USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 155 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 180:sc= -0.187 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00468 USER MOD Single : A 2 G O2' : rot 180:sc= -0.0507 USER MOD Single : A 3 C O2' : rot -21:sc= 0.0466 USER MOD Single : A 4 G O2' : rot -17:sc= -0.158 USER MOD Single : A 5 C O2' : rot 180:sc= -0.13 USER MOD Single : A 6 A O2' : rot 75:sc= -0.585 USER MOD Single : A 7 U O2' : rot 23:sc= 0.0662 USER MOD Single : A 8 C O2' : rot 180:sc= -0.398 USER MOD Single : A 9 G O2' : rot 20:sc= 0.176 USER MOD Single : A 10 G O2' : rot 3:sc= -0.025 USER MOD Single : A 11 C O2' : rot -18:sc= 0.0801 USER MOD Single : A 12 G O2' : rot -16:sc= 0.0588 USER MOD Single : A 13 C O2' : rot 180:sc= 0 USER MOD Single : A 14 C O2' : rot -18:sc= 0.12 USER MOD Single : A 14 C O3' : rot 180:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 7.563 -8.338 -9.422 1.00 0.00 O ATOM 2 C5' G A 1 8.643 -9.235 -9.242 1.00 0.00 C ATOM 3 C4' G A 1 9.491 -8.833 -8.038 1.00 0.00 C ATOM 4 O4' G A 1 10.207 -7.627 -8.272 1.00 0.00 O ATOM 5 C3' G A 1 8.681 -8.596 -6.765 1.00 0.00 C ATOM 6 O3' G A 1 8.291 -9.792 -6.117 1.00 0.00 O ATOM 7 C2' G A 1 9.702 -7.798 -5.963 1.00 0.00 C ATOM 8 O2' G A 1 10.723 -8.640 -5.453 1.00 0.00 O ATOM 9 C1' G A 1 10.310 -6.913 -7.045 1.00 0.00 C ATOM 10 N9 G A 1 9.554 -5.647 -7.137 1.00 0.00 N ATOM 11 C8 G A 1 8.420 -5.370 -7.859 1.00 0.00 C ATOM 12 N7 G A 1 7.988 -4.149 -7.718 1.00 0.00 N ATOM 13 C5 G A 1 8.907 -3.564 -6.848 1.00 0.00 C ATOM 14 C6 G A 1 8.969 -2.235 -6.333 1.00 0.00 C ATOM 15 O6 G A 1 8.215 -1.287 -6.547 1.00 0.00 O ATOM 16 N1 G A 1 10.052 -2.064 -5.483 1.00 0.00 N ATOM 17 C2 G A 1 10.968 -3.038 -5.172 1.00 0.00 C ATOM 18 N2 G A 1 11.949 -2.692 -4.343 1.00 0.00 N ATOM 19 N3 G A 1 10.921 -4.285 -5.650 1.00 0.00 N ATOM 20 C4 G A 1 9.866 -4.476 -6.483 1.00 0.00 C ATOM 0 H5' G A 1 9.262 -9.250 -10.139 1.00 0.00 H new ATOM 0 H5'' G A 1 8.261 -10.246 -9.102 1.00 0.00 H new ATOM 0 H4' G A 1 10.160 -9.683 -7.900 1.00 0.00 H new ATOM 0 H3' G A 1 7.722 -8.102 -6.921 1.00 0.00 H new ATOM 0 H2' G A 1 9.266 -7.276 -5.111 1.00 0.00 H new ATOM 0 HO2' G A 1 11.366 -8.103 -4.944 1.00 0.00 H new ATOM 0 HO5' G A 1 7.035 -8.614 -10.200 1.00 0.00 H new ATOM 0 H1' G A 1 11.349 -6.675 -6.818 1.00 0.00 H new ATOM 0 H8 G A 1 7.930 -6.099 -8.488 1.00 0.00 H new ATOM 0 H1 G A 1 10.177 -1.146 -5.057 1.00 0.00 H new ATOM 0 H21 G A 1 12.658 -3.376 -4.078 1.00 0.00 H new ATOM 0 H22 G A 1 11.993 -1.743 -3.973 1.00 0.00 H new ATOM 33 P G A 2 7.089 -9.805 -5.047 1.00 0.00 P ATOM 34 OP1 G A 2 5.952 -9.047 -5.625 1.00 0.00 O ATOM 35 OP2 G A 2 6.879 -11.203 -4.602 1.00 0.00 O ATOM 36 O5' G A 2 7.667 -8.965 -3.801 1.00 0.00 O ATOM 37 C5' G A 2 8.706 -9.483 -2.998 1.00 0.00 C ATOM 38 C4' G A 2 9.118 -8.464 -1.937 1.00 0.00 C ATOM 39 O4' G A 2 9.620 -7.256 -2.502 1.00 0.00 O ATOM 40 C3' G A 2 7.965 -8.060 -1.031 1.00 0.00 C ATOM 41 O3' G A 2 7.655 -9.034 -0.051 1.00 0.00 O ATOM 42 C2' G A 2 8.522 -6.768 -0.452 1.00 0.00 C ATOM 43 O2' G A 2 9.480 -7.047 0.546 1.00 0.00 O ATOM 44 C1' G A 2 9.252 -6.172 -1.653 1.00 0.00 C ATOM 45 N9 G A 2 8.360 -5.242 -2.368 1.00 0.00 N ATOM 46 C8 G A 2 7.360 -5.513 -3.265 1.00 0.00 C ATOM 47 N7 G A 2 6.754 -4.449 -3.721 1.00 0.00 N ATOM 48 C5 G A 2 7.393 -3.391 -3.074 1.00 0.00 C ATOM 49 C6 G A 2 7.173 -1.982 -3.150 1.00 0.00 C ATOM 50 O6 G A 2 6.351 -1.363 -3.831 1.00 0.00 O ATOM 51 N1 G A 2 8.031 -1.278 -2.320 1.00 0.00 N ATOM 52 C2 G A 2 8.996 -1.845 -1.524 1.00 0.00 C ATOM 53 N2 G A 2 9.749 -1.017 -0.802 1.00 0.00 N ATOM 54 N3 G A 2 9.211 -3.160 -1.445 1.00 0.00 N ATOM 55 C4 G A 2 8.379 -3.870 -2.246 1.00 0.00 C ATOM 0 H5' G A 2 9.564 -9.736 -3.621 1.00 0.00 H new ATOM 0 H5'' G A 2 8.378 -10.405 -2.518 1.00 0.00 H new ATOM 0 H4' G A 2 9.894 -8.977 -1.368 1.00 0.00 H new ATOM 0 H3' G A 2 7.006 -7.950 -1.536 1.00 0.00 H new ATOM 0 H2' G A 2 7.756 -6.133 -0.007 1.00 0.00 H new ATOM 0 HO2' G A 2 9.830 -6.206 0.908 1.00 0.00 H new ATOM 0 H1' G A 2 10.135 -5.616 -1.338 1.00 0.00 H new ATOM 0 H8 G A 2 7.097 -6.516 -3.568 1.00 0.00 H new ATOM 0 H1 G A 2 7.939 -0.262 -2.299 1.00 0.00 H new ATOM 0 H21 G A 2 10.479 -1.390 -0.195 1.00 0.00 H new ATOM 0 H22 G A 2 9.595 -0.010 -0.856 1.00 0.00 H new ATOM 67 P C A 3 6.220 -9.040 0.675 1.00 0.00 P ATOM 68 OP1 C A 3 5.172 -8.871 -0.362 1.00 0.00 O ATOM 69 OP2 C A 3 6.164 -10.215 1.577 1.00 0.00 O ATOM 70 O5' C A 3 6.221 -7.717 1.594 1.00 0.00 O ATOM 71 C5' C A 3 7.041 -7.624 2.741 1.00 0.00 C ATOM 72 C4' C A 3 6.921 -6.246 3.387 1.00 0.00 C ATOM 73 O4' C A 3 7.437 -5.221 2.542 1.00 0.00 O ATOM 74 C3' C A 3 5.483 -5.847 3.698 1.00 0.00 C ATOM 75 O3' C A 3 4.959 -6.454 4.864 1.00 0.00 O ATOM 76 C2' C A 3 5.671 -4.342 3.862 1.00 0.00 C ATOM 77 O2' C A 3 6.294 -4.026 5.094 1.00 0.00 O ATOM 78 C1' C A 3 6.666 -4.043 2.738 1.00 0.00 C ATOM 79 N1 C A 3 5.938 -3.671 1.502 1.00 0.00 N ATOM 80 C2 C A 3 5.717 -2.320 1.276 1.00 0.00 C ATOM 81 O2 C A 3 6.101 -1.487 2.090 1.00 0.00 O ATOM 82 N3 C A 3 5.069 -1.928 0.151 1.00 0.00 N ATOM 83 C4 C A 3 4.639 -2.845 -0.718 1.00 0.00 C ATOM 84 N4 C A 3 4.004 -2.428 -1.810 1.00 0.00 N ATOM 85 C5 C A 3 4.847 -4.240 -0.502 1.00 0.00 C ATOM 86 C6 C A 3 5.500 -4.623 0.623 1.00 0.00 C ATOM 0 H5' C A 3 8.079 -7.812 2.467 1.00 0.00 H new ATOM 0 H5'' C A 3 6.757 -8.393 3.459 1.00 0.00 H new ATOM 0 H4' C A 3 7.493 -6.335 4.311 1.00 0.00 H new ATOM 0 H3' C A 3 4.760 -6.154 2.943 1.00 0.00 H new ATOM 0 H2' C A 3 4.732 -3.790 3.835 1.00 0.00 H new ATOM 0 HO2' C A 3 6.180 -4.772 5.719 1.00 0.00 H new ATOM 0 H1' C A 3 7.315 -3.206 2.995 1.00 0.00 H new ATOM 0 H41 C A 3 3.664 -3.106 -2.492 1.00 0.00 H new ATOM 0 H42 C A 3 3.857 -1.431 -1.965 1.00 0.00 H new ATOM 0 H5 C A 3 4.494 -4.971 -1.215 1.00 0.00 H new ATOM 0 H6 C A 3 5.673 -5.670 0.823 1.00 0.00 H new ATOM 98 P G A 4 3.370 -6.548 5.104 1.00 0.00 P ATOM 99 OP1 G A 4 2.743 -7.063 3.865 1.00 0.00 O ATOM 100 OP2 G A 4 3.137 -7.253 6.390 1.00 0.00 O ATOM 101 O5' G A 4 2.908 -5.018 5.290 1.00 0.00 O ATOM 102 C5' G A 4 3.194 -4.313 6.479 1.00 0.00 C ATOM 103 C4' G A 4 2.738 -2.858 6.363 1.00 0.00 C ATOM 104 O4' G A 4 3.405 -2.176 5.315 1.00 0.00 O ATOM 105 C3' G A 4 1.247 -2.694 6.090 1.00 0.00 C ATOM 106 O3' G A 4 0.440 -2.856 7.242 1.00 0.00 O ATOM 107 C2' G A 4 1.238 -1.256 5.579 1.00 0.00 C ATOM 108 O2' G A 4 1.403 -0.343 6.648 1.00 0.00 O ATOM 109 C1' G A 4 2.512 -1.226 4.741 1.00 0.00 C ATOM 110 N9 G A 4 2.195 -1.584 3.347 1.00 0.00 N ATOM 111 C8 G A 4 2.386 -2.760 2.664 1.00 0.00 C ATOM 112 N7 G A 4 1.957 -2.729 1.435 1.00 0.00 N ATOM 113 C5 G A 4 1.458 -1.441 1.271 1.00 0.00 C ATOM 114 C6 G A 4 0.871 -0.831 0.129 1.00 0.00 C ATOM 115 O6 G A 4 0.678 -1.315 -0.987 1.00 0.00 O ATOM 116 N1 G A 4 0.491 0.482 0.386 1.00 0.00 N ATOM 117 C2 G A 4 0.655 1.119 1.596 1.00 0.00 C ATOM 118 N2 G A 4 0.219 2.371 1.670 1.00 0.00 N ATOM 119 N3 G A 4 1.218 0.557 2.675 1.00 0.00 N ATOM 120 C4 G A 4 1.594 -0.729 2.436 1.00 0.00 C ATOM 0 H5' G A 4 4.264 -4.350 6.682 1.00 0.00 H new ATOM 0 H5'' G A 4 2.694 -4.791 7.321 1.00 0.00 H new ATOM 0 H4' G A 4 2.980 -2.438 7.339 1.00 0.00 H new ATOM 0 H3' G A 4 0.832 -3.438 5.410 1.00 0.00 H new ATOM 0 H2' G A 4 0.318 -0.989 5.059 1.00 0.00 H new ATOM 0 HO2' G A 4 1.224 -0.798 7.497 1.00 0.00 H new ATOM 0 H1' G A 4 2.964 -0.234 4.734 1.00 0.00 H new ATOM 0 H8 G A 4 2.849 -3.630 3.105 1.00 0.00 H new ATOM 0 H1 G A 4 0.061 1.009 -0.374 1.00 0.00 H new ATOM 0 H21 G A 4 0.314 2.893 2.541 1.00 0.00 H new ATOM 0 H22 G A 4 -0.210 2.810 0.856 1.00 0.00 H new ATOM 132 P C A 5 -1.127 -3.214 7.119 1.00 0.00 P ATOM 133 OP1 C A 5 -1.692 -3.245 8.487 1.00 0.00 O ATOM 134 OP2 C A 5 -1.259 -4.412 6.252 1.00 0.00 O ATOM 135 O5' C A 5 -1.778 -1.959 6.346 1.00 0.00 O ATOM 136 C5' C A 5 -1.917 -0.697 6.975 1.00 0.00 C ATOM 137 C4' C A 5 -2.597 0.286 6.027 1.00 0.00 C ATOM 138 O4' C A 5 -1.840 0.459 4.832 1.00 0.00 O ATOM 139 C3' C A 5 -3.987 -0.161 5.585 1.00 0.00 C ATOM 140 O3' C A 5 -5.010 0.114 6.532 1.00 0.00 O ATOM 141 C2' C A 5 -4.144 0.651 4.316 1.00 0.00 C ATOM 142 O2' C A 5 -4.525 1.976 4.635 1.00 0.00 O ATOM 143 C1' C A 5 -2.726 0.725 3.747 1.00 0.00 C ATOM 144 N1 C A 5 -2.560 -0.248 2.641 1.00 0.00 N ATOM 145 C2 C A 5 -3.129 0.068 1.415 1.00 0.00 C ATOM 146 O2 C A 5 -3.734 1.126 1.260 1.00 0.00 O ATOM 147 N3 C A 5 -3.005 -0.807 0.387 1.00 0.00 N ATOM 148 C4 C A 5 -2.333 -1.940 0.558 1.00 0.00 C ATOM 149 N4 C A 5 -2.246 -2.784 -0.470 1.00 0.00 N ATOM 150 C5 C A 5 -1.717 -2.272 1.803 1.00 0.00 C ATOM 151 C6 C A 5 -1.868 -1.413 2.831 1.00 0.00 C ATOM 0 H5' C A 5 -0.938 -0.316 7.266 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.503 -0.799 7.888 1.00 0.00 H new ATOM 0 H4' C A 5 -2.671 1.210 6.601 1.00 0.00 H new ATOM 0 H3' C A 5 -4.079 -1.240 5.460 1.00 0.00 H new ATOM 0 H2' C A 5 -4.884 0.215 3.644 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.624 2.496 3.810 1.00 0.00 H new ATOM 0 H1' C A 5 -2.513 1.706 3.321 1.00 0.00 H new ATOM 0 H41 C A 5 -1.736 -3.662 -0.368 1.00 0.00 H new ATOM 0 H42 C A 5 -2.689 -2.552 -1.359 1.00 0.00 H new ATOM 0 H5 C A 5 -1.148 -3.183 1.917 1.00 0.00 H new ATOM 0 H6 C A 5 -1.446 -1.643 3.798 1.00 0.00 H new ATOM 163 P A A 6 -6.447 -0.619 6.461 1.00 0.00 P ATOM 164 OP1 A A 6 -6.190 -2.073 6.361 1.00 0.00 O ATOM 165 OP2 A A 6 -7.281 -0.108 7.572 1.00 0.00 O ATOM 166 O5' A A 6 -7.094 -0.130 5.062 1.00 0.00 O ATOM 167 C5' A A 6 -7.615 1.180 4.909 1.00 0.00 C ATOM 168 C4' A A 6 -7.931 1.426 3.434 1.00 0.00 C ATOM 169 O4' A A 6 -6.858 0.942 2.634 1.00 0.00 O ATOM 170 C3' A A 6 -9.161 0.687 2.934 1.00 0.00 C ATOM 171 O3' A A 6 -10.381 1.317 3.289 1.00 0.00 O ATOM 172 C2' A A 6 -8.901 0.718 1.428 1.00 0.00 C ATOM 173 O2' A A 6 -9.307 1.956 0.875 1.00 0.00 O ATOM 174 C1' A A 6 -7.373 0.675 1.340 1.00 0.00 C ATOM 175 N9 A A 6 -6.907 -0.633 0.872 1.00 0.00 N ATOM 176 C8 A A 6 -6.350 -1.653 1.592 1.00 0.00 C ATOM 177 N7 A A 6 -6.009 -2.687 0.865 1.00 0.00 N ATOM 178 C5 A A 6 -6.389 -2.323 -0.434 1.00 0.00 C ATOM 179 C6 A A 6 -6.347 -2.973 -1.678 1.00 0.00 C ATOM 180 N6 A A 6 -5.837 -4.189 -1.858 1.00 0.00 N ATOM 181 N1 A A 6 -6.846 -2.336 -2.746 1.00 0.00 N ATOM 182 C2 A A 6 -7.361 -1.122 -2.589 1.00 0.00 C ATOM 183 N3 A A 6 -7.457 -0.396 -1.480 1.00 0.00 N ATOM 184 C4 A A 6 -6.948 -1.074 -0.427 1.00 0.00 C ATOM 0 H5' A A 6 -6.894 1.915 5.266 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.516 1.299 5.511 1.00 0.00 H new ATOM 0 H4' A A 6 -8.096 2.500 3.354 1.00 0.00 H new ATOM 0 H3' A A 6 -9.286 -0.309 3.359 1.00 0.00 H new ATOM 0 H2' A A 6 -9.426 -0.083 0.907 1.00 0.00 H new ATOM 0 HO2' A A 6 -8.655 2.649 1.110 1.00 0.00 H new ATOM 0 H1' A A 6 -7.024 1.419 0.624 1.00 0.00 H new ATOM 0 H8 A A 6 -6.205 -1.610 2.661 1.00 0.00 H new ATOM 0 H61 A A 6 -5.835 -4.609 -2.788 1.00 0.00 H new ATOM 0 H62 A A 6 -5.448 -4.701 -1.066 1.00 0.00 H new ATOM 0 H2 A A 6 -7.755 -0.663 -3.483 1.00 0.00 H new ATOM 196 P U A 7 -11.784 0.537 3.207 1.00 0.00 P ATOM 197 OP1 U A 7 -11.643 -0.753 3.917 1.00 0.00 O ATOM 198 OP2 U A 7 -12.843 1.485 3.628 1.00 0.00 O ATOM 199 O5' U A 7 -12.004 0.208 1.645 1.00 0.00 O ATOM 200 C5' U A 7 -12.355 1.214 0.718 1.00 0.00 C ATOM 201 C4' U A 7 -12.439 0.617 -0.693 1.00 0.00 C ATOM 202 O4' U A 7 -11.257 -0.151 -0.953 1.00 0.00 O ATOM 203 C3' U A 7 -13.634 -0.323 -0.822 1.00 0.00 C ATOM 204 O3' U A 7 -14.214 -0.302 -2.107 1.00 0.00 O ATOM 205 C2' U A 7 -12.996 -1.670 -0.510 1.00 0.00 C ATOM 206 O2' U A 7 -13.741 -2.779 -0.958 1.00 0.00 O ATOM 207 C1' U A 7 -11.660 -1.486 -1.223 1.00 0.00 C ATOM 208 N1 U A 7 -10.670 -2.473 -0.732 1.00 0.00 N ATOM 209 C2 U A 7 -10.107 -3.340 -1.663 1.00 0.00 C ATOM 210 O2 U A 7 -10.395 -3.326 -2.853 1.00 0.00 O ATOM 211 N3 U A 7 -9.185 -4.240 -1.162 1.00 0.00 N ATOM 212 C4 U A 7 -8.786 -4.339 0.158 1.00 0.00 C ATOM 213 O4 U A 7 -7.950 -5.177 0.484 1.00 0.00 O ATOM 214 C5 U A 7 -9.424 -3.405 1.063 1.00 0.00 C ATOM 215 C6 U A 7 -10.351 -2.527 0.602 1.00 0.00 C ATOM 0 H5' U A 7 -11.616 2.015 0.740 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.313 1.656 0.993 1.00 0.00 H new ATOM 0 H4' U A 7 -12.543 1.441 -1.399 1.00 0.00 H new ATOM 0 H3' U A 7 -14.465 -0.057 -0.169 1.00 0.00 H new ATOM 0 H2' U A 7 -12.919 -1.904 0.552 1.00 0.00 H new ATOM 0 HO2' U A 7 -14.329 -2.503 -1.692 1.00 0.00 H new ATOM 0 H1' U A 7 -11.743 -1.652 -2.297 1.00 0.00 H new ATOM 0 H3 U A 7 -8.761 -4.889 -1.825 1.00 0.00 H new ATOM 0 H5 U A 7 -9.161 -3.407 2.110 1.00 0.00 H new ATOM 0 H6 U A 7 -10.845 -1.861 1.295 1.00 0.00 H new ATOM 226 P C A 8 -14.916 1.021 -2.681 1.00 0.00 P ATOM 227 OP1 C A 8 -15.098 1.965 -1.555 1.00 0.00 O ATOM 228 OP2 C A 8 -16.096 0.608 -3.477 1.00 0.00 O ATOM 229 O5' C A 8 -13.823 1.648 -3.684 1.00 0.00 O ATOM 230 C5' C A 8 -13.811 1.281 -5.046 1.00 0.00 C ATOM 231 C4' C A 8 -12.747 2.082 -5.800 1.00 0.00 C ATOM 232 O4' C A 8 -12.939 3.479 -5.584 1.00 0.00 O ATOM 233 C3' C A 8 -11.328 1.759 -5.352 1.00 0.00 C ATOM 234 O3' C A 8 -10.788 0.640 -6.031 1.00 0.00 O ATOM 235 C2' C A 8 -10.650 3.089 -5.670 1.00 0.00 C ATOM 236 O2' C A 8 -10.385 3.300 -7.041 1.00 0.00 O ATOM 237 C1' C A 8 -11.708 4.073 -5.188 1.00 0.00 C ATOM 238 N1 C A 8 -11.710 4.276 -3.712 1.00 0.00 N ATOM 239 C2 C A 8 -12.583 5.238 -3.221 1.00 0.00 C ATOM 240 O2 C A 8 -13.304 5.882 -3.982 1.00 0.00 O ATOM 241 N3 C A 8 -12.627 5.455 -1.883 1.00 0.00 N ATOM 242 C4 C A 8 -11.845 4.763 -1.053 1.00 0.00 C ATOM 243 N4 C A 8 -11.934 4.992 0.252 1.00 0.00 N ATOM 244 C5 C A 8 -10.928 3.786 -1.547 1.00 0.00 C ATOM 245 C6 C A 8 -10.889 3.567 -2.876 1.00 0.00 C ATOM 0 H5' C A 8 -14.792 1.460 -5.487 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.609 0.214 -5.141 1.00 0.00 H new ATOM 0 H4' C A 8 -12.861 1.809 -6.849 1.00 0.00 H new ATOM 0 H3' C A 8 -11.216 1.449 -4.313 1.00 0.00 H new ATOM 0 H2' C A 8 -9.666 3.168 -5.208 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.953 4.172 -7.160 1.00 0.00 H new ATOM 0 H1' C A 8 -11.525 5.061 -5.610 1.00 0.00 H new ATOM 0 H41 C A 8 -11.344 4.473 0.902 1.00 0.00 H new ATOM 0 H42 C A 8 -12.592 5.687 0.604 1.00 0.00 H new ATOM 0 H5 C A 8 -10.284 3.238 -0.875 1.00 0.00 H new ATOM 0 H6 C A 8 -10.210 2.832 -3.282 1.00 0.00 H new ATOM 257 P G A 9 -9.317 0.088 -5.675 1.00 0.00 P ATOM 258 OP1 G A 9 -9.462 -1.276 -5.116 1.00 0.00 O ATOM 259 OP2 G A 9 -8.569 1.124 -4.932 1.00 0.00 O ATOM 260 O5' G A 9 -8.658 -0.046 -7.128 1.00 0.00 O ATOM 261 C5' G A 9 -8.673 1.046 -8.014 1.00 0.00 C ATOM 262 C4' G A 9 -7.968 0.673 -9.315 1.00 0.00 C ATOM 263 O4' G A 9 -8.783 -0.227 -10.048 1.00 0.00 O ATOM 264 C3' G A 9 -7.844 1.868 -10.246 1.00 0.00 C ATOM 265 O3' G A 9 -7.001 1.522 -11.324 1.00 0.00 O ATOM 266 C2' G A 9 -9.280 1.986 -10.740 1.00 0.00 C ATOM 267 O2' G A 9 -9.349 2.591 -12.011 1.00 0.00 O ATOM 268 C1' G A 9 -9.759 0.530 -10.741 1.00 0.00 C ATOM 269 N9 G A 9 -11.105 0.406 -10.132 1.00 0.00 N ATOM 270 C8 G A 9 -12.062 1.376 -9.957 1.00 0.00 C ATOM 271 N7 G A 9 -13.151 0.947 -9.384 1.00 0.00 N ATOM 272 C5 G A 9 -12.909 -0.402 -9.154 1.00 0.00 C ATOM 273 C6 G A 9 -13.751 -1.391 -8.563 1.00 0.00 C ATOM 274 O6 G A 9 -14.884 -1.264 -8.101 1.00 0.00 O ATOM 275 N1 G A 9 -13.138 -2.641 -8.544 1.00 0.00 N ATOM 276 C2 G A 9 -11.877 -2.903 -9.026 1.00 0.00 C ATOM 277 N2 G A 9 -11.447 -4.158 -8.920 1.00 0.00 N ATOM 278 N3 G A 9 -11.089 -1.978 -9.580 1.00 0.00 N ATOM 279 C4 G A 9 -11.660 -0.745 -9.611 1.00 0.00 C ATOM 0 H5' G A 9 -8.179 1.903 -7.556 1.00 0.00 H new ATOM 0 H5'' G A 9 -9.701 1.343 -8.220 1.00 0.00 H new ATOM 0 H4' G A 9 -6.995 0.270 -9.033 1.00 0.00 H new ATOM 0 H3' G A 9 -7.439 2.774 -9.795 1.00 0.00 H new ATOM 0 H2' G A 9 -9.904 2.628 -10.119 1.00 0.00 H new ATOM 0 HO2' G A 9 -8.475 2.532 -12.449 1.00 0.00 H new ATOM 0 H1' G A 9 -9.865 0.155 -11.759 1.00 0.00 H new ATOM 0 H8 G A 9 -11.924 2.402 -10.266 1.00 0.00 H new ATOM 0 H1 G A 9 -13.662 -3.419 -8.143 1.00 0.00 H new ATOM 0 H21 G A 9 -10.519 -4.410 -9.261 1.00 0.00 H new ATOM 0 H22 G A 9 -12.045 -4.868 -8.498 1.00 0.00 H new ATOM 291 P G A 10 -5.426 1.841 -11.284 1.00 0.00 P ATOM 292 OP1 G A 10 -4.764 1.036 -12.335 1.00 0.00 O ATOM 293 OP2 G A 10 -5.242 3.310 -11.275 1.00 0.00 O ATOM 294 O5' G A 10 -4.999 1.244 -9.843 1.00 0.00 O ATOM 295 C5' G A 10 -4.147 1.948 -8.961 1.00 0.00 C ATOM 296 C4' G A 10 -4.810 3.184 -8.341 1.00 0.00 C ATOM 297 O4' G A 10 -5.970 2.869 -7.563 1.00 0.00 O ATOM 298 C3' G A 10 -3.794 3.840 -7.414 1.00 0.00 C ATOM 299 O3' G A 10 -3.355 5.066 -7.968 1.00 0.00 O ATOM 300 C2' G A 10 -4.565 4.031 -6.118 1.00 0.00 C ATOM 301 O2' G A 10 -5.158 5.310 -6.013 1.00 0.00 O ATOM 302 C1' G A 10 -5.677 2.993 -6.181 1.00 0.00 C ATOM 303 N9 G A 10 -5.302 1.677 -5.624 1.00 0.00 N ATOM 304 C8 G A 10 -5.252 0.467 -6.274 1.00 0.00 C ATOM 305 N7 G A 10 -4.840 -0.519 -5.528 1.00 0.00 N ATOM 306 C5 G A 10 -4.617 0.073 -4.282 1.00 0.00 C ATOM 307 C6 G A 10 -4.126 -0.493 -3.063 1.00 0.00 C ATOM 308 O6 G A 10 -3.761 -1.645 -2.828 1.00 0.00 O ATOM 309 N1 G A 10 -4.081 0.438 -2.044 1.00 0.00 N ATOM 310 C2 G A 10 -4.428 1.762 -2.178 1.00 0.00 C ATOM 311 N2 G A 10 -4.329 2.518 -1.086 1.00 0.00 N ATOM 312 N3 G A 10 -4.849 2.316 -3.316 1.00 0.00 N ATOM 313 C4 G A 10 -4.921 1.413 -4.326 1.00 0.00 C ATOM 0 H5' G A 10 -3.251 2.256 -9.500 1.00 0.00 H new ATOM 0 H5'' G A 10 -3.825 1.278 -8.164 1.00 0.00 H new ATOM 0 H4' G A 10 -5.125 3.834 -9.157 1.00 0.00 H new ATOM 0 H3' G A 10 -2.889 3.252 -7.260 1.00 0.00 H new ATOM 0 H2' G A 10 -3.895 3.930 -5.264 1.00 0.00 H new ATOM 0 HO2' G A 10 -4.990 5.817 -6.835 1.00 0.00 H new ATOM 0 H1' G A 10 -6.524 3.316 -5.575 1.00 0.00 H new ATOM 0 H8 G A 10 -5.529 0.344 -7.311 1.00 0.00 H new ATOM 0 H1 G A 10 -3.768 0.121 -1.126 1.00 0.00 H new ATOM 0 H21 G A 10 -4.573 3.507 -1.127 1.00 0.00 H new ATOM 0 H22 G A 10 -4.009 2.107 -0.209 1.00 0.00 H new ATOM 325 P C A 11 -1.832 5.555 -7.812 1.00 0.00 P ATOM 326 OP1 C A 11 -1.667 6.810 -8.583 1.00 0.00 O ATOM 327 OP2 C A 11 -0.937 4.406 -8.093 1.00 0.00 O ATOM 328 O5' C A 11 -1.714 5.897 -6.248 1.00 0.00 O ATOM 329 C5' C A 11 -2.375 7.016 -5.692 1.00 0.00 C ATOM 330 C4' C A 11 -2.284 6.965 -4.173 1.00 0.00 C ATOM 331 O4' C A 11 -2.887 5.795 -3.649 1.00 0.00 O ATOM 332 C3' C A 11 -0.832 6.962 -3.688 1.00 0.00 C ATOM 333 O3' C A 11 -0.253 8.253 -3.678 1.00 0.00 O ATOM 334 C2' C A 11 -1.005 6.366 -2.302 1.00 0.00 C ATOM 335 O2' C A 11 -1.464 7.352 -1.391 1.00 0.00 O ATOM 336 C1' C A 11 -2.126 5.361 -2.517 1.00 0.00 C ATOM 337 N1 C A 11 -1.562 4.015 -2.739 1.00 0.00 N ATOM 338 C2 C A 11 -1.143 3.296 -1.620 1.00 0.00 C ATOM 339 O2 C A 11 -1.234 3.773 -0.486 1.00 0.00 O ATOM 340 N3 C A 11 -0.626 2.050 -1.791 1.00 0.00 N ATOM 341 C4 C A 11 -0.511 1.534 -3.018 1.00 0.00 C ATOM 342 N4 C A 11 0.008 0.314 -3.147 1.00 0.00 N ATOM 343 C5 C A 11 -0.929 2.249 -4.179 1.00 0.00 C ATOM 344 C6 C A 11 -1.444 3.480 -3.994 1.00 0.00 C ATOM 0 H5' C A 11 -3.420 7.025 -6.003 1.00 0.00 H new ATOM 0 H5'' C A 11 -1.925 7.937 -6.062 1.00 0.00 H new ATOM 0 H4' C A 11 -2.804 7.857 -3.824 1.00 0.00 H new ATOM 0 H3' C A 11 -0.141 6.410 -4.326 1.00 0.00 H new ATOM 0 H2' C A 11 -0.081 5.950 -1.900 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.291 8.244 -1.759 1.00 0.00 H new ATOM 0 H1' C A 11 -2.770 5.304 -1.640 1.00 0.00 H new ATOM 0 H41 C A 11 0.107 -0.103 -4.073 1.00 0.00 H new ATOM 0 H42 C A 11 0.307 -0.203 -2.320 1.00 0.00 H new ATOM 0 H5 C A 11 -0.836 1.821 -5.166 1.00 0.00 H new ATOM 0 H6 C A 11 -1.769 4.054 -4.849 1.00 0.00 H new ATOM 356 P G A 12 1.331 8.444 -3.887 1.00 0.00 P ATOM 357 OP1 G A 12 1.604 9.900 -3.962 1.00 0.00 O ATOM 358 OP2 G A 12 1.766 7.571 -5.005 1.00 0.00 O ATOM 359 O5' G A 12 1.997 7.904 -2.524 1.00 0.00 O ATOM 360 C5' G A 12 1.873 8.625 -1.309 1.00 0.00 C ATOM 361 C4' G A 12 2.722 7.955 -0.230 1.00 0.00 C ATOM 362 O4' G A 12 2.194 6.702 0.172 1.00 0.00 O ATOM 363 C3' G A 12 4.146 7.685 -0.704 1.00 0.00 C ATOM 364 O3' G A 12 4.963 8.837 -0.669 1.00 0.00 O ATOM 365 C2' G A 12 4.568 6.637 0.318 1.00 0.00 C ATOM 366 O2' G A 12 4.887 7.246 1.558 1.00 0.00 O ATOM 367 C1' G A 12 3.273 5.835 0.482 1.00 0.00 C ATOM 368 N9 G A 12 3.257 4.675 -0.431 1.00 0.00 N ATOM 369 C8 G A 12 2.916 4.618 -1.762 1.00 0.00 C ATOM 370 N7 G A 12 2.966 3.421 -2.278 1.00 0.00 N ATOM 371 C5 G A 12 3.411 2.628 -1.221 1.00 0.00 C ATOM 372 C6 G A 12 3.680 1.229 -1.177 1.00 0.00 C ATOM 373 O6 G A 12 3.534 0.387 -2.063 1.00 0.00 O ATOM 374 N1 G A 12 4.170 0.833 0.060 1.00 0.00 N ATOM 375 C2 G A 12 4.345 1.672 1.133 1.00 0.00 C ATOM 376 N2 G A 12 4.824 1.129 2.250 1.00 0.00 N ATOM 377 N3 G A 12 4.061 2.979 1.114 1.00 0.00 N ATOM 378 C4 G A 12 3.602 3.388 -0.095 1.00 0.00 C ATOM 0 H5' G A 12 0.829 8.657 -0.998 1.00 0.00 H new ATOM 0 H5'' G A 12 2.195 9.657 -1.451 1.00 0.00 H new ATOM 0 H4' G A 12 2.716 8.660 0.601 1.00 0.00 H new ATOM 0 H3' G A 12 4.227 7.370 -1.744 1.00 0.00 H new ATOM 0 H2' G A 12 5.441 6.059 0.016 1.00 0.00 H new ATOM 0 HO2' G A 12 5.019 8.208 1.426 1.00 0.00 H new ATOM 0 H1' G A 12 3.193 5.458 1.502 1.00 0.00 H new ATOM 0 H8 G A 12 2.631 5.490 -2.332 1.00 0.00 H new ATOM 0 H1 G A 12 4.417 -0.149 0.180 1.00 0.00 H new ATOM 0 H21 G A 12 4.973 1.709 3.076 1.00 0.00 H new ATOM 0 H22 G A 12 5.042 0.133 2.280 1.00 0.00 H new ATOM 390 P C A 13 6.224 8.979 -1.651 1.00 0.00 P ATOM 391 OP1 C A 13 6.891 10.267 -1.363 1.00 0.00 O ATOM 392 OP2 C A 13 5.768 8.700 -3.029 1.00 0.00 O ATOM 393 O5' C A 13 7.219 7.798 -1.198 1.00 0.00 O ATOM 394 C5' C A 13 7.923 7.857 0.029 1.00 0.00 C ATOM 395 C4' C A 13 8.843 6.649 0.168 1.00 0.00 C ATOM 396 O4' C A 13 8.119 5.445 0.372 1.00 0.00 O ATOM 397 C3' C A 13 9.716 6.409 -1.058 1.00 0.00 C ATOM 398 O3' C A 13 10.817 7.295 -1.143 1.00 0.00 O ATOM 399 C2' C A 13 10.123 4.961 -0.820 1.00 0.00 C ATOM 400 O2' C A 13 11.138 4.875 0.158 1.00 0.00 O ATOM 401 C1' C A 13 8.851 4.367 -0.208 1.00 0.00 C ATOM 402 N1 C A 13 8.034 3.679 -1.239 1.00 0.00 N ATOM 403 C2 C A 13 8.148 2.295 -1.334 1.00 0.00 C ATOM 404 O2 C A 13 8.913 1.673 -0.601 1.00 0.00 O ATOM 405 N3 C A 13 7.398 1.634 -2.253 1.00 0.00 N ATOM 406 C4 C A 13 6.570 2.301 -3.058 1.00 0.00 C ATOM 407 N4 C A 13 5.839 1.607 -3.927 1.00 0.00 N ATOM 408 C5 C A 13 6.451 3.723 -2.995 1.00 0.00 C ATOM 409 C6 C A 13 7.198 4.368 -2.073 1.00 0.00 C ATOM 0 H5' C A 13 7.218 7.884 0.860 1.00 0.00 H new ATOM 0 H5'' C A 13 8.508 8.776 0.077 1.00 0.00 H new ATOM 0 H4' C A 13 9.463 6.894 1.030 1.00 0.00 H new ATOM 0 H3' C A 13 9.217 6.586 -2.011 1.00 0.00 H new ATOM 0 H2' C A 13 10.489 4.476 -1.725 1.00 0.00 H new ATOM 0 HO2' C A 13 11.382 3.936 0.295 1.00 0.00 H new ATOM 0 H1' C A 13 9.106 3.622 0.545 1.00 0.00 H new ATOM 0 H41 C A 13 5.197 2.091 -4.555 1.00 0.00 H new ATOM 0 H42 C A 13 5.920 0.591 -3.965 1.00 0.00 H new ATOM 0 H5 C A 13 5.790 4.261 -3.658 1.00 0.00 H new ATOM 0 H6 C A 13 7.134 5.443 -1.993 1.00 0.00 H new ATOM 421 P C A 14 11.586 7.555 -2.537 1.00 0.00 P ATOM 422 OP1 C A 14 10.582 7.664 -3.620 1.00 0.00 O ATOM 423 OP2 C A 14 12.551 8.656 -2.336 1.00 0.00 O ATOM 424 O5' C A 14 12.423 6.198 -2.760 1.00 0.00 O ATOM 425 C5' C A 14 13.543 5.890 -1.962 1.00 0.00 C ATOM 426 C4' C A 14 14.062 4.493 -2.302 1.00 0.00 C ATOM 427 O4' C A 14 13.111 3.489 -1.978 1.00 0.00 O ATOM 428 C3' C A 14 14.372 4.321 -3.786 1.00 0.00 C ATOM 429 O3' C A 14 15.621 4.862 -4.167 1.00 0.00 O ATOM 430 C2' C A 14 14.358 2.801 -3.885 1.00 0.00 C ATOM 431 O2' C A 14 15.576 2.258 -3.409 1.00 0.00 O ATOM 432 C1' C A 14 13.240 2.421 -2.907 1.00 0.00 C ATOM 433 N1 C A 14 11.967 2.221 -3.643 1.00 0.00 N ATOM 434 C2 C A 14 11.550 0.917 -3.877 1.00 0.00 C ATOM 435 O2 C A 14 12.210 -0.036 -3.473 1.00 0.00 O ATOM 436 N3 C A 14 10.394 0.709 -4.562 1.00 0.00 N ATOM 437 C4 C A 14 9.675 1.744 -5.000 1.00 0.00 C ATOM 438 N4 C A 14 8.557 1.500 -5.680 1.00 0.00 N ATOM 439 C5 C A 14 10.076 3.094 -4.761 1.00 0.00 C ATOM 440 C6 C A 14 11.227 3.285 -4.081 1.00 0.00 C ATOM 0 H5' C A 14 13.272 5.939 -0.907 1.00 0.00 H new ATOM 0 H5'' C A 14 14.329 6.628 -2.124 1.00 0.00 H new ATOM 0 H4' C A 14 14.972 4.386 -1.712 1.00 0.00 H new ATOM 0 H3' C A 14 13.678 4.841 -4.446 1.00 0.00 H new ATOM 0 H2' C A 14 14.220 2.441 -4.905 1.00 0.00 H new ATOM 0 HO2' C A 14 16.261 2.959 -3.388 1.00 0.00 H new ATOM 0 HO3' C A 14 15.761 4.718 -5.126 1.00 0.00 H new ATOM 0 H1' C A 14 13.476 1.491 -2.390 1.00 0.00 H new ATOM 0 H41 C A 14 7.991 2.275 -6.025 1.00 0.00 H new ATOM 0 H42 C A 14 8.267 0.538 -5.856 1.00 0.00 H new ATOM 0 H5 C A 14 9.484 3.927 -5.110 1.00 0.00 H new ATOM 0 H6 C A 14 11.568 4.290 -3.880 1.00 0.00 H new TER 453 C A 14