USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.321 (180deg=-1.77) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 24:sc= 0.0664 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.194 (180deg=-1.25) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.554 (180deg=-2.56!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.686 -8.272 -1.762 1.00 0.00 O ATOM 2 C5' DG A 1 1.932 -8.592 -2.371 1.00 0.00 C ATOM 3 C4' DG A 1 3.139 -7.874 -1.739 1.00 0.00 C ATOM 4 O4' DG A 1 3.077 -6.478 -2.025 1.00 0.00 O ATOM 5 C3' DG A 1 3.244 -8.039 -0.217 1.00 0.00 C ATOM 6 O3' DG A 1 4.600 -8.231 0.146 1.00 0.00 O ATOM 7 C2' DG A 1 2.687 -6.720 0.260 1.00 0.00 C ATOM 8 C1' DG A 1 3.159 -5.751 -0.809 1.00 0.00 C ATOM 9 N9 DG A 1 2.284 -4.561 -0.839 1.00 0.00 N ATOM 10 C8 DG A 1 0.929 -4.518 -1.027 1.00 0.00 C ATOM 11 N7 DG A 1 0.416 -3.319 -0.986 1.00 0.00 N ATOM 12 C5 DG A 1 1.515 -2.500 -0.711 1.00 0.00 C ATOM 13 C6 DG A 1 1.623 -1.077 -0.533 1.00 0.00 C ATOM 14 O6 DG A 1 0.761 -0.204 -0.623 1.00 0.00 O ATOM 15 N1 DG A 1 2.910 -0.665 -0.237 1.00 0.00 N ATOM 16 C2 DG A 1 3.977 -1.505 -0.128 1.00 0.00 C ATOM 17 N2 DG A 1 5.134 -0.975 0.186 1.00 0.00 N ATOM 18 N3 DG A 1 3.919 -2.824 -0.301 1.00 0.00 N ATOM 19 C4 DG A 1 2.659 -3.262 -0.594 1.00 0.00 C ATOM 0 H5' DG A 1 1.884 -8.337 -3.430 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.089 -9.669 -2.309 1.00 0.00 H new ATOM 0 H4' DG A 1 4.018 -8.343 -2.180 1.00 0.00 H new ATOM 0 H3' DG A 1 2.719 -8.895 0.207 1.00 0.00 H new ATOM 0 H2' DG A 1 1.600 -6.743 0.334 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.068 -6.452 1.246 1.00 0.00 H new ATOM 0 HO5' DG A 1 -0.034 -8.761 -2.213 1.00 0.00 H new ATOM 0 H1' DG A 1 4.170 -5.388 -0.627 1.00 0.00 H new ATOM 0 H8 DG A 1 0.334 -5.403 -1.195 1.00 0.00 H new ATOM 0 H1 DG A 1 3.070 0.332 -0.091 1.00 0.00 H new ATOM 0 H21 DG A 1 5.959 -1.568 0.278 1.00 0.00 H new ATOM 0 H22 DG A 1 5.210 0.031 0.338 1.00 0.00 H new ATOM 32 P DT A 2 5.052 -8.509 1.673 1.00 0.00 P ATOM 33 OP1 DT A 2 6.157 -9.490 1.645 1.00 0.00 O ATOM 34 OP2 DT A 2 3.835 -8.778 2.469 1.00 0.00 O ATOM 35 O5' DT A 2 5.645 -7.077 2.123 1.00 0.00 O ATOM 36 C5' DT A 2 6.839 -6.575 1.542 1.00 0.00 C ATOM 37 C4' DT A 2 7.356 -5.300 2.224 1.00 0.00 C ATOM 38 O4' DT A 2 6.433 -4.235 2.039 1.00 0.00 O ATOM 39 C3' DT A 2 7.608 -5.460 3.728 1.00 0.00 C ATOM 40 O3' DT A 2 8.801 -4.766 4.062 1.00 0.00 O ATOM 41 C2' DT A 2 6.367 -4.821 4.328 1.00 0.00 C ATOM 42 C1' DT A 2 6.068 -3.720 3.310 1.00 0.00 C ATOM 43 N1 DT A 2 4.643 -3.291 3.266 1.00 0.00 N ATOM 44 C2 DT A 2 4.370 -1.920 3.287 1.00 0.00 C ATOM 45 O2 DT A 2 5.228 -1.053 3.432 1.00 0.00 O ATOM 46 N3 DT A 2 3.055 -1.550 3.112 1.00 0.00 N ATOM 47 C4 DT A 2 1.991 -2.408 2.933 1.00 0.00 C ATOM 48 O4 DT A 2 0.879 -1.930 2.735 1.00 0.00 O ATOM 49 C5 DT A 2 2.331 -3.827 2.987 1.00 0.00 C ATOM 50 C7 DT A 2 1.245 -4.883 2.858 1.00 0.00 C ATOM 51 C6 DT A 2 3.624 -4.215 3.139 1.00 0.00 C ATOM 0 H5' DT A 2 6.662 -6.368 0.486 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.610 -7.344 1.592 1.00 0.00 H new ATOM 0 H4' DT A 2 8.314 -5.084 1.750 1.00 0.00 H new ATOM 0 H3' DT A 2 7.750 -6.481 4.081 1.00 0.00 H new ATOM 0 H2' DT A 2 5.544 -5.530 4.419 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.553 -4.419 5.324 1.00 0.00 H new ATOM 0 H1' DT A 2 6.631 -2.833 3.600 1.00 0.00 H new ATOM 0 H3 DT A 2 2.850 -0.551 3.115 1.00 0.00 H new ATOM 0 H71 DT A 2 0.308 -4.492 3.254 1.00 0.00 H new ATOM 0 H72 DT A 2 1.114 -5.144 1.808 1.00 0.00 H new ATOM 0 H73 DT A 2 1.533 -5.772 3.419 1.00 0.00 H new ATOM 0 H6 DT A 2 3.860 -5.269 3.161 1.00 0.00 H new ATOM 64 P DA A 3 9.461 -4.850 5.534 1.00 0.00 P ATOM 65 OP1 DA A 3 10.916 -4.626 5.391 1.00 0.00 O ATOM 66 OP2 DA A 3 8.961 -6.070 6.201 1.00 0.00 O ATOM 67 O5' DA A 3 8.818 -3.566 6.269 1.00 0.00 O ATOM 68 C5' DA A 3 9.245 -2.255 5.936 1.00 0.00 C ATOM 69 C4' DA A 3 8.567 -1.173 6.783 1.00 0.00 C ATOM 70 O4' DA A 3 7.220 -0.984 6.378 1.00 0.00 O ATOM 71 C3' DA A 3 8.571 -1.457 8.292 1.00 0.00 C ATOM 72 O3' DA A 3 9.056 -0.278 8.919 1.00 0.00 O ATOM 73 C2' DA A 3 7.097 -1.754 8.573 1.00 0.00 C ATOM 74 C1' DA A 3 6.411 -0.872 7.533 1.00 0.00 C ATOM 75 N9 DA A 3 5.035 -1.264 7.164 1.00 0.00 N ATOM 76 C8 DA A 3 4.518 -2.512 6.915 1.00 0.00 C ATOM 77 N7 DA A 3 3.284 -2.507 6.483 1.00 0.00 N ATOM 78 C5 DA A 3 2.951 -1.145 6.489 1.00 0.00 C ATOM 79 C6 DA A 3 1.787 -0.401 6.176 1.00 0.00 C ATOM 80 N6 DA A 3 0.670 -0.949 5.729 1.00 0.00 N ATOM 81 N1 DA A 3 1.762 0.933 6.324 1.00 0.00 N ATOM 82 C2 DA A 3 2.874 1.524 6.759 1.00 0.00 C ATOM 83 N3 DA A 3 4.039 0.962 7.059 1.00 0.00 N ATOM 84 C4 DA A 3 4.009 -0.387 6.908 1.00 0.00 C ATOM 0 H5' DA A 3 9.037 -2.068 4.882 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.325 -2.186 6.065 1.00 0.00 H new ATOM 0 H4' DA A 3 9.163 -0.277 6.612 1.00 0.00 H new ATOM 0 H3' DA A 3 9.195 -2.276 8.649 1.00 0.00 H new ATOM 0 H2' DA A 3 6.858 -2.809 8.440 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.811 -1.488 9.591 1.00 0.00 H new ATOM 0 H1' DA A 3 6.313 0.130 7.951 1.00 0.00 H new ATOM 0 H8 DA A 3 5.083 -3.420 7.063 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.138 -0.362 5.520 1.00 0.00 H new ATOM 0 H62 DA A 3 0.616 -1.958 5.593 1.00 0.00 H new ATOM 0 H2 DA A 3 2.821 2.596 6.883 1.00 0.00 H new ATOM 96 P DC A 4 9.269 -0.141 10.510 1.00 0.00 P ATOM 97 OP1 DC A 4 10.520 0.612 10.747 1.00 0.00 O ATOM 98 OP2 DC A 4 9.062 -1.463 11.139 1.00 0.00 O ATOM 99 O5' DC A 4 8.027 0.806 10.888 1.00 0.00 O ATOM 100 C5' DC A 4 7.978 2.155 10.441 1.00 0.00 C ATOM 101 C4' DC A 4 6.660 2.835 10.834 1.00 0.00 C ATOM 102 O4' DC A 4 5.597 2.192 10.134 1.00 0.00 O ATOM 103 C3' DC A 4 6.381 2.747 12.345 1.00 0.00 C ATOM 104 O3' DC A 4 5.832 3.948 12.860 1.00 0.00 O ATOM 105 C2' DC A 4 5.350 1.639 12.375 1.00 0.00 C ATOM 106 C1' DC A 4 4.594 1.870 11.071 1.00 0.00 C ATOM 107 N1 DC A 4 3.742 0.729 10.625 1.00 0.00 N ATOM 108 C2 DC A 4 2.554 1.008 9.944 1.00 0.00 C ATOM 109 O2 DC A 4 2.181 2.162 9.736 1.00 0.00 O ATOM 110 N3 DC A 4 1.757 -0.005 9.515 1.00 0.00 N ATOM 111 C4 DC A 4 2.076 -1.253 9.805 1.00 0.00 C ATOM 112 N4 DC A 4 1.311 -2.194 9.313 1.00 0.00 N ATOM 113 C5 DC A 4 3.206 -1.584 10.599 1.00 0.00 C ATOM 114 C6 DC A 4 4.020 -0.570 10.971 1.00 0.00 C ATOM 0 H5' DC A 4 8.094 2.184 9.358 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.815 2.710 10.866 1.00 0.00 H new ATOM 0 H4' DC A 4 6.735 3.891 10.574 1.00 0.00 H new ATOM 0 H3' DC A 4 7.273 2.573 12.947 1.00 0.00 H new ATOM 0 H2' DC A 4 5.813 0.653 12.409 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.696 1.714 13.244 1.00 0.00 H new ATOM 0 H1' DC A 4 3.859 2.665 11.196 1.00 0.00 H new ATOM 0 H41 DC A 4 1.517 -3.173 9.509 1.00 0.00 H new ATOM 0 H42 DC A 4 0.509 -1.948 8.733 1.00 0.00 H new ATOM 0 H5 DC A 4 3.407 -2.603 10.894 1.00 0.00 H new ATOM 0 H6 DC A 4 4.905 -0.786 11.551 1.00 0.00 H new HETATM 126 P NCX A 5 5.710 4.202 14.453 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.737 5.186 14.850 1.00 0.00 O HETATM 128 OP2 NCX A 5 5.611 2.892 15.150 1.00 0.00 O HETATM 129 O5' NCX A 5 4.265 4.879 14.590 1.00 0.00 O HETATM 130 C5' NCX A 5 3.866 6.028 13.868 1.00 0.00 C HETATM 131 C4' NCX A 5 2.423 6.407 14.251 1.00 0.00 C HETATM 132 O4' NCX A 5 1.507 5.395 13.839 1.00 0.00 O HETATM 133 C1' NCX A 5 0.990 4.716 14.976 1.00 0.00 C HETATM 134 N9 NCX A 5 1.154 3.242 14.813 1.00 0.00 N HETATM 135 C8 NCX A 5 2.296 2.483 15.065 1.00 0.00 C HETATM 136 C7 NCX A 5 2.016 1.136 14.950 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.985 0.046 15.171 1.00 0.00 C HETATM 138 O7 NCX A 5 2.756 -1.139 15.143 1.00 0.00 O HETATM 139 NH7 NCX A 5 4.243 0.426 15.426 1.00 0.00 N HETATM 140 C5 NCX A 5 0.622 1.070 14.667 1.00 0.00 C HETATM 141 C4 NCX A 5 0.159 2.354 14.576 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.179 2.622 14.300 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.066 1.544 14.267 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.610 0.222 14.443 1.00 0.00 C HETATM 145 N1 NCX A 5 -2.585 -0.900 14.567 1.00 0.00 N HETATM 146 O11 NCX A 5 -3.772 -0.619 14.581 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.139 -2.034 14.645 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.231 -0.025 14.543 1.00 0.00 C HETATM 149 C3' NCX A 5 2.250 6.629 15.754 1.00 0.00 C HETATM 150 C2' NCX A 5 1.692 5.288 16.212 1.00 0.00 C HETATM 151 O3' NCX A 5 1.362 7.716 15.955 1.00 0.00 O HETATM 0 HH72 NCX A 5 4.965 -0.276 15.589 1.00 0.00 H new HETATM 0 HH71 NCX A 5 4.480 1.418 15.458 1.00 0.00 H new HETATM 0 H5'' NCX A 5 4.540 6.857 14.084 1.00 0.00 H new HETATM 0 H2'' NCX A 5 0.996 5.411 17.041 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.273 2.895 15.317 1.00 0.00 H new HETATM 0 H6 NCX A 5 0.160 -1.042 14.524 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.930 5.837 12.797 1.00 0.00 H new HETATM 0 H4' NCX A 5 2.213 7.345 13.736 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.151 6.894 16.307 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.523 3.640 14.116 1.00 0.00 H new HETATM 0 H2' NCX A 5 2.486 4.626 16.558 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.128 1.728 14.103 1.00 0.00 H new HETATM 0 H1' NCX A 5 -0.082 4.874 15.094 1.00 0.00 H new ATOM 165 P DA A 6 0.985 8.278 17.423 1.00 0.00 P ATOM 166 OP1 DA A 6 0.852 9.749 17.341 1.00 0.00 O ATOM 167 OP2 DA A 6 1.883 7.664 18.424 1.00 0.00 O ATOM 168 O5' DA A 6 -0.479 7.650 17.630 1.00 0.00 O ATOM 169 C5' DA A 6 -1.553 8.026 16.785 1.00 0.00 C ATOM 170 C4' DA A 6 -2.872 7.351 17.177 1.00 0.00 C ATOM 171 O4' DA A 6 -2.752 5.941 17.030 1.00 0.00 O ATOM 172 C3' DA A 6 -3.308 7.649 18.616 1.00 0.00 C ATOM 173 O3' DA A 6 -4.724 7.771 18.632 1.00 0.00 O ATOM 174 C2' DA A 6 -2.774 6.431 19.359 1.00 0.00 C ATOM 175 C1' DA A 6 -2.844 5.323 18.303 1.00 0.00 C ATOM 176 N9 DA A 6 -1.768 4.304 18.426 1.00 0.00 N ATOM 177 C8 DA A 6 -0.460 4.454 18.828 1.00 0.00 C ATOM 178 N7 DA A 6 0.233 3.347 18.844 1.00 0.00 N ATOM 179 C5 DA A 6 -0.682 2.390 18.394 1.00 0.00 C ATOM 180 C6 DA A 6 -0.620 0.998 18.142 1.00 0.00 C ATOM 181 N6 DA A 6 0.459 0.245 18.318 1.00 0.00 N ATOM 182 N1 DA A 6 -1.692 0.353 17.675 1.00 0.00 N ATOM 183 C2 DA A 6 -2.808 1.046 17.462 1.00 0.00 C ATOM 184 N3 DA A 6 -3.012 2.343 17.662 1.00 0.00 N ATOM 185 C4 DA A 6 -1.898 2.967 18.131 1.00 0.00 C ATOM 0 H5' DA A 6 -1.308 7.767 15.755 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.678 9.108 16.821 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.631 7.760 16.511 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.941 8.573 19.063 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.755 6.588 19.711 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.380 6.194 20.233 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.784 4.789 18.445 1.00 0.00 H new ATOM 0 H8 DA A 6 -0.041 5.409 19.107 1.00 0.00 H new ATOM 0 H61 DA A 6 0.423 -0.754 18.113 1.00 0.00 H new ATOM 0 H62 DA A 6 1.324 0.665 18.658 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.649 0.486 17.081 1.00 0.00 H new ATOM 197 P DC A 7 -5.576 8.004 19.985 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.764 8.821 19.655 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.657 8.424 21.065 1.00 0.00 O ATOM 200 O5' DC A 7 -6.063 6.499 20.283 1.00 0.00 O ATOM 201 C5' DC A 7 -6.969 5.853 19.403 1.00 0.00 C ATOM 202 C4' DC A 7 -7.182 4.376 19.751 1.00 0.00 C ATOM 203 O4' DC A 7 -5.954 3.664 19.603 1.00 0.00 O ATOM 204 C3' DC A 7 -7.693 4.124 21.179 1.00 0.00 C ATOM 205 O3' DC A 7 -8.668 3.096 21.120 1.00 0.00 O ATOM 206 C2' DC A 7 -6.407 3.713 21.864 1.00 0.00 C ATOM 207 C1' DC A 7 -5.792 2.859 20.754 1.00 0.00 C ATOM 208 N1 DC A 7 -4.363 2.508 20.979 1.00 0.00 N ATOM 209 C2 DC A 7 -3.955 1.180 20.803 1.00 0.00 C ATOM 210 O2 DC A 7 -4.734 0.306 20.425 1.00 0.00 O ATOM 211 N3 DC A 7 -2.674 0.818 21.071 1.00 0.00 N ATOM 212 C4 DC A 7 -1.828 1.724 21.525 1.00 0.00 C ATOM 213 N4 DC A 7 -0.598 1.327 21.733 1.00 0.00 N ATOM 214 C5 DC A 7 -2.194 3.086 21.731 1.00 0.00 C ATOM 215 C6 DC A 7 -3.465 3.442 21.434 1.00 0.00 C ATOM 0 H5' DC A 7 -6.595 5.931 18.382 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.928 6.370 19.432 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.951 4.029 19.061 1.00 0.00 H new ATOM 0 H3' DC A 7 -8.184 4.950 21.693 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.783 4.566 22.131 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.582 3.148 22.779 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.276 1.885 20.685 1.00 0.00 H new ATOM 0 H41 DC A 7 0.098 1.985 22.083 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.336 0.359 21.545 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.484 3.806 22.110 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.776 4.469 21.556 1.00 0.00 H new ATOM 227 P DG A 8 -9.538 2.628 22.394 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.973 2.749 22.058 1.00 0.00 O ATOM 229 OP2 DG A 8 -9.001 3.253 23.621 1.00 0.00 O ATOM 230 O5' DG A 8 -9.159 1.070 22.425 1.00 0.00 O ATOM 231 C5' DG A 8 -9.515 0.219 21.348 1.00 0.00 C ATOM 232 C4' DG A 8 -9.244 -1.256 21.666 1.00 0.00 C ATOM 233 O4' DG A 8 -7.844 -1.475 21.689 1.00 0.00 O ATOM 234 C3' DG A 8 -9.817 -1.686 23.028 1.00 0.00 C ATOM 235 O3' DG A 8 -10.261 -3.034 23.015 1.00 0.00 O ATOM 236 C2' DG A 8 -8.610 -1.557 23.946 1.00 0.00 C ATOM 237 C1' DG A 8 -7.456 -1.868 22.992 1.00 0.00 C ATOM 238 N9 DG A 8 -6.201 -1.189 23.373 1.00 0.00 N ATOM 239 C8 DG A 8 -5.942 0.150 23.536 1.00 0.00 C ATOM 240 N7 DG A 8 -4.709 0.414 23.880 1.00 0.00 N ATOM 241 C5 DG A 8 -4.103 -0.846 23.951 1.00 0.00 C ATOM 242 C6 DG A 8 -2.759 -1.254 24.267 1.00 0.00 C ATOM 243 O6 DG A 8 -1.769 -0.576 24.540 1.00 0.00 O ATOM 244 N1 DG A 8 -2.590 -2.627 24.256 1.00 0.00 N ATOM 245 C2 DG A 8 -3.576 -3.520 23.965 1.00 0.00 C ATOM 246 N2 DG A 8 -3.261 -4.793 23.964 1.00 0.00 N ATOM 247 N3 DG A 8 -4.829 -3.184 23.671 1.00 0.00 N ATOM 248 C4 DG A 8 -5.025 -1.831 23.670 1.00 0.00 C ATOM 0 H5' DG A 8 -8.955 0.507 20.458 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.572 0.351 21.116 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.734 -1.846 20.891 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.682 -1.092 23.323 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.528 -0.558 24.375 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.653 -2.259 24.779 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.616 -3.270 23.897 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.252 -2.938 23.036 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.690 0.916 23.393 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.666 -2.995 24.481 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.971 -5.494 23.751 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.306 -5.082 24.176 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.695 -7.604 26.373 1.00 0.00 O ATOM 263 C5' DC B 9 3.773 -8.638 26.659 1.00 0.00 C ATOM 264 C4' DC B 9 2.539 -8.518 25.755 1.00 0.00 C ATOM 265 O4' DC B 9 2.041 -7.184 25.811 1.00 0.00 O ATOM 266 C3' DC B 9 2.809 -8.835 24.276 1.00 0.00 C ATOM 267 O3' DC B 9 1.741 -9.655 23.832 1.00 0.00 O ATOM 268 C2' DC B 9 2.797 -7.449 23.643 1.00 0.00 C ATOM 269 C1' DC B 9 1.706 -6.797 24.490 1.00 0.00 C ATOM 270 N1 DC B 9 1.575 -5.312 24.404 1.00 0.00 N ATOM 271 C2 DC B 9 0.289 -4.768 24.521 1.00 0.00 C ATOM 272 O2 DC B 9 -0.708 -5.481 24.617 1.00 0.00 O ATOM 273 N3 DC B 9 0.107 -3.425 24.531 1.00 0.00 N ATOM 274 C4 DC B 9 1.150 -2.629 24.377 1.00 0.00 C ATOM 275 N4 DC B 9 0.906 -1.342 24.394 1.00 0.00 N ATOM 276 C5 DC B 9 2.484 -3.122 24.243 1.00 0.00 C ATOM 277 C6 DC B 9 2.658 -4.468 24.262 1.00 0.00 C ATOM 0 H5' DC B 9 3.472 -8.586 27.705 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.247 -9.608 26.511 1.00 0.00 H new ATOM 0 H4' DC B 9 1.828 -9.253 26.132 1.00 0.00 H new ATOM 0 H3' DC B 9 3.733 -9.365 24.045 1.00 0.00 H new ATOM 0 H2' DC B 9 3.757 -6.940 23.731 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.546 -7.474 22.583 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.221 -6.844 25.974 1.00 0.00 H new ATOM 0 H1' DC B 9 0.733 -7.129 24.129 1.00 0.00 H new ATOM 0 H41 DC B 9 1.670 -0.676 24.280 1.00 0.00 H new ATOM 0 H42 DC B 9 -0.048 -1.006 24.521 1.00 0.00 H new ATOM 0 H5 DC B 9 3.322 -2.450 24.131 1.00 0.00 H new ATOM 0 H6 DC B 9 3.651 -4.882 24.165 1.00 0.00 H new ATOM 290 P DG B 10 1.682 -10.293 22.353 1.00 0.00 P ATOM 291 OP1 DG B 10 1.353 -11.727 22.492 1.00 0.00 O ATOM 292 OP2 DG B 10 2.891 -9.875 21.611 1.00 0.00 O ATOM 293 O5' DG B 10 0.405 -9.524 21.736 1.00 0.00 O ATOM 294 C5' DG B 10 -0.908 -9.821 22.193 1.00 0.00 C ATOM 295 C4' DG B 10 -2.014 -9.152 21.361 1.00 0.00 C ATOM 296 O4' DG B 10 -2.071 -7.773 21.690 1.00 0.00 O ATOM 297 C3' DG B 10 -1.832 -9.281 19.843 1.00 0.00 C ATOM 298 O3' DG B 10 -3.108 -9.444 19.236 1.00 0.00 O ATOM 299 C2' DG B 10 -1.204 -7.940 19.508 1.00 0.00 C ATOM 300 C1' DG B 10 -1.911 -7.023 20.503 1.00 0.00 C ATOM 301 N9 DG B 10 -1.143 -5.801 20.797 1.00 0.00 N ATOM 302 C8 DG B 10 0.193 -5.675 21.072 1.00 0.00 C ATOM 303 N7 DG B 10 0.585 -4.445 21.268 1.00 0.00 N ATOM 304 C5 DG B 10 -0.584 -3.695 21.100 1.00 0.00 C ATOM 305 C6 DG B 10 -0.833 -2.280 21.158 1.00 0.00 C ATOM 306 O6 DG B 10 -0.056 -1.353 21.380 1.00 0.00 O ATOM 307 N1 DG B 10 -2.157 -1.950 20.924 1.00 0.00 N ATOM 308 C2 DG B 10 -3.138 -2.855 20.659 1.00 0.00 C ATOM 309 N2 DG B 10 -4.345 -2.394 20.437 1.00 0.00 N ATOM 310 N3 DG B 10 -2.944 -4.170 20.582 1.00 0.00 N ATOM 311 C4 DG B 10 -1.647 -4.527 20.817 1.00 0.00 C ATOM 0 H5' DG B 10 -1.003 -9.503 23.231 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.054 -10.901 22.176 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.937 -9.675 21.611 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.235 -10.127 19.504 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.123 -7.945 19.650 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.389 -7.646 18.475 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.860 -6.694 20.080 1.00 0.00 H new ATOM 0 H8 DG B 10 0.864 -6.520 21.122 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.414 -0.963 20.952 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.108 -3.040 20.235 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.521 -1.390 20.467 1.00 0.00 H new ATOM 323 P DT B 11 -3.292 -9.655 17.642 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.327 -10.692 17.441 1.00 0.00 O ATOM 325 OP2 DT B 11 -1.955 -9.815 17.031 1.00 0.00 O ATOM 326 O5' DT B 11 -3.892 -8.232 17.166 1.00 0.00 O ATOM 327 C5' DT B 11 -5.246 -7.893 17.434 1.00 0.00 C ATOM 328 C4' DT B 11 -5.687 -6.583 16.766 1.00 0.00 C ATOM 329 O4' DT B 11 -5.058 -5.504 17.440 1.00 0.00 O ATOM 330 C3' DT B 11 -5.409 -6.528 15.268 1.00 0.00 C ATOM 331 O3' DT B 11 -6.619 -6.176 14.609 1.00 0.00 O ATOM 332 C2' DT B 11 -4.401 -5.401 15.170 1.00 0.00 C ATOM 333 C1' DT B 11 -4.437 -4.659 16.498 1.00 0.00 C ATOM 334 N1 DT B 11 -3.107 -4.226 16.989 1.00 0.00 N ATOM 335 C2 DT B 11 -2.985 -2.889 17.367 1.00 0.00 C ATOM 336 O2 DT B 11 -3.919 -2.095 17.403 1.00 0.00 O ATOM 337 N3 DT B 11 -1.723 -2.459 17.690 1.00 0.00 N ATOM 338 C4 DT B 11 -0.574 -3.214 17.675 1.00 0.00 C ATOM 339 O4 DT B 11 0.479 -2.647 17.953 1.00 0.00 O ATOM 340 C5 DT B 11 -0.778 -4.626 17.329 1.00 0.00 C ATOM 341 C7 DT B 11 0.386 -5.609 17.323 1.00 0.00 C ATOM 342 C6 DT B 11 -2.021 -5.076 17.002 1.00 0.00 C ATOM 0 H5' DT B 11 -5.386 -7.808 18.512 1.00 0.00 H new ATOM 0 H5'' DT B 11 -5.891 -8.702 17.092 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.771 -6.515 16.852 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.051 -7.458 14.826 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.403 -5.792 14.973 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.649 -4.731 14.347 1.00 0.00 H new ATOM 0 H1' DT B 11 -4.995 -3.735 16.351 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.628 -1.483 17.969 1.00 0.00 H new ATOM 0 H71 DT B 11 1.306 -5.082 17.070 1.00 0.00 H new ATOM 0 H72 DT B 11 0.486 -6.060 18.310 1.00 0.00 H new ATOM 0 H73 DT B 11 0.200 -6.389 16.585 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.159 -6.117 16.748 1.00 0.00 H new ATOM 355 P DT B 12 -6.805 -6.283 13.008 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.194 -6.714 12.738 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.666 -7.041 12.445 1.00 0.00 O ATOM 358 O5' DT B 12 -6.656 -4.752 12.550 1.00 0.00 O ATOM 359 C5' DT B 12 -7.549 -3.757 13.025 1.00 0.00 C ATOM 360 C4' DT B 12 -7.237 -2.383 12.421 1.00 0.00 C ATOM 361 O4' DT B 12 -5.884 -2.055 12.714 1.00 0.00 O ATOM 362 C3' DT B 12 -7.427 -2.334 10.896 1.00 0.00 C ATOM 363 O3' DT B 12 -7.979 -1.074 10.522 1.00 0.00 O ATOM 364 C2' DT B 12 -5.987 -2.475 10.420 1.00 0.00 C ATOM 365 C1' DT B 12 -5.256 -1.681 11.504 1.00 0.00 C ATOM 366 N1 DT B 12 -3.787 -1.920 11.550 1.00 0.00 N ATOM 367 C2 DT B 12 -2.958 -0.795 11.446 1.00 0.00 C ATOM 368 O2 DT B 12 -3.365 0.354 11.330 1.00 0.00 O ATOM 369 N3 DT B 12 -1.601 -1.004 11.535 1.00 0.00 N ATOM 370 C4 DT B 12 -0.998 -2.203 11.830 1.00 0.00 C ATOM 371 O4 DT B 12 0.207 -2.214 12.055 1.00 0.00 O ATOM 372 C5 DT B 12 -1.904 -3.345 11.897 1.00 0.00 C ATOM 373 C7 DT B 12 -1.311 -4.711 12.181 1.00 0.00 C ATOM 374 C6 DT B 12 -3.251 -3.181 11.756 1.00 0.00 C ATOM 0 H5' DT B 12 -7.486 -3.700 14.112 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.573 -4.039 12.779 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.937 -1.672 12.860 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.101 -3.085 10.484 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.664 -3.515 10.379 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.836 -2.055 9.426 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.329 -0.612 11.302 1.00 0.00 H new ATOM 0 H3 DT B 12 -0.992 -0.203 11.368 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.042 -5.322 12.711 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.046 -5.195 11.241 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.418 -4.599 12.796 1.00 0.00 H new ATOM 0 H6 DT B 12 -3.904 -4.040 11.805 1.00 0.00 H new ATOM 387 P DG B 13 -8.734 -0.842 9.107 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.188 -0.764 9.366 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.206 -1.817 8.131 1.00 0.00 O ATOM 390 O5' DG B 13 -8.219 0.616 8.640 1.00 0.00 O ATOM 391 C5' DG B 13 -8.668 1.803 9.274 1.00 0.00 C ATOM 392 C4' DG B 13 -7.721 2.994 9.036 1.00 0.00 C ATOM 393 O4' DG B 13 -6.426 2.626 9.499 1.00 0.00 O ATOM 394 C3' DG B 13 -7.581 3.491 7.585 1.00 0.00 C ATOM 395 O3' DG B 13 -7.400 4.904 7.588 1.00 0.00 O ATOM 396 C2' DG B 13 -6.358 2.737 7.137 1.00 0.00 C ATOM 397 C1' DG B 13 -5.528 2.608 8.404 1.00 0.00 C ATOM 398 N9 DG B 13 -4.726 1.368 8.335 1.00 0.00 N ATOM 399 C8 DG B 13 -5.111 0.090 8.002 1.00 0.00 C ATOM 400 N7 DG B 13 -4.128 -0.761 7.917 1.00 0.00 N ATOM 401 C5 DG B 13 -3.007 0.007 8.225 1.00 0.00 C ATOM 402 C6 DG B 13 -1.629 -0.356 8.361 1.00 0.00 C ATOM 403 O6 DG B 13 -1.094 -1.456 8.244 1.00 0.00 O ATOM 404 N1 DG B 13 -0.827 0.707 8.728 1.00 0.00 N ATOM 405 C2 DG B 13 -1.273 1.981 8.910 1.00 0.00 C ATOM 406 N2 DG B 13 -0.394 2.896 9.238 1.00 0.00 N ATOM 407 N3 DG B 13 -2.538 2.361 8.760 1.00 0.00 N ATOM 408 C4 DG B 13 -3.362 1.318 8.450 1.00 0.00 C ATOM 0 H5' DG B 13 -8.761 1.626 10.345 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.662 2.054 8.905 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.173 3.825 9.578 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.438 3.321 6.933 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.617 1.761 6.728 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.818 3.276 6.358 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.821 3.429 8.523 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.141 -0.185 7.826 1.00 0.00 H new ATOM 0 H1 DG B 13 0.166 0.526 8.872 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.692 3.861 9.382 1.00 0.00 H new ATOM 0 H22 DG B 13 0.588 2.643 9.349 1.00 0.00 H new ATOM 420 P DT B 14 -7.146 5.777 6.245 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.884 7.050 6.381 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.373 4.912 5.066 1.00 0.00 O ATOM 423 O5' DT B 14 -5.563 6.101 6.328 1.00 0.00 O ATOM 424 C5' DT B 14 -5.055 6.941 7.355 1.00 0.00 C ATOM 425 C4' DT B 14 -3.551 7.234 7.236 1.00 0.00 C ATOM 426 O4' DT B 14 -2.811 6.027 7.359 1.00 0.00 O ATOM 427 C3' DT B 14 -3.136 7.922 5.927 1.00 0.00 C ATOM 428 O3' DT B 14 -2.172 8.925 6.218 1.00 0.00 O ATOM 429 C2' DT B 14 -2.558 6.766 5.131 1.00 0.00 C ATOM 430 C1' DT B 14 -1.967 5.880 6.229 1.00 0.00 C ATOM 431 N1 DT B 14 -1.897 4.442 5.858 1.00 0.00 N ATOM 432 C2 DT B 14 -0.683 3.769 6.029 1.00 0.00 C ATOM 433 O2 DT B 14 0.348 4.311 6.413 1.00 0.00 O ATOM 434 N3 DT B 14 -0.673 2.423 5.736 1.00 0.00 N ATOM 435 C4 DT B 14 -1.751 1.694 5.273 1.00 0.00 C ATOM 436 O4 DT B 14 -1.597 0.497 5.057 1.00 0.00 O ATOM 437 C5 DT B 14 -2.986 2.458 5.098 1.00 0.00 C ATOM 438 C7 DT B 14 -4.249 1.775 4.591 1.00 0.00 C ATOM 439 C6 DT B 14 -3.018 3.782 5.396 1.00 0.00 C ATOM 0 H5' DT B 14 -5.249 6.474 8.321 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.601 7.884 7.342 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.330 7.930 8.045 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.934 8.432 5.388 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.323 6.245 4.556 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.798 7.099 4.423 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.940 6.193 6.416 1.00 0.00 H new ATOM 0 H3 DT B 14 0.205 1.922 5.873 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.977 0.947 3.936 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.822 1.395 5.437 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.853 2.493 4.037 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.940 4.330 5.269 1.00 0.00 H new ATOM 452 P DA B 15 -1.536 9.877 5.075 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.164 11.164 5.700 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.430 9.857 3.897 1.00 0.00 O ATOM 455 O5' DA B 15 -0.182 9.086 4.695 1.00 0.00 O ATOM 456 C5' DA B 15 0.906 9.036 5.605 1.00 0.00 C ATOM 457 C4' DA B 15 2.103 8.255 5.051 1.00 0.00 C ATOM 458 O4' DA B 15 1.788 6.869 4.967 1.00 0.00 O ATOM 459 C3' DA B 15 2.552 8.725 3.661 1.00 0.00 C ATOM 460 O3' DA B 15 3.952 8.967 3.682 1.00 0.00 O ATOM 461 C2' DA B 15 2.176 7.537 2.790 1.00 0.00 C ATOM 462 C1' DA B 15 2.310 6.362 3.756 1.00 0.00 C ATOM 463 N9 DA B 15 1.544 5.163 3.339 1.00 0.00 N ATOM 464 C8 DA B 15 0.241 5.086 2.907 1.00 0.00 C ATOM 465 N7 DA B 15 -0.175 3.877 2.641 1.00 0.00 N ATOM 466 C5 DA B 15 0.951 3.091 2.916 1.00 0.00 C ATOM 467 C6 DA B 15 1.223 1.705 2.857 1.00 0.00 C ATOM 468 N6 DA B 15 0.325 0.787 2.536 1.00 0.00 N ATOM 469 N1 DA B 15 2.442 1.237 3.144 1.00 0.00 N ATOM 470 C2 DA B 15 3.376 2.109 3.511 1.00 0.00 C ATOM 471 N3 DA B 15 3.263 3.431 3.624 1.00 0.00 N ATOM 472 C4 DA B 15 2.008 3.865 3.319 1.00 0.00 C ATOM 0 H5' DA B 15 0.575 8.575 6.536 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.220 10.052 5.846 1.00 0.00 H new ATOM 0 H4' DA B 15 2.922 8.437 5.747 1.00 0.00 H new ATOM 0 H3' DA B 15 2.101 9.653 3.309 1.00 0.00 H new ATOM 0 H2' DA B 15 1.163 7.626 2.398 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.842 7.436 1.933 1.00 0.00 H new ATOM 0 H1' DA B 15 3.344 6.023 3.816 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.389 5.956 2.796 1.00 0.00 H new ATOM 0 H61 DA B 15 0.589 -0.198 2.512 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.631 1.065 2.312 1.00 0.00 H new ATOM 0 H2 DA B 15 4.345 1.694 3.746 1.00 0.00 H new ATOM 484 P DC B 16 4.732 9.614 2.424 1.00 0.00 P ATOM 485 OP1 DC B 16 5.868 10.416 2.925 1.00 0.00 O ATOM 486 OP2 DC B 16 3.748 10.211 1.497 1.00 0.00 O ATOM 487 O5' DC B 16 5.326 8.296 1.726 1.00 0.00 O ATOM 488 C5' DC B 16 6.433 7.616 2.290 1.00 0.00 C ATOM 489 C4' DC B 16 6.779 6.363 1.483 1.00 0.00 C ATOM 490 O4' DC B 16 5.873 5.315 1.761 1.00 0.00 O ATOM 491 C3' DC B 16 6.728 6.556 -0.034 1.00 0.00 C ATOM 492 O3' DC B 16 7.920 7.124 -0.544 1.00 0.00 O ATOM 493 C2' DC B 16 6.548 5.121 -0.511 1.00 0.00 C ATOM 494 C1' DC B 16 5.905 4.401 0.682 1.00 0.00 C ATOM 495 N1 DC B 16 4.520 3.959 0.380 1.00 0.00 N ATOM 496 C2 DC B 16 4.263 2.595 0.232 1.00 0.00 C ATOM 497 O2 DC B 16 5.149 1.751 0.368 1.00 0.00 O ATOM 498 N3 DC B 16 3.017 2.170 -0.089 1.00 0.00 N ATOM 499 C4 DC B 16 2.052 3.058 -0.250 1.00 0.00 C ATOM 500 N4 DC B 16 0.863 2.567 -0.495 1.00 0.00 N ATOM 501 C5 DC B 16 2.264 4.466 -0.135 1.00 0.00 C ATOM 502 C6 DC B 16 3.520 4.878 0.182 1.00 0.00 C ATOM 0 H5' DC B 16 6.207 7.338 3.320 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.295 8.282 2.321 1.00 0.00 H new ATOM 0 H4' DC B 16 7.800 6.132 1.786 1.00 0.00 H new ATOM 0 H3' DC B 16 5.948 7.243 -0.362 1.00 0.00 H new ATOM 0 H2' DC B 16 5.912 5.073 -1.395 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.503 4.669 -0.781 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.843 7.227 -1.516 1.00 0.00 H new ATOM 0 H1' DC B 16 6.489 3.511 0.919 1.00 0.00 H new ATOM 0 H41 DC B 16 0.070 3.194 -0.630 1.00 0.00 H new ATOM 0 H42 DC B 16 0.730 1.557 -0.551 1.00 0.00 H new ATOM 0 H5 DC B 16 1.462 5.172 -0.293 1.00 0.00 H new ATOM 0 H6 DC B 16 3.732 5.933 0.278 1.00 0.00 H new TER 515 DC B 16