USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 DA O5' : rot 23:sc= 0.00364 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 25:sc= 0.0128 USER MOD Single : B 2 DT C7 :methyl 150:sc= -0.0171 (180deg=-0.0171) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -9.342 7.885 -10.681 1.00 10.00 O ATOM 2 C5' DA A 1 -10.540 8.029 -9.947 1.00 10.00 C ATOM 3 C4' DA A 1 -10.578 7.056 -8.764 1.00 10.00 C ATOM 4 O4' DA A 1 -10.447 5.715 -9.203 1.00 10.00 O ATOM 5 C3' DA A 1 -9.439 7.269 -7.769 1.00 10.00 C ATOM 6 O3' DA A 1 -9.748 8.308 -6.857 1.00 10.00 O ATOM 7 C2' DA A 1 -9.349 5.896 -7.111 1.00 10.00 C ATOM 8 C1' DA A 1 -9.969 4.931 -8.121 1.00 10.00 C ATOM 9 N9 DA A 1 -8.971 3.952 -8.585 1.00 10.00 N ATOM 10 C8 DA A 1 -8.022 4.141 -9.540 1.00 10.00 C ATOM 11 N7 DA A 1 -7.279 3.099 -9.788 1.00 10.00 N ATOM 12 C5 DA A 1 -7.774 2.140 -8.909 1.00 10.00 C ATOM 13 C6 DA A 1 -7.426 0.796 -8.654 1.00 10.00 C ATOM 14 N6 DA A 1 -6.458 0.154 -9.320 1.00 10.00 N ATOM 15 N1 DA A 1 -8.095 0.138 -7.688 1.00 10.00 N ATOM 16 C2 DA A 1 -9.056 0.768 -7.015 1.00 10.00 C ATOM 17 N3 DA A 1 -9.482 2.019 -7.165 1.00 10.00 N ATOM 18 C4 DA A 1 -8.791 2.662 -8.145 1.00 10.00 C ATOM 0 H5' DA A 1 -11.394 7.848 -10.599 1.00 10.00 H new ATOM 0 H5'' DA A 1 -10.627 9.053 -9.584 1.00 10.00 H new ATOM 0 H4' DA A 1 -11.538 7.247 -8.285 1.00 10.00 H new ATOM 0 H3' DA A 1 -8.495 7.588 -8.211 1.00 10.00 H new ATOM 0 H2' DA A 1 -8.315 5.629 -6.894 1.00 10.00 H new ATOM 0 H2'' DA A 1 -9.888 5.876 -6.164 1.00 10.00 H new ATOM 0 HO5' DA A 1 -8.971 6.990 -10.530 1.00 10.00 H new ATOM 0 H1' DA A 1 -10.782 4.365 -7.667 1.00 10.00 H new ATOM 0 H8 DA A 1 -7.894 5.082 -10.054 1.00 10.00 H new ATOM 0 H61 DA A 1 -6.245 -0.818 -9.098 1.00 10.00 H new ATOM 0 H62 DA A 1 -5.934 0.637 -10.050 1.00 10.00 H new ATOM 0 H2 DA A 1 -9.553 0.190 -6.250 1.00 10.00 H new ATOM 31 P DT A 2 -8.642 8.918 -5.847 1.00 10.00 P ATOM 32 OP1 DT A 2 -9.244 10.082 -5.160 1.00 10.00 O ATOM 33 OP2 DT A 2 -7.376 9.085 -6.595 1.00 10.00 O ATOM 34 O5' DT A 2 -8.428 7.747 -4.762 1.00 10.00 O ATOM 35 C5' DT A 2 -9.360 7.506 -3.723 1.00 10.00 C ATOM 36 C4' DT A 2 -8.957 6.231 -2.975 1.00 10.00 C ATOM 37 O4' DT A 2 -8.829 5.162 -3.891 1.00 10.00 O ATOM 38 C3' DT A 2 -7.609 6.369 -2.261 1.00 10.00 C ATOM 39 O3' DT A 2 -7.829 6.741 -0.908 1.00 10.00 O ATOM 40 C2' DT A 2 -6.982 4.988 -2.419 1.00 10.00 C ATOM 41 C1' DT A 2 -7.898 4.229 -3.383 1.00 10.00 C ATOM 42 N1 DT A 2 -7.113 3.668 -4.508 1.00 10.00 N ATOM 43 C2 DT A 2 -7.040 2.288 -4.687 1.00 10.00 C ATOM 44 O2 DT A 2 -7.643 1.481 -3.985 1.00 10.00 O ATOM 45 N3 DT A 2 -6.228 1.854 -5.726 1.00 10.00 N ATOM 46 C4 DT A 2 -5.519 2.665 -6.602 1.00 10.00 C ATOM 47 O4 DT A 2 -4.809 2.159 -7.467 1.00 10.00 O ATOM 48 C5 DT A 2 -5.700 4.090 -6.381 1.00 10.00 C ATOM 49 C7 DT A 2 -5.070 5.094 -7.328 1.00 10.00 C ATOM 50 C6 DT A 2 -6.467 4.531 -5.354 1.00 10.00 C ATOM 0 H5' DT A 2 -10.363 7.399 -4.135 1.00 10.00 H new ATOM 0 H5'' DT A 2 -9.386 8.353 -3.037 1.00 10.00 H new ATOM 0 H4' DT A 2 -9.737 6.048 -2.236 1.00 10.00 H new ATOM 0 H3' DT A 2 -6.953 7.141 -2.664 1.00 10.00 H new ATOM 0 H2' DT A 2 -5.969 5.060 -2.815 1.00 10.00 H new ATOM 0 H2'' DT A 2 -6.913 4.476 -1.459 1.00 10.00 H new ATOM 0 H1' DT A 2 -8.393 3.407 -2.866 1.00 10.00 H new ATOM 0 H3 DT A 2 -6.145 0.846 -5.858 1.00 10.00 H new ATOM 0 H71 DT A 2 -5.685 5.993 -7.367 1.00 10.00 H new ATOM 0 H72 DT A 2 -4.072 5.352 -6.973 1.00 10.00 H new ATOM 0 H73 DT A 2 -5.000 4.659 -8.325 1.00 10.00 H new ATOM 0 H6 DT A 2 -6.572 5.594 -5.198 1.00 10.00 H new ATOM 63 P DG A 3 -6.636 6.881 0.178 1.00 10.00 P ATOM 64 OP1 DG A 3 -7.037 7.907 1.166 1.00 10.00 O ATOM 65 OP2 DG A 3 -5.354 7.026 -0.547 1.00 10.00 O ATOM 66 O5' DG A 3 -6.620 5.448 0.929 1.00 10.00 O ATOM 67 C5' DG A 3 -7.746 4.959 1.639 1.00 10.00 C ATOM 68 C4' DG A 3 -7.404 3.659 2.383 1.00 10.00 C ATOM 69 O4' DG A 3 -6.595 2.800 1.585 1.00 10.00 O ATOM 70 C3' DG A 3 -6.648 3.922 3.688 1.00 10.00 C ATOM 71 O3' DG A 3 -7.108 2.985 4.651 1.00 10.00 O ATOM 72 C2' DG A 3 -5.203 3.693 3.271 1.00 10.00 C ATOM 73 C1' DG A 3 -5.342 2.588 2.224 1.00 10.00 C ATOM 74 N9 DG A 3 -4.255 2.610 1.214 1.00 10.00 N ATOM 75 C8 DG A 3 -3.762 3.681 0.510 1.00 10.00 C ATOM 76 N7 DG A 3 -2.805 3.384 -0.324 1.00 10.00 N ATOM 77 C5 DG A 3 -2.655 2.011 -0.177 1.00 10.00 C ATOM 78 C6 DG A 3 -1.755 1.118 -0.830 1.00 10.00 C ATOM 79 O6 DG A 3 -0.914 1.392 -1.681 1.00 10.00 O ATOM 80 N1 DG A 3 -1.919 -0.201 -0.420 1.00 10.00 N ATOM 81 C2 DG A 3 -2.859 -0.616 0.506 1.00 10.00 C ATOM 82 N2 DG A 3 -2.902 -1.923 0.786 1.00 10.00 N ATOM 83 N3 DG A 3 -3.699 0.225 1.132 1.00 10.00 N ATOM 84 C4 DG A 3 -3.549 1.523 0.748 1.00 10.00 C ATOM 0 H5' DG A 3 -8.568 4.780 0.946 1.00 10.00 H new ATOM 0 H5'' DG A 3 -8.087 5.711 2.351 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.361 3.186 2.602 1.00 10.00 H new ATOM 0 H3' DG A 3 -6.780 4.906 4.137 1.00 10.00 H new ATOM 0 H2' DG A 3 -4.751 4.594 2.855 1.00 10.00 H new ATOM 0 H2'' DG A 3 -4.581 3.383 4.111 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.279 1.615 2.712 1.00 10.00 H new ATOM 0 H8 DG A 3 -4.136 4.686 0.637 1.00 10.00 H new ATOM 0 H1 DG A 3 -1.307 -0.907 -0.828 1.00 10.00 H new ATOM 0 H21 DG A 3 -3.578 -2.278 1.462 1.00 10.00 H new ATOM 0 H22 DG A 3 -2.259 -2.565 0.323 1.00 10.00 H new ATOM 96 P DC A 4 -6.600 2.984 6.186 1.00 10.00 P ATOM 97 OP1 DC A 4 -7.750 2.644 7.053 1.00 10.00 O ATOM 98 OP2 DC A 4 -5.832 4.225 6.433 1.00 10.00 O ATOM 99 O5' DC A 4 -5.571 1.746 6.198 1.00 10.00 O ATOM 100 C5' DC A 4 -6.025 0.403 6.234 1.00 10.00 C ATOM 101 C4' DC A 4 -4.837 -0.542 6.033 1.00 10.00 C ATOM 102 O4' DC A 4 -4.231 -0.234 4.796 1.00 10.00 O ATOM 103 C3' DC A 4 -3.765 -0.392 7.122 1.00 10.00 C ATOM 104 O3' DC A 4 -3.780 -1.514 7.992 1.00 10.00 O ATOM 105 C2' DC A 4 -2.460 -0.280 6.342 1.00 10.00 C ATOM 106 C1' DC A 4 -2.860 -0.543 4.890 1.00 10.00 C ATOM 107 N1 DC A 4 -2.101 0.366 4.003 1.00 10.00 N ATOM 108 C2 DC A 4 -1.126 -0.142 3.143 1.00 10.00 C ATOM 109 O2 DC A 4 -0.880 -1.345 3.088 1.00 10.00 O ATOM 110 N3 DC A 4 -0.437 0.738 2.362 1.00 10.00 N ATOM 111 C4 DC A 4 -0.673 2.057 2.438 1.00 10.00 C ATOM 112 N4 DC A 4 0.063 2.877 1.691 1.00 10.00 N ATOM 113 C5 DC A 4 -1.660 2.598 3.327 1.00 10.00 C ATOM 114 C6 DC A 4 -2.341 1.713 4.083 1.00 10.00 C ATOM 0 H5' DC A 4 -6.770 0.239 5.456 1.00 10.00 H new ATOM 0 H5'' DC A 4 -6.510 0.197 7.188 1.00 10.00 H new ATOM 0 H4' DC A 4 -5.221 -1.561 6.072 1.00 10.00 H new ATOM 0 H3' DC A 4 -3.921 0.472 7.767 1.00 10.00 H new ATOM 0 H2' DC A 4 -2.011 0.707 6.458 1.00 10.00 H new ATOM 0 H2'' DC A 4 -1.726 -1.007 6.690 1.00 10.00 H new ATOM 0 H1' DC A 4 -2.656 -1.574 4.600 1.00 10.00 H new ATOM 0 H41 DC A 4 -0.096 3.884 1.730 1.00 10.00 H new ATOM 0 H42 DC A 4 0.786 2.499 1.079 1.00 10.00 H new ATOM 0 H5 DC A 4 -1.848 3.660 3.388 1.00 10.00 H new ATOM 0 H6 DC A 4 -3.094 2.074 4.768 1.00 10.00 H new ATOM 126 P DA A 5 -3.018 -1.517 9.422 1.00 10.00 P ATOM 127 OP1 DA A 5 -3.552 -2.651 10.210 1.00 10.00 O ATOM 128 OP2 DA A 5 -3.084 -0.150 9.985 1.00 10.00 O ATOM 129 O5' DA A 5 -1.469 -1.834 9.084 1.00 10.00 O ATOM 130 C5' DA A 5 -1.041 -3.117 8.661 1.00 10.00 C ATOM 131 C4' DA A 5 0.490 -3.195 8.662 1.00 10.00 C ATOM 132 O4' DA A 5 1.079 -2.165 7.882 1.00 10.00 O ATOM 133 C3' DA A 5 1.076 -3.077 10.078 1.00 10.00 C ATOM 134 O3' DA A 5 1.540 -4.347 10.508 1.00 10.00 O ATOM 135 C2' DA A 5 2.185 -2.032 9.920 1.00 10.00 C ATOM 136 C1' DA A 5 2.369 -1.918 8.410 1.00 10.00 C ATOM 137 N9 DA A 5 2.868 -0.587 8.012 1.00 10.00 N ATOM 138 C8 DA A 5 2.284 0.617 8.274 1.00 10.00 C ATOM 139 N7 DA A 5 2.860 1.639 7.706 1.00 10.00 N ATOM 140 C5 DA A 5 3.918 1.063 7.012 1.00 10.00 C ATOM 141 C6 DA A 5 4.903 1.595 6.154 1.00 10.00 C ATOM 142 N6 DA A 5 4.960 2.894 5.838 1.00 10.00 N ATOM 143 N1 DA A 5 5.810 0.756 5.619 1.00 10.00 N ATOM 144 C2 DA A 5 5.742 -0.541 5.915 1.00 10.00 C ATOM 145 N3 DA A 5 4.862 -1.166 6.695 1.00 10.00 N ATOM 146 C4 DA A 5 3.956 -0.295 7.219 1.00 10.00 C ATOM 0 H5' DA A 5 -1.422 -3.323 7.661 1.00 10.00 H new ATOM 0 H5'' DA A 5 -1.451 -3.881 9.322 1.00 10.00 H new ATOM 0 H4' DA A 5 0.722 -4.172 8.237 1.00 10.00 H new ATOM 0 H3' DA A 5 0.365 -2.769 10.844 1.00 10.00 H new ATOM 0 H2' DA A 5 1.900 -1.077 10.361 1.00 10.00 H new ATOM 0 H2'' DA A 5 3.105 -2.348 10.412 1.00 10.00 H new ATOM 0 H1' DA A 5 3.115 -2.620 8.037 1.00 10.00 H new ATOM 0 H8 DA A 5 1.412 0.716 8.903 1.00 10.00 H new ATOM 0 H61 DA A 5 5.690 3.235 5.213 1.00 10.00 H new ATOM 0 H62 DA A 5 4.273 3.543 6.222 1.00 10.00 H new ATOM 0 H2 DA A 5 6.498 -1.166 5.464 1.00 10.00 H new ATOM 158 P DT A 6 2.145 -4.598 11.987 1.00 10.00 P ATOM 159 OP1 DT A 6 2.036 -6.042 12.294 1.00 10.00 O ATOM 160 OP2 DT A 6 1.567 -3.602 12.916 1.00 10.00 O ATOM 161 O5' DT A 6 3.703 -4.247 11.781 1.00 10.00 O ATOM 162 C5' DT A 6 4.534 -5.072 10.990 1.00 10.00 C ATOM 163 C4' DT A 6 5.878 -4.394 10.715 1.00 10.00 C ATOM 164 O4' DT A 6 5.708 -3.246 9.908 1.00 10.00 O ATOM 165 C3' DT A 6 6.604 -3.886 11.961 1.00 10.00 C ATOM 166 O3' DT A 6 7.404 -4.893 12.545 1.00 10.00 O ATOM 167 C2' DT A 6 7.452 -2.737 11.415 1.00 10.00 C ATOM 168 C1' DT A 6 6.897 -2.486 10.006 1.00 10.00 C ATOM 169 N1 DT A 6 6.612 -1.045 9.769 1.00 10.00 N ATOM 170 C2 DT A 6 7.352 -0.364 8.804 1.00 10.00 C ATOM 171 O2 DT A 6 8.230 -0.892 8.125 1.00 10.00 O ATOM 172 N3 DT A 6 7.048 0.978 8.635 1.00 10.00 N ATOM 173 C4 DT A 6 6.089 1.696 9.330 1.00 10.00 C ATOM 174 O4 DT A 6 5.908 2.883 9.070 1.00 10.00 O ATOM 175 C5 DT A 6 5.369 0.920 10.324 1.00 10.00 C ATOM 176 C7 DT A 6 4.312 1.599 11.173 1.00 10.00 C ATOM 177 C6 DT A 6 5.648 -0.397 10.507 1.00 10.00 C ATOM 0 H5' DT A 6 4.037 -5.297 10.047 1.00 10.00 H new ATOM 0 H5'' DT A 6 4.699 -6.022 11.498 1.00 10.00 H new ATOM 0 H4' DT A 6 6.465 -5.180 10.240 1.00 10.00 H new ATOM 0 H3' DT A 6 5.926 -3.578 12.757 1.00 10.00 H new ATOM 0 H2' DT A 6 7.366 -1.848 12.040 1.00 10.00 H new ATOM 0 H2'' DT A 6 8.509 -3.003 11.384 1.00 10.00 H new ATOM 0 HO3' DT A 6 7.855 -4.534 13.338 1.00 10.00 H new ATOM 0 H1' DT A 6 7.629 -2.778 9.253 1.00 10.00 H new ATOM 0 H3 DT A 6 7.583 1.486 7.930 1.00 10.00 H new ATOM 0 H71 DT A 6 3.544 0.875 11.445 1.00 10.00 H new ATOM 0 H72 DT A 6 4.772 1.997 12.077 1.00 10.00 H new ATOM 0 H73 DT A 6 3.859 2.413 10.608 1.00 10.00 H new ATOM 0 H6 DT A 6 5.098 -0.951 11.253 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 14.051 7.145 2.514 1.00 10.00 O ATOM 193 C5' DA B 1 15.023 6.129 2.387 1.00 10.00 C ATOM 194 C4' DA B 1 14.378 4.745 2.511 1.00 10.00 C ATOM 195 O4' DA B 1 13.679 4.625 3.738 1.00 10.00 O ATOM 196 C3' DA B 1 13.337 4.465 1.429 1.00 10.00 C ATOM 197 O3' DA B 1 13.948 4.000 0.237 1.00 10.00 O ATOM 198 C2' DA B 1 12.471 3.406 2.104 1.00 10.00 C ATOM 199 C1' DA B 1 12.701 3.606 3.601 1.00 10.00 C ATOM 200 N9 DA B 1 11.449 3.982 4.279 1.00 10.00 N ATOM 201 C8 DA B 1 10.886 5.219 4.336 1.00 10.00 C ATOM 202 N7 DA B 1 9.809 5.295 5.067 1.00 10.00 N ATOM 203 C5 DA B 1 9.633 3.989 5.513 1.00 10.00 C ATOM 204 C6 DA B 1 8.670 3.372 6.341 1.00 10.00 C ATOM 205 N6 DA B 1 7.671 4.044 6.926 1.00 10.00 N ATOM 206 N1 DA B 1 8.760 2.044 6.542 1.00 10.00 N ATOM 207 C2 DA B 1 9.752 1.364 5.971 1.00 10.00 C ATOM 208 N3 DA B 1 10.727 1.826 5.193 1.00 10.00 N ATOM 209 C4 DA B 1 10.610 3.168 5.001 1.00 10.00 C ATOM 0 H5' DA B 1 15.786 6.250 3.156 1.00 10.00 H new ATOM 0 H5'' DA B 1 15.525 6.217 1.423 1.00 10.00 H new ATOM 0 H4' DA B 1 15.209 4.045 2.427 1.00 10.00 H new ATOM 0 H3' DA B 1 12.770 5.338 1.106 1.00 10.00 H new ATOM 0 H2' DA B 1 11.420 3.532 1.846 1.00 10.00 H new ATOM 0 H2'' DA B 1 12.758 2.402 1.791 1.00 10.00 H new ATOM 0 HO5' DA B 1 13.290 6.807 3.030 1.00 10.00 H new ATOM 0 H1' DA B 1 13.043 2.681 4.065 1.00 10.00 H new ATOM 0 H8 DA B 1 11.299 6.071 3.817 1.00 10.00 H new ATOM 0 H61 DA B 1 7.001 3.550 7.516 1.00 10.00 H new ATOM 0 H62 DA B 1 7.580 5.050 6.782 1.00 10.00 H new ATOM 0 H2 DA B 1 9.767 0.302 6.164 1.00 10.00 H new ATOM 222 P DT B 2 13.122 3.860 -1.146 1.00 10.00 P ATOM 223 OP1 DT B 2 14.075 3.467 -2.208 1.00 10.00 O ATOM 224 OP2 DT B 2 12.300 5.079 -1.315 1.00 10.00 O ATOM 225 O5' DT B 2 12.125 2.622 -0.876 1.00 10.00 O ATOM 226 C5' DT B 2 12.559 1.276 -0.956 1.00 10.00 C ATOM 227 C4' DT B 2 11.427 0.351 -0.494 1.00 10.00 C ATOM 228 O4' DT B 2 10.989 0.732 0.796 1.00 10.00 O ATOM 229 C3' DT B 2 10.201 0.422 -1.409 1.00 10.00 C ATOM 230 O3' DT B 2 10.272 -0.597 -2.394 1.00 10.00 O ATOM 231 C2' DT B 2 9.030 0.252 -0.445 1.00 10.00 C ATOM 232 C1' DT B 2 9.639 0.340 0.957 1.00 10.00 C ATOM 233 N1 DT B 2 8.923 1.353 1.768 1.00 10.00 N ATOM 234 C2 DT B 2 8.206 0.963 2.897 1.00 10.00 C ATOM 235 O2 DT B 2 8.160 -0.196 3.304 1.00 10.00 O ATOM 236 N3 DT B 2 7.519 1.972 3.559 1.00 10.00 N ATOM 237 C4 DT B 2 7.489 3.312 3.197 1.00 10.00 C ATOM 238 O4 DT B 2 6.798 4.102 3.835 1.00 10.00 O ATOM 239 C5 DT B 2 8.302 3.639 2.037 1.00 10.00 C ATOM 240 C7 DT B 2 8.417 5.072 1.556 1.00 10.00 C ATOM 241 C6 DT B 2 8.962 2.662 1.368 1.00 10.00 C ATOM 0 H5' DT B 2 13.442 1.129 -0.334 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.847 1.035 -1.979 1.00 10.00 H new ATOM 0 H4' DT B 2 11.836 -0.659 -0.508 1.00 10.00 H new ATOM 0 H3' DT B 2 10.113 1.349 -1.975 1.00 10.00 H new ATOM 0 H2' DT B 2 8.281 1.029 -0.597 1.00 10.00 H new ATOM 0 H2'' DT B 2 8.532 -0.706 -0.597 1.00 10.00 H new ATOM 0 H1' DT B 2 9.561 -0.619 1.469 1.00 10.00 H new ATOM 0 H3 DT B 2 6.988 1.704 4.387 1.00 10.00 H new ATOM 0 H71 DT B 2 9.390 5.222 1.088 1.00 10.00 H new ATOM 0 H72 DT B 2 7.630 5.276 0.830 1.00 10.00 H new ATOM 0 H73 DT B 2 8.314 5.750 2.404 1.00 10.00 H new ATOM 0 H6 DT B 2 9.537 2.924 0.492 1.00 10.00 H new ATOM 254 P DG B 3 9.133 -0.803 -3.525 1.00 10.00 P ATOM 255 OP1 DG B 3 9.776 -1.407 -4.713 1.00 10.00 O ATOM 256 OP2 DG B 3 8.378 0.462 -3.667 1.00 10.00 O ATOM 257 O5' DG B 3 8.136 -1.903 -2.888 1.00 10.00 O ATOM 258 C5' DG B 3 8.559 -3.226 -2.606 1.00 10.00 C ATOM 259 C4' DG B 3 7.364 -4.093 -2.184 1.00 10.00 C ATOM 260 O4' DG B 3 6.479 -3.388 -1.318 1.00 10.00 O ATOM 261 C3' DG B 3 6.552 -4.563 -3.393 1.00 10.00 C ATOM 262 O3' DG B 3 6.177 -5.909 -3.151 1.00 10.00 O ATOM 263 C2' DG B 3 5.382 -3.588 -3.395 1.00 10.00 C ATOM 264 C1' DG B 3 5.186 -3.317 -1.904 1.00 10.00 C ATOM 265 N9 DG B 3 4.577 -1.992 -1.631 1.00 10.00 N ATOM 266 C8 DG B 3 4.920 -0.771 -2.157 1.00 10.00 C ATOM 267 N7 DG B 3 4.191 0.222 -1.729 1.00 10.00 N ATOM 268 C5 DG B 3 3.309 -0.374 -0.835 1.00 10.00 C ATOM 269 C6 DG B 3 2.265 0.208 -0.053 1.00 10.00 C ATOM 270 O6 DG B 3 1.915 1.385 -0.019 1.00 10.00 O ATOM 271 N1 DG B 3 1.614 -0.724 0.750 1.00 10.00 N ATOM 272 C2 DG B 3 1.928 -2.070 0.788 1.00 10.00 C ATOM 273 N2 DG B 3 1.205 -2.839 1.608 1.00 10.00 N ATOM 274 N3 DG B 3 2.893 -2.624 0.034 1.00 10.00 N ATOM 275 C4 DG B 3 3.549 -1.726 -0.752 1.00 10.00 C ATOM 0 H5' DG B 3 9.306 -3.214 -1.812 1.00 10.00 H new ATOM 0 H5'' DG B 3 9.036 -3.657 -3.486 1.00 10.00 H new ATOM 0 H4' DG B 3 7.790 -4.951 -1.663 1.00 10.00 H new ATOM 0 H3' DG B 3 7.057 -4.561 -4.359 1.00 10.00 H new ATOM 0 H2' DG B 3 5.612 -2.677 -3.948 1.00 10.00 H new ATOM 0 H2'' DG B 3 4.492 -4.021 -3.851 1.00 10.00 H new ATOM 0 H1' DG B 3 4.495 -4.050 -1.486 1.00 10.00 H new ATOM 0 H8 DG B 3 5.725 -0.644 -2.865 1.00 10.00 H new ATOM 0 H1 DG B 3 0.857 -0.393 1.348 1.00 10.00 H new ATOM 0 H21 DG B 3 1.398 -3.839 1.672 1.00 10.00 H new ATOM 0 H22 DG B 3 0.460 -2.426 2.170 1.00 10.00 H new ATOM 287 P DC B 4 5.335 -6.790 -4.208 1.00 10.00 P ATOM 288 OP1 DC B 4 5.818 -8.187 -4.138 1.00 10.00 O ATOM 289 OP2 DC B 4 5.310 -6.081 -5.507 1.00 10.00 O ATOM 290 O5' DC B 4 3.861 -6.726 -3.567 1.00 10.00 O ATOM 291 C5' DC B 4 3.521 -7.481 -2.418 1.00 10.00 C ATOM 292 C4' DC B 4 2.117 -7.090 -1.952 1.00 10.00 C ATOM 293 O4' DC B 4 2.106 -5.712 -1.643 1.00 10.00 O ATOM 294 C3' DC B 4 1.056 -7.326 -3.034 1.00 10.00 C ATOM 295 O3' DC B 4 0.282 -8.474 -2.722 1.00 10.00 O ATOM 296 C2' DC B 4 0.236 -6.042 -3.022 1.00 10.00 C ATOM 297 C1' DC B 4 0.801 -5.223 -1.861 1.00 10.00 C ATOM 298 N1 DC B 4 0.879 -3.795 -2.252 1.00 10.00 N ATOM 299 C2 DC B 4 0.041 -2.852 -1.657 1.00 10.00 C ATOM 300 O2 DC B 4 -0.787 -3.174 -0.808 1.00 10.00 O ATOM 301 N3 DC B 4 0.159 -1.548 -2.043 1.00 10.00 N ATOM 302 C4 DC B 4 1.041 -1.178 -2.986 1.00 10.00 C ATOM 303 N4 DC B 4 1.114 0.114 -3.324 1.00 10.00 N ATOM 304 C5 DC B 4 1.893 -2.143 -3.622 1.00 10.00 C ATOM 305 C6 DC B 4 1.771 -3.426 -3.223 1.00 10.00 C ATOM 0 H5' DC B 4 4.244 -7.300 -1.623 1.00 10.00 H new ATOM 0 H5'' DC B 4 3.558 -8.546 -2.645 1.00 10.00 H new ATOM 0 H4' DC B 4 1.879 -7.709 -1.087 1.00 10.00 H new ATOM 0 H3' DC B 4 1.471 -7.525 -4.022 1.00 10.00 H new ATOM 0 H2' DC B 4 0.329 -5.505 -3.966 1.00 10.00 H new ATOM 0 H2'' DC B 4 -0.824 -6.252 -2.878 1.00 10.00 H new ATOM 0 H1' DC B 4 0.178 -5.306 -0.971 1.00 10.00 H new ATOM 0 H41 DC B 4 1.776 0.418 -4.038 1.00 10.00 H new ATOM 0 H42 DC B 4 0.507 0.795 -2.868 1.00 10.00 H new ATOM 0 H5 DC B 4 2.600 -1.855 -4.386 1.00 10.00 H new ATOM 0 H6 DC B 4 2.393 -4.181 -3.681 1.00 10.00 H new ATOM 317 P DA B 5 -0.695 -9.187 -3.801 1.00 10.00 P ATOM 318 OP1 DA B 5 -0.999 -10.546 -3.300 1.00 10.00 O ATOM 319 OP2 DA B 5 -0.099 -9.027 -5.146 1.00 10.00 O ATOM 320 O5' DA B 5 -2.064 -8.328 -3.767 1.00 10.00 O ATOM 321 C5' DA B 5 -2.944 -8.367 -2.657 1.00 10.00 C ATOM 322 C4' DA B 5 -4.270 -7.683 -3.009 1.00 10.00 C ATOM 323 O4' DA B 5 -4.072 -6.357 -3.474 1.00 10.00 O ATOM 324 C3' DA B 5 -5.037 -8.435 -4.108 1.00 10.00 C ATOM 325 O3' DA B 5 -6.140 -9.118 -3.535 1.00 10.00 O ATOM 326 C2' DA B 5 -5.432 -7.328 -5.090 1.00 10.00 C ATOM 327 C1' DA B 5 -5.156 -6.037 -4.325 1.00 10.00 C ATOM 328 N9 DA B 5 -4.812 -4.920 -5.226 1.00 10.00 N ATOM 329 C8 DA B 5 -3.799 -4.891 -6.139 1.00 10.00 C ATOM 330 N7 DA B 5 -3.627 -3.740 -6.728 1.00 10.00 N ATOM 331 C5 DA B 5 -4.608 -2.939 -6.155 1.00 10.00 C ATOM 332 C6 DA B 5 -4.940 -1.576 -6.305 1.00 10.00 C ATOM 333 N6 DA B 5 -4.275 -0.756 -7.126 1.00 10.00 N ATOM 334 N1 DA B 5 -5.960 -1.080 -5.578 1.00 10.00 N ATOM 335 C2 DA B 5 -6.616 -1.890 -4.750 1.00 10.00 C ATOM 336 N3 DA B 5 -6.399 -3.183 -4.513 1.00 10.00 N ATOM 337 C4 DA B 5 -5.360 -3.657 -5.255 1.00 10.00 C ATOM 0 H5' DA B 5 -2.485 -7.870 -1.802 1.00 10.00 H new ATOM 0 H5'' DA B 5 -3.126 -9.401 -2.364 1.00 10.00 H new ATOM 0 H4' DA B 5 -4.845 -7.682 -2.083 1.00 10.00 H new ATOM 0 H3' DA B 5 -4.466 -9.212 -4.616 1.00 10.00 H new ATOM 0 H2' DA B 5 -4.846 -7.381 -6.007 1.00 10.00 H new ATOM 0 H2'' DA B 5 -6.481 -7.405 -5.377 1.00 10.00 H new ATOM 0 H1' DA B 5 -6.035 -5.698 -3.777 1.00 10.00 H new ATOM 0 H8 DA B 5 -3.187 -5.754 -6.357 1.00 10.00 H new ATOM 0 H61 DA B 5 -4.551 0.223 -7.202 1.00 10.00 H new ATOM 0 H62 DA B 5 -3.492 -1.110 -7.676 1.00 10.00 H new ATOM 0 H2 DA B 5 -7.429 -1.441 -4.199 1.00 10.00 H new ATOM 349 P DT B 6 -7.123 -10.068 -4.402 1.00 10.00 P ATOM 350 OP1 DT B 6 -7.791 -11.011 -3.478 1.00 10.00 O ATOM 351 OP2 DT B 6 -6.381 -10.584 -5.573 1.00 10.00 O ATOM 352 O5' DT B 6 -8.227 -9.020 -4.929 1.00 10.00 O ATOM 353 C5' DT B 6 -9.129 -8.404 -4.034 1.00 10.00 C ATOM 354 C4' DT B 6 -9.870 -7.249 -4.711 1.00 10.00 C ATOM 355 O4' DT B 6 -8.972 -6.211 -5.048 1.00 10.00 O ATOM 356 C3' DT B 6 -10.551 -7.615 -6.030 1.00 10.00 C ATOM 357 O3' DT B 6 -11.852 -8.121 -5.822 1.00 10.00 O ATOM 358 C2' DT B 6 -10.576 -6.282 -6.779 1.00 10.00 C ATOM 359 C1' DT B 6 -9.628 -5.376 -5.982 1.00 10.00 C ATOM 360 N1 DT B 6 -8.631 -4.704 -6.858 1.00 10.00 N ATOM 361 C2 DT B 6 -8.661 -3.314 -6.967 1.00 10.00 C ATOM 362 O2 DT B 6 -9.468 -2.605 -6.371 1.00 10.00 O ATOM 363 N3 DT B 6 -7.712 -2.746 -7.803 1.00 10.00 N ATOM 364 C4 DT B 6 -6.750 -3.426 -8.533 1.00 10.00 C ATOM 365 O4 DT B 6 -5.957 -2.799 -9.232 1.00 10.00 O ATOM 366 C5 DT B 6 -6.787 -4.868 -8.370 1.00 10.00 C ATOM 367 C7 DT B 6 -5.798 -5.726 -9.136 1.00 10.00 C ATOM 368 C6 DT B 6 -7.707 -5.447 -7.556 1.00 10.00 C ATOM 0 H5' DT B 6 -8.587 -8.033 -3.164 1.00 10.00 H new ATOM 0 H5'' DT B 6 -9.848 -9.140 -3.672 1.00 10.00 H new ATOM 0 H4' DT B 6 -10.622 -6.959 -3.977 1.00 10.00 H new ATOM 0 H3' DT B 6 -10.034 -8.404 -6.576 1.00 10.00 H new ATOM 0 H2' DT B 6 -10.240 -6.399 -7.809 1.00 10.00 H new ATOM 0 H2'' DT B 6 -11.583 -5.867 -6.817 1.00 10.00 H new ATOM 0 HO3' DT B 6 -12.259 -8.343 -6.686 1.00 10.00 H new ATOM 0 H1' DT B 6 -10.191 -4.581 -5.494 1.00 10.00 H new ATOM 0 H3 DT B 6 -7.723 -1.730 -7.889 1.00 10.00 H new ATOM 0 H71 DT B 6 -5.579 -6.627 -8.564 1.00 10.00 H new ATOM 0 H72 DT B 6 -6.226 -6.003 -10.099 1.00 10.00 H new ATOM 0 H73 DT B 6 -4.877 -5.165 -9.296 1.00 10.00 H new ATOM 0 H6 DT B 6 -7.714 -6.522 -7.454 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 -1.104 0.458 -5.415 1.00 10.00 O HETATM 384 C11 NF A 7 -2.035 0.546 -4.662 1.00 10.00 C HETATM 385 N21 NF A 7 -2.628 1.785 -4.383 1.00 10.00 N HETATM 386 C12 NF A 7 -2.140 2.988 -5.121 1.00 10.00 C HETATM 387 C31 NF A 7 -3.740 1.936 -3.546 1.00 10.00 C HETATM 388 O31 NF A 7 -4.243 3.013 -3.381 1.00 10.00 O HETATM 389 CX3 NF A 7 -4.278 0.718 -2.857 1.00 10.00 C HETATM 390 CXD NF A 7 -3.690 -0.549 -3.097 1.00 10.00 C HETATM 391 CXT NF A 7 -2.596 -0.669 -3.991 1.00 10.00 C HETATM 392 C91 NF A 7 -2.046 -1.905 -4.250 1.00 10.00 C HETATM 393 C81 NF A 7 -2.540 -3.053 -3.614 1.00 10.00 C HETATM 394 C71 NF A 7 -3.595 -2.963 -2.697 1.00 10.00 C HETATM 395 CXN NF A 7 -4.202 -1.703 -2.439 1.00 10.00 C HETATM 396 C61 NF A 7 -5.306 -1.557 -1.551 1.00 10.00 C HETATM 397 C51 NF A 7 -5.867 -0.291 -1.335 1.00 10.00 C HETATM 398 C41 NF A 7 -5.343 0.832 -1.991 1.00 10.00 C HETATM 399 C22 NF A 7 -1.680 4.178 -4.268 1.00 10.00 C HETATM 400 N32 NF A 7 -0.754 3.805 -3.185 1.00 10.00 N HETATM 401 C42 NF A 7 -0.437 4.962 -2.321 1.00 10.00 C HETATM 402 C52 NF A 7 0.373 4.567 -1.087 1.00 10.00 C HETATM 403 C62 NF A 7 1.874 4.413 -1.349 1.00 10.00 C HETATM 404 N72 NF A 7 2.580 4.120 -0.086 1.00 10.00 N HETATM 405 C82 NF A 7 4.050 4.104 -0.175 1.00 10.00 C HETATM 406 O13 NF A 7 2.659 3.662 3.032 1.00 10.00 O HETATM 407 C13 NF A 7 3.261 2.649 2.798 1.00 10.00 C HETATM 408 N23 NF A 7 4.309 2.639 1.871 1.00 10.00 N HETATM 409 C92 NF A 7 4.681 3.919 1.208 1.00 10.00 C HETATM 410 C33 NF A 7 5.034 1.493 1.528 1.00 10.00 C HETATM 411 O33 NF A 7 5.912 1.546 0.711 1.00 10.00 O HETATM 412 CX5 NF A 7 4.670 0.204 2.201 1.00 10.00 C HETATM 413 CXF NF A 7 3.608 0.169 3.142 1.00 10.00 C HETATM 414 CXV NF A 7 2.899 1.356 3.464 1.00 10.00 C HETATM 415 C93 NF A 7 1.877 1.324 4.389 1.00 10.00 C HETATM 416 C83 NF A 7 1.503 0.117 5.001 1.00 10.00 C HETATM 417 C73 NF A 7 2.172 -1.075 4.689 1.00 10.00 C HETATM 418 CXP NF A 7 3.252 -1.061 3.762 1.00 10.00 C HETATM 419 C63 NF A 7 3.989 -2.235 3.432 1.00 10.00 C HETATM 420 C53 NF A 7 5.040 -2.167 2.507 1.00 10.00 C HETATM 421 C43 NF A 7 5.365 -0.946 1.897 1.00 10.00 C HETATM 0 H922 NF A 7 5.766 3.966 1.112 1.00 10.00 H new HETATM 0 H912 NF A 7 4.382 4.749 1.848 1.00 10.00 H new HETATM 0 H822 NF A 7 4.369 3.298 -0.835 1.00 10.00 H new HETATM 0 H812 NF A 7 4.401 5.036 -0.617 1.00 10.00 H new HETATM 0 H722 NF A 7 2.304 4.814 0.608 1.00 10.00 H new HETATM 0 H712 NF A 7 2.266 3.213 0.258 1.00 10.00 H new HETATM 0 H622 NF A 7 2.046 3.610 -2.066 1.00 10.00 H new HETATM 0 H612 NF A 7 2.270 5.327 -1.793 1.00 10.00 H new HETATM 0 H522 NF A 7 0.225 5.319 -0.312 1.00 10.00 H new HETATM 0 H512 NF A 7 -0.015 3.627 -0.696 1.00 10.00 H new HETATM 0 H422 NF A 7 0.122 5.699 -2.897 1.00 10.00 H new HETATM 0 H412 NF A 7 -1.364 5.440 -2.005 1.00 10.00 H new HETATM 0 H322 NF A 7 -1.168 3.062 -2.622 1.00 10.00 H new HETATM 0 H312 NF A 7 0.107 3.432 -3.585 1.00 10.00 H new HETATM 0 H222 NF A 7 -1.195 4.911 -4.913 1.00 10.00 H new HETATM 0 H212 NF A 7 -2.555 4.664 -3.835 1.00 10.00 H new HETATM 0 H122 NF A 7 -1.309 2.683 -5.757 1.00 10.00 H new HETATM 0 H112 NF A 7 -2.938 3.330 -5.781 1.00 10.00 H new HETATM 0 H93 NF A 7 1.354 2.245 4.648 1.00 10.00 H new HETATM 0 H91 NF A 7 -1.220 -1.992 -4.955 1.00 10.00 H new HETATM 0 H83 NF A 7 0.687 0.107 5.724 1.00 10.00 H new HETATM 0 H81 NF A 7 -2.099 -4.025 -3.835 1.00 10.00 H new HETATM 0 H73 NF A 7 1.865 -2.011 5.156 1.00 10.00 H new HETATM 0 H71 NF A 7 -3.950 -3.856 -2.183 1.00 10.00 H new HETATM 0 H63 NF A 7 3.735 -3.187 3.899 1.00 10.00 H new HETATM 0 H61 NF A 7 -5.714 -2.429 -1.040 1.00 10.00 H new HETATM 0 H53 NF A 7 5.606 -3.065 2.261 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.712 -0.179 -0.656 1.00 10.00 H new HETATM 0 H43 NF A 7 6.179 -0.907 1.173 1.00 10.00 H new HETATM 0 H41 NF A 7 -5.786 1.812 -1.813 1.00 10.00 H new