USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 280 hydrogens (75 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 NoAdj-H: A 31 DAGHN41 : A 31 DAG N4 : A 32 DSR O1 :(H bumps) USER MOD NoAdj-H: A 36 MTC H12 : A 36 MTC C1 : A 31 DAG O1 :(H bumps) USER MOD Single : A 1 DC O5' : rot -9:sc= 1.21 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.243 (180deg=-0.243) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DG O3' : rot 180:sc= 0 USER MOD Single : A 15 DC O5' : rot 180:sc= 0 USER MOD Single : A 22 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD Single : A 31 DAG O3 : rot -116:sc= 1.13 USER MOD Single : A 32 DSR O3 : rot 129:sc= 1.6 USER MOD Single : A 34 MRP O2 : rot 81:sc= 0.603 USER MOD Single : A 34 MRP O4 : rot -25:sc= 0 USER MOD Single : A 36 MTC C16 :methyl 138:sc= -0.0723 (180deg=-2.49!) USER MOD Single : A 36 MTC O8 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.475 -12.479 -9.486 1.00 0.00 O ATOM 2 C5' DC A 1 3.588 -11.651 -10.257 1.00 0.00 C ATOM 3 C4' DC A 1 4.122 -10.221 -10.509 1.00 0.00 C ATOM 4 O4' DC A 1 3.194 -9.537 -11.405 1.00 0.00 O ATOM 5 C3' DC A 1 4.165 -9.306 -9.261 1.00 0.00 C ATOM 6 O3' DC A 1 5.414 -9.199 -8.522 1.00 0.00 O ATOM 7 C2' DC A 1 3.862 -7.932 -9.844 1.00 0.00 C ATOM 8 C1' DC A 1 3.361 -8.134 -11.261 1.00 0.00 C ATOM 9 N1 DC A 1 2.045 -7.455 -11.508 1.00 0.00 N ATOM 10 C2 DC A 1 2.019 -6.253 -12.288 1.00 0.00 C ATOM 11 O2 DC A 1 2.965 -5.903 -13.012 1.00 0.00 O ATOM 12 N3 DC A 1 0.933 -5.427 -12.203 1.00 0.00 N ATOM 13 C4 DC A 1 -0.092 -5.723 -11.393 1.00 0.00 C ATOM 14 N4 DC A 1 -1.115 -4.860 -11.334 1.00 0.00 N ATOM 15 C5 DC A 1 -0.092 -6.912 -10.597 1.00 0.00 C ATOM 16 C6 DC A 1 0.964 -7.726 -10.684 1.00 0.00 C ATOM 0 H5' DC A 1 2.630 -11.584 -9.742 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.401 -12.132 -11.217 1.00 0.00 H new ATOM 0 H4' DC A 1 5.134 -10.365 -10.887 1.00 0.00 H new ATOM 0 H3' DC A 1 3.480 -9.723 -8.523 1.00 0.00 H new ATOM 0 H2' DC A 1 3.112 -7.418 -9.243 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.756 -7.309 -9.839 1.00 0.00 H new ATOM 0 HO5' DC A 1 5.338 -12.027 -9.383 1.00 0.00 H new ATOM 0 H1' DC A 1 4.067 -7.706 -11.972 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.912 -5.054 -10.728 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.097 -4.009 -11.896 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.921 -7.145 -9.945 1.00 0.00 H new ATOM 0 H6 DC A 1 0.976 -8.628 -10.090 1.00 0.00 H new ATOM 29 P DA A 2 6.927 -9.678 -8.712 1.00 0.00 P ATOM 30 OP1 DA A 2 6.840 -11.059 -9.237 1.00 0.00 O ATOM 31 OP2 DA A 2 7.633 -9.551 -7.418 1.00 0.00 O ATOM 32 O5' DA A 2 7.567 -8.752 -9.860 1.00 0.00 O ATOM 33 C5' DA A 2 8.174 -7.491 -10.288 1.00 0.00 C ATOM 34 C4' DA A 2 8.047 -6.218 -9.414 1.00 0.00 C ATOM 35 O4' DA A 2 6.667 -5.741 -9.369 1.00 0.00 O ATOM 36 C3' DA A 2 8.508 -6.296 -7.945 1.00 0.00 C ATOM 37 O3' DA A 2 9.437 -5.233 -7.642 1.00 0.00 O ATOM 38 C2' DA A 2 7.226 -6.003 -7.172 1.00 0.00 C ATOM 39 C1' DA A 2 6.497 -5.073 -8.135 1.00 0.00 C ATOM 40 N9 DA A 2 5.042 -4.908 -7.944 1.00 0.00 N ATOM 41 C8 DA A 2 4.149 -5.835 -7.503 1.00 0.00 C ATOM 42 N7 DA A 2 2.883 -5.513 -7.692 1.00 0.00 N ATOM 43 C5 DA A 2 2.964 -4.252 -8.280 1.00 0.00 C ATOM 44 C6 DA A 2 1.963 -3.363 -8.735 1.00 0.00 C ATOM 45 N6 DA A 2 0.681 -3.734 -8.773 1.00 0.00 N ATOM 46 N1 DA A 2 2.344 -2.138 -9.182 1.00 0.00 N ATOM 47 C2 DA A 2 3.657 -1.864 -9.237 1.00 0.00 C ATOM 48 N3 DA A 2 4.688 -2.665 -8.959 1.00 0.00 N ATOM 49 C4 DA A 2 4.266 -3.847 -8.442 1.00 0.00 C ATOM 0 H5' DA A 2 7.760 -7.251 -11.267 1.00 0.00 H new ATOM 0 H5'' DA A 2 9.238 -7.679 -10.430 1.00 0.00 H new ATOM 0 H4' DA A 2 8.738 -5.549 -9.928 1.00 0.00 H new ATOM 0 H3' DA A 2 8.990 -7.246 -7.716 1.00 0.00 H new ATOM 0 H2' DA A 2 6.656 -6.908 -6.965 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.425 -5.526 -6.213 1.00 0.00 H new ATOM 0 H1' DA A 2 6.898 -4.066 -8.019 1.00 0.00 H new ATOM 0 H8 DA A 2 4.452 -6.760 -7.036 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.029 -3.081 -9.104 1.00 0.00 H new ATOM 0 H62 DA A 2 0.412 -4.670 -8.471 1.00 0.00 H new ATOM 0 H2 DA A 2 3.913 -0.862 -9.548 1.00 0.00 H new ATOM 61 P DC A 3 10.879 -4.998 -7.042 1.00 0.00 P ATOM 62 OP1 DC A 3 11.854 -4.884 -8.157 1.00 0.00 O ATOM 63 OP2 DC A 3 11.179 -6.043 -6.040 1.00 0.00 O ATOM 64 O5' DC A 3 10.689 -3.567 -6.304 1.00 0.00 O ATOM 65 C5' DC A 3 10.501 -2.278 -6.984 1.00 0.00 C ATOM 66 C4' DC A 3 9.297 -1.399 -6.531 1.00 0.00 C ATOM 67 O4' DC A 3 8.009 -2.053 -6.761 1.00 0.00 O ATOM 68 C3' DC A 3 9.227 -1.052 -5.051 1.00 0.00 C ATOM 69 O3' DC A 3 10.130 -0.015 -4.599 1.00 0.00 O ATOM 70 C2' DC A 3 7.737 -0.654 -4.887 1.00 0.00 C ATOM 71 C1' DC A 3 7.006 -1.262 -6.108 1.00 0.00 C ATOM 72 N1 DC A 3 5.803 -2.077 -5.734 1.00 0.00 N ATOM 73 C2 DC A 3 4.477 -1.544 -5.923 1.00 0.00 C ATOM 74 O2 DC A 3 4.244 -0.402 -6.353 1.00 0.00 O ATOM 75 N3 DC A 3 3.399 -2.306 -5.570 1.00 0.00 N ATOM 76 C4 DC A 3 3.576 -3.512 -5.028 1.00 0.00 C ATOM 77 N4 DC A 3 2.496 -4.261 -4.805 1.00 0.00 N ATOM 78 C5 DC A 3 4.877 -4.023 -4.733 1.00 0.00 C ATOM 79 C6 DC A 3 5.935 -3.298 -5.108 1.00 0.00 C ATOM 0 H5' DC A 3 10.394 -2.472 -8.051 1.00 0.00 H new ATOM 0 H5'' DC A 3 11.412 -1.693 -6.856 1.00 0.00 H new ATOM 0 H4' DC A 3 9.472 -0.505 -7.130 1.00 0.00 H new ATOM 0 H3' DC A 3 9.553 -1.886 -4.430 1.00 0.00 H new ATOM 0 H2' DC A 3 7.329 -1.041 -3.953 1.00 0.00 H new ATOM 0 H2'' DC A 3 7.621 0.430 -4.861 1.00 0.00 H new ATOM 0 H1' DC A 3 6.597 -0.485 -6.754 1.00 0.00 H new ATOM 0 H41 DC A 3 2.595 -5.188 -4.392 1.00 0.00 H new ATOM 0 H42 DC A 3 1.571 -3.907 -5.048 1.00 0.00 H new ATOM 0 H5 DC A 3 5.002 -4.967 -4.222 1.00 0.00 H new ATOM 0 H6 DC A 3 6.926 -3.681 -4.914 1.00 0.00 H new ATOM 91 P DT A 4 10.666 1.442 -4.960 1.00 0.00 P ATOM 92 OP1 DT A 4 10.769 1.602 -6.427 1.00 0.00 O ATOM 93 OP2 DT A 4 11.925 1.631 -4.205 1.00 0.00 O ATOM 94 O5' DT A 4 9.528 2.434 -4.376 1.00 0.00 O ATOM 95 C5' DT A 4 8.464 3.135 -5.108 1.00 0.00 C ATOM 96 C4' DT A 4 7.278 3.732 -4.287 1.00 0.00 C ATOM 97 O4' DT A 4 6.275 2.672 -4.099 1.00 0.00 O ATOM 98 C3' DT A 4 7.599 4.275 -2.867 1.00 0.00 C ATOM 99 O3' DT A 4 7.143 5.645 -2.645 1.00 0.00 O ATOM 100 C2' DT A 4 6.846 3.288 -1.960 1.00 0.00 C ATOM 101 C1' DT A 4 5.660 2.822 -2.835 1.00 0.00 C ATOM 102 N1 DT A 4 5.048 1.482 -2.504 1.00 0.00 N ATOM 103 C2 DT A 4 3.642 1.286 -2.724 1.00 0.00 C ATOM 104 O2 DT A 4 2.825 2.154 -3.026 1.00 0.00 O ATOM 105 N3 DT A 4 3.199 -0.023 -2.570 1.00 0.00 N ATOM 106 C4 DT A 4 3.974 -1.129 -2.253 1.00 0.00 C ATOM 107 O4 DT A 4 3.451 -2.238 -2.225 1.00 0.00 O ATOM 108 C5 DT A 4 5.380 -0.865 -1.996 1.00 0.00 C ATOM 109 C7 DT A 4 6.272 -1.996 -1.562 1.00 0.00 C ATOM 110 C6 DT A 4 5.842 0.388 -2.156 1.00 0.00 C ATOM 0 H5' DT A 4 8.048 2.441 -5.838 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.925 3.949 -5.668 1.00 0.00 H new ATOM 0 H4' DT A 4 6.954 4.591 -4.875 1.00 0.00 H new ATOM 0 H3' DT A 4 8.672 4.332 -2.684 1.00 0.00 H new ATOM 0 H2' DT A 4 7.479 2.451 -1.665 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.504 3.767 -1.043 1.00 0.00 H new ATOM 0 H1' DT A 4 4.841 3.533 -2.723 1.00 0.00 H new ATOM 0 H3 DT A 4 2.201 -0.187 -2.704 1.00 0.00 H new ATOM 0 H71 DT A 4 7.288 -1.813 -1.912 1.00 0.00 H new ATOM 0 H72 DT A 4 6.270 -2.064 -0.474 1.00 0.00 H new ATOM 0 H73 DT A 4 5.906 -2.931 -1.985 1.00 0.00 H new ATOM 0 H6 DT A 4 6.898 0.559 -2.005 1.00 0.00 H new ATOM 123 P DC A 5 7.128 6.602 -1.360 1.00 0.00 P ATOM 124 OP1 DC A 5 7.330 8.016 -1.772 1.00 0.00 O ATOM 125 OP2 DC A 5 8.118 6.075 -0.387 1.00 0.00 O ATOM 126 O5' DC A 5 5.648 6.479 -0.739 1.00 0.00 O ATOM 127 C5' DC A 5 4.422 6.776 -1.490 1.00 0.00 C ATOM 128 C4' DC A 5 3.085 6.303 -0.852 1.00 0.00 C ATOM 129 O4' DC A 5 3.057 4.840 -0.801 1.00 0.00 O ATOM 130 C3' DC A 5 2.772 6.814 0.582 1.00 0.00 C ATOM 131 O3' DC A 5 1.440 7.428 0.664 1.00 0.00 O ATOM 132 C2' DC A 5 2.899 5.503 1.398 1.00 0.00 C ATOM 133 C1' DC A 5 2.440 4.422 0.399 1.00 0.00 C ATOM 134 N1 DC A 5 2.918 3.014 0.660 1.00 0.00 N ATOM 135 C2 DC A 5 2.003 1.919 0.485 1.00 0.00 C ATOM 136 O2 DC A 5 0.796 2.068 0.257 1.00 0.00 O ATOM 137 N3 DC A 5 2.454 0.634 0.615 1.00 0.00 N ATOM 138 C4 DC A 5 3.740 0.393 0.871 1.00 0.00 C ATOM 139 N4 DC A 5 4.129 -0.874 1.041 1.00 0.00 N ATOM 140 C5 DC A 5 4.691 1.448 0.986 1.00 0.00 C ATOM 141 C6 DC A 5 4.254 2.711 0.898 1.00 0.00 C ATOM 0 H5' DC A 5 4.508 6.322 -2.477 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.366 7.854 -1.639 1.00 0.00 H new ATOM 0 H4' DC A 5 2.326 6.738 -1.502 1.00 0.00 H new ATOM 0 H3' DC A 5 3.427 7.609 0.939 1.00 0.00 H new ATOM 0 H2' DC A 5 3.923 5.334 1.732 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.271 5.521 2.289 1.00 0.00 H new ATOM 0 H1' DC A 5 1.352 4.355 0.429 1.00 0.00 H new ATOM 0 H41 DC A 5 5.107 -1.085 1.238 1.00 0.00 H new ATOM 0 H42 DC A 5 3.448 -1.630 0.974 1.00 0.00 H new ATOM 0 H5 DC A 5 5.738 1.234 1.140 1.00 0.00 H new ATOM 0 H6 DC A 5 4.961 3.519 1.016 1.00 0.00 H new ATOM 153 P DC A 6 0.641 8.412 1.669 1.00 0.00 P ATOM 154 OP1 DC A 6 -0.007 9.522 0.948 1.00 0.00 O ATOM 155 OP2 DC A 6 1.531 8.866 2.758 1.00 0.00 O ATOM 156 O5' DC A 6 -0.547 7.518 2.280 1.00 0.00 O ATOM 157 C5' DC A 6 -0.403 6.212 2.890 1.00 0.00 C ATOM 158 C4' DC A 6 -1.519 5.224 2.526 1.00 0.00 C ATOM 159 O4' DC A 6 -0.956 3.922 2.146 1.00 0.00 O ATOM 160 C3' DC A 6 -2.490 4.983 3.673 1.00 0.00 C ATOM 161 O3' DC A 6 -3.757 5.625 3.378 1.00 0.00 O ATOM 162 C2' DC A 6 -2.563 3.463 3.803 1.00 0.00 C ATOM 163 C1' DC A 6 -1.380 2.885 3.012 1.00 0.00 C ATOM 164 N1 DC A 6 -0.191 2.298 3.749 1.00 0.00 N ATOM 165 C2 DC A 6 -0.147 0.865 3.851 1.00 0.00 C ATOM 166 O2 DC A 6 -1.159 0.156 3.800 1.00 0.00 O ATOM 167 N3 DC A 6 1.047 0.226 4.010 1.00 0.00 N ATOM 168 C4 DC A 6 2.181 0.925 4.074 1.00 0.00 C ATOM 169 N4 DC A 6 3.328 0.243 4.165 1.00 0.00 N ATOM 170 C5 DC A 6 2.187 2.355 4.024 1.00 0.00 C ATOM 171 C6 DC A 6 1.013 2.985 3.883 1.00 0.00 C ATOM 0 H5' DC A 6 -0.376 6.330 3.973 1.00 0.00 H new ATOM 0 H5'' DC A 6 0.555 5.787 2.591 1.00 0.00 H new ATOM 0 H4' DC A 6 -2.056 5.680 1.694 1.00 0.00 H new ATOM 0 H3' DC A 6 -2.181 5.414 4.625 1.00 0.00 H new ATOM 0 H2' DC A 6 -2.510 3.163 4.850 1.00 0.00 H new ATOM 0 H2'' DC A 6 -3.508 3.088 3.411 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.769 1.989 2.529 1.00 0.00 H new ATOM 0 H41 DC A 6 4.216 0.743 4.216 1.00 0.00 H new ATOM 0 H42 DC A 6 3.315 -0.777 4.183 1.00 0.00 H new ATOM 0 H5 DC A 6 3.111 2.910 4.098 1.00 0.00 H new ATOM 0 H6 DC A 6 1.000 4.065 3.873 1.00 0.00 H new ATOM 183 P DT A 7 -4.897 6.393 4.175 1.00 0.00 P ATOM 184 OP1 DT A 7 -5.615 7.279 3.224 1.00 0.00 O ATOM 185 OP2 DT A 7 -4.249 7.117 5.301 1.00 0.00 O ATOM 186 O5' DT A 7 -5.899 5.253 4.684 1.00 0.00 O ATOM 187 C5' DT A 7 -6.037 4.478 5.907 1.00 0.00 C ATOM 188 C4' DT A 7 -6.228 2.953 5.680 1.00 0.00 C ATOM 189 O4' DT A 7 -4.908 2.321 5.537 1.00 0.00 O ATOM 190 C3' DT A 7 -6.886 2.269 6.903 1.00 0.00 C ATOM 191 O3' DT A 7 -7.923 1.312 6.534 1.00 0.00 O ATOM 192 C2' DT A 7 -5.689 1.605 7.590 1.00 0.00 C ATOM 193 C1' DT A 7 -4.798 1.207 6.414 1.00 0.00 C ATOM 194 N1 DT A 7 -3.350 1.014 6.775 1.00 0.00 N ATOM 195 C2 DT A 7 -2.757 -0.286 6.693 1.00 0.00 C ATOM 196 O2 DT A 7 -3.353 -1.329 6.444 1.00 0.00 O ATOM 197 N3 DT A 7 -1.394 -0.335 6.942 1.00 0.00 N ATOM 198 C4 DT A 7 -0.580 0.747 7.258 1.00 0.00 C ATOM 199 O4 DT A 7 0.619 0.558 7.462 1.00 0.00 O ATOM 200 C5 DT A 7 -1.235 2.045 7.325 1.00 0.00 C ATOM 201 C7 DT A 7 -0.424 3.273 7.639 1.00 0.00 C ATOM 202 C6 DT A 7 -2.562 2.105 7.120 1.00 0.00 C ATOM 0 H5' DT A 7 -6.889 4.859 6.470 1.00 0.00 H new ATOM 0 H5'' DT A 7 -5.152 4.634 6.524 1.00 0.00 H new ATOM 0 H4' DT A 7 -6.855 2.837 4.796 1.00 0.00 H new ATOM 0 H3' DT A 7 -7.421 2.969 7.545 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.181 2.291 8.268 1.00 0.00 H new ATOM 0 H2'' DT A 7 -5.991 0.739 8.179 1.00 0.00 H new ATOM 0 H1' DT A 7 -5.114 0.248 6.003 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.947 -1.250 6.888 1.00 0.00 H new ATOM 0 H71 DT A 7 -0.874 4.140 7.155 1.00 0.00 H new ATOM 0 H72 DT A 7 -0.403 3.430 8.718 1.00 0.00 H new ATOM 0 H73 DT A 7 0.594 3.140 7.272 1.00 0.00 H new ATOM 0 H6 DT A 7 -3.047 3.064 7.231 1.00 0.00 H new ATOM 215 P DG A 8 -9.009 0.541 7.437 1.00 0.00 P ATOM 216 OP1 DG A 8 -10.378 0.842 6.944 1.00 0.00 O ATOM 217 OP2 DG A 8 -8.803 0.882 8.866 1.00 0.00 O ATOM 218 O5' DG A 8 -8.710 -1.029 7.243 1.00 0.00 O ATOM 219 C5' DG A 8 -7.439 -1.734 7.359 1.00 0.00 C ATOM 220 C4' DG A 8 -7.442 -3.067 8.151 1.00 0.00 C ATOM 221 O4' DG A 8 -6.043 -3.500 8.279 1.00 0.00 O ATOM 222 C3' DG A 8 -7.999 -3.030 9.586 1.00 0.00 C ATOM 223 O3' DG A 8 -8.652 -4.282 9.922 1.00 0.00 O ATOM 224 C2' DG A 8 -6.744 -2.819 10.435 1.00 0.00 C ATOM 225 C1' DG A 8 -5.617 -3.523 9.640 1.00 0.00 C ATOM 226 N9 DG A 8 -4.285 -2.830 9.716 1.00 0.00 N ATOM 227 C8 DG A 8 -4.077 -1.490 9.579 1.00 0.00 C ATOM 228 N7 DG A 8 -2.841 -1.084 9.796 1.00 0.00 N ATOM 229 C5 DG A 8 -2.148 -2.252 10.034 1.00 0.00 C ATOM 230 C6 DG A 8 -0.775 -2.438 10.282 1.00 0.00 C ATOM 231 O6 DG A 8 0.071 -1.543 10.370 1.00 0.00 O ATOM 232 N1 DG A 8 -0.432 -3.775 10.424 1.00 0.00 N ATOM 233 C2 DG A 8 -1.304 -4.827 10.347 1.00 0.00 C ATOM 234 N2 DG A 8 -0.682 -5.993 10.468 1.00 0.00 N ATOM 235 N3 DG A 8 -2.625 -4.659 10.154 1.00 0.00 N ATOM 236 C4 DG A 8 -2.998 -3.360 9.989 1.00 0.00 C ATOM 0 H5' DG A 8 -6.721 -1.062 7.829 1.00 0.00 H new ATOM 0 H5'' DG A 8 -7.072 -1.939 6.353 1.00 0.00 H new ATOM 0 H4' DG A 8 -8.102 -3.724 7.584 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.754 -2.258 9.736 1.00 0.00 H new ATOM 0 H2' DG A 8 -6.531 -1.759 10.572 1.00 0.00 H new ATOM 0 H2'' DG A 8 -6.859 -3.252 11.429 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.467 -4.519 10.057 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.870 -0.807 9.311 1.00 0.00 H new ATOM 0 H1 DG A 8 0.549 -3.991 10.600 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.215 -6.862 10.429 1.00 0.00 H new ATOM 0 H22 DG A 8 0.329 -6.020 10.600 1.00 0.00 H new ATOM 248 P DG A 9 -9.680 -4.675 11.068 1.00 0.00 P ATOM 249 OP1 DG A 9 -10.294 -5.975 10.708 1.00 0.00 O ATOM 250 OP2 DG A 9 -10.633 -3.556 11.252 1.00 0.00 O ATOM 251 O5' DG A 9 -8.755 -4.843 12.379 1.00 0.00 O ATOM 252 C5' DG A 9 -7.795 -5.929 12.595 1.00 0.00 C ATOM 253 C4' DG A 9 -6.622 -5.666 13.578 1.00 0.00 C ATOM 254 O4' DG A 9 -5.613 -4.740 13.016 1.00 0.00 O ATOM 255 C3' DG A 9 -7.005 -5.083 14.955 1.00 0.00 C ATOM 256 O3' DG A 9 -6.442 -5.880 16.004 1.00 0.00 O ATOM 257 C2' DG A 9 -6.271 -3.696 14.957 1.00 0.00 C ATOM 258 C1' DG A 9 -5.044 -4.010 14.094 1.00 0.00 C ATOM 259 N9 DG A 9 -4.219 -2.851 13.612 1.00 0.00 N ATOM 260 C8 DG A 9 -4.632 -1.589 13.285 1.00 0.00 C ATOM 261 N7 DG A 9 -3.651 -0.693 13.172 1.00 0.00 N ATOM 262 C5 DG A 9 -2.493 -1.423 13.403 1.00 0.00 C ATOM 263 C6 DG A 9 -1.122 -1.016 13.412 1.00 0.00 C ATOM 264 O6 DG A 9 -0.656 0.114 13.208 1.00 0.00 O ATOM 265 N1 DG A 9 -0.277 -2.075 13.703 1.00 0.00 N ATOM 266 C2 DG A 9 -0.653 -3.362 13.948 1.00 0.00 C ATOM 267 N2 DG A 9 0.376 -4.155 14.188 1.00 0.00 N ATOM 268 N3 DG A 9 -1.926 -3.756 13.942 1.00 0.00 N ATOM 269 C4 DG A 9 -2.810 -2.761 13.667 1.00 0.00 C ATOM 0 H5' DG A 9 -7.369 -6.199 11.628 1.00 0.00 H new ATOM 0 H5'' DG A 9 -8.346 -6.798 12.954 1.00 0.00 H new ATOM 0 H4' DG A 9 -6.233 -6.674 13.724 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.083 -5.034 15.109 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.885 -2.904 14.527 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.997 -3.377 15.962 1.00 0.00 H new ATOM 0 HO3' DG A 9 -6.690 -5.500 16.873 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.297 -4.540 14.686 1.00 0.00 H new ATOM 0 H8 DG A 9 -5.671 -1.338 13.130 1.00 0.00 H new ATOM 0 H1 DG A 9 0.722 -1.872 13.737 1.00 0.00 H new ATOM 0 H21 DG A 9 0.223 -5.144 14.386 1.00 0.00 H new ATOM 0 H22 DG A 9 1.324 -3.778 14.175 1.00 0.00 H new ATOM 282 O5' DC A 15 8.622 -2.379 17.703 1.00 0.00 O ATOM 283 C5' DC A 15 7.355 -2.343 17.046 1.00 0.00 C ATOM 284 C4' DC A 15 6.860 -3.761 16.689 1.00 0.00 C ATOM 285 O4' DC A 15 5.440 -3.679 16.328 1.00 0.00 O ATOM 286 C3' DC A 15 7.589 -4.409 15.489 1.00 0.00 C ATOM 287 O3' DC A 15 8.109 -5.741 15.807 1.00 0.00 O ATOM 288 C2' DC A 15 6.553 -4.393 14.351 1.00 0.00 C ATOM 289 C1' DC A 15 5.226 -3.882 14.935 1.00 0.00 C ATOM 290 N1 DC A 15 4.577 -2.642 14.357 1.00 0.00 N ATOM 291 C2 DC A 15 3.208 -2.378 14.708 1.00 0.00 C ATOM 292 O2 DC A 15 2.583 -3.026 15.562 1.00 0.00 O ATOM 293 N3 DC A 15 2.529 -1.388 14.069 1.00 0.00 N ATOM 294 C4 DC A 15 3.110 -0.651 13.124 1.00 0.00 C ATOM 295 N4 DC A 15 2.339 0.265 12.521 1.00 0.00 N ATOM 296 C5 DC A 15 4.482 -0.871 12.754 1.00 0.00 C ATOM 297 C6 DC A 15 5.162 -1.833 13.389 1.00 0.00 C ATOM 0 H5' DC A 15 7.432 -1.745 16.138 1.00 0.00 H new ATOM 0 H5'' DC A 15 6.624 -1.853 17.690 1.00 0.00 H new ATOM 0 H4' DC A 15 7.055 -4.377 17.567 1.00 0.00 H new ATOM 0 H3' DC A 15 8.487 -3.863 15.200 1.00 0.00 H new ATOM 0 H2' DC A 15 6.887 -3.748 13.539 1.00 0.00 H new ATOM 0 H2'' DC A 15 6.428 -5.392 13.934 1.00 0.00 H new ATOM 0 HO5' DC A 15 8.907 -1.465 17.914 1.00 0.00 H new ATOM 0 H1' DC A 15 4.506 -4.656 14.668 1.00 0.00 H new ATOM 0 H41 DC A 15 2.730 0.859 11.789 1.00 0.00 H new ATOM 0 H42 DC A 15 1.362 0.368 12.794 1.00 0.00 H new ATOM 0 H5 DC A 15 4.951 -0.276 11.984 1.00 0.00 H new ATOM 0 H6 DC A 15 6.202 -1.986 13.141 1.00 0.00 H new ATOM 310 P DC A 16 7.865 -7.309 15.522 1.00 0.00 P ATOM 311 OP1 DC A 16 6.418 -7.615 15.610 1.00 0.00 O ATOM 312 OP2 DC A 16 8.709 -8.096 16.446 1.00 0.00 O ATOM 313 O5' DC A 16 8.400 -7.574 14.040 1.00 0.00 O ATOM 314 C5' DC A 16 8.215 -7.134 12.669 1.00 0.00 C ATOM 315 C4' DC A 16 6.983 -7.774 11.969 1.00 0.00 C ATOM 316 O4' DC A 16 5.836 -6.857 12.114 1.00 0.00 O ATOM 317 C3' DC A 16 7.214 -7.927 10.442 1.00 0.00 C ATOM 318 O3' DC A 16 6.993 -9.237 9.836 1.00 0.00 O ATOM 319 C2' DC A 16 6.286 -6.907 9.830 1.00 0.00 C ATOM 320 C1' DC A 16 5.181 -6.687 10.870 1.00 0.00 C ATOM 321 N1 DC A 16 4.545 -5.324 10.818 1.00 0.00 N ATOM 322 C2 DC A 16 3.110 -5.180 10.730 1.00 0.00 C ATOM 323 O2 DC A 16 2.311 -6.128 10.846 1.00 0.00 O ATOM 324 N3 DC A 16 2.581 -3.936 10.493 1.00 0.00 N ATOM 325 C4 DC A 16 3.395 -2.884 10.297 1.00 0.00 C ATOM 326 N4 DC A 16 2.879 -1.691 9.995 1.00 0.00 N ATOM 327 C5 DC A 16 4.810 -2.993 10.407 1.00 0.00 C ATOM 328 C6 DC A 16 5.329 -4.189 10.666 1.00 0.00 C ATOM 0 H5' DC A 16 9.111 -7.372 12.096 1.00 0.00 H new ATOM 0 H5'' DC A 16 8.107 -6.049 12.656 1.00 0.00 H new ATOM 0 H4' DC A 16 6.812 -8.750 12.424 1.00 0.00 H new ATOM 0 H3' DC A 16 8.278 -7.785 10.252 1.00 0.00 H new ATOM 0 H2' DC A 16 6.812 -5.977 9.613 1.00 0.00 H new ATOM 0 H2'' DC A 16 5.873 -7.267 8.888 1.00 0.00 H new ATOM 0 H1' DC A 16 4.359 -7.381 10.691 1.00 0.00 H new ATOM 0 H41 DC A 16 3.495 -0.892 9.846 1.00 0.00 H new ATOM 0 H42 DC A 16 1.869 -1.578 9.913 1.00 0.00 H new ATOM 0 H5 DC A 16 5.444 -2.128 10.283 1.00 0.00 H new ATOM 0 H6 DC A 16 6.401 -4.281 10.762 1.00 0.00 H new ATOM 340 P DA A 17 6.367 -10.708 10.026 1.00 0.00 P ATOM 341 OP1 DA A 17 5.965 -10.913 11.437 1.00 0.00 O ATOM 342 OP2 DA A 17 7.371 -11.661 9.506 1.00 0.00 O ATOM 343 O5' DA A 17 5.075 -10.736 9.063 1.00 0.00 O ATOM 344 C5' DA A 17 3.990 -9.775 9.113 1.00 0.00 C ATOM 345 C4' DA A 17 2.929 -9.890 7.994 1.00 0.00 C ATOM 346 O4' DA A 17 2.097 -8.689 8.202 1.00 0.00 O ATOM 347 C3' DA A 17 3.531 -9.773 6.568 1.00 0.00 C ATOM 348 O3' DA A 17 3.224 -10.843 5.633 1.00 0.00 O ATOM 349 C2' DA A 17 2.881 -8.525 5.977 1.00 0.00 C ATOM 350 C1' DA A 17 1.948 -7.913 7.027 1.00 0.00 C ATOM 351 N9 DA A 17 2.191 -6.460 7.288 1.00 0.00 N ATOM 352 C8 DA A 17 3.398 -5.813 7.258 1.00 0.00 C ATOM 353 N7 DA A 17 3.344 -4.503 7.218 1.00 0.00 N ATOM 354 C5 DA A 17 1.980 -4.256 7.177 1.00 0.00 C ATOM 355 C6 DA A 17 1.274 -3.040 7.062 1.00 0.00 C ATOM 356 N6 DA A 17 1.928 -1.878 6.974 1.00 0.00 N ATOM 357 N1 DA A 17 -0.072 -3.090 7.012 1.00 0.00 N ATOM 358 C2 DA A 17 -0.678 -4.286 7.056 1.00 0.00 C ATOM 359 N3 DA A 17 -0.124 -5.499 7.199 1.00 0.00 N ATOM 360 C4 DA A 17 1.235 -5.416 7.235 1.00 0.00 C ATOM 0 H5' DA A 17 4.417 -8.773 9.079 1.00 0.00 H new ATOM 0 H5'' DA A 17 3.487 -9.875 10.075 1.00 0.00 H new ATOM 0 H4' DA A 17 2.420 -10.852 8.048 1.00 0.00 H new ATOM 0 H3' DA A 17 4.615 -9.780 6.686 1.00 0.00 H new ATOM 0 H2' DA A 17 3.644 -7.804 5.684 1.00 0.00 H new ATOM 0 H2'' DA A 17 2.321 -8.780 5.077 1.00 0.00 H new ATOM 0 H1' DA A 17 0.924 -7.941 6.654 1.00 0.00 H new ATOM 0 H8 DA A 17 4.336 -6.348 7.267 1.00 0.00 H new ATOM 0 H61 DA A 17 1.407 -1.005 6.891 1.00 0.00 H new ATOM 0 H62 DA A 17 2.948 -1.864 6.990 1.00 0.00 H new ATOM 0 H2 DA A 17 -1.754 -4.270 6.964 1.00 0.00 H new ATOM 372 P DG A 18 2.346 -12.144 5.397 1.00 0.00 P ATOM 373 OP1 DG A 18 2.271 -12.873 6.682 1.00 0.00 O ATOM 374 OP2 DG A 18 2.979 -12.905 4.296 1.00 0.00 O ATOM 375 O5' DG A 18 0.888 -11.644 4.933 1.00 0.00 O ATOM 376 C5' DG A 18 -0.183 -10.857 5.545 1.00 0.00 C ATOM 377 C4' DG A 18 -0.834 -9.757 4.656 1.00 0.00 C ATOM 378 O4' DG A 18 -0.040 -8.538 4.675 1.00 0.00 O ATOM 379 C3' DG A 18 -1.080 -10.050 3.153 1.00 0.00 C ATOM 380 O3' DG A 18 -2.477 -10.051 2.729 1.00 0.00 O ATOM 381 C2' DG A 18 -0.322 -8.904 2.436 1.00 0.00 C ATOM 382 C1' DG A 18 -0.288 -7.810 3.499 1.00 0.00 C ATOM 383 N9 DG A 18 0.742 -6.744 3.372 1.00 0.00 N ATOM 384 C8 DG A 18 2.084 -6.862 3.198 1.00 0.00 C ATOM 385 N7 DG A 18 2.764 -5.724 3.318 1.00 0.00 N ATOM 386 C5 DG A 18 1.778 -4.773 3.538 1.00 0.00 C ATOM 387 C6 DG A 18 1.874 -3.367 3.705 1.00 0.00 C ATOM 388 O6 DG A 18 2.919 -2.711 3.787 1.00 0.00 O ATOM 389 N1 DG A 18 0.623 -2.762 3.821 1.00 0.00 N ATOM 390 C2 DG A 18 -0.578 -3.428 3.833 1.00 0.00 C ATOM 391 N2 DG A 18 -1.624 -2.639 3.934 1.00 0.00 N ATOM 392 N3 DG A 18 -0.666 -4.749 3.740 1.00 0.00 N ATOM 393 C4 DG A 18 0.522 -5.373 3.574 1.00 0.00 C ATOM 0 H5' DG A 18 0.214 -10.380 6.441 1.00 0.00 H new ATOM 0 H5'' DG A 18 -0.967 -11.542 5.869 1.00 0.00 H new ATOM 0 H4' DG A 18 -1.815 -9.687 5.125 1.00 0.00 H new ATOM 0 H3' DG A 18 -0.743 -11.060 2.918 1.00 0.00 H new ATOM 0 H2' DG A 18 0.681 -9.208 2.135 1.00 0.00 H new ATOM 0 H2'' DG A 18 -0.840 -8.577 1.535 1.00 0.00 H new ATOM 0 H1' DG A 18 -1.216 -7.241 3.439 1.00 0.00 H new ATOM 0 H8 DG A 18 2.562 -7.805 2.979 1.00 0.00 H new ATOM 0 H1 DG A 18 0.598 -1.746 3.903 1.00 0.00 H new ATOM 0 H21 DG A 18 -2.563 -3.037 3.951 1.00 0.00 H new ATOM 0 H22 DG A 18 -1.497 -1.629 3.995 1.00 0.00 H new ATOM 405 P DG A 19 -3.966 -10.026 3.328 1.00 0.00 P ATOM 406 OP1 DG A 19 -3.984 -10.060 4.801 1.00 0.00 O ATOM 407 OP2 DG A 19 -4.698 -11.130 2.668 1.00 0.00 O ATOM 408 O5' DG A 19 -4.614 -8.656 2.811 1.00 0.00 O ATOM 409 C5' DG A 19 -4.032 -7.328 2.858 1.00 0.00 C ATOM 410 C4' DG A 19 -4.857 -6.219 2.155 1.00 0.00 C ATOM 411 O4' DG A 19 -4.001 -5.036 2.086 1.00 0.00 O ATOM 412 C3' DG A 19 -5.289 -6.521 0.710 1.00 0.00 C ATOM 413 O3' DG A 19 -6.632 -6.033 0.443 1.00 0.00 O ATOM 414 C2' DG A 19 -4.227 -5.814 -0.132 1.00 0.00 C ATOM 415 C1' DG A 19 -3.672 -4.705 0.743 1.00 0.00 C ATOM 416 N9 DG A 19 -2.186 -4.570 0.648 1.00 0.00 N ATOM 417 C8 DG A 19 -1.251 -5.567 0.651 1.00 0.00 C ATOM 418 N7 DG A 19 -0.006 -5.164 0.454 1.00 0.00 N ATOM 419 C5 DG A 19 -0.110 -3.778 0.476 1.00 0.00 C ATOM 420 C6 DG A 19 0.899 -2.780 0.470 1.00 0.00 C ATOM 421 O6 DG A 19 2.122 -2.963 0.491 1.00 0.00 O ATOM 422 N1 DG A 19 0.364 -1.496 0.509 1.00 0.00 N ATOM 423 C2 DG A 19 -0.968 -1.194 0.538 1.00 0.00 C ATOM 424 N2 DG A 19 -1.222 0.097 0.486 1.00 0.00 N ATOM 425 N3 DG A 19 -1.914 -2.117 0.586 1.00 0.00 N ATOM 426 C4 DG A 19 -1.448 -3.385 0.557 1.00 0.00 C ATOM 0 H5' DG A 19 -3.043 -7.366 2.402 1.00 0.00 H new ATOM 0 H5'' DG A 19 -3.892 -7.047 3.902 1.00 0.00 H new ATOM 0 H4' DG A 19 -5.771 -6.107 2.738 1.00 0.00 H new ATOM 0 H3' DG A 19 -5.344 -7.587 0.490 1.00 0.00 H new ATOM 0 H2' DG A 19 -3.440 -6.507 -0.430 1.00 0.00 H new ATOM 0 H2'' DG A 19 -4.660 -5.410 -1.047 1.00 0.00 H new ATOM 0 H1' DG A 19 -4.102 -3.759 0.413 1.00 0.00 H new ATOM 0 H8 DG A 19 -1.509 -6.605 0.803 1.00 0.00 H new ATOM 0 H1 DG A 19 1.021 -0.716 0.517 1.00 0.00 H new ATOM 0 H21 DG A 19 -2.187 0.428 0.502 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.454 0.766 0.430 1.00 0.00 H new ATOM 438 P DA A 20 -7.467 -5.761 -0.891 1.00 0.00 P ATOM 439 OP1 DA A 20 -8.905 -5.821 -0.546 1.00 0.00 O ATOM 440 OP2 DA A 20 -7.023 -6.732 -1.925 1.00 0.00 O ATOM 441 O5' DA A 20 -7.052 -4.259 -1.306 1.00 0.00 O ATOM 442 C5' DA A 20 -7.354 -3.060 -0.520 1.00 0.00 C ATOM 443 C4' DA A 20 -6.860 -1.691 -1.043 1.00 0.00 C ATOM 444 O4' DA A 20 -5.401 -1.649 -1.061 1.00 0.00 O ATOM 445 C3' DA A 20 -7.339 -1.332 -2.451 1.00 0.00 C ATOM 446 O3' DA A 20 -7.974 -0.019 -2.513 1.00 0.00 O ATOM 447 C2' DA A 20 -6.049 -1.397 -3.275 1.00 0.00 C ATOM 448 C1' DA A 20 -4.947 -1.078 -2.274 1.00 0.00 C ATOM 449 N9 DA A 20 -3.659 -1.751 -2.560 1.00 0.00 N ATOM 450 C8 DA A 20 -3.466 -3.100 -2.623 1.00 0.00 C ATOM 451 N7 DA A 20 -2.211 -3.487 -2.748 1.00 0.00 N ATOM 452 C5 DA A 20 -1.524 -2.274 -2.728 1.00 0.00 C ATOM 453 C6 DA A 20 -0.141 -1.988 -2.760 1.00 0.00 C ATOM 454 N6 DA A 20 0.768 -2.962 -2.728 1.00 0.00 N ATOM 455 N1 DA A 20 0.245 -0.691 -2.776 1.00 0.00 N ATOM 456 C2 DA A 20 -0.686 0.265 -2.721 1.00 0.00 C ATOM 457 N3 DA A 20 -2.009 0.117 -2.598 1.00 0.00 N ATOM 458 C4 DA A 20 -2.371 -1.192 -2.629 1.00 0.00 C ATOM 0 H5' DA A 20 -6.938 -3.204 0.477 1.00 0.00 H new ATOM 0 H5'' DA A 20 -8.437 -3.001 -0.408 1.00 0.00 H new ATOM 0 H4' DA A 20 -7.288 -0.966 -0.350 1.00 0.00 H new ATOM 0 H3' DA A 20 -8.116 -2.003 -2.818 1.00 0.00 H new ATOM 0 H2' DA A 20 -5.910 -2.383 -3.719 1.00 0.00 H new ATOM 0 H2'' DA A 20 -6.063 -0.678 -4.094 1.00 0.00 H new ATOM 0 H1' DA A 20 -4.771 -0.002 -2.280 1.00 0.00 H new ATOM 0 H8 DA A 20 -4.284 -3.803 -2.574 1.00 0.00 H new ATOM 0 H61 DA A 20 1.762 -2.733 -2.752 1.00 0.00 H new ATOM 0 H62 DA A 20 0.470 -3.936 -2.679 1.00 0.00 H new ATOM 0 H2 DA A 20 -0.326 1.281 -2.783 1.00 0.00 H new ATOM 470 P DG A 21 -8.613 0.859 -3.698 1.00 0.00 P ATOM 471 OP1 DG A 21 -9.674 1.742 -3.149 1.00 0.00 O ATOM 472 OP2 DG A 21 -9.055 -0.053 -4.778 1.00 0.00 O ATOM 473 O5' DG A 21 -7.380 1.710 -4.246 1.00 0.00 O ATOM 474 C5' DG A 21 -6.452 2.614 -3.584 1.00 0.00 C ATOM 475 C4' DG A 21 -5.139 2.872 -4.372 1.00 0.00 C ATOM 476 O4' DG A 21 -4.314 1.658 -4.446 1.00 0.00 O ATOM 477 C3' DG A 21 -5.344 3.301 -5.840 1.00 0.00 C ATOM 478 O3' DG A 21 -4.609 4.517 -6.104 1.00 0.00 O ATOM 479 C2' DG A 21 -4.700 2.149 -6.647 1.00 0.00 C ATOM 480 C1' DG A 21 -3.616 1.689 -5.686 1.00 0.00 C ATOM 481 N9 DG A 21 -3.022 0.353 -5.951 1.00 0.00 N ATOM 482 C8 DG A 21 -3.658 -0.846 -5.972 1.00 0.00 C ATOM 483 N7 DG A 21 -2.849 -1.902 -6.065 1.00 0.00 N ATOM 484 C5 DG A 21 -1.573 -1.335 -6.050 1.00 0.00 C ATOM 485 C6 DG A 21 -0.288 -1.942 -6.038 1.00 0.00 C ATOM 486 O6 DG A 21 -0.053 -3.144 -5.889 1.00 0.00 O ATOM 487 N1 DG A 21 0.746 -1.013 -6.096 1.00 0.00 N ATOM 488 C2 DG A 21 0.596 0.344 -6.074 1.00 0.00 C ATOM 489 N2 DG A 21 1.748 0.995 -6.091 1.00 0.00 N ATOM 490 N3 DG A 21 -0.606 0.921 -6.028 1.00 0.00 N ATOM 491 C4 DG A 21 -1.651 0.053 -6.020 1.00 0.00 C ATOM 0 H5' DG A 21 -6.200 2.205 -2.606 1.00 0.00 H new ATOM 0 H5'' DG A 21 -6.952 3.567 -3.412 1.00 0.00 H new ATOM 0 H4' DG A 21 -4.667 3.680 -3.813 1.00 0.00 H new ATOM 0 H3' DG A 21 -6.391 3.480 -6.084 1.00 0.00 H new ATOM 0 H2' DG A 21 -5.413 1.356 -6.874 1.00 0.00 H new ATOM 0 H2'' DG A 21 -4.290 2.491 -7.597 1.00 0.00 H new ATOM 0 H1' DG A 21 -2.754 2.352 -5.751 1.00 0.00 H new ATOM 0 H8 DG A 21 -4.733 -0.937 -5.918 1.00 0.00 H new ATOM 0 H1 DG A 21 1.697 -1.376 -6.160 1.00 0.00 H new ATOM 0 H21 DG A 21 1.758 2.015 -6.077 1.00 0.00 H new ATOM 0 H22 DG A 21 2.626 0.477 -6.118 1.00 0.00 H new ATOM 503 P DT A 22 -5.022 5.886 -6.774 1.00 0.00 P ATOM 504 OP1 DT A 22 -5.270 6.892 -5.710 1.00 0.00 O ATOM 505 OP2 DT A 22 -6.171 5.656 -7.696 1.00 0.00 O ATOM 506 O5' DT A 22 -3.665 6.274 -7.583 1.00 0.00 O ATOM 507 C5' DT A 22 -3.270 5.940 -8.946 1.00 0.00 C ATOM 508 C4' DT A 22 -1.746 5.636 -9.249 1.00 0.00 C ATOM 509 O4' DT A 22 -1.427 4.252 -8.882 1.00 0.00 O ATOM 510 C3' DT A 22 -1.596 5.674 -10.800 1.00 0.00 C ATOM 511 O3' DT A 22 -0.526 6.565 -11.200 1.00 0.00 O ATOM 512 C2' DT A 22 -1.356 4.194 -11.175 1.00 0.00 C ATOM 513 C1' DT A 22 -0.686 3.643 -9.934 1.00 0.00 C ATOM 514 N1 DT A 22 -0.794 2.157 -9.755 1.00 0.00 N ATOM 515 C2 DT A 22 0.380 1.338 -9.663 1.00 0.00 C ATOM 516 O2 DT A 22 1.544 1.740 -9.642 1.00 0.00 O ATOM 517 N3 DT A 22 0.135 -0.032 -9.594 1.00 0.00 N ATOM 518 C4 DT A 22 -1.113 -0.638 -9.637 1.00 0.00 C ATOM 519 O4 DT A 22 -1.181 -1.861 -9.708 1.00 0.00 O ATOM 520 C5 DT A 22 -2.262 0.247 -9.603 1.00 0.00 C ATOM 521 C7 DT A 22 -3.635 -0.343 -9.504 1.00 0.00 C ATOM 522 C6 DT A 22 -2.052 1.572 -9.670 1.00 0.00 C ATOM 0 H5' DT A 22 -3.575 6.765 -9.589 1.00 0.00 H new ATOM 0 H5'' DT A 22 -3.847 5.067 -9.252 1.00 0.00 H new ATOM 0 H4' DT A 22 -1.115 6.343 -8.711 1.00 0.00 H new ATOM 0 H3' DT A 22 -2.466 6.074 -11.320 1.00 0.00 H new ATOM 0 H2' DT A 22 -2.289 3.675 -11.396 1.00 0.00 H new ATOM 0 H2'' DT A 22 -0.721 4.097 -12.056 1.00 0.00 H new ATOM 0 H1' DT A 22 0.384 3.848 -9.974 1.00 0.00 H new ATOM 0 H3 DT A 22 0.946 -0.645 -9.504 1.00 0.00 H new ATOM 0 H71 DT A 22 -4.291 0.349 -8.976 1.00 0.00 H new ATOM 0 H72 DT A 22 -4.027 -0.523 -10.505 1.00 0.00 H new ATOM 0 H73 DT A 22 -3.588 -1.285 -8.958 1.00 0.00 H new ATOM 0 H6 DT A 22 -2.914 2.223 -9.657 1.00 0.00 H new ATOM 535 P DG A 23 0.232 6.856 -12.572 1.00 0.00 P ATOM 536 OP1 DG A 23 0.801 8.219 -12.479 1.00 0.00 O ATOM 537 OP2 DG A 23 -0.681 6.656 -13.723 1.00 0.00 O ATOM 538 O5' DG A 23 1.379 5.745 -12.617 1.00 0.00 O ATOM 539 C5' DG A 23 2.476 5.532 -11.682 1.00 0.00 C ATOM 540 C4' DG A 23 3.571 4.550 -12.149 1.00 0.00 C ATOM 541 O4' DG A 23 3.140 3.175 -11.905 1.00 0.00 O ATOM 542 C3' DG A 23 3.958 4.635 -13.632 1.00 0.00 C ATOM 543 O3' DG A 23 5.369 4.747 -13.834 1.00 0.00 O ATOM 544 C2' DG A 23 3.432 3.318 -14.218 1.00 0.00 C ATOM 545 C1' DG A 23 3.403 2.350 -13.029 1.00 0.00 C ATOM 546 N9 DG A 23 2.269 1.386 -13.034 1.00 0.00 N ATOM 547 C8 DG A 23 0.965 1.740 -13.148 1.00 0.00 C ATOM 548 N7 DG A 23 0.109 0.729 -13.102 1.00 0.00 N ATOM 549 C5 DG A 23 0.911 -0.384 -12.909 1.00 0.00 C ATOM 550 C6 DG A 23 0.550 -1.751 -12.776 1.00 0.00 C ATOM 551 O6 DG A 23 -0.599 -2.218 -12.791 1.00 0.00 O ATOM 552 N1 DG A 23 1.659 -2.568 -12.631 1.00 0.00 N ATOM 553 C2 DG A 23 2.960 -2.151 -12.584 1.00 0.00 C ATOM 554 N2 DG A 23 3.782 -3.180 -12.462 1.00 0.00 N ATOM 555 N3 DG A 23 3.318 -0.854 -12.656 1.00 0.00 N ATOM 556 C4 DG A 23 2.261 -0.016 -12.845 1.00 0.00 C ATOM 0 H5' DG A 23 2.062 5.166 -10.742 1.00 0.00 H new ATOM 0 H5'' DG A 23 2.942 6.495 -11.472 1.00 0.00 H new ATOM 0 H4' DG A 23 4.448 4.840 -11.570 1.00 0.00 H new ATOM 0 H3' DG A 23 3.541 5.525 -14.104 1.00 0.00 H new ATOM 0 H2' DG A 23 2.439 3.445 -14.650 1.00 0.00 H new ATOM 0 H2'' DG A 23 4.081 2.950 -15.013 1.00 0.00 H new ATOM 0 HO3' DG A 23 5.559 4.796 -14.794 1.00 0.00 H new ATOM 0 H1' DG A 23 4.334 1.783 -13.043 1.00 0.00 H new ATOM 0 H8 DG A 23 0.649 2.766 -13.267 1.00 0.00 H new ATOM 0 H1 DG A 23 1.490 -3.571 -12.552 1.00 0.00 H new ATOM 0 H21 DG A 23 4.789 -3.025 -12.414 1.00 0.00 H new ATOM 0 H22 DG A 23 3.409 -4.128 -12.416 1.00 0.00 H new TER 569 DG A 23 HETATM 570 C1 DAG A 31 2.392 8.522 -3.973 1.00 0.00 C HETATM 571 C2 DAG A 31 1.807 9.587 -3.028 1.00 0.00 C HETATM 572 C3 DAG A 31 0.510 9.102 -2.328 1.00 0.00 C HETATM 573 C4 DAG A 31 -0.460 8.399 -3.294 1.00 0.00 C HETATM 574 C5 DAG A 31 0.302 7.301 -4.050 1.00 0.00 C HETATM 575 C6 DAG A 31 -0.565 6.564 -5.079 1.00 0.00 C HETATM 576 O1 DAG A 31 3.363 9.070 -4.864 1.00 0.00 O HETATM 577 O2 DAG A 31 2.768 9.874 -2.018 1.00 0.00 O HETATM 578 O3 DAG A 31 -0.146 10.225 -1.731 1.00 0.00 O HETATM 579 N4 DAG A 31 -1.693 7.940 -2.623 1.00 0.00 N HETATM 580 O5 DAG A 31 1.352 7.943 -4.748 1.00 0.00 O HETATM 0 HN42 DAG A 31 -2.416 7.459 -3.158 1.00 0.00 H new HETATM 0 HO3 DAG A 31 -0.172 10.109 -0.758 1.00 0.00 H new HETATM 0 H63 DAG A 31 -1.407 6.092 -4.574 1.00 0.00 H new HETATM 0 H62 DAG A 31 -0.937 7.275 -5.817 1.00 0.00 H new HETATM 0 H61 DAG A 31 0.032 5.801 -5.578 1.00 0.00 H new HETATM 0 H5 DAG A 31 0.645 6.561 -3.328 1.00 0.00 H new HETATM 0 H4 DAG A 31 -0.826 9.112 -4.033 1.00 0.00 H new HETATM 0 H3 DAG A 31 0.799 8.371 -1.573 1.00 0.00 H new HETATM 0 H2 DAG A 31 1.567 10.466 -3.627 1.00 0.00 H new HETATM 0 H1 DAG A 31 2.877 7.772 -3.349 1.00 0.00 H new HETATM 591 C1 DSR A 32 -2.151 5.733 -1.674 1.00 0.00 C HETATM 592 C2 DSR A 32 -1.300 4.573 -1.154 1.00 0.00 C HETATM 593 C3 DSR A 32 -2.145 3.306 -1.099 1.00 0.00 C HETATM 594 C4 DSR A 32 -3.489 3.501 -0.350 1.00 0.00 C HETATM 595 C5 DSR A 32 -4.195 4.747 -0.923 1.00 0.00 C HETATM 596 C6 DSR A 32 -5.440 5.152 -0.133 1.00 0.00 C HETATM 597 O1 DSR A 32 -1.428 6.946 -1.536 1.00 0.00 O HETATM 598 O3 DSR A 32 -2.346 3.002 -2.464 1.00 0.00 O HETATM 599 O5 DSR A 32 -3.289 5.834 -0.836 1.00 0.00 O HETATM 600 S4 DSR A 32 -4.483 1.947 -0.286 1.00 0.00 S HETATM 0 HO3 DSR A 32 -2.109 2.066 -2.629 1.00 0.00 H new HETATM 0 H63 DSR A 32 -6.159 4.333 -0.143 1.00 0.00 H new HETATM 0 H62 DSR A 32 -5.161 5.377 0.896 1.00 0.00 H new HETATM 0 H61 DSR A 32 -5.889 6.035 -0.588 1.00 0.00 H new HETATM 0 H5 DSR A 32 -4.498 4.507 -1.942 1.00 0.00 H new HETATM 0 H4 DSR A 32 -3.322 3.707 0.707 1.00 0.00 H new HETATM 0 H3 DSR A 32 -1.656 2.508 -0.540 1.00 0.00 H new HETATM 0 H22 DSR A 32 -0.439 4.420 -1.804 1.00 0.00 H new HETATM 0 H21 DSR A 32 -0.913 4.808 -0.162 1.00 0.00 H new HETATM 0 H1 DSR A 32 -2.417 5.563 -2.717 1.00 0.00 H new HETATM 611 C1 HIB A 33 -6.143 -1.203 3.210 1.00 0.00 C HETATM 612 C2 HIB A 33 -7.604 -1.281 3.016 1.00 0.00 C HETATM 613 C3 HIB A 33 -8.230 -0.319 2.296 1.00 0.00 C HETATM 614 C4 HIB A 33 -7.445 0.809 1.709 1.00 0.00 C HETATM 615 C5 HIB A 33 -6.108 0.887 1.885 1.00 0.00 C HETATM 616 C6 HIB A 33 -5.428 -0.179 2.677 1.00 0.00 C HETATM 617 C7 HIB A 33 -5.336 2.039 1.281 1.00 0.00 C HETATM 618 C8 HIB A 33 -3.934 -0.062 2.854 1.00 0.00 C HETATM 619 C9 HIB A 33 -10.307 0.051 3.269 1.00 0.00 C HETATM 620 CX HIB A 33 -9.096 1.460 0.144 1.00 0.00 C HETATM 621 O3 HIB A 33 -9.584 -0.355 2.121 1.00 0.00 O HETATM 622 O4 HIB A 33 -8.005 1.802 0.979 1.00 0.00 O HETATM 623 O7 HIB A 33 -5.300 3.047 1.978 1.00 0.00 O HETATM 624 I1 HIB A 33 -5.264 -2.742 4.339 1.00 0.00 I HETATM 0 HX3 HIB A 33 -8.778 0.712 -0.582 1.00 0.00 H new HETATM 0 HX2 HIB A 33 -9.906 1.055 0.751 1.00 0.00 H new HETATM 0 HX1 HIB A 33 -9.445 2.349 -0.381 1.00 0.00 H new HETATM 0 H93 HIB A 33 -10.066 -0.608 4.103 1.00 0.00 H new HETATM 0 H92 HIB A 33 -10.036 1.075 3.526 1.00 0.00 H new HETATM 0 H91 HIB A 33 -11.376 -0.001 3.063 1.00 0.00 H new HETATM 0 H83 HIB A 33 -3.698 0.007 3.916 1.00 0.00 H new HETATM 0 H82 HIB A 33 -3.448 -0.941 2.431 1.00 0.00 H new HETATM 0 H81 HIB A 33 -3.576 0.832 2.344 1.00 0.00 H new HETATM 634 C1 MRP A 34 -9.212 -3.128 2.943 1.00 0.00 C HETATM 635 C2 MRP A 34 -8.813 -4.630 3.072 1.00 0.00 C HETATM 636 C3 MRP A 34 -8.824 -5.000 4.581 1.00 0.00 C HETATM 637 C4 MRP A 34 -10.223 -4.710 5.190 1.00 0.00 C HETATM 638 C5 MRP A 34 -10.554 -3.209 4.945 1.00 0.00 C HETATM 639 C6 MRP A 34 -11.966 -2.797 5.377 1.00 0.00 C HETATM 640 C7 MRP A 34 -7.139 -6.508 5.458 1.00 0.00 C HETATM 641 O1 MRP A 34 -8.219 -2.365 3.608 1.00 0.00 O HETATM 642 O2 MRP A 34 -9.610 -5.551 2.298 1.00 0.00 O HETATM 643 O3 MRP A 34 -8.399 -6.345 4.818 1.00 0.00 O HETATM 644 O4 MRP A 34 -10.308 -5.055 6.583 1.00 0.00 O HETATM 645 O5 MRP A 34 -10.471 -2.912 3.562 1.00 0.00 O HETATM 0 HO4 MRP A 34 -9.650 -5.751 6.788 1.00 0.00 H new HETATM 0 HO2 MRP A 34 -9.291 -5.561 1.371 1.00 0.00 H new HETATM 0 H73 MRP A 34 -6.359 -6.052 4.848 1.00 0.00 H new HETATM 0 H72 MRP A 34 -7.162 -6.026 6.436 1.00 0.00 H new HETATM 0 H71 MRP A 34 -6.929 -7.570 5.582 1.00 0.00 H new HETATM 0 H63 MRP A 34 -12.701 -3.380 4.822 1.00 0.00 H new HETATM 0 H62 MRP A 34 -12.088 -2.980 6.445 1.00 0.00 H new HETATM 0 H61 MRP A 34 -12.114 -1.737 5.172 1.00 0.00 H new HETATM 0 H5 MRP A 34 -9.826 -2.665 5.546 1.00 0.00 H new HETATM 0 H4 MRP A 34 -10.962 -5.342 4.697 1.00 0.00 H new HETATM 0 H3 MRP A 34 -8.094 -4.369 5.087 1.00 0.00 H new HETATM 0 H2 MRP A 34 -7.817 -4.736 2.642 1.00 0.00 H new HETATM 0 H1 MRP A 34 -9.285 -2.838 1.895 1.00 0.00 H new HETATM 659 C1 EMP A 35 2.990 11.237 -1.755 1.00 0.00 C HETATM 660 C2 EMP A 35 3.428 11.357 -0.289 1.00 0.00 C HETATM 661 C3 EMP A 35 4.830 10.751 -0.069 1.00 0.00 C HETATM 662 C4 EMP A 35 5.849 11.242 -1.128 1.00 0.00 C HETATM 663 C5 EMP A 35 5.271 11.010 -2.536 1.00 0.00 C HETATM 664 C6 EMP A 35 8.364 11.118 -1.659 1.00 0.00 C HETATM 665 C7 EMP A 35 9.649 10.426 -1.194 1.00 0.00 C HETATM 666 C8 EMP A 35 4.763 10.379 2.311 1.00 0.00 C HETATM 667 O3 EMP A 35 5.294 11.117 1.218 1.00 0.00 O HETATM 668 N4 EMP A 35 7.185 10.635 -0.909 1.00 0.00 N HETATM 669 O5 EMP A 35 4.018 11.671 -2.627 1.00 0.00 O HETATM 0 HN4 EMP A 35 7.291 9.877 -0.235 1.00 0.00 H new HETATM 0 H83 EMP A 35 3.680 10.497 2.338 1.00 0.00 H new HETATM 0 H82 EMP A 35 5.010 9.324 2.192 1.00 0.00 H new HETATM 0 H81 EMP A 35 5.192 10.749 3.242 1.00 0.00 H new HETATM 0 H73 EMP A 35 9.808 10.628 -0.135 1.00 0.00 H new HETATM 0 H72 EMP A 35 9.560 9.351 -1.349 1.00 0.00 H new HETATM 0 H71 EMP A 35 10.495 10.806 -1.767 1.00 0.00 H new HETATM 0 H62 EMP A 35 8.463 12.196 -1.529 1.00 0.00 H new HETATM 0 H61 EMP A 35 8.218 10.938 -2.724 1.00 0.00 H new HETATM 0 H52 EMP A 35 5.956 11.392 -3.293 1.00 0.00 H new HETATM 0 H51 EMP A 35 5.150 9.943 -2.724 1.00 0.00 H new HETATM 0 H4 EMP A 35 6.011 12.315 -1.026 1.00 0.00 H new HETATM 0 H3 EMP A 35 4.744 9.668 -0.162 1.00 0.00 H new HETATM 0 H22 EMP A 35 3.433 12.406 0.006 1.00 0.00 H new HETATM 0 H21 EMP A 35 2.706 10.849 0.351 1.00 0.00 H new HETATM 687 C1 MTC A 36 4.493 8.311 -5.319 1.00 0.00 C HETATM 688 C2 MTC A 36 4.162 6.885 -5.208 1.00 0.00 C HETATM 689 C3 MTC A 36 3.582 5.871 -5.425 1.00 0.00 C HETATM 690 C4 MTC A 36 2.751 4.845 -5.977 1.00 0.00 C HETATM 691 C5 MTC A 36 2.235 4.934 -7.231 1.00 0.00 C HETATM 692 C6 MTC A 36 2.492 6.051 -8.123 1.00 0.00 C HETATM 693 C7 MTC A 36 2.935 7.002 -8.695 1.00 0.00 C HETATM 694 C8 MTC A 36 3.598 8.275 -9.063 1.00 0.00 C HETATM 695 C9 MTC A 36 4.912 8.078 -9.806 1.00 0.00 C HETATM 696 C10 MTC A 36 6.043 7.615 -8.908 1.00 0.00 C HETATM 697 C11 MTC A 36 5.913 7.763 -7.389 1.00 0.00 C HETATM 698 C12 MTC A 36 4.790 8.331 -6.837 1.00 0.00 C HETATM 699 C13 MTC A 36 3.795 8.997 -7.741 1.00 0.00 C HETATM 700 C14 MTC A 36 3.030 10.250 -7.473 1.00 0.00 C HETATM 701 C15 MTC A 36 3.366 11.208 -6.371 1.00 0.00 C HETATM 702 C16 MTC A 36 7.207 10.804 -6.932 1.00 0.00 C HETATM 703 C17 MTC A 36 8.231 6.858 -6.638 1.00 0.00 C HETATM 704 C18 MTC A 36 10.250 6.159 -5.573 1.00 0.00 C HETATM 705 O8 MTC A 36 2.700 8.921 -9.919 1.00 0.00 O HETATM 706 O10 MTC A 36 6.996 7.130 -9.462 1.00 0.00 O HETATM 707 O71 MTC A 36 8.763 6.672 -7.685 1.00 0.00 O HETATM 708 O72 MTC A 36 8.883 6.636 -5.515 1.00 0.00 O HETATM 709 N11 MTC A 36 7.005 7.351 -6.436 1.00 0.00 N HETATM 710 S1 MTC A 36 3.572 12.867 -7.100 1.00 0.00 S HETATM 711 S2 MTC A 36 5.284 12.774 -8.191 1.00 0.00 S HETATM 712 S3 MTC A 36 6.764 12.567 -6.821 1.00 0.00 S HETATM 0 H183 MTC A 36 10.280 5.204 -6.097 1.00 0.00 H new HETATM 0 H182 MTC A 36 10.866 6.884 -6.105 1.00 0.00 H new HETATM 0 H181 MTC A 36 10.634 6.030 -4.561 1.00 0.00 H new HETATM 0 H163 MTC A 36 8.291 10.698 -6.894 1.00 0.00 H new HETATM 0 H162 MTC A 36 6.761 10.263 -6.097 1.00 0.00 H new HETATM 0 H161 MTC A 36 6.835 10.394 -7.871 1.00 0.00 H new HETATM 0 H152 MTC A 36 2.575 11.218 -5.622 1.00 0.00 H new HETATM 0 H151 MTC A 36 4.281 10.899 -5.865 1.00 0.00 H new HETATM 0 H11A MTC A 36 5.351 8.599 -4.712 1.00 0.00 H new HETATM 0 HO8 MTC A 36 3.078 9.779 -10.203 1.00 0.00 H new HETATM 0 H92 MTC A 36 4.766 7.347 -10.601 1.00 0.00 H new HETATM 0 H91 MTC A 36 5.196 9.016 -10.283 1.00 0.00 H new HETATM 0 H5 MTC A 36 1.595 4.126 -7.586 1.00 0.00 H new HETATM 0 H4 MTC A 36 2.525 3.966 -5.374 1.00 0.00 H new HETATM 0 H14 MTC A 36 2.180 10.481 -8.115 1.00 0.00 H new HETATM 0 H11 MTC A 36 6.763 7.471 -5.452 1.00 0.00 H new