USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.73 (180deg=-0.73) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.0318 (180deg=-0.641) 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= -0.296 (180deg=-0.296) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD Single : A 31 DAG O3 : rot -114:sc= 0.737 USER MOD Single : A 32 DSR O3 : rot 126:sc= 1.23 USER MOD Single : A 34 MRP O2 : rot 84:sc= 0.762 USER MOD Single : A 34 MRP O4 : rot -14:sc= 0.037 USER MOD Single : A 36 MTC C16 :methyl -131:sc= -0.695 (180deg=-5.53!) USER MOD Single : A 36 MTC O8 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.348 -12.447 -12.118 1.00 0.00 O ATOM 2 C5' DC A 1 4.116 -11.734 -10.899 1.00 0.00 C ATOM 3 C4' DC A 1 4.784 -10.344 -10.916 1.00 0.00 C ATOM 4 O4' DC A 1 3.989 -9.412 -11.719 1.00 0.00 O ATOM 5 C3' DC A 1 4.840 -9.701 -9.521 1.00 0.00 C ATOM 6 O3' DC A 1 6.078 -9.901 -8.779 1.00 0.00 O ATOM 7 C2' DC A 1 4.601 -8.217 -9.807 1.00 0.00 C ATOM 8 C1' DC A 1 4.254 -8.080 -11.277 1.00 0.00 C ATOM 9 N1 DC A 1 3.020 -7.259 -11.496 1.00 0.00 N ATOM 10 C2 DC A 1 3.062 -6.001 -12.194 1.00 0.00 C ATOM 11 O2 DC A 1 4.119 -5.431 -12.515 1.00 0.00 O ATOM 12 N3 DC A 1 1.881 -5.356 -12.461 1.00 0.00 N ATOM 13 C4 DC A 1 0.729 -5.838 -11.966 1.00 0.00 C ATOM 14 N4 DC A 1 -0.402 -5.184 -12.233 1.00 0.00 N ATOM 15 C5 DC A 1 0.680 -7.021 -11.167 1.00 0.00 C ATOM 16 C6 DC A 1 1.819 -7.678 -10.962 1.00 0.00 C ATOM 0 H5' DC A 1 4.501 -12.313 -10.060 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.043 -11.621 -10.742 1.00 0.00 H new ATOM 0 H4' DC A 1 5.787 -10.508 -11.311 1.00 0.00 H new ATOM 0 H3' DC A 1 4.104 -10.165 -8.865 1.00 0.00 H new ATOM 0 H2' DC A 1 3.792 -7.833 -9.186 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.490 -7.634 -9.568 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.912 -13.324 -12.072 1.00 0.00 H new ATOM 0 H1' DC A 1 5.066 -7.586 -11.811 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.290 -5.530 -11.868 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.380 -4.338 -12.802 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.250 -7.370 -10.744 1.00 0.00 H new ATOM 0 H6 DC A 1 1.803 -8.572 -10.356 1.00 0.00 H new ATOM 29 P DA A 2 7.651 -9.824 -9.084 1.00 0.00 P ATOM 30 OP1 DA A 2 8.052 -10.917 -9.999 1.00 0.00 O ATOM 31 OP2 DA A 2 8.410 -9.783 -7.813 1.00 0.00 O ATOM 32 O5' DA A 2 7.802 -8.443 -9.839 1.00 0.00 O ATOM 33 C5' DA A 2 8.816 -7.452 -10.137 1.00 0.00 C ATOM 34 C4' DA A 2 8.670 -6.130 -9.340 1.00 0.00 C ATOM 35 O4' DA A 2 7.291 -5.632 -9.433 1.00 0.00 O ATOM 36 C3' DA A 2 8.998 -6.201 -7.834 1.00 0.00 C ATOM 37 O3' DA A 2 9.961 -5.174 -7.479 1.00 0.00 O ATOM 38 C2' DA A 2 7.642 -5.989 -7.174 1.00 0.00 C ATOM 39 C1' DA A 2 6.923 -5.098 -8.175 1.00 0.00 C ATOM 40 N9 DA A 2 5.441 -5.078 -8.064 1.00 0.00 N ATOM 41 C8 DA A 2 4.603 -6.030 -7.544 1.00 0.00 C ATOM 42 N7 DA A 2 3.317 -5.798 -7.733 1.00 0.00 N ATOM 43 C5 DA A 2 3.317 -4.587 -8.408 1.00 0.00 C ATOM 44 C6 DA A 2 2.255 -3.797 -8.903 1.00 0.00 C ATOM 45 N6 DA A 2 0.988 -4.233 -8.879 1.00 0.00 N ATOM 46 N1 DA A 2 2.563 -2.589 -9.441 1.00 0.00 N ATOM 47 C2 DA A 2 3.849 -2.229 -9.515 1.00 0.00 C ATOM 48 N3 DA A 2 4.925 -2.915 -9.171 1.00 0.00 N ATOM 49 C4 DA A 2 4.592 -4.101 -8.600 1.00 0.00 C ATOM 0 H5' DA A 2 8.784 -7.225 -11.203 1.00 0.00 H new ATOM 0 H5'' DA A 2 9.797 -7.880 -9.932 1.00 0.00 H new ATOM 0 H4' DA A 2 9.408 -5.477 -9.806 1.00 0.00 H new ATOM 0 H3' DA A 2 9.459 -7.138 -7.521 1.00 0.00 H new ATOM 0 H2' DA A 2 7.115 -6.930 -7.018 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.736 -5.510 -6.199 1.00 0.00 H new ATOM 0 H1' DA A 2 7.212 -4.061 -8.005 1.00 0.00 H new ATOM 0 H8 DA A 2 4.966 -6.902 -7.020 1.00 0.00 H new ATOM 0 H61 DA A 2 0.239 -3.644 -9.242 1.00 0.00 H new ATOM 0 H62 DA A 2 0.773 -5.154 -8.497 1.00 0.00 H new ATOM 0 H2 DA A 2 4.034 -1.241 -9.911 1.00 0.00 H new ATOM 61 P DC A 3 10.534 -4.399 -6.205 1.00 0.00 P ATOM 62 OP1 DC A 3 11.794 -5.056 -5.777 1.00 0.00 O ATOM 63 OP2 DC A 3 9.517 -4.276 -5.139 1.00 0.00 O ATOM 64 O5' DC A 3 10.919 -2.950 -6.767 1.00 0.00 O ATOM 65 C5' DC A 3 10.250 -2.079 -7.729 1.00 0.00 C ATOM 66 C4' DC A 3 9.043 -1.246 -7.211 1.00 0.00 C ATOM 67 O4' DC A 3 7.793 -1.991 -7.199 1.00 0.00 O ATOM 68 C3' DC A 3 9.132 -0.719 -5.790 1.00 0.00 C ATOM 69 O3' DC A 3 9.884 0.506 -5.776 1.00 0.00 O ATOM 70 C2' DC A 3 7.636 -0.506 -5.406 1.00 0.00 C ATOM 71 C1' DC A 3 6.834 -1.173 -6.534 1.00 0.00 C ATOM 72 N1 DC A 3 5.647 -1.966 -6.072 1.00 0.00 N ATOM 73 C2 DC A 3 4.317 -1.474 -6.319 1.00 0.00 C ATOM 74 O2 DC A 3 4.087 -0.362 -6.828 1.00 0.00 O ATOM 75 N3 DC A 3 3.240 -2.234 -5.952 1.00 0.00 N ATOM 76 C4 DC A 3 3.421 -3.412 -5.341 1.00 0.00 C ATOM 77 N4 DC A 3 2.340 -4.139 -5.029 1.00 0.00 N ATOM 78 C5 DC A 3 4.736 -3.902 -5.039 1.00 0.00 C ATOM 79 C6 DC A 3 5.789 -3.167 -5.415 1.00 0.00 C ATOM 0 H5' DC A 3 9.905 -2.695 -8.559 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.990 -1.388 -8.131 1.00 0.00 H new ATOM 0 H4' DC A 3 9.072 -0.425 -7.927 1.00 0.00 H new ATOM 0 H3' DC A 3 9.642 -1.380 -5.089 1.00 0.00 H new ATOM 0 H2' DC A 3 7.409 -0.958 -4.440 1.00 0.00 H new ATOM 0 H2'' DC A 3 7.397 0.554 -5.326 1.00 0.00 H new ATOM 0 H1' DC A 3 6.380 -0.422 -7.181 1.00 0.00 H new ATOM 0 H41 DC A 3 2.448 -5.040 -4.563 1.00 0.00 H new ATOM 0 H42 DC A 3 1.409 -3.792 -5.257 1.00 0.00 H new ATOM 0 H5 DC A 3 4.872 -4.840 -4.521 1.00 0.00 H new ATOM 0 H6 DC A 3 6.783 -3.528 -5.196 1.00 0.00 H new ATOM 91 P DT A 4 10.514 1.373 -4.612 1.00 0.00 P ATOM 92 OP1 DT A 4 11.441 2.335 -5.230 1.00 0.00 O ATOM 93 OP2 DT A 4 11.073 0.513 -3.539 1.00 0.00 O ATOM 94 O5' DT A 4 9.236 2.174 -4.055 1.00 0.00 O ATOM 95 C5' DT A 4 8.435 3.101 -4.866 1.00 0.00 C ATOM 96 C4' DT A 4 7.183 3.723 -4.210 1.00 0.00 C ATOM 97 O4' DT A 4 6.136 2.690 -4.139 1.00 0.00 O ATOM 98 C3' DT A 4 7.413 4.211 -2.768 1.00 0.00 C ATOM 99 O3' DT A 4 7.019 5.594 -2.592 1.00 0.00 O ATOM 100 C2' DT A 4 6.544 3.246 -1.936 1.00 0.00 C ATOM 101 C1' DT A 4 5.434 2.801 -2.917 1.00 0.00 C ATOM 102 N1 DT A 4 4.813 1.442 -2.681 1.00 0.00 N ATOM 103 C2 DT A 4 3.399 1.265 -2.872 1.00 0.00 C ATOM 104 O2 DT A 4 2.579 2.155 -3.103 1.00 0.00 O ATOM 105 N3 DT A 4 2.954 -0.049 -2.792 1.00 0.00 N ATOM 106 C4 DT A 4 3.726 -1.176 -2.574 1.00 0.00 C ATOM 107 O4 DT A 4 3.170 -2.269 -2.541 1.00 0.00 O ATOM 108 C5 DT A 4 5.154 -0.945 -2.411 1.00 0.00 C ATOM 109 C7 DT A 4 6.057 -2.112 -2.145 1.00 0.00 C ATOM 110 C6 DT A 4 5.619 0.319 -2.481 1.00 0.00 C ATOM 0 H5' DT A 4 8.117 2.573 -5.765 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.085 3.914 -5.188 1.00 0.00 H new ATOM 0 H4' DT A 4 6.911 4.583 -4.822 1.00 0.00 H new ATOM 0 H3' DT A 4 8.463 4.198 -2.474 1.00 0.00 H new ATOM 0 H2' DT A 4 7.124 2.396 -1.577 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.127 3.740 -1.059 1.00 0.00 H new ATOM 0 H1' DT A 4 4.609 3.509 -2.841 1.00 0.00 H new ATOM 0 H3 DT A 4 1.951 -0.198 -2.906 1.00 0.00 H new ATOM 0 H71 DT A 4 7.045 -1.910 -2.560 1.00 0.00 H new ATOM 0 H72 DT A 4 6.140 -2.270 -1.070 1.00 0.00 H new ATOM 0 H73 DT A 4 5.643 -3.006 -2.612 1.00 0.00 H new ATOM 0 H6 DT A 4 6.683 0.473 -2.376 1.00 0.00 H new ATOM 123 P DC A 5 7.100 6.582 -1.342 1.00 0.00 P ATOM 124 OP1 DC A 5 7.270 7.982 -1.811 1.00 0.00 O ATOM 125 OP2 DC A 5 8.141 6.105 -0.400 1.00 0.00 O ATOM 126 O5' DC A 5 5.651 6.420 -0.658 1.00 0.00 O ATOM 127 C5' DC A 5 4.424 6.630 -1.425 1.00 0.00 C ATOM 128 C4' DC A 5 3.078 6.262 -0.748 1.00 0.00 C ATOM 129 O4' DC A 5 2.953 4.806 -0.724 1.00 0.00 O ATOM 130 C3' DC A 5 2.870 6.754 0.707 1.00 0.00 C ATOM 131 O3' DC A 5 1.631 7.504 0.827 1.00 0.00 O ATOM 132 C2' DC A 5 2.753 5.435 1.504 1.00 0.00 C ATOM 133 C1' DC A 5 2.293 4.392 0.457 1.00 0.00 C ATOM 134 N1 DC A 5 2.737 2.971 0.700 1.00 0.00 N ATOM 135 C2 DC A 5 1.825 1.891 0.453 1.00 0.00 C ATOM 136 O2 DC A 5 0.614 2.049 0.243 1.00 0.00 O ATOM 137 N3 DC A 5 2.290 0.603 0.480 1.00 0.00 N ATOM 138 C4 DC A 5 3.583 0.350 0.707 1.00 0.00 C ATOM 139 N4 DC A 5 4.016 -0.915 0.724 1.00 0.00 N ATOM 140 C5 DC A 5 4.519 1.396 0.944 1.00 0.00 C ATOM 141 C6 DC A 5 4.074 2.658 0.938 1.00 0.00 C ATOM 0 H5' DC A 5 4.503 6.056 -2.348 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.381 7.682 -1.707 1.00 0.00 H new ATOM 0 H4' DC A 5 2.327 6.774 -1.349 1.00 0.00 H new ATOM 0 H3' DC A 5 3.668 7.412 1.049 1.00 0.00 H new ATOM 0 H2' DC A 5 3.707 5.155 1.951 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.034 5.525 2.318 1.00 0.00 H new ATOM 0 H1' DC A 5 1.203 4.367 0.454 1.00 0.00 H new ATOM 0 H41 DC A 5 5.001 -1.115 0.897 1.00 0.00 H new ATOM 0 H42 DC A 5 3.361 -1.680 0.564 1.00 0.00 H new ATOM 0 H5 DC A 5 5.561 1.177 1.124 1.00 0.00 H new ATOM 0 H6 DC A 5 4.773 3.460 1.124 1.00 0.00 H new ATOM 153 P DC A 6 0.904 8.314 2.004 1.00 0.00 P ATOM 154 OP1 DC A 6 0.183 9.482 1.437 1.00 0.00 O ATOM 155 OP2 DC A 6 1.890 8.621 3.063 1.00 0.00 O ATOM 156 O5' DC A 6 -0.172 7.260 2.572 1.00 0.00 O ATOM 157 C5' DC A 6 -1.142 6.550 1.731 1.00 0.00 C ATOM 158 C4' DC A 6 -1.791 5.283 2.321 1.00 0.00 C ATOM 159 O4' DC A 6 -0.843 4.178 2.342 1.00 0.00 O ATOM 160 C3' DC A 6 -2.341 5.374 3.733 1.00 0.00 C ATOM 161 O3' DC A 6 -3.738 5.768 3.700 1.00 0.00 O ATOM 162 C2' DC A 6 -2.149 3.938 4.278 1.00 0.00 C ATOM 163 C1' DC A 6 -1.292 3.177 3.253 1.00 0.00 C ATOM 164 N1 DC A 6 -0.085 2.443 3.790 1.00 0.00 N ATOM 165 C2 DC A 6 -0.070 0.999 3.782 1.00 0.00 C ATOM 166 O2 DC A 6 -1.090 0.305 3.642 1.00 0.00 O ATOM 167 N3 DC A 6 1.118 0.336 3.946 1.00 0.00 N ATOM 168 C4 DC A 6 2.257 1.027 4.085 1.00 0.00 C ATOM 169 N4 DC A 6 3.407 0.346 4.152 1.00 0.00 N ATOM 170 C5 DC A 6 2.276 2.458 4.133 1.00 0.00 C ATOM 171 C6 DC A 6 1.113 3.106 4.011 1.00 0.00 C ATOM 0 H5' DC A 6 -0.644 6.273 0.802 1.00 0.00 H new ATOM 0 H5'' DC A 6 -1.938 7.248 1.471 1.00 0.00 H new ATOM 0 H4' DC A 6 -2.638 5.136 1.651 1.00 0.00 H new ATOM 0 H3' DC A 6 -1.847 6.118 4.357 1.00 0.00 H new ATOM 0 H2' DC A 6 -1.659 3.958 5.251 1.00 0.00 H new ATOM 0 H2'' DC A 6 -3.112 3.446 4.416 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.910 2.387 2.827 1.00 0.00 H new ATOM 0 H41 DC A 6 4.290 0.845 4.258 1.00 0.00 H new ATOM 0 H42 DC A 6 3.400 -0.673 4.097 1.00 0.00 H new ATOM 0 H5 DC A 6 3.202 2.998 4.264 1.00 0.00 H new ATOM 0 H6 DC A 6 1.106 4.183 4.087 1.00 0.00 H new ATOM 183 P DT A 7 -4.792 6.341 4.744 1.00 0.00 P ATOM 184 OP1 DT A 7 -5.848 7.104 4.024 1.00 0.00 O ATOM 185 OP2 DT A 7 -4.040 7.122 5.758 1.00 0.00 O ATOM 186 O5' DT A 7 -5.432 5.041 5.459 1.00 0.00 O ATOM 187 C5' DT A 7 -6.334 4.105 4.779 1.00 0.00 C ATOM 188 C4' DT A 7 -6.357 2.621 5.248 1.00 0.00 C ATOM 189 O4' DT A 7 -4.985 2.083 5.289 1.00 0.00 O ATOM 190 C3' DT A 7 -6.962 2.364 6.650 1.00 0.00 C ATOM 191 O3' DT A 7 -8.018 1.357 6.603 1.00 0.00 O ATOM 192 C2' DT A 7 -5.750 1.792 7.425 1.00 0.00 C ATOM 193 C1' DT A 7 -4.896 1.133 6.328 1.00 0.00 C ATOM 194 N1 DT A 7 -3.438 0.904 6.660 1.00 0.00 N ATOM 195 C2 DT A 7 -2.881 -0.418 6.617 1.00 0.00 C ATOM 196 O2 DT A 7 -3.506 -1.452 6.383 1.00 0.00 O ATOM 197 N3 DT A 7 -1.522 -0.506 6.905 1.00 0.00 N ATOM 198 C4 DT A 7 -0.700 0.548 7.287 1.00 0.00 C ATOM 199 O4 DT A 7 0.468 0.317 7.597 1.00 0.00 O ATOM 200 C5 DT A 7 -1.310 1.868 7.292 1.00 0.00 C ATOM 201 C7 DT A 7 -0.472 3.061 7.663 1.00 0.00 C ATOM 202 C6 DT A 7 -2.613 1.976 6.975 1.00 0.00 C ATOM 0 H5' DT A 7 -6.082 4.113 3.719 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.347 4.497 4.869 1.00 0.00 H new ATOM 0 H4' DT A 7 -7.000 2.132 4.516 1.00 0.00 H new ATOM 0 H3' DT A 7 -7.412 3.256 7.086 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.200 2.577 7.944 1.00 0.00 H new ATOM 0 H2'' DT A 7 -6.061 1.069 8.179 1.00 0.00 H new ATOM 0 H1' DT A 7 -5.262 0.127 6.121 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.090 -1.427 6.829 1.00 0.00 H new ATOM 0 H71 DT A 7 0.304 2.756 8.365 1.00 0.00 H new ATOM 0 H72 DT A 7 -0.009 3.474 6.766 1.00 0.00 H new ATOM 0 H73 DT A 7 -1.103 3.819 8.127 1.00 0.00 H new ATOM 0 H6 DT A 7 -3.048 2.965 6.965 1.00 0.00 H new ATOM 215 P DG A 8 -9.216 0.923 7.584 1.00 0.00 P ATOM 216 OP1 DG A 8 -10.527 1.205 6.963 1.00 0.00 O ATOM 217 OP2 DG A 8 -9.039 1.557 8.912 1.00 0.00 O ATOM 218 O5' DG A 8 -9.061 -0.681 7.768 1.00 0.00 O ATOM 219 C5' DG A 8 -7.797 -1.409 7.765 1.00 0.00 C ATOM 220 C4' DG A 8 -7.737 -2.751 8.536 1.00 0.00 C ATOM 221 O4' DG A 8 -6.330 -3.174 8.487 1.00 0.00 O ATOM 222 C3' DG A 8 -8.118 -2.716 10.034 1.00 0.00 C ATOM 223 O3' DG A 8 -8.826 -3.888 10.540 1.00 0.00 O ATOM 224 C2' DG A 8 -6.779 -2.581 10.737 1.00 0.00 C ATOM 225 C1' DG A 8 -5.759 -3.251 9.790 1.00 0.00 C ATOM 226 N9 DG A 8 -4.428 -2.574 9.748 1.00 0.00 N ATOM 227 C8 DG A 8 -4.223 -1.232 9.621 1.00 0.00 C ATOM 228 N7 DG A 8 -2.974 -0.845 9.751 1.00 0.00 N ATOM 229 C5 DG A 8 -2.278 -2.022 9.966 1.00 0.00 C ATOM 230 C6 DG A 8 -0.902 -2.220 10.192 1.00 0.00 C ATOM 231 O6 DG A 8 -0.047 -1.335 10.233 1.00 0.00 O ATOM 232 N1 DG A 8 -0.570 -3.551 10.390 1.00 0.00 N ATOM 233 C2 DG A 8 -1.452 -4.594 10.351 1.00 0.00 C ATOM 234 N2 DG A 8 -0.838 -5.756 10.521 1.00 0.00 N ATOM 235 N3 DG A 8 -2.770 -4.424 10.128 1.00 0.00 N ATOM 236 C4 DG A 8 -3.134 -3.122 9.957 1.00 0.00 C ATOM 0 H5' DG A 8 -7.031 -0.752 8.176 1.00 0.00 H new ATOM 0 H5'' DG A 8 -7.526 -1.606 6.728 1.00 0.00 H new ATOM 0 H4' DG A 8 -8.468 -3.405 8.060 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.826 -1.906 10.209 1.00 0.00 H new ATOM 0 H2' DG A 8 -6.528 -1.534 10.910 1.00 0.00 H new ATOM 0 H2'' DG A 8 -6.794 -3.070 11.711 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.576 -4.265 10.145 1.00 0.00 H new ATOM 0 H8 DG A 8 -5.028 -0.538 9.428 1.00 0.00 H new ATOM 0 H1 DG A 8 0.408 -3.769 10.579 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.376 -6.623 10.515 1.00 0.00 H new ATOM 0 H22 DG A 8 0.172 -5.784 10.658 1.00 0.00 H new ATOM 248 P DG A 9 -8.632 -5.482 10.569 1.00 0.00 P ATOM 249 OP1 DG A 9 -8.642 -5.957 9.169 1.00 0.00 O ATOM 250 OP2 DG A 9 -9.724 -6.002 11.421 1.00 0.00 O ATOM 251 O5' DG A 9 -7.231 -5.712 11.306 1.00 0.00 O ATOM 252 C5' DG A 9 -6.332 -6.835 11.530 1.00 0.00 C ATOM 253 C4' DG A 9 -5.418 -6.697 12.787 1.00 0.00 C ATOM 254 O4' DG A 9 -4.397 -5.653 12.578 1.00 0.00 O ATOM 255 C3' DG A 9 -6.160 -6.292 14.077 1.00 0.00 C ATOM 256 O3' DG A 9 -5.890 -7.172 15.172 1.00 0.00 O ATOM 257 C2' DG A 9 -5.550 -4.898 14.436 1.00 0.00 C ATOM 258 C1' DG A 9 -4.156 -4.993 13.814 1.00 0.00 C ATOM 259 N9 DG A 9 -3.443 -3.697 13.568 1.00 0.00 N ATOM 260 C8 DG A 9 -3.965 -2.491 13.210 1.00 0.00 C ATOM 261 N7 DG A 9 -3.086 -1.507 13.083 1.00 0.00 N ATOM 262 C5 DG A 9 -1.879 -2.108 13.394 1.00 0.00 C ATOM 263 C6 DG A 9 -0.574 -1.560 13.445 1.00 0.00 C ATOM 264 O6 DG A 9 -0.244 -0.399 13.173 1.00 0.00 O ATOM 265 N1 DG A 9 0.361 -2.480 13.873 1.00 0.00 N ATOM 266 C2 DG A 9 0.109 -3.775 14.215 1.00 0.00 C ATOM 267 N2 DG A 9 1.180 -4.382 14.696 1.00 0.00 N ATOM 268 N3 DG A 9 -1.105 -4.321 14.116 1.00 0.00 N ATOM 269 C4 DG A 9 -2.064 -3.454 13.710 1.00 0.00 C ATOM 0 H5' DG A 9 -5.701 -6.959 10.650 1.00 0.00 H new ATOM 0 H5'' DG A 9 -6.925 -7.744 11.627 1.00 0.00 H new ATOM 0 H4' DG A 9 -4.995 -7.694 12.912 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.238 -6.306 13.916 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.130 -4.077 14.014 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.506 -4.737 15.513 1.00 0.00 H new ATOM 0 HO3' DG A 9 -6.382 -6.870 15.964 1.00 0.00 H new ATOM 0 H1' DG A 9 -3.487 -5.504 14.507 1.00 0.00 H new ATOM 0 H8 DG A 9 -5.022 -2.346 13.041 1.00 0.00 H new ATOM 0 H1 DG A 9 1.328 -2.162 13.939 1.00 0.00 H new ATOM 0 H21 DG A 9 1.125 -5.357 14.990 1.00 0.00 H new ATOM 0 H22 DG A 9 2.062 -3.875 14.773 1.00 0.00 H new ATOM 282 O5' DC A 15 7.114 -1.916 18.235 1.00 0.00 O ATOM 283 C5' DC A 15 7.615 -2.391 16.976 1.00 0.00 C ATOM 284 C4' DC A 15 7.149 -3.841 16.676 1.00 0.00 C ATOM 285 O4' DC A 15 5.694 -3.848 16.467 1.00 0.00 O ATOM 286 C3' DC A 15 7.746 -4.448 15.387 1.00 0.00 C ATOM 287 O3' DC A 15 8.373 -5.737 15.652 1.00 0.00 O ATOM 288 C2' DC A 15 6.557 -4.582 14.419 1.00 0.00 C ATOM 289 C1' DC A 15 5.370 -3.909 15.080 1.00 0.00 C ATOM 290 N1 DC A 15 4.914 -2.559 14.573 1.00 0.00 N ATOM 291 C2 DC A 15 3.625 -2.119 15.021 1.00 0.00 C ATOM 292 O2 DC A 15 3.050 -2.597 16.013 1.00 0.00 O ATOM 293 N3 DC A 15 2.951 -1.188 14.291 1.00 0.00 N ATOM 294 C4 DC A 15 3.470 -0.666 13.180 1.00 0.00 C ATOM 295 N4 DC A 15 2.673 0.143 12.478 1.00 0.00 N ATOM 296 C5 DC A 15 4.785 -1.026 12.740 1.00 0.00 C ATOM 297 C6 DC A 15 5.453 -1.947 13.440 1.00 0.00 C ATOM 0 H5' DC A 15 8.704 -2.354 16.982 1.00 0.00 H new ATOM 0 H5'' DC A 15 7.278 -1.729 16.178 1.00 0.00 H new ATOM 0 H4' DC A 15 7.481 -4.428 17.533 1.00 0.00 H new ATOM 0 H3' DC A 15 8.534 -3.822 14.968 1.00 0.00 H new ATOM 0 H2' DC A 15 6.784 -4.112 13.462 1.00 0.00 H new ATOM 0 H2'' DC A 15 6.342 -5.631 14.215 1.00 0.00 H new ATOM 0 HO5' DC A 15 7.430 -1.001 18.389 1.00 0.00 H new ATOM 0 H1' DC A 15 4.498 -4.514 14.832 1.00 0.00 H new ATOM 0 H41 DC A 15 3.013 0.573 11.618 1.00 0.00 H new ATOM 0 H42 DC A 15 1.724 0.331 12.802 1.00 0.00 H new ATOM 0 H5 DC A 15 5.224 -0.566 11.867 1.00 0.00 H new ATOM 0 H6 DC A 15 6.445 -2.228 13.118 1.00 0.00 H new ATOM 310 P DC A 16 8.376 -7.281 15.197 1.00 0.00 P ATOM 311 OP1 DC A 16 7.052 -7.919 15.379 1.00 0.00 O ATOM 312 OP2 DC A 16 9.461 -7.950 15.933 1.00 0.00 O ATOM 313 O5' DC A 16 8.790 -7.259 13.646 1.00 0.00 O ATOM 314 C5' DC A 16 8.273 -6.777 12.371 1.00 0.00 C ATOM 315 C4' DC A 16 6.989 -7.517 11.904 1.00 0.00 C ATOM 316 O4' DC A 16 5.829 -6.621 12.064 1.00 0.00 O ATOM 317 C3' DC A 16 7.034 -7.890 10.407 1.00 0.00 C ATOM 318 O3' DC A 16 6.764 -9.284 10.081 1.00 0.00 O ATOM 319 C2' DC A 16 6.009 -6.978 9.771 1.00 0.00 C ATOM 320 C1' DC A 16 5.025 -6.631 10.895 1.00 0.00 C ATOM 321 N1 DC A 16 4.393 -5.276 10.743 1.00 0.00 N ATOM 322 C2 DC A 16 2.959 -5.105 10.735 1.00 0.00 C ATOM 323 O2 DC A 16 2.155 -6.038 10.877 1.00 0.00 O ATOM 324 N3 DC A 16 2.438 -3.852 10.526 1.00 0.00 N ATOM 325 C4 DC A 16 3.258 -2.829 10.245 1.00 0.00 C ATOM 326 N4 DC A 16 2.747 -1.633 9.969 1.00 0.00 N ATOM 327 C5 DC A 16 4.671 -2.973 10.236 1.00 0.00 C ATOM 328 C6 DC A 16 5.183 -4.170 10.493 1.00 0.00 C ATOM 0 H5' DC A 16 9.045 -6.889 11.609 1.00 0.00 H new ATOM 0 H5'' DC A 16 8.059 -5.711 12.454 1.00 0.00 H new ATOM 0 H4' DC A 16 6.915 -8.422 12.507 1.00 0.00 H new ATOM 0 H3' DC A 16 8.051 -7.762 10.036 1.00 0.00 H new ATOM 0 H2' DC A 16 6.478 -6.081 9.367 1.00 0.00 H new ATOM 0 H2'' DC A 16 5.502 -7.473 8.943 1.00 0.00 H new ATOM 0 H1' DC A 16 4.201 -7.345 10.906 1.00 0.00 H new ATOM 0 H41 DC A 16 3.366 -0.851 9.755 1.00 0.00 H new ATOM 0 H42 DC A 16 1.736 -1.497 9.972 1.00 0.00 H new ATOM 0 H5 DC A 16 5.312 -2.130 10.025 1.00 0.00 H new ATOM 0 H6 DC A 16 6.257 -4.284 10.507 1.00 0.00 H new ATOM 340 P DA A 17 5.900 -10.547 10.547 1.00 0.00 P ATOM 341 OP1 DA A 17 5.339 -10.343 11.905 1.00 0.00 O ATOM 342 OP2 DA A 17 6.733 -11.760 10.392 1.00 0.00 O ATOM 343 O5' DA A 17 4.722 -10.646 9.447 1.00 0.00 O ATOM 344 C5' DA A 17 3.610 -9.734 9.231 1.00 0.00 C ATOM 345 C4' DA A 17 2.751 -9.987 7.964 1.00 0.00 C ATOM 346 O4' DA A 17 1.782 -8.879 7.961 1.00 0.00 O ATOM 347 C3' DA A 17 3.527 -9.904 6.628 1.00 0.00 C ATOM 348 O3' DA A 17 3.407 -11.041 5.727 1.00 0.00 O ATOM 349 C2' DA A 17 2.929 -8.712 5.892 1.00 0.00 C ATOM 350 C1' DA A 17 1.903 -8.043 6.819 1.00 0.00 C ATOM 351 N9 DA A 17 2.184 -6.611 7.177 1.00 0.00 N ATOM 352 C8 DA A 17 3.400 -5.974 7.164 1.00 0.00 C ATOM 353 N7 DA A 17 3.361 -4.661 7.211 1.00 0.00 N ATOM 354 C5 DA A 17 1.995 -4.398 7.180 1.00 0.00 C ATOM 355 C6 DA A 17 1.293 -3.169 7.102 1.00 0.00 C ATOM 356 N6 DA A 17 1.953 -2.007 7.040 1.00 0.00 N ATOM 357 N1 DA A 17 -0.058 -3.208 7.033 1.00 0.00 N ATOM 358 C2 DA A 17 -0.663 -4.405 7.024 1.00 0.00 C ATOM 359 N3 DA A 17 -0.122 -5.623 7.146 1.00 0.00 N ATOM 360 C4 DA A 17 1.239 -5.553 7.189 1.00 0.00 C ATOM 0 H5' DA A 17 4.005 -8.719 9.180 1.00 0.00 H new ATOM 0 H5'' DA A 17 2.956 -9.779 10.102 1.00 0.00 H new ATOM 0 H4' DA A 17 2.338 -10.995 8.015 1.00 0.00 H new ATOM 0 H3' DA A 17 4.584 -9.848 6.886 1.00 0.00 H new ATOM 0 H2' DA A 17 3.711 -8.004 5.616 1.00 0.00 H new ATOM 0 H2'' DA A 17 2.452 -9.036 4.967 1.00 0.00 H new ATOM 0 H1' DA A 17 0.959 -7.956 6.281 1.00 0.00 H new ATOM 0 H8 DA A 17 4.332 -6.518 7.118 1.00 0.00 H new ATOM 0 H61 DA A 17 1.436 -1.129 6.984 1.00 0.00 H new ATOM 0 H62 DA A 17 2.973 -1.999 7.049 1.00 0.00 H new ATOM 0 H2 DA A 17 -1.736 -4.383 6.901 1.00 0.00 H new ATOM 372 P DG A 18 2.483 -12.245 5.232 1.00 0.00 P ATOM 373 OP1 DG A 18 1.949 -12.967 6.408 1.00 0.00 O ATOM 374 OP2 DG A 18 3.330 -13.040 4.312 1.00 0.00 O ATOM 375 O5' DG A 18 1.294 -11.592 4.374 1.00 0.00 O ATOM 376 C5' DG A 18 0.002 -11.025 4.757 1.00 0.00 C ATOM 377 C4' DG A 18 -0.510 -9.848 3.881 1.00 0.00 C ATOM 378 O4' DG A 18 0.165 -8.611 4.238 1.00 0.00 O ATOM 379 C3' DG A 18 -0.307 -9.970 2.353 1.00 0.00 C ATOM 380 O3' DG A 18 -1.503 -10.204 1.556 1.00 0.00 O ATOM 381 C2' DG A 18 0.348 -8.631 1.943 1.00 0.00 C ATOM 382 C1' DG A 18 0.112 -7.714 3.153 1.00 0.00 C ATOM 383 N9 DG A 18 1.149 -6.663 3.384 1.00 0.00 N ATOM 384 C8 DG A 18 2.506 -6.797 3.386 1.00 0.00 C ATOM 385 N7 DG A 18 3.178 -5.675 3.629 1.00 0.00 N ATOM 386 C5 DG A 18 2.176 -4.711 3.735 1.00 0.00 C ATOM 387 C6 DG A 18 2.262 -3.303 3.921 1.00 0.00 C ATOM 388 O6 DG A 18 3.293 -2.650 4.130 1.00 0.00 O ATOM 389 N1 DG A 18 1.010 -2.685 3.884 1.00 0.00 N ATOM 390 C2 DG A 18 -0.190 -3.339 3.761 1.00 0.00 C ATOM 391 N2 DG A 18 -1.238 -2.537 3.742 1.00 0.00 N ATOM 392 N3 DG A 18 -0.275 -4.657 3.647 1.00 0.00 N ATOM 393 C4 DG A 18 0.916 -5.296 3.608 1.00 0.00 C ATOM 0 H5' DG A 18 0.070 -10.681 5.789 1.00 0.00 H new ATOM 0 H5'' DG A 18 -0.743 -11.820 4.734 1.00 0.00 H new ATOM 0 H4' DG A 18 -1.580 -9.865 4.088 1.00 0.00 H new ATOM 0 H3' DG A 18 0.292 -10.859 2.154 1.00 0.00 H new ATOM 0 H2' DG A 18 1.411 -8.754 1.737 1.00 0.00 H new ATOM 0 H2'' DG A 18 -0.107 -8.225 1.040 1.00 0.00 H new ATOM 0 H1' DG A 18 -0.815 -7.159 3.009 1.00 0.00 H new ATOM 0 H8 DG A 18 2.997 -7.741 3.204 1.00 0.00 H new ATOM 0 H1 DG A 18 0.986 -1.668 3.954 1.00 0.00 H new ATOM 0 H21 DG A 18 -2.177 -2.926 3.654 1.00 0.00 H new ATOM 0 H22 DG A 18 -1.109 -1.528 3.816 1.00 0.00 H new ATOM 405 P DG A 19 -3.100 -10.112 1.725 1.00 0.00 P ATOM 406 OP1 DG A 19 -3.525 -10.848 2.944 1.00 0.00 O ATOM 407 OP2 DG A 19 -3.723 -10.582 0.464 1.00 0.00 O ATOM 408 O5' DG A 19 -3.356 -8.541 1.898 1.00 0.00 O ATOM 409 C5' DG A 19 -4.211 -7.794 2.821 1.00 0.00 C ATOM 410 C4' DG A 19 -4.793 -6.469 2.249 1.00 0.00 C ATOM 411 O4' DG A 19 -3.746 -5.449 2.170 1.00 0.00 O ATOM 412 C3' DG A 19 -5.402 -6.587 0.846 1.00 0.00 C ATOM 413 O3' DG A 19 -6.688 -5.915 0.745 1.00 0.00 O ATOM 414 C2' DG A 19 -4.319 -5.946 -0.033 1.00 0.00 C ATOM 415 C1' DG A 19 -3.685 -4.899 0.863 1.00 0.00 C ATOM 416 N9 DG A 19 -2.245 -4.671 0.589 1.00 0.00 N ATOM 417 C8 DG A 19 -1.286 -5.631 0.553 1.00 0.00 C ATOM 418 N7 DG A 19 -0.054 -5.186 0.372 1.00 0.00 N ATOM 419 C5 DG A 19 -0.200 -3.809 0.414 1.00 0.00 C ATOM 420 C6 DG A 19 0.781 -2.787 0.407 1.00 0.00 C ATOM 421 O6 DG A 19 2.005 -2.941 0.382 1.00 0.00 O ATOM 422 N1 DG A 19 0.217 -1.521 0.474 1.00 0.00 N ATOM 423 C2 DG A 19 -1.119 -1.250 0.516 1.00 0.00 C ATOM 424 N2 DG A 19 -1.380 0.044 0.491 1.00 0.00 N ATOM 425 N3 DG A 19 -2.049 -2.197 0.559 1.00 0.00 N ATOM 426 C4 DG A 19 -1.546 -3.455 0.511 1.00 0.00 C ATOM 0 H5' DG A 19 -3.637 -7.564 3.719 1.00 0.00 H new ATOM 0 H5'' DG A 19 -5.038 -8.435 3.126 1.00 0.00 H new ATOM 0 H4' DG A 19 -5.591 -6.202 2.942 1.00 0.00 H new ATOM 0 H3' DG A 19 -5.636 -7.611 0.554 1.00 0.00 H new ATOM 0 H2' DG A 19 -3.587 -6.683 -0.364 1.00 0.00 H new ATOM 0 H2'' DG A 19 -4.747 -5.497 -0.929 1.00 0.00 H new ATOM 0 H1' DG A 19 -4.207 -3.954 0.714 1.00 0.00 H new ATOM 0 H8 DG A 19 -1.513 -6.681 0.664 1.00 0.00 H new ATOM 0 H1 DG A 19 0.856 -0.726 0.493 1.00 0.00 H new ATOM 0 H21 DG A 19 -2.346 0.370 0.518 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.615 0.718 0.445 1.00 0.00 H new ATOM 438 P DA A 20 -7.610 -5.612 -0.523 1.00 0.00 P ATOM 439 OP1 DA A 20 -9.017 -5.617 -0.069 1.00 0.00 O ATOM 440 OP2 DA A 20 -7.284 -6.625 -1.559 1.00 0.00 O ATOM 441 O5' DA A 20 -7.155 -4.137 -0.984 1.00 0.00 O ATOM 442 C5' DA A 20 -7.409 -2.905 -0.234 1.00 0.00 C ATOM 443 C4' DA A 20 -7.001 -1.569 -0.893 1.00 0.00 C ATOM 444 O4' DA A 20 -5.546 -1.470 -0.995 1.00 0.00 O ATOM 445 C3' DA A 20 -7.577 -1.328 -2.295 1.00 0.00 C ATOM 446 O3' DA A 20 -8.177 -0.003 -2.429 1.00 0.00 O ATOM 447 C2' DA A 20 -6.347 -1.530 -3.190 1.00 0.00 C ATOM 448 C1' DA A 20 -5.168 -1.100 -2.309 1.00 0.00 C ATOM 449 N9 DA A 20 -3.899 -1.836 -2.556 1.00 0.00 N ATOM 450 C8 DA A 20 -3.749 -3.193 -2.554 1.00 0.00 C ATOM 451 N7 DA A 20 -2.512 -3.622 -2.705 1.00 0.00 N ATOM 452 C5 DA A 20 -1.778 -2.437 -2.729 1.00 0.00 C ATOM 453 C6 DA A 20 -0.384 -2.205 -2.794 1.00 0.00 C ATOM 454 N6 DA A 20 0.496 -3.206 -2.682 1.00 0.00 N ATOM 455 N1 DA A 20 0.043 -0.922 -2.892 1.00 0.00 N ATOM 456 C2 DA A 20 -0.856 0.068 -2.839 1.00 0.00 C ATOM 457 N3 DA A 20 -2.179 -0.027 -2.670 1.00 0.00 N ATOM 458 C4 DA A 20 -2.589 -1.324 -2.655 1.00 0.00 C ATOM 0 H5' DA A 20 -6.890 -2.980 0.722 1.00 0.00 H new ATOM 0 H5'' DA A 20 -8.476 -2.859 -0.015 1.00 0.00 H new ATOM 0 H4' DA A 20 -7.423 -0.810 -0.233 1.00 0.00 H new ATOM 0 H3' DA A 20 -8.401 -1.993 -2.552 1.00 0.00 H new ATOM 0 H2' DA A 20 -6.250 -2.569 -3.506 1.00 0.00 H new ATOM 0 H2'' DA A 20 -6.409 -0.926 -4.095 1.00 0.00 H new ATOM 0 H1' DA A 20 -4.982 -0.043 -2.500 1.00 0.00 H new ATOM 0 H8 DA A 20 -4.585 -3.867 -2.437 1.00 0.00 H new ATOM 0 H61 DA A 20 1.496 -3.014 -2.732 1.00 0.00 H new ATOM 0 H62 DA A 20 0.167 -4.162 -2.546 1.00 0.00 H new ATOM 0 H2 DA A 20 -0.464 1.069 -2.946 1.00 0.00 H new ATOM 470 P DG A 21 -8.771 0.864 -3.641 1.00 0.00 P ATOM 471 OP1 DG A 21 -9.681 1.920 -3.133 1.00 0.00 O ATOM 472 OP2 DG A 21 -9.334 -0.042 -4.662 1.00 0.00 O ATOM 473 O5' DG A 21 -7.477 1.571 -4.262 1.00 0.00 O ATOM 474 C5' DG A 21 -6.663 2.617 -3.651 1.00 0.00 C ATOM 475 C4' DG A 21 -5.365 2.996 -4.410 1.00 0.00 C ATOM 476 O4' DG A 21 -4.489 1.819 -4.454 1.00 0.00 O ATOM 477 C3' DG A 21 -5.569 3.415 -5.886 1.00 0.00 C ATOM 478 O3' DG A 21 -4.959 4.711 -6.156 1.00 0.00 O ATOM 479 C2' DG A 21 -4.802 2.306 -6.660 1.00 0.00 C ATOM 480 C1' DG A 21 -3.751 1.847 -5.664 1.00 0.00 C ATOM 481 N9 DG A 21 -3.190 0.484 -5.893 1.00 0.00 N ATOM 482 C8 DG A 21 -3.878 -0.683 -5.883 1.00 0.00 C ATOM 483 N7 DG A 21 -3.129 -1.783 -5.985 1.00 0.00 N ATOM 484 C5 DG A 21 -1.825 -1.286 -6.042 1.00 0.00 C ATOM 485 C6 DG A 21 -0.567 -1.961 -6.120 1.00 0.00 C ATOM 486 O6 DG A 21 -0.373 -3.183 -6.083 1.00 0.00 O ATOM 487 N1 DG A 21 0.501 -1.072 -6.194 1.00 0.00 N ATOM 488 C2 DG A 21 0.411 0.289 -6.140 1.00 0.00 C ATOM 489 N2 DG A 21 1.588 0.886 -6.181 1.00 0.00 N ATOM 490 N3 DG A 21 -0.752 0.923 -6.046 1.00 0.00 N ATOM 491 C4 DG A 21 -1.835 0.111 -6.002 1.00 0.00 C ATOM 0 H5' DG A 21 -6.392 2.298 -2.644 1.00 0.00 H new ATOM 0 H5'' DG A 21 -7.275 3.513 -3.548 1.00 0.00 H new ATOM 0 H4' DG A 21 -4.956 3.848 -3.867 1.00 0.00 H new ATOM 0 H3' DG A 21 -6.620 3.511 -6.158 1.00 0.00 H new ATOM 0 H2' DG A 21 -5.462 1.490 -6.953 1.00 0.00 H new ATOM 0 H2'' DG A 21 -4.349 2.693 -7.573 1.00 0.00 H new ATOM 0 H1' DG A 21 -2.882 2.503 -5.710 1.00 0.00 H new ATOM 0 H8 DG A 21 -4.954 -0.721 -5.799 1.00 0.00 H new ATOM 0 H1 DG A 21 1.433 -1.473 -6.298 1.00 0.00 H new ATOM 0 H21 DG A 21 1.645 1.904 -6.147 1.00 0.00 H new ATOM 0 H22 DG A 21 2.440 0.329 -6.246 1.00 0.00 H new ATOM 503 P DT A 22 -5.159 5.712 -7.388 1.00 0.00 P ATOM 504 OP1 DT A 22 -5.096 7.122 -6.913 1.00 0.00 O ATOM 505 OP2 DT A 22 -6.400 5.356 -8.127 1.00 0.00 O ATOM 506 O5' DT A 22 -3.896 5.383 -8.343 1.00 0.00 O ATOM 507 C5' DT A 22 -2.475 5.677 -8.122 1.00 0.00 C ATOM 508 C4' DT A 22 -1.438 5.123 -9.159 1.00 0.00 C ATOM 509 O4' DT A 22 -1.047 3.769 -8.755 1.00 0.00 O ATOM 510 C3' DT A 22 -1.971 4.979 -10.625 1.00 0.00 C ATOM 511 O3' DT A 22 -1.183 5.603 -11.664 1.00 0.00 O ATOM 512 C2' DT A 22 -1.860 3.466 -10.873 1.00 0.00 C ATOM 513 C1' DT A 22 -0.736 3.034 -9.914 1.00 0.00 C ATOM 514 N1 DT A 22 -0.711 1.579 -9.540 1.00 0.00 N ATOM 515 C2 DT A 22 0.514 0.837 -9.592 1.00 0.00 C ATOM 516 O2 DT A 22 1.656 1.305 -9.556 1.00 0.00 O ATOM 517 N3 DT A 22 0.340 -0.545 -9.637 1.00 0.00 N ATOM 518 C4 DT A 22 -0.873 -1.220 -9.694 1.00 0.00 C ATOM 519 O4 DT A 22 -0.881 -2.418 -9.968 1.00 0.00 O ATOM 520 C5 DT A 22 -2.055 -0.422 -9.430 1.00 0.00 C ATOM 521 C7 DT A 22 -3.398 -1.086 -9.301 1.00 0.00 C ATOM 522 C6 DT A 22 -1.911 0.909 -9.335 1.00 0.00 C ATOM 0 H5' DT A 22 -2.203 5.291 -7.140 1.00 0.00 H new ATOM 0 H5'' DT A 22 -2.361 6.760 -8.082 1.00 0.00 H new ATOM 0 H4' DT A 22 -0.628 5.853 -9.160 1.00 0.00 H new ATOM 0 H3' DT A 22 -2.952 5.451 -10.682 1.00 0.00 H new ATOM 0 H2' DT A 22 -2.796 2.952 -10.654 1.00 0.00 H new ATOM 0 H2'' DT A 22 -1.611 3.245 -11.911 1.00 0.00 H new ATOM 0 H1' DT A 22 0.234 3.206 -10.381 1.00 0.00 H new ATOM 0 H3 DT A 22 1.185 -1.116 -9.627 1.00 0.00 H new ATOM 0 H71 DT A 22 -4.025 -0.509 -8.622 1.00 0.00 H new ATOM 0 H72 DT A 22 -3.874 -1.137 -10.280 1.00 0.00 H new ATOM 0 H73 DT A 22 -3.269 -2.094 -8.908 1.00 0.00 H new ATOM 0 H6 DT A 22 -2.782 1.496 -9.084 1.00 0.00 H new ATOM 535 P DG A 23 -0.670 7.064 -12.010 1.00 0.00 P ATOM 536 OP1 DG A 23 -0.814 7.976 -10.854 1.00 0.00 O ATOM 537 OP2 DG A 23 -1.321 7.495 -13.270 1.00 0.00 O ATOM 538 O5' DG A 23 0.859 6.776 -12.349 1.00 0.00 O ATOM 539 C5' DG A 23 1.975 6.195 -11.614 1.00 0.00 C ATOM 540 C4' DG A 23 2.732 5.047 -12.332 1.00 0.00 C ATOM 541 O4' DG A 23 2.119 3.755 -12.076 1.00 0.00 O ATOM 542 C3' DG A 23 2.798 5.101 -13.862 1.00 0.00 C ATOM 543 O3' DG A 23 3.974 5.745 -14.363 1.00 0.00 O ATOM 544 C2' DG A 23 2.752 3.616 -14.290 1.00 0.00 C ATOM 545 C1' DG A 23 2.719 2.831 -12.974 1.00 0.00 C ATOM 546 N9 DG A 23 1.841 1.634 -13.020 1.00 0.00 N ATOM 547 C8 DG A 23 0.505 1.677 -13.229 1.00 0.00 C ATOM 548 N7 DG A 23 -0.096 0.495 -13.241 1.00 0.00 N ATOM 549 C5 DG A 23 0.950 -0.403 -13.052 1.00 0.00 C ATOM 550 C6 DG A 23 0.935 -1.813 -13.001 1.00 0.00 C ATOM 551 O6 DG A 23 -0.062 -2.521 -13.154 1.00 0.00 O ATOM 552 N1 DG A 23 2.197 -2.363 -12.805 1.00 0.00 N ATOM 553 C2 DG A 23 3.363 -1.656 -12.699 1.00 0.00 C ATOM 554 N2 DG A 23 4.427 -2.439 -12.562 1.00 0.00 N ATOM 555 N3 DG A 23 3.386 -0.311 -12.745 1.00 0.00 N ATOM 556 C4 DG A 23 2.165 0.264 -12.915 1.00 0.00 C ATOM 0 H5' DG A 23 1.602 5.819 -10.662 1.00 0.00 H new ATOM 0 H5'' DG A 23 2.687 6.988 -11.386 1.00 0.00 H new ATOM 0 H4' DG A 23 3.732 5.179 -11.918 1.00 0.00 H new ATOM 0 H3' DG A 23 1.980 5.697 -14.268 1.00 0.00 H new ATOM 0 H2' DG A 23 1.872 3.406 -14.898 1.00 0.00 H new ATOM 0 H2'' DG A 23 3.623 3.349 -14.888 1.00 0.00 H new ATOM 0 HO3' DG A 23 3.955 5.744 -15.343 1.00 0.00 H new ATOM 0 H1' DG A 23 3.715 2.473 -12.715 1.00 0.00 H new ATOM 0 H8 DG A 23 -0.031 2.603 -13.375 1.00 0.00 H new ATOM 0 H1 DG A 23 2.258 -3.379 -12.734 1.00 0.00 H new ATOM 0 H21 DG A 23 5.356 -2.027 -12.473 1.00 0.00 H new ATOM 0 H22 DG A 23 4.315 -3.453 -12.545 1.00 0.00 H new TER 569 DG A 23 HETATM 570 C1 DAG A 31 2.515 8.403 -3.837 1.00 0.00 C HETATM 571 C2 DAG A 31 1.972 9.423 -2.814 1.00 0.00 C HETATM 572 C3 DAG A 31 0.680 8.927 -2.117 1.00 0.00 C HETATM 573 C4 DAG A 31 -0.313 8.294 -3.112 1.00 0.00 C HETATM 574 C5 DAG A 31 0.412 7.223 -3.944 1.00 0.00 C HETATM 575 C6 DAG A 31 -0.482 6.555 -4.995 1.00 0.00 C HETATM 576 O1 DAG A 31 3.465 9.002 -4.708 1.00 0.00 O HETATM 577 O2 DAG A 31 2.955 9.686 -1.818 1.00 0.00 O HETATM 578 O3 DAG A 31 0.060 10.022 -1.420 1.00 0.00 O HETATM 579 N4 DAG A 31 -1.529 7.832 -2.422 1.00 0.00 N HETATM 580 O5 DAG A 31 1.457 7.885 -4.631 1.00 0.00 O HETATM 0 HN42 DAG A 31 -2.280 7.390 -2.953 1.00 0.00 H new HETATM 0 HO3 DAG A 31 0.092 9.855 -0.455 1.00 0.00 H new HETATM 0 H63 DAG A 31 -1.324 6.069 -4.501 1.00 0.00 H new HETATM 0 H62 DAG A 31 -0.854 7.309 -5.688 1.00 0.00 H new HETATM 0 H61 DAG A 31 0.095 5.811 -5.544 1.00 0.00 H new HETATM 0 H5 DAG A 31 0.752 6.440 -3.267 1.00 0.00 H new HETATM 0 H4 DAG A 31 -0.672 9.038 -3.823 1.00 0.00 H new HETATM 0 H3 DAG A 31 0.960 8.148 -1.408 1.00 0.00 H new HETATM 0 H2 DAG A 31 1.734 10.331 -3.369 1.00 0.00 H new HETATM 0 H1 DAG A 31 2.992 7.603 -3.270 1.00 0.00 H new HETATM 591 C1 DSR A 32 -2.085 5.561 -1.674 1.00 0.00 C HETATM 592 C2 DSR A 32 -1.322 4.294 -1.268 1.00 0.00 C HETATM 593 C3 DSR A 32 -2.258 3.098 -1.302 1.00 0.00 C HETATM 594 C4 DSR A 32 -3.545 3.355 -0.496 1.00 0.00 C HETATM 595 C5 DSR A 32 -4.176 4.697 -0.932 1.00 0.00 C HETATM 596 C6 DSR A 32 -5.355 5.118 -0.051 1.00 0.00 C HETATM 597 O1 DSR A 32 -1.252 6.696 -1.493 1.00 0.00 O HETATM 598 O3 DSR A 32 -2.504 2.896 -2.677 1.00 0.00 O HETATM 599 O5 DSR A 32 -3.202 5.721 -0.814 1.00 0.00 O HETATM 600 S4 DSR A 32 -4.697 1.923 -0.393 1.00 0.00 S HETATM 0 HO3 DSR A 32 -2.298 1.968 -2.913 1.00 0.00 H new HETATM 0 H63 DSR A 32 -6.133 4.356 -0.096 1.00 0.00 H new HETATM 0 H62 DSR A 32 -5.017 5.231 0.979 1.00 0.00 H new HETATM 0 H61 DSR A 32 -5.755 6.067 -0.408 1.00 0.00 H new HETATM 0 H5 DSR A 32 -4.529 4.557 -1.954 1.00 0.00 H new HETATM 0 H4 DSR A 32 -3.267 3.462 0.553 1.00 0.00 H new HETATM 0 H3 DSR A 32 -1.828 2.212 -0.834 1.00 0.00 H new HETATM 0 H22 DSR A 32 -0.483 4.131 -1.945 1.00 0.00 H new HETATM 0 H21 DSR A 32 -0.906 4.414 -0.268 1.00 0.00 H new HETATM 0 H1 DSR A 32 -2.395 5.471 -2.715 1.00 0.00 H new HETATM 611 C1 HIB A 33 -6.350 -1.027 3.323 1.00 0.00 C HETATM 612 C2 HIB A 33 -7.819 -0.856 3.328 1.00 0.00 C HETATM 613 C3 HIB A 33 -8.358 0.220 2.691 1.00 0.00 C HETATM 614 C4 HIB A 33 -7.468 1.202 2.004 1.00 0.00 C HETATM 615 C5 HIB A 33 -6.126 1.045 2.001 1.00 0.00 C HETATM 616 C6 HIB A 33 -5.543 -0.134 2.698 1.00 0.00 C HETATM 617 C7 HIB A 33 -5.234 2.045 1.304 1.00 0.00 C HETATM 618 C8 HIB A 33 -4.035 -0.259 2.661 1.00 0.00 C HETATM 619 C9 HIB A 33 -10.275 0.744 3.926 1.00 0.00 C HETATM 620 CX HIB A 33 -8.522 1.961 0.095 1.00 0.00 C HETATM 621 O3 HIB A 33 -9.707 0.446 2.661 1.00 0.00 O HETATM 622 O4 HIB A 33 -7.988 2.275 1.369 1.00 0.00 O HETATM 623 O7 HIB A 33 -4.863 2.982 1.999 1.00 0.00 O HETATM 624 I1 HIB A 33 -5.581 -2.699 4.319 1.00 0.00 I HETATM 0 HX3 HIB A 33 -7.735 1.552 -0.539 1.00 0.00 H new HETATM 0 HX2 HIB A 33 -9.318 1.225 0.206 1.00 0.00 H new HETATM 0 HX1 HIB A 33 -8.924 2.864 -0.364 1.00 0.00 H new HETATM 0 H93 HIB A 33 -10.106 -0.091 4.606 1.00 0.00 H new HETATM 0 H92 HIB A 33 -9.810 1.642 4.331 1.00 0.00 H new HETATM 0 H91 HIB A 33 -11.347 0.910 3.814 1.00 0.00 H new HETATM 0 H83 HIB A 33 -3.644 -0.248 3.678 1.00 0.00 H new HETATM 0 H82 HIB A 33 -3.759 -1.195 2.176 1.00 0.00 H new HETATM 0 H81 HIB A 33 -3.614 0.577 2.102 1.00 0.00 H new HETATM 634 C1 MRP A 34 -9.397 -2.724 3.297 1.00 0.00 C HETATM 635 C2 MRP A 34 -8.853 -4.182 3.446 1.00 0.00 C HETATM 636 C3 MRP A 34 -8.849 -4.551 4.951 1.00 0.00 C HETATM 637 C4 MRP A 34 -10.283 -4.429 5.521 1.00 0.00 C HETATM 638 C5 MRP A 34 -10.830 -3.000 5.236 1.00 0.00 C HETATM 639 C6 MRP A 34 -12.327 -2.875 5.552 1.00 0.00 C HETATM 640 C7 MRP A 34 -7.106 -5.957 5.923 1.00 0.00 C HETATM 641 O1 MRP A 34 -8.557 -1.818 3.999 1.00 0.00 O HETATM 642 O2 MRP A 34 -9.606 -5.160 2.704 1.00 0.00 O HETATM 643 O3 MRP A 34 -8.318 -5.858 5.187 1.00 0.00 O HETATM 644 O4 MRP A 34 -10.348 -4.743 6.920 1.00 0.00 O HETATM 645 O5 MRP A 34 -10.698 -2.652 3.865 1.00 0.00 O HETATM 0 HO4 MRP A 34 -9.519 -5.189 7.194 1.00 0.00 H new HETATM 0 HO2 MRP A 34 -9.292 -5.179 1.776 1.00 0.00 H new HETATM 0 H73 MRP A 34 -6.317 -5.419 5.398 1.00 0.00 H new HETATM 0 H72 MRP A 34 -7.245 -5.523 6.913 1.00 0.00 H new HETATM 0 H71 MRP A 34 -6.826 -7.006 6.023 1.00 0.00 H new HETATM 0 H63 MRP A 34 -12.888 -3.579 4.938 1.00 0.00 H new HETATM 0 H62 MRP A 34 -12.496 -3.097 6.606 1.00 0.00 H new HETATM 0 H61 MRP A 34 -12.661 -1.860 5.337 1.00 0.00 H new HETATM 0 H5 MRP A 34 -10.241 -2.343 5.876 1.00 0.00 H new HETATM 0 H4 MRP A 34 -10.911 -5.165 5.019 1.00 0.00 H new HETATM 0 H3 MRP A 34 -8.193 -3.849 5.466 1.00 0.00 H new HETATM 0 H2 MRP A 34 -7.847 -4.200 3.028 1.00 0.00 H new HETATM 0 H1 MRP A 34 -9.422 -2.463 2.239 1.00 0.00 H new HETATM 659 C1 EMP A 35 3.273 11.036 -1.581 1.00 0.00 C HETATM 660 C2 EMP A 35 3.708 11.160 -0.115 1.00 0.00 C HETATM 661 C3 EMP A 35 5.097 10.528 0.125 1.00 0.00 C HETATM 662 C4 EMP A 35 6.140 11.001 -0.917 1.00 0.00 C HETATM 663 C5 EMP A 35 5.566 10.725 -2.320 1.00 0.00 C HETATM 664 C6 EMP A 35 8.663 10.838 -1.391 1.00 0.00 C HETATM 665 C7 EMP A 35 9.926 10.110 -0.913 1.00 0.00 C HETATM 666 C8 EMP A 35 5.068 10.111 2.490 1.00 0.00 C HETATM 667 O3 EMP A 35 5.545 10.897 1.411 1.00 0.00 O HETATM 668 N4 EMP A 35 7.471 10.409 -0.630 1.00 0.00 N HETATM 669 O5 EMP A 35 4.330 11.416 -2.445 1.00 0.00 O HETATM 0 HN4 EMP A 35 7.563 9.701 0.098 1.00 0.00 H new HETATM 0 H83 EMP A 35 3.980 10.163 2.525 1.00 0.00 H new HETATM 0 H82 EMP A 35 5.377 9.075 2.350 1.00 0.00 H new HETATM 0 H81 EMP A 35 5.480 10.489 3.426 1.00 0.00 H new HETATM 0 H73 EMP A 35 10.094 10.327 0.142 1.00 0.00 H new HETATM 0 H72 EMP A 35 9.799 9.036 -1.047 1.00 0.00 H new HETATM 0 H71 EMP A 35 10.784 10.449 -1.494 1.00 0.00 H new HETATM 0 H62 EMP A 35 8.798 11.914 -1.281 1.00 0.00 H new HETATM 0 H61 EMP A 35 8.509 10.643 -2.452 1.00 0.00 H new HETATM 0 H52 EMP A 35 6.265 11.057 -3.087 1.00 0.00 H new HETATM 0 H51 EMP A 35 5.418 9.655 -2.465 1.00 0.00 H new HETATM 0 H4 EMP A 35 6.322 12.074 -0.863 1.00 0.00 H new HETATM 0 H3 EMP A 35 4.995 9.447 0.033 1.00 0.00 H new HETATM 0 H22 EMP A 35 3.733 12.212 0.169 1.00 0.00 H new HETATM 0 H21 EMP A 35 2.972 10.674 0.525 1.00 0.00 H new HETATM 687 C1 MTC A 36 4.578 8.275 -5.238 1.00 0.00 C HETATM 688 C2 MTC A 36 4.266 6.835 -5.199 1.00 0.00 C HETATM 689 C3 MTC A 36 3.712 5.819 -5.466 1.00 0.00 C HETATM 690 C4 MTC A 36 2.934 4.808 -6.134 1.00 0.00 C HETATM 691 C5 MTC A 36 2.470 4.983 -7.404 1.00 0.00 C HETATM 692 C6 MTC A 36 2.724 6.175 -8.176 1.00 0.00 C HETATM 693 C7 MTC A 36 3.072 7.201 -8.679 1.00 0.00 C HETATM 694 C8 MTC A 36 3.642 8.524 -8.986 1.00 0.00 C HETATM 695 C9 MTC A 36 4.947 8.404 -9.760 1.00 0.00 C HETATM 696 C10 MTC A 36 6.074 7.882 -8.894 1.00 0.00 C HETATM 697 C11 MTC A 36 5.944 7.892 -7.368 1.00 0.00 C HETATM 698 C12 MTC A 36 4.829 8.417 -6.757 1.00 0.00 C HETATM 699 C13 MTC A 36 3.813 9.142 -7.605 1.00 0.00 C HETATM 700 C14 MTC A 36 2.970 10.317 -7.252 1.00 0.00 C HETATM 701 C15 MTC A 36 3.150 11.194 -6.053 1.00 0.00 C HETATM 702 C16 MTC A 36 6.870 10.951 -6.736 1.00 0.00 C HETATM 703 C17 MTC A 36 8.266 6.898 -6.748 1.00 0.00 C HETATM 704 C18 MTC A 36 10.277 6.051 -5.846 1.00 0.00 C HETATM 705 O8 MTC A 36 2.681 9.153 -9.798 1.00 0.00 O HETATM 706 O10 MTC A 36 7.026 7.437 -9.479 1.00 0.00 O HETATM 707 O71 MTC A 36 8.768 6.772 -7.820 1.00 0.00 O HETATM 708 O72 MTC A 36 8.937 6.567 -5.665 1.00 0.00 O HETATM 709 N11 MTC A 36 7.046 7.386 -6.475 1.00 0.00 N HETATM 710 S1 MTC A 36 3.115 12.935 -6.567 1.00 0.00 S HETATM 711 S2 MTC A 36 4.899 13.152 -7.492 1.00 0.00 S HETATM 712 S3 MTC A 36 6.189 12.499 -6.069 1.00 0.00 S HETATM 0 H183 MTC A 36 10.239 5.145 -6.452 1.00 0.00 H new HETATM 0 H182 MTC A 36 10.890 6.799 -6.349 1.00 0.00 H new HETATM 0 H181 MTC A 36 10.712 5.820 -4.874 1.00 0.00 H new HETATM 0 H163 MTC A 36 6.809 10.170 -5.978 1.00 0.00 H new HETATM 0 H162 MTC A 36 6.298 10.650 -7.613 1.00 0.00 H new HETATM 0 H161 MTC A 36 7.912 11.103 -7.017 1.00 0.00 H new HETATM 0 H152 MTC A 36 2.360 11.002 -5.327 1.00 0.00 H new HETATM 0 H151 MTC A 36 4.096 10.967 -5.562 1.00 0.00 H new HETATM 0 H11A MTC A 36 5.451 8.535 -4.639 1.00 0.00 H new HETATM 0 HO8 MTC A 36 2.995 10.049 -10.043 1.00 0.00 H new HETATM 0 H92 MTC A 36 4.804 7.737 -10.610 1.00 0.00 H new HETATM 0 H91 MTC A 36 5.221 9.379 -10.162 1.00 0.00 H new HETATM 0 H5 MTC A 36 1.880 4.186 -7.857 1.00 0.00 H new HETATM 0 H4 MTC A 36 2.710 3.878 -5.611 1.00 0.00 H new HETATM 0 H14 MTC A 36 2.149 10.560 -7.927 1.00 0.00 H new HETATM 0 H11 MTC A 36 6.824 7.421 -5.480 1.00 0.00 H new