.159 -3.023 1.00 0.00 O ATOM 40 C3' G A 2 -9.353 -6.039 -2.263 1.00 0.00 C ATOM 41 O3' G A 2 -10.551 -5.432 -1.773 1.00 0.00 O ATOM 42 C2' G A 2 -8.668 -6.749 -1.111 1.00 0.00 C ATOM 43 O2' G A 2 -9.617 -7.228 -0.152 1.00 0.00 O ATOM 44 C1' G A 2 -7.958 -7.898 -1.819 1.00 0.00 C ATOM 45 N9 G A 2 -6.561 -7.538 -2.121 1.00 0.00 N ATOM 46 C8 G A 2 -5.992 -7.185 -3.300 1.00 0.00 C ATOM 47 N7 G A 2 -4.730 -6.913 -3.299 1.00 0.00 N ATOM 48 C5 G A 2 -4.399 -7.105 -1.955 1.00 0.00 C ATOM 49 C6 G A 2 -3.148 -6.965 -1.295 1.00 0.00 C ATOM 50 O6 G A 2 -2.065 -6.638 -1.776 1.00 0.00 O ATOM 51 N1 G A 2 -3.252 -7.252 0.059 1.00 0.00 N ATOM 52 C2 G A 2 -4.410 -7.628 0.708 1.00 0.00 C ATOM 53 N2 G A 2 -4.303 -7.861 2.016 1.00 0.00 N ATOM 54 N3 G A 2 -5.590 -7.763 0.096 1.00 0.00 N ATOM 55 C4 G A 2 -5.516 -7.488 -1.226 1.00 0.00 C ATOM 0 H5' G A 2 -10.285 -7.507 -5.236 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.508 -5.858 -4.686 1.00 0.00 H new ATOM 0 H4' G A 2 -10.709 -7.597 -2.933 1.00 0.00 H new ATOM 0 H3' G A 2 -8.742 -5.272 -2.739 1.00 0.00 H new ATOM 0 H2' G A 2 -7.997 -6.108 -0.538 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.450 -6.718 -0.234 1.00 0.00 H new ATOM 0 H1' G A 2 -7.922 -8.787 -1.189 1.00 0.00 H new ATOM 0 H8 G A 2 -6.574 -7.133 -4.208 1.00 0.00 H new ATOM 0 H1 G A 2 -2.403 -7.179 0.620 1.00 0.00 H new ATOM 0 H21 G A 2 -5.123 -8.142 2.553 1.00 0.00 H new ATOM 0 H22 G A 2 -3.401 -7.758 2.480 1.00 0.00 H new ATOM 67 P U A 3 -10.622 -3.839 -1.553 1.00 0.00 P ATOM 68 OP1 U A 3 -12.034 -3.466 -1.318 1.00 0.00 O ATOM 69 OP2 U A 3 -9.857 -3.187 -2.639 1.00 0.00 O ATOM 70 O5' U A 3 -9.812 -3.640 -0.175 1.00 0.00 O ATOM 71 C5' U A 3 -10.496 -3.708 1.079 1.00 0.00 C ATOM 72 C4' U A 3 -9.526 -3.687 2.257 1.00 0.00 C ATOM 73 O4' U A 3 -8.467 -4.630 2.089 1.00 0.00 O ATOM 74 C3' U A 3 -8.831 -2.346 2.378 1.00 0.00 C ATOM 75 O3' U A 3 -9.643 -1.477 3.171 1.00 0.00 O ATOM 76 C2' U A 3 -7.582 -2.695 3.167 1.00 0.00 C ATOM 77 O2' U A 3 -7.829 -2.671 4.579 1.00 0.00 O ATOM 78 C1' U A 3 -7.262 -4.109 2.680 1.00 0.00 C ATOM 79 N1 U A 3 -6.156 -4.081 1.706 1.00 0.00 N ATOM 80 C2 U A 3 -4.871 -4.061 2.211 1.00 0.00 C ATOM 81 O2 U A 3 -4.643 -4.076 3.418 1.00 0.00 O ATOM 82 N3 U A 3 -3.851 -4.019 1.278 1.00 0.00 N ATOM 83 C4 U A 3 -4.005 -3.998 -0.098 1.00 0.00 C ATOM 84 O4 U A 3 -3.024 -3.961 -0.837 1.00 0.00 O ATOM 85 C5 U A 3 -5.383 -4.023 -0.537 1.00 0.00 C ATOM 86 C6 U A 3 -6.398 -4.062 0.359 1.00 0.00 C ATOM 0 H5' U A 3 -11.094 -4.618 1.117 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.187 -2.869 1.162 1.00 0.00 H new ATOM 0 H4' U A 3 -10.136 -3.915 3.131 1.00 0.00 H new ATOM 0 H3' U A 3 -8.635 -1.859 1.423 1.00 0.00 H new ATOM 0 H2' U A 3 -6.765 -1.990 3.014 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.778 -2.491 4.742 1.00 0.00 H new ATOM 0 H1' U A 3 -6.938 -4.745 3.504 1.00 0.00 H new ATOM 0 H3 U A 3 -2.896 -4.002 1.637 1.00 0.00 H new ATOM 0 H5 U A 3 -5.606 -4.010 -1.594 1.00 0.00 H new ATOM 0 H6 U A 3 -7.418 -4.078 0.004 1.00 0.00 H new ATOM 97 P U A 4 -9.495 0.119 3.032 1.00 0.00 P ATOM 98 OP1 U A 4 -10.549 0.754 3.855 1.00 0.00 O ATOM 99 OP2 U A 4 -9.382 0.451 1.595 1.00 0.00 O ATOM 100 O5' U A 4 -8.072 0.402 3.730 1.00 0.00 O ATOM 101 C5' U A 4 -7.951 0.371 5.153 1.00 0.00 C ATOM 102 C4' U A 4 -6.515 0.613 5.609 1.00 0.00 C ATOM 103 O4' U A 4 -5.602 -0.307 5.011 1.00 0.00 O ATOM 104 C3' U A 4 -6.018 1.975 5.173 1.00 0.00 C ATOM 105 O3' U A 4 -6.406 2.943 6.148 1.00 0.00 O ATOM 106 C2' U A 4 -4.512 1.800 5.238 1.00 0.00 C ATOM 107 O2' U A 4 -4.013 2.033 6.560 1.00 0.00 O ATOM 108 C1' U A 4 -4.329 0.340 4.821 1.00 0.00 C ATOM 109 N1 U A 4 -3.887 0.254 3.416 1.00 0.00 N ATOM 110 C2 U A 4 -2.535 0.395 3.165 1.00 0.00 C ATOM 111 O2 U A 4 -1.720 0.574 4.067 1.00 0.00 O ATOM 112 N3 U A 4 -2.152 0.326 1.836 1.00 0.00 N ATOM 113 C4 U A 4 -2.993 0.131 0.754 1.00 0.00 C ATOM 114 O4 U A 4 -2.544 0.085 -0.389 1.00 0.00 O ATOM 115 C5 U A 4 -4.388 -0.007 1.110 1.00 0.00 C ATOM 116 C6 U A 4 -4.786 0.056 2.404 1.00 0.00 C ATOM 0 H5' U A 4 -8.292 -0.595 5.525 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.603 1.128 5.589 1.00 0.00 H new ATOM 0 H4' U A 4 -6.544 0.509 6.694 1.00 0.00 H new ATOM 0 H3' U A 4 -6.394 2.298 4.202 1.00 0.00 H new ATOM 0 H2' U A 4 -3.968 2.503 4.607 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.717 2.438 7.109 1.00 0.00 H new ATOM 0 H1' U A 4 -3.560 -0.149 5.419 1.00 0.00 H new ATOM 0 H3 U A 4 -1.157 0.428 1.636 1.00 0.00 H new ATOM 0 H5 U A 4 -5.123 -0.162 0.334 1.00 0.00 H new ATOM 0 H6 U A 4 -5.834 -0.052 2.641 1.00 0.00 H new ATOM 127 P C A 5 -6.463 4.505 5.760 1.00 0.00 P ATOM 128 OP1 C A 5 -6.917 5.260 6.949 1.00 0.00 O ATOM 129 OP2 C A 5 -7.190 4.638 4.479 1.00 0.00 O ATOM 130 O5' C A 5 -4.912 4.859 5.501 1.00 0.00 O ATOM 131 C5' C A 5 -4.075 5.270 6.584 1.00 0.00 C ATOM 132 C4' C A 5 -2.655 5.589 6.118 1.00 0.00 C ATOM 133 O4' C A 5 -2.103 4.530 5.343 1.00 0.00 O ATOM 134 C3' C A 5 -2.629 6.790 5.193 1.00 0.00 C ATOM 135 O3' C A 5 -2.499 7.975 5.981 1.00 0.00 O ATOM 136 C2' C A 5 -1.336 6.591 4.416 1.00 0.00 C ATOM 137 O2' C A 5 -0.236 7.256 5.050 1.00 0.00 O ATOM 138 C1' C A 5 -1.147 5.074 4.419 1.00 0.00 C ATOM 139 N1 C A 5 -1.344 4.540 3.061 1.00 0.00 N ATOM 140 C2 C A 5 -0.238 4.512 2.228 1.00 0.00 C ATOM 141 O2 C A 5 0.855 4.892 2.644 1.00 0.00 O ATOM 142 N3 C A 5 -0.399 4.061 0.958 1.00 0.00 N ATOM 143 C4 C A 5 -1.595 3.652 0.520 1.00 0.00 C ATOM 144 N4 C A 5 -1.716 3.222 -0.735 1.00 0.00 N ATOM 145 C5 C A 5 -2.741 3.676 1.377 1.00 0.00 C ATOM 146 C6 C A 5 -2.570 4.125 2.635 1.00 0.00 C ATOM 0 H5' C A 5 -4.042 4.482 7.336 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.506 6.149 7.062 1.00 0.00 H new ATOM 0 H4' C A 5 -2.090 5.762 7.034 1.00 0.00 H new ATOM 0 H3' C A 5 -3.517 6.880 4.567 1.00 0.00 H new ATOM 0 H2' C A 5 -1.380 7.010 3.411 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.155 8.166 4.695 1.00 0.00 H new ATOM 0 H1' C A 5 -0.138 4.800 4.726 1.00 0.00 H new ATOM 0 H41 C A 5 -2.622 2.907 -1.081 1.00 0.00 H new ATOM 0 H42 C A 5 -0.902 3.207 -1.350 1.00 0.00 H new ATOM 0 H5 C A 5 -3.708 3.346 1.027 1.00 0.00 H new ATOM 0 H6 C A 5 -3.411 4.156 3.312 1.00 0.00 H new ATOM 158 P A A 6 -2.330 9.412 5.270 1.00 0.00 P ATOM 159 OP1 A A 6 -1.548 10.286 6.173 1.00 0.00 O ATOM 160 OP2 A A 6 -3.657 9.850 4.785 1.00 0.00 O ATOM 161 O5' A A 6 -1.416 9.071 3.987 1.00 0.00 O ATOM 162 C5' A A 6 -0.731 10.111 3.286 1.00 0.00 C ATOM 163 C4' A A 6 0.086 9.565 2.112 1.00 0.00 C ATOM 164 O4' A A 6 -0.346 8.247 1.749 1.00 0.00 O ATOM 165 C3' A A 6 -0.068 10.433 0.853 1.00 0.00 C ATOM 166 O3' A A 6 1.239 10.741 0.360 1.00 0.00 O ATOM 167 C2' A A 6 -0.745 9.519 -0.160 1.00 0.00 C ATOM 168 O2' A A 6 -0.277 9.762 -1.487 1.00 0.00 O ATOM 169 C1' A A 6 -0.345 8.143 0.329 1.00 0.00 C ATOM 170 N9 A A 6 -1.294 7.124 -0.145 1.00 0.00 N ATOM 171 C8 A A 6 -2.364 6.580 0.482 1.00 0.00 C ATOM 172 N7 A A 6 -3.059 5.711 -0.175 1.00 0.00 N ATOM 173 C5 A A 6 -2.372 5.666 -1.395 1.00 0.00 C ATOM 174 C6 A A 6 -2.572 4.937 -2.573 1.00 0.00 C ATOM 175 N6 A A 6 -3.571 4.070 -2.735 1.00 0.00 N ATOM 176 N1 A A 6 -1.705 5.137 -3.581 1.00 0.00 N ATOM 177 C2 A A 6 -0.697 6.000 -3.443 1.00 0.00 C ATOM 178 N3 A A 6 -0.414 6.740 -2.376 1.00 0.00 N ATOM 179 C4 A A 6 -1.297 6.522 -1.381 1.00 0.00 C ATOM 0 H5' A A 6 -0.070 10.639 3.974 1.00 0.00 H new ATOM 0 H5'' A A 6 -1.454 10.838 2.918 1.00 0.00 H new ATOM 0 H4' A A 6 1.122 9.563 2.450 1.00 0.00 H new ATOM 0 H3' A A 6 -0.620 11.354 1.038 1.00 0.00 H new ATOM 0 H2' A A 6 -1.824 9.663 -0.221 1.00 0.00 H new ATOM 0 HO2' A A 6 -0.330 10.721 -1.682 1.00 0.00 H new ATOM 0 H1' A A 6 0.630 7.833 -0.048 1.00 0.00 H new ATOM 0 H8 A A 6 -2.626 6.861 1.491 1.00 0.00 H new ATOM 0 H61 A A 6 -3.670 3.565 -3.616 1.00 0.00 H new ATOM 0 H62 A A 6 -4.236 3.912 -1.978 1.00 0.00 H new ATOM 0 H2 A A 6 -0.038 6.109 -4.292 1.00 0.00 H new ATOM 191 P G A 7 1.484 12.054 -0.540 1.00 0.00 P ATOM 192 OP1 G A 7 2.910 12.086 -0.936 1.00 0.00 O ATOM 193 OP2 G A 7 0.888 13.213 0.159 1.00 0.00 O ATOM 194 O5' G A 7 0.603 11.752 -1.856 1.00 0.00 O ATOM 195 C5' G A 7 1.211 11.770 -3.151 1.00 0.00 C ATOM 196 C4' G A 7 0.315 11.124 -4.208 1.00 0.00 C ATOM 197 O4' G A 7 -0.421 10.033 -3.655 1.00 0.00 O ATOM 198 C3' G A 7 -0.727 12.115 -4.751 1.00 0.00 C ATOM 199 O3' G A 7 -0.557 12.214 -6.166 1.00 0.00 O ATOM 200 C2' G A 7 -2.079 11.448 -4.499 1.00 0.00 C ATOM 201 O2' G A 7 -2.947 11.589 -5.629 1.00 0.00 O ATOM 202 C1' G A 7 -1.698 9.993 -4.274 1.00 0.00 C ATOM 203 N9 G A 7 -2.687 9.279 -3.436 1.00 0.00 N ATOM 204 C8 G A 7 -3.226 8.050 -3.622 1.00 0.00 C ATOM 205 N7 G A 7 -4.085 7.632 -2.755 1.00 0.00 N ATOM 206 C5 G A 7 -4.140 8.708 -1.865 1.00 0.00 C ATOM 207 C6 G A 7 -4.911 8.870 -0.682 1.00 0.00 C ATOM 208 O6 G A 7 -5.708 8.082 -0.178 1.00 0.00 O ATOM 209 N1 G A 7 -4.672 10.099 -0.081 1.00 0.00 N ATOM 210 C2 G A 7 -3.801 11.059 -0.554 1.00 0.00 C ATOM 211 N2 G A 7 -3.708 12.177 0.166 1.00 0.00 N ATOM 212 N3 G A 7 -3.071 10.915 -1.665 1.00 0.00 N ATOM 213 C4 G A 7 -3.285 9.725 -2.272 1.00 0.00 C ATOM 0 H5' G A 7 2.165 11.244 -3.112 1.00 0.00 H new ATOM 0 H5'' G A 7 1.426 12.799 -3.437 1.00 0.00 H new ATOM 0 H4' G A 7 0.981 10.792 -5.004 1.00 0.00 H new ATOM 0 H3' G A 7 -0.642 13.100 -4.291 1.00 0.00 H new ATOM 0 H2' G A 7 -2.627 11.885 -3.664 1.00 0.00 H new ATOM 0 HO2' G A 7 -2.420 11.543 -6.454 1.00 0.00 H new ATOM 0 H1' G A 7 -1.677 9.441 -5.213 1.00 0.00 H new ATOM 0 H8 G A 7 -2.946 7.440 -4.468 1.00 0.00 H new ATOM 0 H1 G A 7 -5.181 10.309 0.778 1.00 0.00 H new ATOM 0 H21 G A 7 -3.081 12.925 -0.132 1.00 0.00 H new ATOM 0 H22 G A 7 -4.264 12.285 1.014 1.00 0.00 H new ATOM 225 P A A 8 -0.788 13.611 -6.932 1.00 0.00 P ATOM 226 OP1 A A 8 -0.037 14.662 -6.210 1.00 0.00 O ATOM 227 OP2 A A 8 -2.239 13.772 -7.169 1.00 0.00 O ATOM 228 O5' A A 8 -0.066 13.358 -8.351 1.00 0.00 O ATOM 229 C5' A A 8 -0.633 12.456 -9.310 1.00 0.00 C ATOM 230 C4' A A 8 0.392 11.423 -9.784 1.00 0.00 C ATOM 231 O4' A A 8 1.718 11.787 -9.362 1.00 0.00 O ATOM 232 C3' A A 8 0.130 10.042 -9.177 1.00 0.00 C ATOM 233 O3' A A 8 0.623 9.049 -10.084 1.00 0.00 O ATOM 234 C2' A A 8 1.023 10.044 -7.962 1.00 0.00 C ATOM 235 O2' A A 8 1.334 8.720 -7.529 1.00 0.00 O ATOM 236 C1' A A 8 2.242 10.771 -8.495 1.00 0.00 C ATOM 237 N9 A A 8 3.041 11.345 -7.397 1.00 0.00 N ATOM 238 C8 A A 8 2.658 12.144 -6.371 1.00 0.00 C ATOM 239 N7 A A 8 3.561 12.495 -5.519 1.00 0.00 N ATOM 240 C5 A A 8 4.694 11.857 -6.030 1.00 0.00 C ATOM 241 C6 A A 8 6.028 11.804 -5.606 1.00 0.00 C ATOM 242 N6 A A 8 6.471 12.435 -4.518 1.00 0.00 N ATOM 243 N1 A A 8 6.885 11.079 -6.345 1.00 0.00 N ATOM 244 C2 A A 8 6.462 10.441 -7.438 1.00 0.00 C ATOM 245 N3 A A 8 5.226 10.423 -7.930 1.00 0.00 N ATOM 246 C4 A A 8 4.386 11.154 -7.173 1.00 0.00 C ATOM 0 H5' A A 8 -1.005 13.020 -10.165 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.489 11.945 -8.869 1.00 0.00 H new ATOM 0 H4' A A 8 0.304 11.395 -10.870 1.00 0.00 H new ATOM 0 H3' A A 8 -0.920 9.843 -8.965 1.00 0.00 H new ATOM 0 H2' A A 8 0.580 10.508 -7.081 1.00 0.00 H new ATOM 0 HO2' A A 8 1.372 8.696 -6.550 1.00 0.00 H new ATOM 0 H1' A A 8 2.920 10.103 -9.027 1.00 0.00 H new ATOM 0 H8 A A 8 1.635 12.475 -6.271 1.00 0.00 H new ATOM 0 H61 A A 8 7.453 12.364 -4.252 1.00 0.00 H new ATOM 0 H62 A A 8 5.828 12.988 -3.952 1.00 0.00 H new ATOM 0 H2 A A 8 7.205 9.877 -7.983 1.00 0.00 H new ATOM 258 P A A 9 -0.086 7.604 -10.184 1.00 0.00 P ATOM 259 OP1 A A 9 -1.091 7.653 -11.270 1.00 0.00 O ATOM 260 OP2 A A 9 -0.492 7.192 -8.822 1.00 0.00 O ATOM 261 O5' A A 9 1.125 6.650 -10.660 1.00 0.00 O ATOM 262 C5' A A 9 1.751 5.745 -9.743 1.00 0.00 C ATOM 263 C4' A A 9 3.055 6.318 -9.198 1.00 0.00 C ATOM 264 O4' A A 9 2.795 7.317 -8.213 1.00 0.00 O ATOM 265 C3' A A 9 3.895 5.233 -8.518 1.00 0.00 C ATOM 266 O3' A A 9 5.229 5.320 -9.026 1.00 0.00 O ATOM 267 C2' A A 9 3.925 5.627 -7.045 1.00 0.00 C ATOM 268 O2' A A 9 5.202 5.363 -6.456 1.00 0.00 O ATOM 269 C1' A A 9 3.635 7.114 -7.082 1.00 0.00 C ATOM 270 N9 A A 9 2.979 7.547 -5.834 1.00 0.00 N ATOM 271 C8 A A 9 1.674 7.486 -5.466 1.00 0.00 C ATOM 272 N7 A A 9 1.367 7.910 -4.286 1.00 0.00 N ATOM 273 C5 A A 9 2.615 8.307 -3.798 1.00 0.00 C ATOM 274 C6 A A 9 3.024 8.860 -2.581 1.00 0.00 C ATOM 275 N6 A A 9 2.184 9.122 -1.582 1.00 0.00 N ATOM 276 N1 A A 9 4.332 9.130 -2.433 1.00 0.00 N ATOM 277 C2 A A 9 5.188 8.873 -3.421 1.00 0.00 C ATOM 278 N3 A A 9 4.911 8.351 -4.610 1.00 0.00 N ATOM 279 C4 A A 9 3.598 8.090 -4.735 1.00 0.00 C ATOM 0 H5' A A 9 1.949 4.797 -10.243 1.00 0.00 H new ATOM 0 H5'' A A 9 1.072 5.534 -8.917 1.00 0.00 H new ATOM 0 H4' A A 9 3.590 6.739 -10.049 1.00 0.00 H new ATOM 0 H3' A A 9 3.501 4.230 -8.681 1.00 0.00 H new ATOM 0 H2' A A 9 3.213 5.065 -6.441 1.00 0.00 H new ATOM 0 HO2' A A 9 5.077 4.984 -5.561 1.00 0.00 H new ATOM 0 H1' A A 9 4.548 7.704 -7.164 1.00 0.00 H new ATOM 0 H8 A A 9 0.921 7.097 -6.135 1.00 0.00 H new ATOM 0 H61 A A 9 2.535 9.526 -0.714 1.00 0.00 H new ATOM 0 H62 A A 9 1.190 8.919 -1.685 1.00 0.00 H new ATOM 0 H2 A A 9 6.223 9.117 -3.234 1.00 0.00 H new ATOM 291 P G A 10 6.212 4.044 -8.979 1.00 0.00 P ATOM 292 OP1 G A 10 7.479 4.412 -9.652 1.00 0.00 O ATOM 293 OP2 G A 10 5.452 2.859 -9.437 1.00 0.00 O ATOM 294 O5' G A 10 6.509 3.878 -7.402 1.00 0.00 O ATOM 295 C5' G A 10 7.850 3.928 -6.906 1.00 0.00 C ATOM 296 C4' G A 10 7.896 4.018 -5.380 1.00 0.00 C ATOM 297 O4' G A 10 6.882 4.893 -4.873 1.00 0.00 O ATOM 298 C3' G A 10 7.617 2.674 -4.727 1.00 0.00 C ATOM 299 O3' G A 10 8.853 1.973 -4.563 1.00 0.00 O ATOM 300 C2' G A 10 7.112 3.077 -3.356 1.00 0.00 C ATOM 301 O2' G A 10 8.192 3.339 -2.453 1.00 0.00 O ATOM 302 C1' G A 10 6.321 4.344 -3.665 1.00 0.00 C ATOM 303 N9 G A 10 4.890 4.032 -3.835 1.00 0.00 N ATOM 304 C8 G A 10 4.233 3.546 -4.919 1.00 0.00 C ATOM 305 N7 G A 10 2.964 3.343 -4.807 1.00 0.00 N ATOM 306 C5 G A 10 2.725 3.739 -3.488 1.00 0.00 C ATOM 307 C6 G A 10 1.512 3.756 -2.749 1.00 0.00 C ATOM 308 O6 G A 10 0.389 3.421 -3.119 1.00 0.00 O ATOM 309 N1 G A 10 1.709 4.224 -1.456 1.00 0.00 N ATOM 310 C2 G A 10 2.922 4.628 -0.932 1.00 0.00 C ATOM 311 N2 G A 10 2.907 5.046 0.334 1.00 0.00 N ATOM 312 N3 G A 10 4.069 4.615 -1.621 1.00 0.00 N ATOM 313 C4 G A 10 3.901 4.162 -2.885 1.00 0.00 C ATOM 0 H5' G A 10 8.363 4.789 -7.335 1.00 0.00 H new ATOM 0 H5'' G A 10 8.390 3.040 -7.233 1.00 0.00 H new ATOM 0 H4' G A 10 8.898 4.379 -5.147 1.00 0.00 H new ATOM 0 H3' G A 10 6.932 2.042 -5.292 1.00 0.00 H new ATOM 0 H2' G A 10 6.523 2.303 -2.863 1.00 0.00 H new ATOM 0 HO2' G A 10 9.025 2.983 -2.827 1.00 0.00 H new ATOM 0 H1' G A 10 6.389 5.063 -2.848 1.00 0.00 H new ATOM 0 H8 G A 10 4.754 3.337 -5.842 1.00 0.00 H new ATOM 0 H1 G A 10 0.894 4.273 -0.845 1.00 0.00 H new ATOM 0 H21 G A 10 3.771 5.357 0.779 1.00 0.00 H new ATOM 0 H22 G A 10 2.032 5.054 0.858 1.00 0.00 H new ATOM 325 P A A 11 8.861 0.374 -4.357 1.00 0.00 P ATOM 326 OP1 A A 11 10.266 -0.071 -4.230 1.00 0.00 O ATOM 327 OP2 A A 11 7.987 -0.229 -5.388 1.00 0.00 O ATOM 328 O5' A A 11 8.146 0.197 -2.923 1.00 0.00 O ATOM 329 C5' A A 11 8.896 0.356 -1.715 1.00 0.00 C ATOM 330 C4' A A 11 7.986 0.512 -0.499 1.00 0.00 C ATOM 331 O4' A A 11 6.850 1.322 -0.787 1.00 0.00 O ATOM 332 C3' A A 11 7.403 -0.818 -0.068 1.00 0.00 C ATOM 333 O3' A A 11 8.315 -1.447 0.834 1.00 0.00 O ATOM 334 C2' A A 11 6.166 -0.406 0.714 1.00 0.00 C ATOM 335 O2' A A 11 6.464 -0.232 2.104 1.00 0.00 O ATOM 336 C1' A A 11 5.760 0.919 0.060 1.00 0.00 C ATOM 337 N9 A A 11 4.513 0.754 -0.711 1.00 0.00 N ATOM 338 C8 A A 11 4.330 0.581 -2.043 1.00 0.00 C ATOM 339 N7 A A 11 3.118 0.436 -2.465 1.00 0.00 N ATOM 340 C5 A A 11 2.393 0.522 -1.273 1.00 0.00 C ATOM 341 C6 A A 11 1.025 0.450 -0.987 1.00 0.00 C ATOM 342 N6 A A 11 0.094 0.264 -1.923 1.00 0.00 N ATOM 343 N1 A A 11 0.654 0.575 0.299 1.00 0.00 N ATOM 344 C2 A A 11 1.570 0.760 1.251 1.00 0.00 C ATOM 345 N3 A A 11 2.887 0.844 1.094 1.00 0.00 N ATOM 346 C4 A A 11 3.235 0.716 -0.202 1.00 0.00 C ATOM 0 H5' A A 11 9.542 1.230 -1.800 1.00 0.00 H new ATOM 0 H5'' A A 11 9.546 -0.508 -1.574 1.00 0.00 H new ATOM 0 H4' A A 11 8.618 0.956 0.271 1.00 0.00 H new ATOM 0 H3' A A 11 7.202 -1.499 -0.895 1.00 0.00 H new ATOM 0 H2' A A 11 5.374 -1.154 0.683 1.00 0.00 H new ATOM 0 HO2' A A 11 7.340 -0.623 2.302 1.00 0.00 H new ATOM 0 H1' A A 11 5.565 1.684 0.812 1.00 0.00 H new ATOM 0 H8 A A 11 5.167 0.565 -2.726 1.00 0.00 H new ATOM 0 H61 A A 11 -0.891 0.219 -1.661 1.00 0.00 H new ATOM 0 H62 A A 11 0.367 0.167 -2.901 1.00 0.00 H new ATOM 0 H2 A A 11 1.200 0.852 2.262 1.00 0.00 H new ATOM 358 P A A 12 8.233 -3.032 1.103 1.00 0.00 P ATOM 359 OP1 A A 12 9.505 -3.460 1.727 1.00 0.00 O ATOM 360 OP2 A A 12 7.762 -3.690 -0.136 1.00 0.00 O ATOM 361 O5' A A 12 7.066 -3.145 2.208 1.00 0.00 O ATOM 362 C5' A A 12 7.385 -3.088 3.601 1.00 0.00 C ATOM 363 C4' A A 12 6.151 -3.297 4.477 1.00 0.00 C ATOM 364 O4' A A 12 5.085 -2.417 4.108 1.00 0.00 O ATOM 365 C3' A A 12 5.582 -4.692 4.310 1.00 0.00 C ATOM 366 O3' A A 12 6.223 -5.568 5.243 1.00 0.00 O ATOM 367 C2' A A 12 4.137 -4.509 4.736 1.00 0.00 C ATOM 368 O2' A A 12 3.994 -4.599 6.159 1.00 0.00 O ATOM 369 C1' A A 12 3.824 -3.103 4.231 1.00 0.00 C ATOM 370 N9 A A 12 3.120 -3.162 2.935 1.00 0.00 N ATOM 371 C8 A A 12 3.619 -3.111 1.676 1.00 0.00 C ATOM 372 N7 A A 12 2.779 -3.192 0.697 1.00 0.00 N ATOM 373 C5 A A 12 1.564 -3.313 1.378 1.00 0.00 C ATOM 374 C6 A A 12 0.241 -3.443 0.941 1.00 0.00 C ATOM 375 N6 A A 12 -0.101 -3.474 -0.347 1.00 0.00 N ATOM 376 N1 A A 12 -0.715 -3.538 1.881 1.00 0.00 N ATOM 377 C2 A A 12 -0.394 -3.508 3.176 1.00 0.00 C ATOM 378 N3 A A 12 0.822 -3.389 3.700 1.00 0.00 N ATOM 379 C4 A A 12 1.763 -3.294 2.740 1.00 0.00 C ATOM 0 H5' A A 12 7.834 -2.122 3.831 1.00 0.00 H new ATOM 0 H5'' A A 12 8.129 -3.849 3.834 1.00 0.00 H new ATOM 0 H4' A A 12 6.490 -3.115 5.497 1.00 0.00 H new ATOM 0 H3' A A 12 5.706 -5.104 3.308 1.00 0.00 H new ATOM 0 H2' A A 12 3.467 -5.273 4.341 1.00 0.00 H new ATOM 0 HO2' A A 12 4.803 -4.996 6.545 1.00 0.00 H new ATOM 0 H1' A A 12 3.166 -2.574 4.921 1.00 0.00 H new ATOM 0 H8 A A 12 4.679 -3.007 1.497 1.00 0.00 H new ATOM 0 H61 A A 12 -1.081 -3.570 -0.612 1.00 0.00 H new ATOM 0 H62 A A 12 0.618 -3.401 -1.067 1.00 0.00 H new ATOM 0 H2 A A 12 -1.213 -3.589 3.876 1.00 0.00 H new ATOM 391 P C A 13 6.258 -7.156 4.976 1.00 0.00 P ATOM 392 OP1 C A 13 6.883 -7.809 6.147 1.00 0.00 O ATOM 393 OP2 C A 13 6.806 -7.387 3.622 1.00 0.00 O ATOM 394 O5' C A 13 4.694 -7.545 4.958 1.00 0.00 O ATOM 395 C5' C A 13 4.017 -7.879 6.172 1.00 0.00 C ATOM 396 C4' C A 13 2.513 -8.036 5.956 1.00 0.00 C ATOM 397 O4' C A 13 1.990 -7.004 5.126 1.00 0.00 O ATOM 398 C3' C A 13 2.190 -9.320 5.217 1.00 0.00 C ATOM 399 O3' C A 13 2.027 -10.371 6.174 1.00 0.00 O ATOM 400 C2' C A 13 0.833 -9.026 4.594 1.00 0.00 C ATOM 401 O2' C A 13 -0.237 -9.431 5.456 1.00 0.00 O ATOM 402 C1' C A 13 0.852 -7.506 4.405 1.00 0.00 C ATOM 403 N1 C A 13 0.930 -7.163 2.973 1.00 0.00 N ATOM 404 C2 C A 13 -0.259 -7.129 2.265 1.00 0.00 C ATOM 405 O2 C A 13 -1.321 -7.373 2.834 1.00 0.00 O ATOM 406 N3 C A 13 -0.212 -6.824 0.941 1.00 0.00 N ATOM 407 C4 C A 13 0.951 -6.562 0.335 1.00 0.00 C ATOM 408 N4 C A 13 0.955 -6.266 -0.965 1.00 0.00 N ATOM 409 C5 C A 13 2.182 -6.595 1.061 1.00 0.00 C ATOM 410 C6 C A 13 2.126 -6.899 2.372 1.00 0.00 C ATOM 0 H5' C A 13 4.199 -7.103 6.915 1.00 0.00 H new ATOM 0 H5'' C A 13 4.426 -8.806 6.573 1.00 0.00 H new ATOM 0 H4' C A 13 2.078 -8.015 6.955 1.00 0.00 H new ATOM 0 H3' C A 13 2.954 -9.614 4.497 1.00 0.00 H new ATOM 0 H2' C A 13 0.668 -9.568 3.663 1.00 0.00 H new ATOM 0 HO2' C A 13 0.116 -10.003 6.169 1.00 0.00 H new ATOM 0 H1' C A 13 -0.064 -7.054 4.786 1.00 0.00 H new ATOM 0 H41 C A 13 1.835 -6.064 -1.439 1.00 0.00 H new ATOM 0 H42 C A 13 0.078 -6.241 -1.485 1.00 0.00 H new ATOM 0 H5 C A 13 3.123 -6.384 0.576 1.00 0.00 H new ATOM 0 H6 C A 13 3.036 -6.934 2.953 1.00 0.00 H new ATOM 422 P C A 14 2.337 -11.898 5.765 1.00 0.00 P ATOM 423 OP1 C A 14 2.546 -12.677 7.006 1.00 0.00 O ATOM 424 OP2 C A 14 3.376 -11.893 4.712 1.00 0.00 O ATOM 425 O5' C A 14 0.949 -12.376 5.102 1.00 0.00 O ATOM 426 C5' C A 14 -0.072 -12.966 5.912 1.00 0.00 C ATOM 427 C4' C A 14 -1.385 -13.108 5.148 1.00 0.00 C ATOM 428 O4' C A 14 -1.687 -11.925 4.409 1.00 0.00 O ATOM 429 C3' C A 14 -1.300 -14.222 4.120 1.00 0.00 C ATOM 430 O3' C A 14 -1.615 -15.493 4.696 1.00 0.00 O ATOM 431 C2' C A 14 -2.341 -13.801 3.096 1.00 0.00 C ATOM 432 O2' C A 14 -3.638 -14.302 3.433 1.00 0.00 O ATOM 433 C1' C A 14 -2.300 -12.274 3.160 1.00 0.00 C ATOM 434 N1 C A 14 -1.538 -11.720 2.027 1.00 0.00 N ATOM 435 C2 C A 14 -2.223 -11.513 0.842 1.00 0.00 C ATOM 436 O2 C A 14 -3.415 -11.800 0.763 1.00 0.00 O ATOM 437 N3 C A 14 -1.543 -10.992 -0.214 1.00 0.00 N ATOM 438 C4 C A 14 -0.243 -10.686 -0.113 1.00 0.00 C ATOM 439 N4 C A 14 0.392 -10.175 -1.168 1.00 0.00 N ATOM 440 C5 C A 14 0.469 -10.899 1.109 1.00 0.00 C ATOM 441 C6 C A 14 -0.214 -11.416 2.149 1.00 0.00 C ATOM 0 H5' C A 14 -0.232 -12.354 6.800 1.00 0.00 H new ATOM 0 H5'' C A 14 0.257 -13.947 6.256 1.00 0.00 H new ATOM 0 H4' C A 14 -2.148 -13.312 5.899 1.00 0.00 H new ATOM 0 H3' C A 14 -0.303 -14.349 3.699 1.00 0.00 H new ATOM 0 H2' C A 14 -2.137 -14.191 2.099 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.545 -15.102 3.991 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.553 -16.188 4.008 1.00 0.00 H new ATOM 0 H1' C A 14 -3.305 -11.858 3.094 1.00 0.00 H new ATOM 0 H41 C A 14 1.382 -9.938 -1.102 1.00 0.00 H new ATOM 0 H42 C A 14 -0.112 -10.021 -2.041 1.00 0.00 H new ATOM 0 H5 C A 14 1.517 -10.654 1.195 1.00 0.00 H new ATOM 0 H6 C A 14 0.291 -11.591 3.087 1.00 0.00 H new TER 454 C A 14