USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 253 hydrogens (14 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= -1.28 (180deg=-1.28) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.458 (180deg=-0.961) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 26:sc= 0.0122 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.315 (180deg=-0.315) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.458 -14.247 0.254 1.00 0.00 O ATOM 2 C5' DC A 1 7.746 -15.209 -0.739 1.00 0.00 C ATOM 3 C4' DC A 1 6.850 -15.021 -1.970 1.00 0.00 C ATOM 4 O4' DC A 1 5.509 -15.194 -1.542 1.00 0.00 O ATOM 5 C3' DC A 1 6.971 -13.612 -2.568 1.00 0.00 C ATOM 6 O3' DC A 1 7.059 -13.727 -3.979 1.00 0.00 O ATOM 7 C2' DC A 1 5.665 -12.958 -2.123 1.00 0.00 C ATOM 8 C1' DC A 1 4.729 -14.163 -2.116 1.00 0.00 C ATOM 9 N1 DC A 1 3.526 -13.960 -1.261 1.00 0.00 N ATOM 10 C2 DC A 1 2.261 -13.975 -1.855 1.00 0.00 C ATOM 11 O2 DC A 1 2.129 -14.085 -3.071 1.00 0.00 O ATOM 12 N3 DC A 1 1.161 -13.865 -1.054 1.00 0.00 N ATOM 13 C4 DC A 1 1.282 -13.703 0.272 1.00 0.00 C ATOM 14 N4 DC A 1 0.175 -13.604 1.013 1.00 0.00 N ATOM 15 C5 DC A 1 2.571 -13.662 0.903 1.00 0.00 C ATOM 16 C6 DC A 1 3.652 -13.798 0.100 1.00 0.00 C ATOM 0 H5' DC A 1 7.603 -16.210 -0.332 1.00 0.00 H new ATOM 0 H5'' DC A 1 8.793 -15.130 -1.032 1.00 0.00 H new ATOM 0 H4' DC A 1 7.152 -15.739 -2.733 1.00 0.00 H new ATOM 0 H3' DC A 1 7.844 -13.041 -2.254 1.00 0.00 H new ATOM 0 H2' DC A 1 5.749 -12.494 -1.140 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.335 -12.182 -2.814 1.00 0.00 H new ATOM 0 HO5' DC A 1 8.042 -14.391 1.028 1.00 0.00 H new ATOM 0 H1' DC A 1 4.361 -14.366 -3.121 1.00 0.00 H new ATOM 0 H41 DC A 1 0.247 -13.480 2.023 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.742 -13.652 0.569 1.00 0.00 H new ATOM 0 H5 DC A 1 2.673 -13.529 1.970 1.00 0.00 H new ATOM 0 H6 DC A 1 4.639 -13.779 0.538 1.00 0.00 H new ATOM 29 P DG A 2 7.304 -12.449 -4.938 1.00 0.00 P ATOM 30 OP1 DG A 2 8.072 -12.905 -6.117 1.00 0.00 O ATOM 31 OP2 DG A 2 7.824 -11.337 -4.112 1.00 0.00 O ATOM 32 O5' DG A 2 5.816 -12.055 -5.423 1.00 0.00 O ATOM 33 C5' DG A 2 5.137 -12.803 -6.414 1.00 0.00 C ATOM 34 C4' DG A 2 3.809 -12.135 -6.790 1.00 0.00 C ATOM 35 O4' DG A 2 2.928 -12.237 -5.683 1.00 0.00 O ATOM 36 C3' DG A 2 3.980 -10.643 -7.117 1.00 0.00 C ATOM 37 O3' DG A 2 3.193 -10.390 -8.270 1.00 0.00 O ATOM 38 C2' DG A 2 3.423 -10.004 -5.845 1.00 0.00 C ATOM 39 C1' DG A 2 2.330 -10.971 -5.504 1.00 0.00 C ATOM 40 N9 DG A 2 1.781 -10.883 -4.138 1.00 0.00 N ATOM 41 C8 DG A 2 2.435 -10.632 -2.963 1.00 0.00 C ATOM 42 N7 DG A 2 1.684 -10.735 -1.902 1.00 0.00 N ATOM 43 C5 DG A 2 0.427 -11.044 -2.415 1.00 0.00 C ATOM 44 C6 DG A 2 -0.818 -11.248 -1.747 1.00 0.00 C ATOM 45 O6 DG A 2 -1.026 -11.305 -0.539 1.00 0.00 O ATOM 46 N1 DG A 2 -1.883 -11.394 -2.633 1.00 0.00 N ATOM 47 C2 DG A 2 -1.757 -11.389 -4.010 1.00 0.00 C ATOM 48 N2 DG A 2 -2.873 -11.529 -4.732 1.00 0.00 N ATOM 49 N3 DG A 2 -0.580 -11.254 -4.640 1.00 0.00 N ATOM 50 C4 DG A 2 0.468 -11.081 -3.788 1.00 0.00 C ATOM 0 H5' DG A 2 4.950 -13.813 -6.049 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.766 -12.896 -7.300 1.00 0.00 H new ATOM 0 H4' DG A 2 3.421 -12.639 -7.675 1.00 0.00 H new ATOM 0 H3' DG A 2 4.982 -10.279 -7.343 1.00 0.00 H new ATOM 0 H2' DG A 2 4.172 -9.931 -5.056 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.045 -8.997 -6.019 1.00 0.00 H new ATOM 0 H1' DG A 2 1.467 -10.759 -6.136 1.00 0.00 H new ATOM 0 H8 DG A 2 3.482 -10.371 -2.918 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.817 -11.512 -2.240 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.824 -11.531 -5.751 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.773 -11.634 -4.264 1.00 0.00 H new ATOM 62 P DC A 3 2.958 -8.921 -8.900 1.00 0.00 P ATOM 63 OP1 DC A 3 3.161 -9.010 -10.363 1.00 0.00 O ATOM 64 OP2 DC A 3 3.712 -7.921 -8.112 1.00 0.00 O ATOM 65 O5' DC A 3 1.381 -8.710 -8.620 1.00 0.00 O ATOM 66 C5' DC A 3 0.418 -9.560 -9.218 1.00 0.00 C ATOM 67 C4' DC A 3 -1.016 -9.100 -8.930 1.00 0.00 C ATOM 68 O4' DC A 3 -1.246 -9.211 -7.534 1.00 0.00 O ATOM 69 C3' DC A 3 -1.236 -7.638 -9.326 1.00 0.00 C ATOM 70 O3' DC A 3 -2.526 -7.553 -9.915 1.00 0.00 O ATOM 71 C2' DC A 3 -1.150 -6.923 -7.979 1.00 0.00 C ATOM 72 C1' DC A 3 -1.737 -7.977 -7.039 1.00 0.00 C ATOM 73 N1 DC A 3 -1.265 -7.906 -5.627 1.00 0.00 N ATOM 74 C2 DC A 3 -2.174 -8.157 -4.594 1.00 0.00 C ATOM 75 O2 DC A 3 -3.363 -8.364 -4.825 1.00 0.00 O ATOM 76 N3 DC A 3 -1.719 -8.170 -3.306 1.00 0.00 N ATOM 77 C4 DC A 3 -0.424 -7.959 -3.031 1.00 0.00 C ATOM 78 N4 DC A 3 -0.021 -7.978 -1.757 1.00 0.00 N ATOM 79 C5 DC A 3 0.538 -7.769 -4.078 1.00 0.00 C ATOM 80 C6 DC A 3 0.071 -7.752 -5.347 1.00 0.00 C ATOM 0 H5' DC A 3 0.553 -10.577 -8.849 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.580 -9.588 -10.296 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.696 -9.723 -9.510 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.535 -7.215 -10.045 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.124 -6.664 -7.716 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.725 -5.997 -7.968 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.818 -7.839 -7.022 1.00 0.00 H new ATOM 0 H41 DC A 3 0.961 -7.819 -1.530 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.695 -8.151 -1.011 1.00 0.00 H new ATOM 0 H5 DC A 3 1.589 -7.645 -3.862 1.00 0.00 H new ATOM 0 H6 DC A 3 0.767 -7.614 -6.162 1.00 0.00 H new ATOM 92 P DA A 4 -3.169 -6.162 -10.428 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.128 -6.470 -11.512 1.00 0.00 O ATOM 94 OP2 DA A 4 -2.075 -5.194 -10.666 1.00 0.00 O ATOM 95 O5' DA A 4 -4.003 -5.678 -9.134 1.00 0.00 O ATOM 96 C5' DA A 4 -5.208 -6.317 -8.759 1.00 0.00 C ATOM 97 C4' DA A 4 -5.762 -5.696 -7.476 1.00 0.00 C ATOM 98 O4' DA A 4 -4.992 -6.061 -6.355 1.00 0.00 O ATOM 99 C3' DA A 4 -5.944 -4.178 -7.522 1.00 0.00 C ATOM 100 O3' DA A 4 -7.315 -3.831 -7.353 1.00 0.00 O ATOM 101 C2' DA A 4 -5.100 -3.855 -6.332 1.00 0.00 C ATOM 102 C1' DA A 4 -5.218 -5.039 -5.416 1.00 0.00 C ATOM 103 N9 DA A 4 -4.110 -5.092 -4.467 1.00 0.00 N ATOM 104 C8 DA A 4 -2.803 -5.021 -4.808 1.00 0.00 C ATOM 105 N7 DA A 4 -1.972 -5.080 -3.805 1.00 0.00 N ATOM 106 C5 DA A 4 -2.822 -5.219 -2.709 1.00 0.00 C ATOM 107 C6 DA A 4 -2.591 -5.358 -1.326 1.00 0.00 C ATOM 108 N6 DA A 4 -1.364 -5.406 -0.799 1.00 0.00 N ATOM 109 N1 DA A 4 -3.654 -5.454 -0.507 1.00 0.00 N ATOM 110 C2 DA A 4 -4.881 -5.427 -1.024 1.00 0.00 C ATOM 111 N3 DA A 4 -5.232 -5.319 -2.301 1.00 0.00 N ATOM 112 C4 DA A 4 -4.138 -5.221 -3.103 1.00 0.00 C ATOM 0 H5' DA A 4 -5.031 -7.382 -8.608 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.941 -6.226 -9.561 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.765 -6.111 -7.383 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.673 -3.660 -8.442 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.063 -3.686 -6.622 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.446 -2.945 -5.842 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.141 -5.062 -4.836 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.473 -4.923 -5.832 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.246 -5.508 0.209 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.546 -5.341 -1.405 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.693 -5.502 -0.316 1.00 0.00 H new ATOM 124 P DT A 5 -7.824 -2.302 -7.151 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.212 -2.214 -7.654 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.791 -1.390 -7.691 1.00 0.00 O ATOM 127 O5' DT A 5 -7.860 -2.117 -5.540 1.00 0.00 O ATOM 128 C5' DT A 5 -8.826 -2.788 -4.752 1.00 0.00 C ATOM 129 C4' DT A 5 -8.673 -2.500 -3.252 1.00 0.00 C ATOM 130 O4' DT A 5 -7.437 -2.973 -2.787 1.00 0.00 O ATOM 131 C3' DT A 5 -8.822 -1.030 -2.837 1.00 0.00 C ATOM 132 O3' DT A 5 -9.933 -0.949 -1.953 1.00 0.00 O ATOM 133 C2' DT A 5 -7.502 -0.734 -2.137 1.00 0.00 C ATOM 134 C1' DT A 5 -7.026 -2.124 -1.736 1.00 0.00 C ATOM 135 N1 DT A 5 -5.553 -2.157 -1.792 1.00 0.00 N ATOM 136 C2 DT A 5 -4.831 -2.289 -0.617 1.00 0.00 C ATOM 137 O2 DT A 5 -5.352 -2.561 0.461 1.00 0.00 O ATOM 138 N3 DT A 5 -3.466 -2.089 -0.730 1.00 0.00 N ATOM 139 C4 DT A 5 -2.756 -1.962 -1.913 1.00 0.00 C ATOM 140 O4 DT A 5 -1.526 -1.939 -1.882 1.00 0.00 O ATOM 141 C5 DT A 5 -3.589 -1.866 -3.105 1.00 0.00 C ATOM 142 C7 DT A 5 -2.923 -1.681 -4.456 1.00 0.00 C ATOM 143 C6 DT A 5 -4.944 -1.945 -3.000 1.00 0.00 C ATOM 0 H5' DT A 5 -8.745 -3.862 -4.921 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.823 -2.489 -5.075 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.509 -3.029 -2.794 1.00 0.00 H new ATOM 0 H3' DT A 5 -9.004 -0.324 -3.647 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.793 -0.237 -2.800 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.638 -0.086 -1.271 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.399 -2.397 -0.749 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.934 -2.030 0.138 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.538 -2.140 -5.231 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.812 -0.617 -4.664 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.941 -2.153 -4.445 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.551 -1.838 -3.887 1.00 0.00 H new ATOM 156 P DA A 6 -10.391 0.417 -1.214 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.779 0.230 -0.735 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.072 1.554 -2.105 1.00 0.00 O ATOM 159 O5' DA A 6 -9.423 0.507 0.081 1.00 0.00 O ATOM 160 C5' DA A 6 -9.469 -0.447 1.128 1.00 0.00 C ATOM 161 C4' DA A 6 -8.464 -0.102 2.241 1.00 0.00 C ATOM 162 O4' DA A 6 -7.177 -0.551 1.854 1.00 0.00 O ATOM 163 C3' DA A 6 -8.361 1.402 2.563 1.00 0.00 C ATOM 164 O3' DA A 6 -9.013 1.691 3.790 1.00 0.00 O ATOM 165 C2' DA A 6 -6.862 1.533 2.626 1.00 0.00 C ATOM 166 C1' DA A 6 -6.242 0.179 2.621 1.00 0.00 C ATOM 167 N9 DA A 6 -4.977 0.295 1.861 1.00 0.00 N ATOM 168 C8 DA A 6 -4.879 0.517 0.525 1.00 0.00 C ATOM 169 N7 DA A 6 -3.684 0.656 0.044 1.00 0.00 N ATOM 170 C5 DA A 6 -2.909 0.509 1.177 1.00 0.00 C ATOM 171 C6 DA A 6 -1.521 0.412 1.354 1.00 0.00 C ATOM 172 N6 DA A 6 -0.678 0.333 0.319 1.00 0.00 N ATOM 173 N1 DA A 6 -1.056 0.301 2.608 1.00 0.00 N ATOM 174 C2 DA A 6 -1.926 0.283 3.616 1.00 0.00 C ATOM 175 N3 DA A 6 -3.252 0.322 3.584 1.00 0.00 N ATOM 176 C4 DA A 6 -3.689 0.417 2.307 1.00 0.00 C ATOM 0 H5' DA A 6 -9.249 -1.438 0.730 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.476 -0.486 1.543 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.831 -0.598 3.140 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.833 2.091 1.862 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.501 2.112 1.776 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.572 2.074 3.527 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.034 -0.258 3.598 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.754 0.575 -0.106 1.00 0.00 H new ATOM 0 H61 DA A 6 0.326 0.263 0.483 1.00 0.00 H new ATOM 0 H62 DA A 6 -1.039 0.342 -0.635 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.489 0.229 4.602 1.00 0.00 H new ATOM 188 P DT A 7 -9.035 3.172 4.451 1.00 0.00 P ATOM 189 OP1 DT A 7 -10.027 3.163 5.549 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.153 4.169 3.364 1.00 0.00 O ATOM 191 O5' DT A 7 -7.569 3.325 5.110 1.00 0.00 O ATOM 192 C5' DT A 7 -7.088 2.395 6.063 1.00 0.00 C ATOM 193 C4' DT A 7 -5.628 2.679 6.433 1.00 0.00 C ATOM 194 O4' DT A 7 -4.832 2.438 5.283 1.00 0.00 O ATOM 195 C3' DT A 7 -5.414 4.137 6.855 1.00 0.00 C ATOM 196 O3' DT A 7 -4.829 4.158 8.148 1.00 0.00 O ATOM 197 C2' DT A 7 -4.473 4.656 5.770 1.00 0.00 C ATOM 198 C1' DT A 7 -3.790 3.391 5.262 1.00 0.00 C ATOM 199 N1 DT A 7 -3.299 3.550 3.877 1.00 0.00 N ATOM 200 C2 DT A 7 -1.937 3.416 3.615 1.00 0.00 C ATOM 201 O2 DT A 7 -1.088 3.259 4.490 1.00 0.00 O ATOM 202 N3 DT A 7 -1.567 3.469 2.282 1.00 0.00 N ATOM 203 C4 DT A 7 -2.414 3.686 1.207 1.00 0.00 C ATOM 204 O4 DT A 7 -1.951 3.699 0.069 1.00 0.00 O ATOM 205 C5 DT A 7 -3.809 3.879 1.579 1.00 0.00 C ATOM 206 C7 DT A 7 -4.854 4.134 0.518 1.00 0.00 C ATOM 207 C6 DT A 7 -4.194 3.807 2.876 1.00 0.00 C ATOM 0 H5' DT A 7 -7.174 1.385 5.663 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.707 2.437 6.959 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.356 2.036 7.270 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.317 4.743 6.931 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.018 5.166 4.975 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.752 5.369 6.170 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.920 3.124 5.862 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.578 3.336 2.071 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.397 4.652 -0.325 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.268 3.184 0.179 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.652 4.750 0.934 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.234 3.956 3.125 1.00 0.00 H new ATOM 220 P DA A 8 -4.546 5.535 8.949 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.555 5.234 10.398 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.436 6.588 8.413 1.00 0.00 O ATOM 223 O5' DA A 8 -3.034 5.889 8.517 1.00 0.00 O ATOM 224 C5' DA A 8 -1.936 5.158 9.027 1.00 0.00 C ATOM 225 C4' DA A 8 -0.624 5.664 8.424 1.00 0.00 C ATOM 226 O4' DA A 8 -0.556 5.309 7.055 1.00 0.00 O ATOM 227 C3' DA A 8 -0.456 7.188 8.519 1.00 0.00 C ATOM 228 O3' DA A 8 0.748 7.483 9.210 1.00 0.00 O ATOM 229 C2' DA A 8 -0.425 7.554 7.061 1.00 0.00 C ATOM 230 C1' DA A 8 0.178 6.339 6.433 1.00 0.00 C ATOM 231 N9 DA A 8 -0.052 6.316 4.982 1.00 0.00 N ATOM 232 C8 DA A 8 -1.230 6.538 4.333 1.00 0.00 C ATOM 233 N7 DA A 8 -1.164 6.429 3.036 1.00 0.00 N ATOM 234 C5 DA A 8 0.176 6.129 2.812 1.00 0.00 C ATOM 235 C6 DA A 8 0.921 5.864 1.645 1.00 0.00 C ATOM 236 N6 DA A 8 0.367 5.781 0.430 1.00 0.00 N ATOM 237 N1 DA A 8 2.250 5.681 1.766 1.00 0.00 N ATOM 238 C2 DA A 8 2.808 5.725 2.975 1.00 0.00 C ATOM 239 N3 DA A 8 2.213 5.915 4.148 1.00 0.00 N ATOM 240 C4 DA A 8 0.876 6.110 3.994 1.00 0.00 C ATOM 0 H5' DA A 8 -2.061 4.099 8.802 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.903 5.251 10.113 1.00 0.00 H new ATOM 0 H4' DA A 8 0.172 5.197 9.005 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.223 7.734 9.069 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.423 7.758 6.673 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.176 8.445 6.879 1.00 0.00 H new ATOM 0 H1' DA A 8 1.259 6.273 6.559 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.145 6.784 4.852 1.00 0.00 H new ATOM 0 H61 DA A 8 0.950 5.587 -0.384 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.638 5.912 0.318 1.00 0.00 H new ATOM 0 H2 DA A 8 3.879 5.589 3.006 1.00 0.00 H new ATOM 252 P DG A 9 1.213 8.994 9.556 1.00 0.00 P ATOM 253 OP1 DG A 9 1.596 9.043 10.985 1.00 0.00 O ATOM 254 OP2 DG A 9 0.203 9.943 9.035 1.00 0.00 O ATOM 255 O5' DG A 9 2.548 9.158 8.666 1.00 0.00 O ATOM 256 C5' DG A 9 3.709 8.401 8.945 1.00 0.00 C ATOM 257 C4' DG A 9 4.919 8.874 8.128 1.00 0.00 C ATOM 258 O4' DG A 9 4.677 8.626 6.752 1.00 0.00 O ATOM 259 C3' DG A 9 5.190 10.372 8.280 1.00 0.00 C ATOM 260 O3' DG A 9 6.604 10.497 8.214 1.00 0.00 O ATOM 261 C2' DG A 9 4.430 10.956 7.093 1.00 0.00 C ATOM 262 C1' DG A 9 4.564 9.851 6.046 1.00 0.00 C ATOM 263 N9 DG A 9 3.429 9.660 5.117 1.00 0.00 N ATOM 264 C8 DG A 9 2.089 9.902 5.292 1.00 0.00 C ATOM 265 N7 DG A 9 1.366 9.675 4.229 1.00 0.00 N ATOM 266 C5 DG A 9 2.289 9.250 3.276 1.00 0.00 C ATOM 267 C6 DG A 9 2.117 8.930 1.894 1.00 0.00 C ATOM 268 O6 DG A 9 1.073 8.898 1.249 1.00 0.00 O ATOM 269 N1 DG A 9 3.321 8.625 1.259 1.00 0.00 N ATOM 270 C2 DG A 9 4.547 8.587 1.892 1.00 0.00 C ATOM 271 N2 DG A 9 5.614 8.289 1.145 1.00 0.00 N ATOM 272 N3 DG A 9 4.709 8.875 3.192 1.00 0.00 N ATOM 273 C4 DG A 9 3.548 9.206 3.823 1.00 0.00 C ATOM 0 H5' DG A 9 3.516 7.350 8.730 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.940 8.472 10.008 1.00 0.00 H new ATOM 0 H4' DG A 9 5.784 8.325 8.502 1.00 0.00 H new ATOM 0 H3' DG A 9 4.874 10.875 9.194 1.00 0.00 H new ATOM 0 H2' DG A 9 3.388 11.160 7.338 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.867 11.895 6.752 1.00 0.00 H new ATOM 0 H1' DG A 9 5.417 10.148 5.436 1.00 0.00 H new ATOM 0 H8 DG A 9 1.671 10.249 6.225 1.00 0.00 H new ATOM 0 H1 DG A 9 3.294 8.416 0.261 1.00 0.00 H new ATOM 0 H21 DG A 9 6.540 8.250 1.571 1.00 0.00 H new ATOM 0 H22 DG A 9 5.503 8.101 0.149 1.00 0.00 H new ATOM 285 P DC A 10 7.407 11.886 8.022 1.00 0.00 P ATOM 286 OP1 DC A 10 8.658 11.804 8.809 1.00 0.00 O ATOM 287 OP2 DC A 10 6.484 13.025 8.227 1.00 0.00 O ATOM 288 O5' DC A 10 7.792 11.796 6.454 1.00 0.00 O ATOM 289 C5' DC A 10 8.570 10.712 5.969 1.00 0.00 C ATOM 290 C4' DC A 10 8.963 10.867 4.494 1.00 0.00 C ATOM 291 O4' DC A 10 7.778 10.628 3.766 1.00 0.00 O ATOM 292 C3' DC A 10 9.493 12.263 4.128 1.00 0.00 C ATOM 293 O3' DC A 10 10.844 12.185 3.692 1.00 0.00 O ATOM 294 C2' DC A 10 8.557 12.702 3.004 1.00 0.00 C ATOM 295 C1' DC A 10 7.735 11.484 2.648 1.00 0.00 C ATOM 296 N1 DC A 10 6.309 11.826 2.417 1.00 0.00 N ATOM 297 C2 DC A 10 5.796 11.787 1.120 1.00 0.00 C ATOM 298 O2 DC A 10 6.539 11.644 0.151 1.00 0.00 O ATOM 299 N3 DC A 10 4.447 11.913 0.946 1.00 0.00 N ATOM 300 C4 DC A 10 3.629 12.091 1.996 1.00 0.00 C ATOM 301 N4 DC A 10 2.312 12.194 1.790 1.00 0.00 N ATOM 302 C5 DC A 10 4.148 12.168 3.332 1.00 0.00 C ATOM 303 C6 DC A 10 5.481 12.045 3.488 1.00 0.00 C ATOM 0 H5' DC A 10 8.010 9.785 6.094 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.473 10.622 6.572 1.00 0.00 H new ATOM 0 H4' DC A 10 9.776 10.177 4.269 1.00 0.00 H new ATOM 0 H3' DC A 10 9.501 12.964 4.963 1.00 0.00 H new ATOM 0 H2' DC A 10 7.918 13.524 3.327 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.122 13.057 2.142 1.00 0.00 H new ATOM 0 H1' DC A 10 8.137 11.038 1.738 1.00 0.00 H new ATOM 0 H41 DC A 10 1.681 12.329 2.580 1.00 0.00 H new ATOM 0 H42 DC A 10 1.938 12.137 0.843 1.00 0.00 H new ATOM 0 H5 DC A 10 3.496 12.319 4.179 1.00 0.00 H new ATOM 0 H6 DC A 10 5.906 12.121 4.478 1.00 0.00 H new ATOM 315 P DC A 11 11.730 13.499 3.330 1.00 0.00 P ATOM 316 OP1 DC A 11 13.152 13.093 3.314 1.00 0.00 O ATOM 317 OP2 DC A 11 11.297 14.612 4.205 1.00 0.00 O ATOM 318 O5' DC A 11 11.305 13.843 1.806 1.00 0.00 O ATOM 319 C5' DC A 11 10.814 15.117 1.427 1.00 0.00 C ATOM 320 C4' DC A 11 10.291 15.053 -0.014 1.00 0.00 C ATOM 321 O4' DC A 11 9.184 14.174 -0.084 1.00 0.00 O ATOM 322 C3' DC A 11 9.828 16.403 -0.558 1.00 0.00 C ATOM 323 O3' DC A 11 10.891 17.115 -1.154 1.00 0.00 O ATOM 324 C2' DC A 11 8.812 15.957 -1.602 1.00 0.00 C ATOM 325 C1' DC A 11 8.248 14.646 -1.040 1.00 0.00 C ATOM 326 N1 DC A 11 6.956 14.860 -0.329 1.00 0.00 N ATOM 327 C2 DC A 11 5.764 14.675 -1.035 1.00 0.00 C ATOM 328 O2 DC A 11 5.769 14.367 -2.225 1.00 0.00 O ATOM 329 N3 DC A 11 4.583 14.846 -0.376 1.00 0.00 N ATOM 330 C4 DC A 11 4.553 15.190 0.921 1.00 0.00 C ATOM 331 N4 DC A 11 3.369 15.333 1.524 1.00 0.00 N ATOM 332 C5 DC A 11 5.763 15.400 1.663 1.00 0.00 C ATOM 333 C6 DC A 11 6.927 15.228 0.995 1.00 0.00 C ATOM 0 H5' DC A 11 11.606 15.862 1.506 1.00 0.00 H new ATOM 0 H5'' DC A 11 10.016 15.427 2.102 1.00 0.00 H new ATOM 0 H4' DC A 11 11.132 14.709 -0.617 1.00 0.00 H new ATOM 0 H3' DC A 11 9.435 17.081 0.200 1.00 0.00 H new ATOM 0 H2' DC A 11 8.028 16.702 -1.739 1.00 0.00 H new ATOM 0 H2'' DC A 11 9.280 15.805 -2.574 1.00 0.00 H new ATOM 0 HO3' DC A 11 10.561 17.973 -1.493 1.00 0.00 H new ATOM 0 H1' DC A 11 8.080 13.949 -1.861 1.00 0.00 H new ATOM 0 H41 DC A 11 3.327 15.594 2.509 1.00 0.00 H new ATOM 0 H42 DC A 11 2.508 15.181 0.999 1.00 0.00 H new ATOM 0 H5 DC A 11 5.745 15.682 2.705 1.00 0.00 H new ATOM 0 H6 DC A 11 7.860 15.384 1.517 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -5.165 14.454 -5.516 1.00 0.00 O ATOM 348 C5' DG B 12 -4.625 15.118 -6.640 1.00 0.00 C ATOM 349 C4' DG B 12 -3.194 14.643 -6.918 1.00 0.00 C ATOM 350 O4' DG B 12 -2.420 14.945 -5.772 1.00 0.00 O ATOM 351 C3' DG B 12 -3.117 13.126 -7.149 1.00 0.00 C ATOM 352 O3' DG B 12 -2.452 12.891 -8.379 1.00 0.00 O ATOM 353 C2' DG B 12 -2.309 12.646 -5.945 1.00 0.00 C ATOM 354 C1' DG B 12 -1.511 13.883 -5.581 1.00 0.00 C ATOM 355 N9 DG B 12 -1.095 13.900 -4.160 1.00 0.00 N ATOM 356 C8 DG B 12 -1.892 13.911 -3.043 1.00 0.00 C ATOM 357 N7 DG B 12 -1.240 14.016 -1.920 1.00 0.00 N ATOM 358 C5 DG B 12 0.091 14.075 -2.315 1.00 0.00 C ATOM 359 C6 DG B 12 1.273 14.205 -1.526 1.00 0.00 C ATOM 360 O6 DG B 12 1.361 14.291 -0.304 1.00 0.00 O ATOM 361 N1 DG B 12 2.429 14.229 -2.301 1.00 0.00 N ATOM 362 C2 DG B 12 2.448 14.118 -3.680 1.00 0.00 C ATOM 363 N2 DG B 12 3.646 14.120 -4.273 1.00 0.00 N ATOM 364 N3 DG B 12 1.337 13.997 -4.424 1.00 0.00 N ATOM 365 C4 DG B 12 0.193 13.985 -3.684 1.00 0.00 C ATOM 0 H5' DG B 12 -4.629 16.194 -6.468 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.251 14.932 -7.513 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.834 15.140 -7.819 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.076 12.613 -7.221 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.952 12.321 -5.127 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.664 11.805 -6.197 1.00 0.00 H new ATOM 0 HO5' DG B 12 -4.438 14.162 -4.928 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.601 13.936 -6.179 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.969 13.839 -3.091 1.00 0.00 H new ATOM 0 H1 DG B 12 3.322 14.336 -1.820 1.00 0.00 H new ATOM 0 H21 DG B 12 3.713 14.041 -5.288 1.00 0.00 H new ATOM 0 H22 DG B 12 4.493 14.201 -3.711 1.00 0.00 H new ATOM 378 P DG B 13 -2.225 11.405 -8.975 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.185 11.505 -10.451 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.187 10.485 -8.328 1.00 0.00 O ATOM 381 O5' DG B 13 -0.745 11.028 -8.454 1.00 0.00 O ATOM 382 C5' DG B 13 0.397 11.705 -8.939 1.00 0.00 C ATOM 383 C4' DG B 13 1.694 11.112 -8.375 1.00 0.00 C ATOM 384 O4' DG B 13 1.731 11.354 -6.977 1.00 0.00 O ATOM 385 C3' DG B 13 1.785 9.597 -8.578 1.00 0.00 C ATOM 386 O3' DG B 13 3.160 9.329 -8.808 1.00 0.00 O ATOM 387 C2' DG B 13 1.294 9.066 -7.230 1.00 0.00 C ATOM 388 C1' DG B 13 1.853 10.118 -6.292 1.00 0.00 C ATOM 389 N9 DG B 13 1.221 10.301 -4.968 1.00 0.00 N ATOM 390 C8 DG B 13 -0.085 10.167 -4.571 1.00 0.00 C ATOM 391 N7 DG B 13 -0.284 10.419 -3.306 1.00 0.00 N ATOM 392 C5 DG B 13 0.982 10.735 -2.821 1.00 0.00 C ATOM 393 C6 DG B 13 1.421 11.050 -1.498 1.00 0.00 C ATOM 394 O6 DG B 13 0.740 11.186 -0.485 1.00 0.00 O ATOM 395 N1 DG B 13 2.803 11.210 -1.417 1.00 0.00 N ATOM 396 C2 DG B 13 3.661 11.132 -2.498 1.00 0.00 C ATOM 397 N2 DG B 13 4.962 11.321 -2.268 1.00 0.00 N ATOM 398 N3 DG B 13 3.247 10.871 -3.744 1.00 0.00 N ATOM 399 C4 DG B 13 1.904 10.674 -3.837 1.00 0.00 C ATOM 0 H5' DG B 13 0.334 12.760 -8.673 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.416 11.651 -10.028 1.00 0.00 H new ATOM 0 H4' DG B 13 2.523 11.583 -8.903 1.00 0.00 H new ATOM 0 H3' DG B 13 1.218 9.160 -9.400 1.00 0.00 H new ATOM 0 H2' DG B 13 0.207 9.004 -7.181 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.680 8.070 -7.012 1.00 0.00 H new ATOM 0 H1' DG B 13 2.860 9.774 -6.057 1.00 0.00 H new ATOM 0 H8 DG B 13 -0.878 9.879 -5.245 1.00 0.00 H new ATOM 0 H1 DG B 13 3.208 11.397 -0.500 1.00 0.00 H new ATOM 0 H21 DG B 13 5.629 11.272 -3.039 1.00 0.00 H new ATOM 0 H22 DG B 13 5.290 11.515 -1.322 1.00 0.00 H new ATOM 411 P DC B 14 3.763 7.858 -9.097 1.00 0.00 P ATOM 412 OP1 DC B 14 4.503 7.905 -10.378 1.00 0.00 O ATOM 413 OP2 DC B 14 2.708 6.840 -8.892 1.00 0.00 O ATOM 414 O5' DC B 14 4.832 7.736 -7.894 1.00 0.00 O ATOM 415 C5' DC B 14 5.968 8.581 -7.845 1.00 0.00 C ATOM 416 C4' DC B 14 6.833 8.303 -6.611 1.00 0.00 C ATOM 417 O4' DC B 14 6.074 8.635 -5.460 1.00 0.00 O ATOM 418 C3' DC B 14 7.226 6.825 -6.505 1.00 0.00 C ATOM 419 O3' DC B 14 8.599 6.779 -6.151 1.00 0.00 O ATOM 420 C2' DC B 14 6.301 6.326 -5.395 1.00 0.00 C ATOM 421 C1' DC B 14 6.176 7.577 -4.525 1.00 0.00 C ATOM 422 N1 DC B 14 4.926 7.607 -3.711 1.00 0.00 N ATOM 423 C2 DC B 14 5.010 7.759 -2.321 1.00 0.00 C ATOM 424 O2 DC B 14 6.094 7.809 -1.746 1.00 0.00 O ATOM 425 N3 DC B 14 3.854 7.853 -1.598 1.00 0.00 N ATOM 426 C4 DC B 14 2.658 7.800 -2.201 1.00 0.00 C ATOM 427 N4 DC B 14 1.545 7.888 -1.466 1.00 0.00 N ATOM 428 C5 DC B 14 2.550 7.679 -3.624 1.00 0.00 C ATOM 429 C6 DC B 14 3.698 7.595 -4.331 1.00 0.00 C ATOM 0 H5' DC B 14 5.646 9.622 -7.836 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.565 8.440 -8.746 1.00 0.00 H new ATOM 0 H4' DC B 14 7.744 8.896 -6.693 1.00 0.00 H new ATOM 0 H3' DC B 14 7.120 6.223 -7.407 1.00 0.00 H new ATOM 0 H2' DC B 14 5.337 5.996 -5.781 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.730 5.486 -4.848 1.00 0.00 H new ATOM 0 H1' DC B 14 7.015 7.628 -3.832 1.00 0.00 H new ATOM 0 H41 DC B 14 0.631 7.849 -1.918 1.00 0.00 H new ATOM 0 H42 DC B 14 1.610 7.995 -0.454 1.00 0.00 H new ATOM 0 H5 DC B 14 1.587 7.656 -4.113 1.00 0.00 H new ATOM 0 H6 DC B 14 3.651 7.517 -5.407 1.00 0.00 H new ATOM 441 P DT B 15 9.427 5.398 -6.048 1.00 0.00 P ATOM 442 OP1 DT B 15 10.869 5.718 -6.139 1.00 0.00 O ATOM 443 OP2 DT B 15 8.831 4.417 -6.982 1.00 0.00 O ATOM 444 O5' DT B 15 9.110 4.919 -4.545 1.00 0.00 O ATOM 445 C5' DT B 15 9.640 5.598 -3.423 1.00 0.00 C ATOM 446 C4' DT B 15 9.131 4.980 -2.115 1.00 0.00 C ATOM 447 O4' DT B 15 7.765 5.298 -2.007 1.00 0.00 O ATOM 448 C3' DT B 15 9.174 3.440 -2.064 1.00 0.00 C ATOM 449 O3' DT B 15 10.332 2.839 -1.482 1.00 0.00 O ATOM 450 C2' DT B 15 7.841 3.044 -1.429 1.00 0.00 C ATOM 451 C1' DT B 15 7.210 4.393 -1.077 1.00 0.00 C ATOM 452 N1 DT B 15 5.752 4.416 -1.339 1.00 0.00 N ATOM 453 C2 DT B 15 4.892 4.867 -0.344 1.00 0.00 C ATOM 454 O2 DT B 15 5.269 5.197 0.777 1.00 0.00 O ATOM 455 N3 DT B 15 3.550 4.929 -0.687 1.00 0.00 N ATOM 456 C4 DT B 15 3.000 4.588 -1.912 1.00 0.00 C ATOM 457 O4 DT B 15 1.786 4.676 -2.081 1.00 0.00 O ATOM 458 C5 DT B 15 3.968 4.145 -2.901 1.00 0.00 C ATOM 459 C7 DT B 15 3.501 3.786 -4.297 1.00 0.00 C ATOM 460 C6 DT B 15 5.285 4.070 -2.584 1.00 0.00 C ATOM 0 H5' DT B 15 9.360 6.651 -3.465 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.729 5.556 -3.449 1.00 0.00 H new ATOM 0 H4' DT B 15 9.777 5.371 -1.329 1.00 0.00 H new ATOM 0 H3' DT B 15 9.288 3.034 -3.069 1.00 0.00 H new ATOM 0 H2' DT B 15 7.218 2.476 -2.120 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.984 2.423 -0.545 1.00 0.00 H new ATOM 0 H1' DT B 15 7.386 4.615 -0.025 1.00 0.00 H new ATOM 0 H3 DT B 15 2.905 5.257 0.032 1.00 0.00 H new ATOM 0 H71 DT B 15 4.297 3.994 -5.012 1.00 0.00 H new ATOM 0 H72 DT B 15 3.247 2.727 -4.335 1.00 0.00 H new ATOM 0 H73 DT B 15 2.622 4.379 -4.550 1.00 0.00 H new ATOM 0 H6 DT B 15 5.986 3.729 -3.331 1.00 0.00 H new ATOM 473 P DA B 16 10.892 3.098 0.027 1.00 0.00 P ATOM 474 OP1 DA B 16 11.162 4.541 0.208 1.00 0.00 O ATOM 475 OP2 DA B 16 11.987 2.130 0.259 1.00 0.00 O ATOM 476 O5' DA B 16 9.679 2.686 1.005 1.00 0.00 O ATOM 477 C5' DA B 16 9.691 3.012 2.382 1.00 0.00 C ATOM 478 C4' DA B 16 8.454 2.447 3.096 1.00 0.00 C ATOM 479 O4' DA B 16 7.286 2.834 2.407 1.00 0.00 O ATOM 480 C3' DA B 16 8.360 0.933 3.129 1.00 0.00 C ATOM 481 O3' DA B 16 8.978 0.370 4.279 1.00 0.00 O ATOM 482 C2' DA B 16 6.933 0.532 2.834 1.00 0.00 C ATOM 483 C1' DA B 16 6.317 1.897 2.824 1.00 0.00 C ATOM 484 N9 DA B 16 5.146 1.951 1.950 1.00 0.00 N ATOM 485 C8 DA B 16 5.144 1.652 0.628 1.00 0.00 C ATOM 486 N7 DA B 16 3.995 1.834 0.036 1.00 0.00 N ATOM 487 C5 DA B 16 3.158 2.220 1.085 1.00 0.00 C ATOM 488 C6 DA B 16 1.787 2.547 1.163 1.00 0.00 C ATOM 489 N6 DA B 16 1.006 2.704 0.087 1.00 0.00 N ATOM 490 N1 DA B 16 1.241 2.714 2.385 1.00 0.00 N ATOM 491 C2 DA B 16 2.017 2.618 3.465 1.00 0.00 C ATOM 492 N3 DA B 16 3.326 2.397 3.519 1.00 0.00 N ATOM 493 C4 DA B 16 3.842 2.206 2.277 1.00 0.00 C ATOM 0 H5' DA B 16 9.721 4.095 2.502 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.595 2.615 2.845 1.00 0.00 H new ATOM 0 H4' DA B 16 8.546 2.834 4.111 1.00 0.00 H new ATOM 0 H3' DA B 16 8.959 0.483 2.337 1.00 0.00 H new ATOM 0 H2' DA B 16 6.828 0.013 1.881 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.509 -0.118 3.600 1.00 0.00 H new ATOM 0 H1' DA B 16 5.979 2.136 3.832 1.00 0.00 H new ATOM 0 H8 DA B 16 6.020 1.293 0.108 1.00 0.00 H new ATOM 0 H61 DA B 16 0.021 2.941 0.202 1.00 0.00 H new ATOM 0 H62 DA B 16 1.397 2.587 -0.848 1.00 0.00 H new ATOM 0 H2 DA B 16 1.519 2.735 4.416 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.305 -1.055 4.072 1.00 0.00 N HETATM 506 C2 T41 B 17 2.005 -0.643 3.786 1.00 0.00 C HETATM 507 N3 T41 B 17 1.651 -0.623 2.446 1.00 0.00 N HETATM 508 C4 T41 B 17 2.459 -0.970 1.375 1.00 0.00 C HETATM 509 C5 T41 B 17 3.785 -1.407 1.761 1.00 0.00 C HETATM 510 C5M T41 B 17 4.791 -1.838 0.721 1.00 0.00 C HETATM 511 C6 T41 B 17 4.149 -1.435 3.061 1.00 0.00 C HETATM 512 O2 T41 B 17 1.194 -0.310 4.647 1.00 0.00 O HETATM 513 O4 T41 B 17 2.031 -0.890 0.227 1.00 0.00 O HETATM 514 C1' T41 B 17 3.771 -0.996 5.482 1.00 0.00 C HETATM 515 C2' T41 B 17 4.260 -2.262 6.113 1.00 0.00 C HETATM 516 O2' T41 B 17 5.121 -2.990 5.290 1.00 0.00 O HETATM 517 C3' T41 B 17 5.062 -1.764 7.305 1.00 0.00 C HETATM 518 C4' T41 B 17 5.542 -0.389 6.816 1.00 0.00 C HETATM 519 O3' T41 B 17 4.270 -1.554 8.466 1.00 0.00 O HETATM 520 O4' T41 B 17 4.816 -0.058 5.639 1.00 0.00 O HETATM 521 C5' T41 B 17 7.035 -0.331 6.466 1.00 0.00 C HETATM 522 O5' T41 B 17 7.383 -1.241 5.438 1.00 0.00 O HETATM 523 C6' T41 B 17 4.716 -4.314 5.370 1.00 0.00 C HETATM 524 P T41 B 17 8.831 -1.186 4.715 1.00 0.00 P HETATM 525 O1P T41 B 17 9.861 -1.471 5.738 1.00 0.00 O HETATM 526 O2P T41 B 17 8.764 -2.012 3.488 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.396 -2.686 0.162 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.984 -1.011 0.037 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.720 -2.128 1.212 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.294 0.681 6.155 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.623 -0.551 7.357 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.427 -2.926 6.344 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.153 -1.773 3.316 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.375 0.307 7.638 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.834 -2.479 7.590 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.701 -0.323 2.226 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.785 -4.654 6.403 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.685 -4.400 5.028 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.359 -4.930 4.742 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.847 -0.724 5.993 1.00 0.00 H new ATOM 541 P DA B 18 3.621 -2.758 9.327 1.00 0.00 P ATOM 542 OP1 DA B 18 3.579 -2.333 10.744 1.00 0.00 O ATOM 543 OP2 DA B 18 4.303 -4.020 8.964 1.00 0.00 O ATOM 544 O5' DA B 18 2.104 -2.832 8.779 1.00 0.00 O ATOM 545 C5' DA B 18 1.119 -1.893 9.179 1.00 0.00 C ATOM 546 C4' DA B 18 -0.235 -2.269 8.566 1.00 0.00 C ATOM 547 O4' DA B 18 -0.116 -2.165 7.168 1.00 0.00 O ATOM 548 C3' DA B 18 -0.650 -3.708 8.900 1.00 0.00 C ATOM 549 O3' DA B 18 -1.864 -3.655 9.633 1.00 0.00 O ATOM 550 C2' DA B 18 -0.798 -4.325 7.510 1.00 0.00 C ATOM 551 C1' DA B 18 -0.994 -3.119 6.626 1.00 0.00 C ATOM 552 N9 DA B 18 -0.554 -3.320 5.231 1.00 0.00 N ATOM 553 C8 DA B 18 0.718 -3.617 4.812 1.00 0.00 C ATOM 554 N7 DA B 18 0.879 -3.607 3.521 1.00 0.00 N ATOM 555 C5 DA B 18 -0.380 -3.264 3.046 1.00 0.00 C ATOM 556 C6 DA B 18 -0.871 -3.031 1.749 1.00 0.00 C ATOM 557 N6 DA B 18 -0.116 -3.066 0.646 1.00 0.00 N ATOM 558 N1 DA B 18 -2.157 -2.683 1.618 1.00 0.00 N ATOM 559 C2 DA B 18 -2.942 -2.564 2.681 1.00 0.00 C ATOM 560 N3 DA B 18 -2.595 -2.745 3.958 1.00 0.00 N ATOM 561 C4 DA B 18 -1.278 -3.099 4.077 1.00 0.00 C ATOM 0 H5' DA B 18 1.407 -0.891 8.860 1.00 0.00 H new ATOM 0 H5'' DA B 18 1.043 -1.872 10.266 1.00 0.00 H new ATOM 0 H4' DA B 18 -0.991 -1.598 8.974 1.00 0.00 H new ATOM 0 H3' DA B 18 0.039 -4.285 9.517 1.00 0.00 H new ATOM 0 H2' DA B 18 0.086 -4.896 7.225 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.647 -5.006 7.459 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.053 -2.861 6.599 1.00 0.00 H new ATOM 0 H8 DA B 18 1.521 -3.841 5.498 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.537 -2.887 -0.266 1.00 0.00 H new ATOM 0 H62 DA B 18 0.881 -3.271 0.717 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.970 -2.292 2.494 1.00 0.00 H new ATOM 573 P DT B 19 -2.695 -4.975 10.057 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.490 -4.653 11.264 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.777 -6.135 10.066 1.00 0.00 O ATOM 576 O5' DT B 19 -3.709 -5.140 8.814 1.00 0.00 O ATOM 577 C5' DT B 19 -4.675 -4.147 8.521 1.00 0.00 C ATOM 578 C4' DT B 19 -5.488 -4.525 7.279 1.00 0.00 C ATOM 579 O4' DT B 19 -4.614 -4.455 6.165 1.00 0.00 O ATOM 580 C3' DT B 19 -6.046 -5.957 7.353 1.00 0.00 C ATOM 581 O3' DT B 19 -7.442 -5.923 7.102 1.00 0.00 O ATOM 582 C2' DT B 19 -5.278 -6.673 6.243 1.00 0.00 C ATOM 583 C1' DT B 19 -4.932 -5.534 5.315 1.00 0.00 C ATOM 584 N1 DT B 19 -3.826 -5.796 4.373 1.00 0.00 N ATOM 585 C2 DT B 19 -4.001 -5.670 2.998 1.00 0.00 C ATOM 586 O2 DT B 19 -5.068 -5.364 2.473 1.00 0.00 O ATOM 587 N3 DT B 19 -2.872 -5.917 2.229 1.00 0.00 N ATOM 588 C4 DT B 19 -1.620 -6.287 2.700 1.00 0.00 C ATOM 589 O4 DT B 19 -0.692 -6.455 1.913 1.00 0.00 O ATOM 590 C5 DT B 19 -1.547 -6.435 4.143 1.00 0.00 C ATOM 591 C7 DT B 19 -0.258 -6.904 4.788 1.00 0.00 C ATOM 592 C6 DT B 19 -2.640 -6.174 4.903 1.00 0.00 C ATOM 0 H5' DT B 19 -4.180 -3.189 8.359 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.343 -4.021 9.373 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.333 -3.841 7.200 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.926 -6.450 8.318 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.388 -7.176 6.622 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.886 -7.431 5.749 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.779 -5.344 4.656 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.972 -5.817 1.219 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.174 -6.476 5.787 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.261 -7.992 4.859 1.00 0.00 H new ATOM 0 H73 DT B 19 0.590 -6.582 4.183 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.560 -6.272 5.976 1.00 0.00 H new ATOM 605 P DG B 20 -8.359 -7.257 7.113 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.714 -6.879 7.571 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.623 -8.332 7.814 1.00 0.00 O ATOM 608 O5' DG B 20 -8.447 -7.651 5.548 1.00 0.00 O ATOM 609 C5' DG B 20 -9.184 -6.862 4.634 1.00 0.00 C ATOM 610 C4' DG B 20 -9.243 -7.507 3.244 1.00 0.00 C ATOM 611 O4' DG B 20 -7.957 -7.447 2.648 1.00 0.00 O ATOM 612 C3' DG B 20 -9.645 -8.987 3.296 1.00 0.00 C ATOM 613 O3' DG B 20 -10.581 -9.170 2.246 1.00 0.00 O ATOM 614 C2' DG B 20 -8.304 -9.689 3.073 1.00 0.00 C ATOM 615 C1' DG B 20 -7.663 -8.718 2.097 1.00 0.00 C ATOM 616 N9 DG B 20 -6.195 -8.803 1.983 1.00 0.00 N ATOM 617 C8 DG B 20 -5.282 -8.998 2.978 1.00 0.00 C ATOM 618 N7 DG B 20 -4.040 -8.968 2.583 1.00 0.00 N ATOM 619 C5 DG B 20 -4.137 -8.757 1.210 1.00 0.00 C ATOM 620 C6 DG B 20 -3.116 -8.685 0.214 1.00 0.00 C ATOM 621 O6 DG B 20 -1.900 -8.688 0.379 1.00 0.00 O ATOM 622 N1 DG B 20 -3.632 -8.606 -1.078 1.00 0.00 N ATOM 623 C2 DG B 20 -4.983 -8.555 -1.373 1.00 0.00 C ATOM 624 N2 DG B 20 -5.332 -8.503 -2.662 1.00 0.00 N ATOM 625 N3 DG B 20 -5.942 -8.567 -0.435 1.00 0.00 N ATOM 626 C4 DG B 20 -5.456 -8.678 0.831 1.00 0.00 C ATOM 0 H5' DG B 20 -8.729 -5.874 4.557 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.196 -6.719 5.012 1.00 0.00 H new ATOM 0 H4' DG B 20 -9.992 -6.957 2.674 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.118 -9.359 4.205 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.730 -9.795 3.994 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.420 -10.688 2.653 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.046 -8.928 1.098 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.565 -9.163 4.007 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.972 -8.584 -1.855 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.317 -8.464 -2.922 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.613 -8.502 -3.385 1.00 0.00 H new ATOM 638 P DC B 21 -11.173 -10.603 1.792 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.615 -10.436 1.505 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.727 -11.645 2.743 1.00 0.00 O ATOM 641 O5' DC B 21 -10.399 -10.815 0.391 1.00 0.00 O ATOM 642 C5' DC B 21 -10.562 -9.889 -0.670 1.00 0.00 C ATOM 643 C4' DC B 21 -9.874 -10.357 -1.958 1.00 0.00 C ATOM 644 O4' DC B 21 -8.476 -10.294 -1.734 1.00 0.00 O ATOM 645 C3' DC B 21 -10.233 -11.806 -2.316 1.00 0.00 C ATOM 646 O3' DC B 21 -10.434 -11.882 -3.719 1.00 0.00 O ATOM 647 C2' DC B 21 -8.985 -12.557 -1.857 1.00 0.00 C ATOM 648 C1' DC B 21 -7.896 -11.522 -2.129 1.00 0.00 C ATOM 649 N1 DC B 21 -6.696 -11.716 -1.273 1.00 0.00 N ATOM 650 C2 DC B 21 -5.429 -11.765 -1.860 1.00 0.00 C ATOM 651 O2 DC B 21 -5.285 -11.734 -3.079 1.00 0.00 O ATOM 652 N3 DC B 21 -4.336 -11.847 -1.046 1.00 0.00 N ATOM 653 C4 DC B 21 -4.466 -11.889 0.288 1.00 0.00 C ATOM 654 N4 DC B 21 -3.365 -11.943 1.042 1.00 0.00 N ATOM 655 C5 DC B 21 -5.756 -11.809 0.911 1.00 0.00 C ATOM 656 C6 DC B 21 -6.829 -11.723 0.094 1.00 0.00 C ATOM 0 H5' DC B 21 -10.154 -8.923 -0.373 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.625 -9.741 -0.861 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.200 -9.719 -2.779 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.141 -12.204 -1.862 1.00 0.00 H new ATOM 0 H2' DC B 21 -9.036 -12.833 -0.804 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.828 -13.477 -2.421 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.578 -11.582 -3.170 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.444 -11.975 2.058 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.445 -11.952 0.601 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.865 -11.817 1.985 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.816 -11.658 0.527 1.00 0.00 H new ATOM 668 P DG B 22 -10.831 -13.259 -4.468 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.620 -12.918 -5.673 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.382 -14.203 -3.471 1.00 0.00 O ATOM 671 O5' DG B 22 -9.397 -13.817 -4.949 1.00 0.00 O ATOM 672 C5' DG B 22 -8.692 -13.200 -6.010 1.00 0.00 C ATOM 673 C4' DG B 22 -7.347 -13.894 -6.238 1.00 0.00 C ATOM 674 O4' DG B 22 -6.563 -13.720 -5.072 1.00 0.00 O ATOM 675 C3' DG B 22 -7.486 -15.408 -6.460 1.00 0.00 C ATOM 676 O3' DG B 22 -6.901 -15.773 -7.693 1.00 0.00 O ATOM 677 C2' DG B 22 -6.688 -16.009 -5.310 1.00 0.00 C ATOM 678 C1' DG B 22 -5.753 -14.869 -4.957 1.00 0.00 C ATOM 679 N9 DG B 22 -5.206 -14.930 -3.584 1.00 0.00 N ATOM 680 C8 DG B 22 -5.872 -15.050 -2.389 1.00 0.00 C ATOM 681 N7 DG B 22 -5.099 -15.003 -1.340 1.00 0.00 N ATOM 682 C5 DG B 22 -3.823 -14.843 -1.872 1.00 0.00 C ATOM 683 C6 DG B 22 -2.562 -14.695 -1.218 1.00 0.00 C ATOM 684 O6 DG B 22 -2.333 -14.668 -0.011 1.00 0.00 O ATOM 685 N1 DG B 22 -1.506 -14.569 -2.117 1.00 0.00 N ATOM 686 C2 DG B 22 -1.647 -14.583 -3.493 1.00 0.00 C ATOM 687 N2 DG B 22 -0.540 -14.445 -4.227 1.00 0.00 N ATOM 688 N3 DG B 22 -2.834 -14.693 -4.108 1.00 0.00 N ATOM 689 C4 DG B 22 -3.879 -14.816 -3.245 1.00 0.00 C ATOM 0 H5' DG B 22 -8.530 -12.147 -5.782 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.288 -13.241 -6.922 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.900 -13.454 -7.129 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.523 -15.743 -6.487 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.326 -16.290 -4.472 1.00 0.00 H new ATOM 0 H2'' DG B 22 -6.146 -16.905 -5.612 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.993 -16.740 -7.825 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.880 -14.892 -5.609 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.943 -15.173 -2.324 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.566 -14.459 -1.736 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.599 -14.450 -5.245 1.00 0.00 H new ATOM 0 H22 DG B 22 0.365 -14.335 -3.769 1.00 0.00 H new TER 702 DG B 22