USER MOD reduce.3.24.130724 H: found=0, std=0, add=164, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 165 hydrogens (53 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 10 DC O3' : rot 180:sc= 0 USER MOD Single : A 11 NCG O29 : rot 180:sc= -1.08 USER MOD Single : A 11 NCG O3 : rot 180:sc= 0 USER MOD Single : A 11 NCG O4 : rot 139:sc= 0.959 USER MOD Single : A 11 NCG O82 : rot 28:sc= -0.512 USER MOD Single : A 11 NCG OXA : rot 180:sc= 0 USER MOD Single : A 11 NCG OXS : rot -150:sc= 0.036 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 7.831 -6.509 5.217 1.00 0.00 O ATOM 2 C5' DG A 1 7.072 -7.317 4.314 1.00 0.00 C ATOM 3 C4' DG A 1 5.844 -6.578 3.788 1.00 0.00 C ATOM 4 O4' DG A 1 4.983 -6.202 4.865 1.00 0.00 O ATOM 5 C3' DG A 1 6.249 -5.319 3.028 1.00 0.00 C ATOM 6 O3' DG A 1 5.839 -5.405 1.662 1.00 0.00 O ATOM 7 C2' DG A 1 5.555 -4.173 3.757 1.00 0.00 C ATOM 8 C1' DG A 1 4.607 -4.826 4.759 1.00 0.00 C ATOM 9 N9 DG A 1 4.681 -4.157 6.072 1.00 0.00 N ATOM 10 C8 DG A 1 5.774 -3.784 6.812 1.00 0.00 C ATOM 11 N7 DG A 1 5.536 -3.221 7.963 1.00 0.00 N ATOM 12 C5 DG A 1 4.145 -3.217 7.993 1.00 0.00 C ATOM 13 C6 DG A 1 3.275 -2.732 9.004 1.00 0.00 C ATOM 14 O6 DG A 1 3.570 -2.193 10.067 1.00 0.00 O ATOM 15 N1 DG A 1 1.941 -2.912 8.667 1.00 0.00 N ATOM 16 C2 DG A 1 1.497 -3.487 7.493 1.00 0.00 C ATOM 17 N2 DG A 1 0.176 -3.560 7.322 1.00 0.00 N ATOM 18 N3 DG A 1 2.316 -3.946 6.537 1.00 0.00 N ATOM 19 C4 DG A 1 3.620 -3.778 6.859 1.00 0.00 C ATOM 0 H5' DG A 1 6.758 -8.230 4.819 1.00 0.00 H new ATOM 0 H5'' DG A 1 7.702 -7.617 3.477 1.00 0.00 H new ATOM 0 H4' DG A 1 5.320 -7.256 3.115 1.00 0.00 H new ATOM 0 H3' DG A 1 7.329 -5.175 3.006 1.00 0.00 H new ATOM 0 H2' DG A 1 6.280 -3.536 4.264 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.009 -3.540 3.058 1.00 0.00 H new ATOM 0 HO5' DG A 1 8.608 -7.015 5.535 1.00 0.00 H new ATOM 0 H1' DG A 1 3.575 -4.737 4.419 1.00 0.00 H new ATOM 0 H8 DG A 1 6.781 -3.949 6.459 1.00 0.00 H new ATOM 0 H1 DG A 1 1.238 -2.597 9.335 1.00 0.00 H new ATOM 0 H21 DG A 1 -0.206 -3.976 6.472 1.00 0.00 H new ATOM 0 H22 DG A 1 -0.452 -3.200 8.041 1.00 0.00 H new ATOM 32 P DC A 2 5.659 -4.096 0.742 1.00 0.00 P ATOM 33 OP1 DC A 2 5.885 -4.485 -0.668 1.00 0.00 O ATOM 34 OP2 DC A 2 6.445 -2.992 1.336 1.00 0.00 O ATOM 35 O5' DC A 2 4.096 -3.756 0.929 1.00 0.00 O ATOM 36 C5' DC A 2 3.100 -4.733 0.613 1.00 0.00 C ATOM 37 C4' DC A 2 1.696 -4.259 0.975 1.00 0.00 C ATOM 38 O4' DC A 2 1.602 -3.979 2.375 1.00 0.00 O ATOM 39 C3' DC A 2 1.327 -2.998 0.202 1.00 0.00 C ATOM 40 O3' DC A 2 0.312 -3.272 -0.768 1.00 0.00 O ATOM 41 C2' DC A 2 0.830 -2.013 1.255 1.00 0.00 C ATOM 42 C1' DC A 2 1.115 -2.655 2.609 1.00 0.00 C ATOM 43 N1 DC A 2 2.106 -1.864 3.362 1.00 0.00 N ATOM 44 C2 DC A 2 1.741 -1.394 4.611 1.00 0.00 C ATOM 45 O2 DC A 2 0.613 -1.613 5.046 1.00 0.00 O ATOM 46 N3 DC A 2 2.648 -0.681 5.327 1.00 0.00 N ATOM 47 C4 DC A 2 3.870 -0.438 4.836 1.00 0.00 C ATOM 48 N4 DC A 2 4.741 0.260 5.565 1.00 0.00 N ATOM 49 C5 DC A 2 4.257 -0.917 3.542 1.00 0.00 C ATOM 50 C6 DC A 2 3.345 -1.624 2.842 1.00 0.00 C ATOM 0 H5' DC A 2 3.318 -5.658 1.146 1.00 0.00 H new ATOM 0 H5'' DC A 2 3.142 -4.961 -0.452 1.00 0.00 H new ATOM 0 H4' DC A 2 1.006 -5.061 0.711 1.00 0.00 H new ATOM 0 H3' DC A 2 2.176 -2.599 -0.354 1.00 0.00 H new ATOM 0 H2' DC A 2 1.342 -1.055 1.163 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.236 -1.818 1.133 1.00 0.00 H new ATOM 0 H1' DC A 2 0.204 -2.690 3.206 1.00 0.00 H new ATOM 0 H41 DC A 2 5.674 0.451 5.200 1.00 0.00 H new ATOM 0 H42 DC A 2 4.474 0.604 6.488 1.00 0.00 H new ATOM 0 H5 DC A 2 5.241 -0.720 3.142 1.00 0.00 H new ATOM 0 H6 DC A 2 3.598 -2.003 1.863 1.00 0.00 H new ATOM 62 P DC A 3 -0.114 -2.161 -1.852 1.00 0.00 P ATOM 63 OP1 DC A 3 -0.863 -2.835 -2.938 1.00 0.00 O ATOM 64 OP2 DC A 3 1.076 -1.343 -2.174 1.00 0.00 O ATOM 65 O5' DC A 3 -1.144 -1.240 -1.026 1.00 0.00 O ATOM 66 C5' DC A 3 -2.344 -1.788 -0.472 1.00 0.00 C ATOM 67 C4' DC A 3 -3.394 -0.708 -0.235 1.00 0.00 C ATOM 68 O4' DC A 3 -2.852 0.352 0.557 1.00 0.00 O ATOM 69 C3' DC A 3 -3.866 -0.114 -1.557 1.00 0.00 C ATOM 70 O3' DC A 3 -5.286 0.055 -1.541 1.00 0.00 O ATOM 71 C2' DC A 3 -3.144 1.227 -1.645 1.00 0.00 C ATOM 72 C1' DC A 3 -2.753 1.557 -0.207 1.00 0.00 C ATOM 73 N1 DC A 3 -1.393 2.119 -0.114 1.00 0.00 N ATOM 74 C2 DC A 3 -1.210 3.194 0.736 1.00 0.00 C ATOM 75 O2 DC A 3 -2.159 3.642 1.377 1.00 0.00 O ATOM 76 N3 DC A 3 0.034 3.725 0.855 1.00 0.00 N ATOM 77 C4 DC A 3 1.064 3.220 0.164 1.00 0.00 C ATOM 78 N4 DC A 3 2.271 3.768 0.302 1.00 0.00 N ATOM 79 C5 DC A 3 0.885 2.105 -0.720 1.00 0.00 C ATOM 80 C6 DC A 3 -0.357 1.586 -0.826 1.00 0.00 C ATOM 0 H5' DC A 3 -2.116 -2.288 0.469 1.00 0.00 H new ATOM 0 H5'' DC A 3 -2.745 -2.545 -1.146 1.00 0.00 H new ATOM 0 H4' DC A 3 -4.232 -1.175 0.283 1.00 0.00 H new ATOM 0 H3' DC A 3 -3.646 -0.749 -2.415 1.00 0.00 H new ATOM 0 H2' DC A 3 -2.266 1.162 -2.288 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.791 1.997 -2.065 1.00 0.00 H new ATOM 0 H1' DC A 3 -3.426 2.321 0.182 1.00 0.00 H new ATOM 0 H41 DC A 3 3.064 3.393 -0.219 1.00 0.00 H new ATOM 0 H42 DC A 3 2.402 4.562 0.928 1.00 0.00 H new ATOM 0 H5 DC A 3 1.713 1.696 -1.280 1.00 0.00 H new ATOM 0 H6 DC A 3 -0.532 0.743 -1.479 1.00 0.00 H new ATOM 92 P DA A 4 -6.080 0.664 -2.802 1.00 0.00 P ATOM 93 OP1 DA A 4 -7.527 0.431 -2.595 1.00 0.00 O ATOM 94 OP2 DA A 4 -5.426 0.185 -4.041 1.00 0.00 O ATOM 95 O5' DA A 4 -5.800 2.244 -2.666 1.00 0.00 O ATOM 96 C5' DA A 4 -6.015 2.933 -1.432 1.00 0.00 C ATOM 97 C4' DA A 4 -5.331 4.296 -1.436 1.00 0.00 C ATOM 98 O4' DA A 4 -3.931 4.148 -1.689 1.00 0.00 O ATOM 99 C3' DA A 4 -5.919 5.187 -2.524 1.00 0.00 C ATOM 100 O3' DA A 4 -6.111 6.515 -2.030 1.00 0.00 O ATOM 101 C2' DA A 4 -4.873 5.146 -3.634 1.00 0.00 C ATOM 102 C1' DA A 4 -3.576 4.745 -2.940 1.00 0.00 C ATOM 103 N9 DA A 4 -2.794 3.812 -3.773 1.00 0.00 N ATOM 104 C8 DA A 4 -3.215 2.773 -4.562 1.00 0.00 C ATOM 105 N7 DA A 4 -2.294 2.120 -5.216 1.00 0.00 N ATOM 106 C5 DA A 4 -1.144 2.794 -4.823 1.00 0.00 C ATOM 107 C6 DA A 4 0.212 2.621 -5.145 1.00 0.00 C ATOM 108 N6 DA A 4 0.648 1.673 -5.975 1.00 0.00 N ATOM 109 N1 DA A 4 1.096 3.458 -4.585 1.00 0.00 N ATOM 110 C2 DA A 4 0.691 4.408 -3.757 1.00 0.00 C ATOM 111 N3 DA A 4 -0.551 4.667 -3.378 1.00 0.00 N ATOM 112 C4 DA A 4 -1.433 3.814 -3.953 1.00 0.00 C ATOM 0 H5' DA A 4 -5.632 2.333 -0.606 1.00 0.00 H new ATOM 0 H5'' DA A 4 -7.085 3.060 -1.265 1.00 0.00 H new ATOM 0 H4' DA A 4 -5.490 4.750 -0.458 1.00 0.00 H new ATOM 0 H3' DA A 4 -6.898 4.856 -2.871 1.00 0.00 H new ATOM 0 H2' DA A 4 -5.146 4.427 -4.407 1.00 0.00 H new ATOM 0 H2'' DA A 4 -4.776 6.116 -4.121 1.00 0.00 H new ATOM 0 H1' DA A 4 -2.945 5.619 -2.778 1.00 0.00 H new ATOM 0 H8 DA A 4 -4.259 2.508 -4.639 1.00 0.00 H new ATOM 0 H61 DA A 4 1.645 1.590 -6.176 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.015 1.031 -6.409 1.00 0.00 H new ATOM 0 H2 DA A 4 1.460 5.044 -3.344 1.00 0.00 H new ATOM 124 P DG A 5 -6.623 7.714 -2.975 1.00 0.00 P ATOM 125 OP1 DG A 5 -7.942 8.162 -2.475 1.00 0.00 O ATOM 126 OP2 DG A 5 -6.476 7.298 -4.389 1.00 0.00 O ATOM 127 O5' DG A 5 -5.549 8.876 -2.677 1.00 0.00 O ATOM 128 C5' DG A 5 -5.233 9.251 -1.334 1.00 0.00 C ATOM 129 C4' DG A 5 -3.727 9.324 -1.104 1.00 0.00 C ATOM 130 O4' DG A 5 -3.066 8.237 -1.754 1.00 0.00 O ATOM 131 C3' DG A 5 -3.148 10.630 -1.639 1.00 0.00 C ATOM 132 O3' DG A 5 -2.428 11.312 -0.609 1.00 0.00 O ATOM 133 C2' DG A 5 -2.220 10.219 -2.776 1.00 0.00 C ATOM 134 C1' DG A 5 -2.057 8.708 -2.652 1.00 0.00 C ATOM 135 N9 DG A 5 -2.180 8.057 -3.971 1.00 0.00 N ATOM 136 C8 DG A 5 -3.302 7.774 -4.706 1.00 0.00 C ATOM 137 N7 DG A 5 -3.115 7.185 -5.855 1.00 0.00 N ATOM 138 C5 DG A 5 -1.730 7.060 -5.886 1.00 0.00 C ATOM 139 C6 DG A 5 -0.908 6.491 -6.892 1.00 0.00 C ATOM 140 O6 DG A 5 -1.245 5.978 -7.957 1.00 0.00 O ATOM 141 N1 DG A 5 0.437 6.556 -6.556 1.00 0.00 N ATOM 142 C2 DG A 5 0.932 7.104 -5.389 1.00 0.00 C ATOM 143 N2 DG A 5 2.257 7.080 -5.236 1.00 0.00 N ATOM 144 N3 DG A 5 0.159 7.641 -4.437 1.00 0.00 N ATOM 145 C4 DG A 5 -1.156 7.583 -4.756 1.00 0.00 C ATOM 0 H5' DG A 5 -5.671 8.531 -0.643 1.00 0.00 H new ATOM 0 H5'' DG A 5 -5.682 10.219 -1.112 1.00 0.00 H new ATOM 0 H4' DG A 5 -3.564 9.271 -0.028 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.923 11.316 -1.983 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.643 10.489 -3.744 1.00 0.00 H new ATOM 0 H2'' DG A 5 -1.257 10.724 -2.697 1.00 0.00 H new ATOM 0 H1' DG A 5 -1.066 8.464 -2.268 1.00 0.00 H new ATOM 0 H8 DG A 5 -4.291 8.026 -4.352 1.00 0.00 H new ATOM 0 H1 DG A 5 1.109 6.171 -7.220 1.00 0.00 H new ATOM 0 H21 DG A 5 2.680 7.470 -4.394 1.00 0.00 H new ATOM 0 H22 DG A 5 2.847 6.671 -5.961 1.00 0.00 H new ATOM 157 P DA A 6 -1.831 12.789 -0.845 1.00 0.00 P ATOM 158 OP1 DA A 6 -2.952 13.690 -1.194 1.00 0.00 O ATOM 159 OP2 DA A 6 -0.667 12.679 -1.753 1.00 0.00 O ATOM 160 O5' DA A 6 -1.290 13.197 0.616 1.00 0.00 O ATOM 161 C5' DA A 6 -2.130 13.881 1.549 1.00 0.00 C ATOM 162 C4' DA A 6 -2.214 13.151 2.885 1.00 0.00 C ATOM 163 O4' DA A 6 -2.682 11.813 2.694 1.00 0.00 O ATOM 164 C3' DA A 6 -0.854 13.099 3.572 1.00 0.00 C ATOM 165 O3' DA A 6 -0.870 13.838 4.796 1.00 0.00 O ATOM 166 C2' DA A 6 -0.588 11.619 3.833 1.00 0.00 C ATOM 167 C1' DA A 6 -1.755 10.857 3.215 1.00 0.00 C ATOM 168 N9 DA A 6 -1.308 9.938 2.151 1.00 0.00 N ATOM 169 C8 DA A 6 -0.305 10.063 1.224 1.00 0.00 C ATOM 170 N7 DA A 6 -0.159 9.082 0.377 1.00 0.00 N ATOM 171 C5 DA A 6 -1.169 8.213 0.780 1.00 0.00 C ATOM 172 C6 DA A 6 -1.587 6.960 0.306 1.00 0.00 C ATOM 173 N6 DA A 6 -1.020 6.345 -0.732 1.00 0.00 N ATOM 174 N1 DA A 6 -2.618 6.373 0.928 1.00 0.00 N ATOM 175 C2 DA A 6 -3.211 6.966 1.952 1.00 0.00 C ATOM 176 N3 DA A 6 -2.908 8.140 2.486 1.00 0.00 N ATOM 177 C4 DA A 6 -1.865 8.719 1.846 1.00 0.00 C ATOM 0 H5' DA A 6 -3.130 13.983 1.129 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.747 14.889 1.710 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.912 13.703 3.514 1.00 0.00 H new ATOM 0 H3' DA A 6 -0.074 13.547 2.956 1.00 0.00 H new ATOM 0 H2' DA A 6 0.357 11.310 3.387 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.517 11.420 4.902 1.00 0.00 H new ATOM 0 H1' DA A 6 -2.228 10.243 3.981 1.00 0.00 H new ATOM 0 H8 DA A 6 0.334 10.933 1.197 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.364 5.434 -1.035 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.242 6.786 -1.223 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.035 6.433 2.403 1.00 0.00 H new ATOM 189 P DG A 7 0.353 13.753 5.840 1.00 0.00 P ATOM 190 OP1 DG A 7 0.154 14.797 6.870 1.00 0.00 O ATOM 191 OP2 DG A 7 1.617 13.712 5.070 1.00 0.00 O ATOM 192 O5' DG A 7 0.135 12.315 6.528 1.00 0.00 O ATOM 193 C5' DG A 7 -1.037 12.047 7.304 1.00 0.00 C ATOM 194 C4' DG A 7 -1.024 10.644 7.900 1.00 0.00 C ATOM 195 O4' DG A 7 -1.017 9.641 6.880 1.00 0.00 O ATOM 196 C3' DG A 7 0.203 10.422 8.776 1.00 0.00 C ATOM 197 O3' DG A 7 -0.125 10.528 10.165 1.00 0.00 O ATOM 198 C2' DG A 7 0.683 9.018 8.428 1.00 0.00 C ATOM 199 C1' DG A 7 -0.214 8.531 7.294 1.00 0.00 C ATOM 200 N9 DG A 7 0.579 8.011 6.164 1.00 0.00 N ATOM 201 C8 DG A 7 1.872 8.283 5.799 1.00 0.00 C ATOM 202 N7 DG A 7 2.324 7.674 4.739 1.00 0.00 N ATOM 203 C5 DG A 7 1.219 6.920 4.358 1.00 0.00 C ATOM 204 C6 DG A 7 1.082 6.033 3.259 1.00 0.00 C ATOM 205 O6 DG A 7 1.923 5.734 2.414 1.00 0.00 O ATOM 206 N1 DG A 7 -0.182 5.463 3.208 1.00 0.00 N ATOM 207 C2 DG A 7 -1.195 5.717 4.113 1.00 0.00 C ATOM 208 N2 DG A 7 -2.348 5.078 3.912 1.00 0.00 N ATOM 209 N3 DG A 7 -1.068 6.553 5.152 1.00 0.00 N ATOM 210 C4 DG A 7 0.163 7.115 5.208 1.00 0.00 C ATOM 0 H5' DG A 7 -1.921 12.166 6.677 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.115 12.780 8.107 1.00 0.00 H new ATOM 0 H4' DG A 7 -1.931 10.561 8.499 1.00 0.00 H new ATOM 0 H3' DG A 7 0.973 11.173 8.597 1.00 0.00 H new ATOM 0 H2' DG A 7 1.729 9.029 8.120 1.00 0.00 H new ATOM 0 H2'' DG A 7 0.612 8.357 9.292 1.00 0.00 H new ATOM 0 H1' DG A 7 -0.840 7.708 7.640 1.00 0.00 H new ATOM 0 H8 DG A 7 2.487 8.969 6.363 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.377 4.810 2.449 1.00 0.00 H new ATOM 0 H21 DG A 7 -3.131 5.227 4.548 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.447 4.441 3.122 1.00 0.00 H new ATOM 222 P DA A 8 1.031 10.553 11.284 1.00 0.00 P ATOM 223 OP1 DA A 8 0.451 11.083 12.538 1.00 0.00 O ATOM 224 OP2 DA A 8 2.231 11.195 10.700 1.00 0.00 O ATOM 225 O5' DA A 8 1.353 8.991 11.495 1.00 0.00 O ATOM 226 C5' DA A 8 0.353 8.096 11.991 1.00 0.00 C ATOM 227 C4' DA A 8 0.968 6.812 12.537 1.00 0.00 C ATOM 228 O4' DA A 8 1.777 6.176 11.544 1.00 0.00 O ATOM 229 C3' DA A 8 1.840 7.104 13.753 1.00 0.00 C ATOM 230 O3' DA A 8 1.307 6.484 14.926 1.00 0.00 O ATOM 231 C2' DA A 8 3.231 6.595 13.390 1.00 0.00 C ATOM 232 C1' DA A 8 3.076 5.869 12.057 1.00 0.00 C ATOM 233 N9 DA A 8 4.122 6.273 11.100 1.00 0.00 N ATOM 234 C8 DA A 8 4.735 7.486 10.922 1.00 0.00 C ATOM 235 N7 DA A 8 5.631 7.561 9.977 1.00 0.00 N ATOM 236 C5 DA A 8 5.614 6.264 9.474 1.00 0.00 C ATOM 237 C6 DA A 8 6.332 5.638 8.442 1.00 0.00 C ATOM 238 N6 DA A 8 7.246 6.269 7.706 1.00 0.00 N ATOM 239 N1 DA A 8 6.075 4.347 8.201 1.00 0.00 N ATOM 240 C2 DA A 8 5.175 3.695 8.921 1.00 0.00 C ATOM 241 N3 DA A 8 4.439 4.175 9.912 1.00 0.00 N ATOM 242 C4 DA A 8 4.709 5.482 10.143 1.00 0.00 C ATOM 0 H5' DA A 8 -0.347 7.853 11.192 1.00 0.00 H new ATOM 0 H5'' DA A 8 -0.219 8.589 12.777 1.00 0.00 H new ATOM 0 H4' DA A 8 0.147 6.154 12.822 1.00 0.00 H new ATOM 0 H3' DA A 8 1.876 8.167 13.992 1.00 0.00 H new ATOM 0 H2' DA A 8 3.939 7.420 13.306 1.00 0.00 H new ATOM 0 H2'' DA A 8 3.614 5.923 14.158 1.00 0.00 H new ATOM 0 H1' DA A 8 3.184 4.795 12.207 1.00 0.00 H new ATOM 0 H8 DA A 8 4.488 8.340 11.535 1.00 0.00 H new ATOM 0 H61 DA A 8 7.740 5.768 6.967 1.00 0.00 H new ATOM 0 H62 DA A 8 7.451 7.253 7.881 1.00 0.00 H new ATOM 0 H2 DA A 8 5.024 2.655 8.672 1.00 0.00 H new ATOM 254 P DG A 9 1.517 4.929 15.285 1.00 0.00 P ATOM 255 OP1 DG A 9 1.104 4.725 16.691 1.00 0.00 O ATOM 256 OP2 DG A 9 2.869 4.506 14.854 1.00 0.00 O ATOM 257 O5' DG A 9 0.437 4.199 14.339 1.00 0.00 O ATOM 258 C5' DG A 9 -0.960 4.463 14.484 1.00 0.00 C ATOM 259 C4' DG A 9 -1.808 3.497 13.663 1.00 0.00 C ATOM 260 O4' DG A 9 -1.420 3.534 12.287 1.00 0.00 O ATOM 261 C3' DG A 9 -1.654 2.068 14.173 1.00 0.00 C ATOM 262 O3' DG A 9 -2.905 1.561 14.647 1.00 0.00 O ATOM 263 C2' DG A 9 -1.156 1.263 12.977 1.00 0.00 C ATOM 264 C1' DG A 9 -1.178 2.216 11.787 1.00 0.00 C ATOM 265 N9 DG A 9 0.091 2.162 11.039 1.00 0.00 N ATOM 266 C8 DG A 9 1.265 2.835 11.256 1.00 0.00 C ATOM 267 N7 DG A 9 2.230 2.619 10.406 1.00 0.00 N ATOM 268 C5 DG A 9 1.640 1.707 9.537 1.00 0.00 C ATOM 269 C6 DG A 9 2.192 1.084 8.388 1.00 0.00 C ATOM 270 O6 DG A 9 3.318 1.223 7.913 1.00 0.00 O ATOM 271 N1 DG A 9 1.287 0.227 7.777 1.00 0.00 N ATOM 272 C2 DG A 9 0.001 -0.003 8.225 1.00 0.00 C ATOM 273 N2 DG A 9 -0.730 -0.872 7.528 1.00 0.00 N ATOM 274 N3 DG A 9 -0.524 0.585 9.307 1.00 0.00 N ATOM 275 C4 DG A 9 0.352 1.424 9.910 1.00 0.00 C ATOM 0 H5' DG A 9 -1.171 5.486 14.173 1.00 0.00 H new ATOM 0 H5'' DG A 9 -1.237 4.386 15.535 1.00 0.00 H new ATOM 0 H4' DG A 9 -2.848 3.808 13.763 1.00 0.00 H new ATOM 0 H3' DG A 9 -0.962 2.009 15.013 1.00 0.00 H new ATOM 0 H2' DG A 9 -0.149 0.884 13.154 1.00 0.00 H new ATOM 0 H2'' DG A 9 -1.795 0.399 12.796 1.00 0.00 H new ATOM 0 H1' DG A 9 -1.966 1.926 11.092 1.00 0.00 H new ATOM 0 H8 DG A 9 1.385 3.511 12.090 1.00 0.00 H new ATOM 0 H1 DG A 9 1.593 -0.267 6.939 1.00 0.00 H new ATOM 0 H21 DG A 9 -1.687 -1.079 7.815 1.00 0.00 H new ATOM 0 H22 DG A 9 -0.333 -1.330 6.708 1.00 0.00 H new ATOM 287 P DC A 10 -2.984 0.189 15.484 1.00 0.00 P ATOM 288 OP1 DC A 10 -4.116 0.287 16.433 1.00 0.00 O ATOM 289 OP2 DC A 10 -1.629 -0.128 15.990 1.00 0.00 O ATOM 290 O5' DC A 10 -3.363 -0.901 14.362 1.00 0.00 O ATOM 291 C5' DC A 10 -4.694 -0.998 13.845 1.00 0.00 C ATOM 292 C4' DC A 10 -4.844 -2.190 12.905 1.00 0.00 C ATOM 293 O4' DC A 10 -3.929 -2.081 11.811 1.00 0.00 O ATOM 294 C3' DC A 10 -4.572 -3.500 13.636 1.00 0.00 C ATOM 295 O3' DC A 10 -5.753 -4.303 13.716 1.00 0.00 O ATOM 296 C2' DC A 10 -3.492 -4.202 12.819 1.00 0.00 C ATOM 297 C1' DC A 10 -3.027 -3.190 11.777 1.00 0.00 C ATOM 298 N1 DC A 10 -1.646 -2.738 12.030 1.00 0.00 N ATOM 299 C2 DC A 10 -0.777 -2.737 10.954 1.00 0.00 C ATOM 300 O2 DC A 10 -1.167 -3.112 9.850 1.00 0.00 O ATOM 301 N3 DC A 10 0.497 -2.310 11.143 1.00 0.00 N ATOM 302 C4 DC A 10 0.907 -1.896 12.350 1.00 0.00 C ATOM 303 N4 DC A 10 2.164 -1.482 12.504 1.00 0.00 N ATOM 304 C5 DC A 10 0.017 -1.893 13.473 1.00 0.00 C ATOM 305 C6 DC A 10 -1.247 -2.322 13.268 1.00 0.00 C ATOM 0 H5' DC A 10 -4.947 -0.080 13.314 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.400 -1.093 14.670 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.869 -2.188 12.535 1.00 0.00 H new ATOM 0 H3' DC A 10 -4.255 -3.326 14.664 1.00 0.00 H new ATOM 0 H2' DC A 10 -2.664 -4.515 13.455 1.00 0.00 H new ATOM 0 H2'' DC A 10 -3.885 -5.100 12.342 1.00 0.00 H new ATOM 0 HO3' DC A 10 -5.550 -5.138 14.188 1.00 0.00 H new ATOM 0 H1' DC A 10 -3.028 -3.659 10.793 1.00 0.00 H new ATOM 0 H41 DC A 10 2.488 -1.165 13.418 1.00 0.00 H new ATOM 0 H42 DC A 10 2.802 -1.483 11.708 1.00 0.00 H new ATOM 0 H5 DC A 10 0.345 -1.560 14.447 1.00 0.00 H new ATOM 0 H6 DC A 10 -1.948 -2.336 14.090 1.00 0.00 H new TER 318 DC A 10 HETATM 319 C1 NCG A 11 -3.590 0.609 4.493 1.00 0.00 C HETATM 320 C2 NCG A 11 -3.429 -0.458 3.666 1.00 0.00 C HETATM 321 C3 NCG A 11 -3.404 -1.724 4.162 1.00 0.00 C HETATM 322 C4 NCG A 11 -3.535 -1.938 5.550 1.00 0.00 C HETATM 323 C5 NCG A 11 -3.686 -0.868 6.375 1.00 0.00 C HETATM 324 C6 NCG A 11 -3.724 0.399 5.881 1.00 0.00 C HETATM 325 C7 NCG A 11 -3.253 -3.009 3.513 1.00 0.00 C HETATM 326 C8 NCG A 11 -3.298 -4.006 4.495 1.00 0.00 C HETATM 327 C9 NCG A 11 -3.478 -3.375 5.855 1.00 0.00 C HETATM 328 C10 NCG A 11 -3.868 1.703 6.543 1.00 0.00 C HETATM 329 C11 NCG A 11 -3.213 2.673 5.558 1.00 0.00 C HETATM 330 C12 NCG A 11 -3.643 2.055 4.228 1.00 0.00 C HETATM 331 C13 NCG A 11 -4.780 -3.841 6.508 1.00 0.00 C HETATM 332 O14 NCG A 11 -5.883 -3.229 5.887 1.00 0.00 O HETATM 333 C15 NCG A 11 -6.449 -2.435 6.828 1.00 0.00 C HETATM 334 O16 NCG A 11 -5.877 -2.450 8.054 1.00 0.00 O HETATM 335 C17 NCG A 11 -4.834 -3.391 7.968 1.00 0.00 C HETATM 336 O19 NCG A 11 -7.419 -1.729 6.584 1.00 0.00 O HETATM 337 O26 NCG A 11 -1.811 2.647 5.676 1.00 0.00 O HETATM 338 C27 NCG A 11 -1.363 3.372 6.729 1.00 0.00 C HETATM 339 O28 NCG A 11 -2.169 3.619 7.618 1.00 0.00 O HETATM 340 O29 NCG A 11 -2.369 -3.667 6.669 1.00 0.00 O HETATM 341 C68 NCG A 11 0.019 3.836 6.797 1.00 0.00 C HETATM 342 C69 NCG A 11 1.662 2.273 3.892 1.00 0.00 C HETATM 343 C70 NCG A 11 0.675 2.609 4.802 1.00 0.00 C HETATM 344 C71 NCG A 11 0.999 3.470 5.862 1.00 0.00 C HETATM 345 C72 NCG A 11 2.323 3.968 5.978 1.00 0.00 C HETATM 346 C73 NCG A 11 3.310 3.613 5.045 1.00 0.00 C HETATM 347 C74 NCG A 11 2.948 2.765 4.014 1.00 0.00 C HETATM 348 C75 NCG A 11 0.402 4.671 7.832 1.00 0.00 C HETATM 349 C76 NCG A 11 1.692 5.152 7.949 1.00 0.00 C HETATM 350 C77 NCG A 11 2.675 4.823 7.033 1.00 0.00 C HETATM 351 O82 NCG A 11 -0.524 5.045 8.784 1.00 0.00 O HETATM 352 C83 NCG A 11 4.724 4.131 5.145 1.00 0.00 C HETATM 353 O87 NCG A 11 1.394 1.432 2.832 1.00 0.00 O HETATM 354 C88 NCG A 11 0.068 0.963 2.867 1.00 0.00 C HETATM 355 C94 NCG A 11 -6.512 3.238 2.268 1.00 0.00 C HETATM 356 C95 NCG A 11 -5.288 2.376 2.577 1.00 0.00 C HETATM 357 O96 NCG A 11 -5.567 1.021 2.316 1.00 0.00 O HETATM 358 C97 NCG A 11 -6.596 0.501 3.122 1.00 0.00 C HETATM 359 C98 NCG A 11 -7.720 2.734 3.058 1.00 0.00 C HETATM 360 C99 NCG A 11 -7.904 1.234 2.822 1.00 0.00 C HETATM 361 OXS NCG A 11 -8.287 0.999 1.492 1.00 0.00 O HETATM 362 CXU NCG A 11 -6.765 -0.990 2.825 1.00 0.00 C HETATM 363 OXX NCG A 11 -4.962 2.451 3.944 1.00 0.00 O HETATM 364 NX0 NCG A 11 -6.246 4.631 2.573 1.00 0.00 N HETATM 365 CX2 NCG A 11 -6.161 5.209 3.900 1.00 0.00 C HETATM 366 OXA NCG A 11 -8.878 3.418 2.649 1.00 0.00 O HETATM 367 N NCG A 11 -7.427 2.758 9.039 1.00 0.00 N HETATM 368 CA NCG A 11 -7.478 1.399 8.513 1.00 0.00 C HETATM 369 CB NCG A 11 -6.129 0.963 7.939 1.00 0.00 C HETATM 370 SG NCG A 11 -5.612 2.135 6.674 1.00 0.00 S HETATM 371 C NCG A 11 -7.875 0.391 9.593 1.00 0.00 C HETATM 372 O5 NCG A 11 -7.781 0.702 10.775 1.00 0.00 O HETATM 373 N1 NCG A 11 -8.363 -0.923 9.223 1.00 0.00 N HETATM 374 C21 NCG A 11 -7.886 -1.946 10.146 1.00 0.00 C HETATM 375 C22 NCG A 11 -8.837 -2.162 11.325 1.00 0.00 C HETATM 376 O2 NCG A 11 -8.414 -2.125 12.474 1.00 0.00 O HETATM 377 O3 NCG A 11 -10.176 -2.410 11.103 1.00 0.00 O HETATM 378 C20 NCG A 11 -7.389 3.720 7.955 1.00 0.00 C HETATM 379 O34 NCG A 11 -8.052 3.523 6.941 1.00 0.00 O HETATM 380 C18 NCG A 11 -6.536 4.984 8.067 1.00 0.00 C HETATM 381 C14 NCG A 11 -5.095 4.631 8.439 1.00 0.00 C HETATM 382 C16 NCG A 11 -4.244 5.901 8.497 1.00 0.00 C HETATM 383 C19 NCG A 11 -3.901 6.394 7.090 1.00 0.00 C HETATM 384 O1 NCG A 11 -4.346 5.820 6.103 1.00 0.00 O HETATM 385 O4 NCG A 11 -3.085 7.494 6.927 1.00 0.00 O HETATM 386 N2 NCG A 11 -3.027 5.644 9.245 1.00 0.00 N HETATM 0 HNM3 NCG A 11 4.717 5.220 5.091 1.00 0.00 H new HETATM 0 HNM2 NCG A 11 5.160 3.817 6.093 1.00 0.00 H new HETATM 0 HNM1 NCG A 11 5.317 3.731 4.323 1.00 0.00 H new HETATM 0 HFM3 NCG A 11 -7.021 -1.125 1.774 1.00 0.00 H new HETATM 0 HFM2 NCG A 11 -5.833 -1.512 3.041 1.00 0.00 H new HETATM 0 HFM1 NCG A 11 -7.562 -1.397 3.448 1.00 0.00 H new HETATM 0 H7M3 NCG A 11 -0.099 0.413 3.793 1.00 0.00 H new HETATM 0 H7M2 NCG A 11 -0.618 1.808 2.818 1.00 0.00 H new HETATM 0 H7M1 NCG A 11 -0.107 0.303 2.017 1.00 0.00 H new HETATM 0 H2M3 NCG A 11 -7.107 5.064 4.421 1.00 0.00 H new HETATM 0 H2M2 NCG A 11 -5.361 4.723 4.458 1.00 0.00 H new HETATM 0 H2M1 NCG A 11 -5.951 6.275 3.820 1.00 0.00 H new HETATM 0 H14B NCG A 11 -5.019 -4.238 8.629 1.00 0.00 H new HETATM 0 H14A NCG A 11 -3.886 -2.949 8.274 1.00 0.00 H new HETATM 0 H120 NCG A 11 -9.649 3.090 3.157 1.00 0.00 H new HETATM 0 H108 NCG A 11 -6.106 5.261 1.783 1.00 0.00 H new HETATM 0 H104 NCG A 11 -8.788 1.771 1.155 1.00 0.00 H new HETATM 0 HB2 NCG A 11 -5.383 0.914 8.732 1.00 0.00 H new HETATM 0 HB1 NCG A 11 -6.208 -0.037 7.513 1.00 0.00 H new HETATM 0 HA NCG A 11 -8.229 1.413 7.723 1.00 0.00 H new HETATM 0 H92 NCG A 11 -1.208 4.348 8.867 1.00 0.00 H new HETATM 0 H9 NCG A 11 -7.419 2.998 10.030 1.00 0.00 H new HETATM 0 H8B NCG A 11 -0.335 2.212 4.698 1.00 0.00 H new HETATM 0 H8 NCG A 11 -3.319 -0.297 2.594 1.00 0.00 H new HETATM 0 H7 NCG A 11 -7.760 -2.886 9.608 1.00 0.00 H new HETATM 0 H6B NCG A 11 3.698 2.477 3.277 1.00 0.00 H new HETATM 0 H66 NCG A 11 -2.349 -4.627 6.863 1.00 0.00 H new HETATM 0 H6 NCG A 11 -3.126 -3.173 2.443 1.00 0.00 H new HETATM 0 H5' NCG A 11 -6.340 0.638 4.173 1.00 0.00 H new HETATM 0 H5 NCG A 11 -3.216 -5.076 4.306 1.00 0.00 H new HETATM 0 H4B NCG A 11 3.688 5.214 7.128 1.00 0.00 H new HETATM 0 H4' NCG A 11 -8.685 0.863 3.485 1.00 0.00 H new HETATM 0 H4 NCG A 11 -10.633 -2.532 11.961 1.00 0.00 H new HETATM 0 H3B NCG A 11 1.941 5.807 8.784 1.00 0.00 H new HETATM 0 H3' NCG A 11 -7.550 2.915 4.119 1.00 0.00 H new HETATM 0 H3 NCG A 11 -8.963 -1.108 8.420 1.00 0.00 H new HETATM 0 H21 NCG A 11 -2.465 7.334 6.186 1.00 0.00 H new HETATM 0 H20 NCG A 11 -2.344 6.389 9.379 1.00 0.00 H new HETATM 0 H2' NCG A 11 -6.734 3.162 1.204 1.00 0.00 H new HETATM 0 H2 NCG A 11 -3.778 -1.028 7.449 1.00 0.00 H new HETATM 0 H19 NCG A 11 -2.855 4.718 9.636 1.00 0.00 H new HETATM 0 H18 NCG A 11 -4.819 6.679 8.999 1.00 0.00 H new HETATM 0 H17 NCG A 11 -5.073 4.124 9.404 1.00 0.00 H new HETATM 0 H16 NCG A 11 -4.681 3.939 7.706 1.00 0.00 H new HETATM 0 H15 NCG A 11 -6.551 5.524 7.120 1.00 0.00 H new HETATM 0 H14 NCG A 11 -6.959 5.649 8.820 1.00 0.00 H new HETATM 0 H13 NCG A 11 -4.813 -4.927 6.417 1.00 0.00 H new HETATM 0 H12 NCG A 11 -3.435 1.716 7.543 1.00 0.00 H new HETATM 0 H11 NCG A 11 -3.496 3.716 5.699 1.00 0.00 H new HETATM 0 H10 NCG A 11 -3.024 2.351 3.381 1.00 0.00 H new HETATM 0 H1' NCG A 11 -4.471 2.744 1.956 1.00 0.00 H new HETATM 0 H1 NCG A 11 -6.904 -1.661 10.523 1.00 0.00 H new