USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 401 hydrogens (129 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: B 26 NBU H41 : B 26 NBU C4 : B 27 CCI CAN :(H bumps) USER MOD NoAdj-H: B 26 NBU H11 : B 26 NBU C1 : B 25 CCI O4D :(H bumps) USER MOD NoAdj-H: B 27 CCIHAN1 : B 27 CCI CAN : B 26 NBU C4 :(H bumps) USER MOD Set 1.1: A 6 DT C7 :methyl 150:sc= -0.0935 (180deg=-0.0803) USER MOD Set 1.2: A 7 DT C7 :methyl 150:sc= -0.0231 (180deg=-0.00991) USER MOD Single : A 1 DG O5' : rot 180:sc= -0.0027 USER MOD Single : A 10 DT C7 :methyl -30:sc= -0.118 (180deg=-0.774) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot -58:sc= 0.194 USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.277 (180deg=-0.277) USER MOD Single : B 24 DC O3' : rot 180:sc= 0 USER MOD Single : B 25 CCI O2D : rot 157:sc= -0.295 USER MOD Single : B 25 CCI O3A : rot -85:sc= 1.28 USER MOD Single : B 25 CCI O3B : rot 147:sc= 1.33 USER MOD Single : B 27 CCI O2D : rot 133:sc= 0.937 USER MOD Single : B 27 CCI O3A : rot -35:sc= 0.0898 USER MOD Single : B 27 CCI O3B : rot 64:sc= 1.29 USER MOD Single : B 27 CCI O4D : rot 93:sc= -0.684 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -15.339 13.023 2.482 1.00 0.00 O ATOM 2 C5' DG A 1 -16.636 12.472 2.432 1.00 0.00 C ATOM 3 C4' DG A 1 -16.584 11.043 1.882 1.00 0.00 C ATOM 4 O4' DG A 1 -16.469 11.017 0.470 1.00 0.00 O ATOM 5 C3' DG A 1 -15.407 10.211 2.395 1.00 0.00 C ATOM 6 O3' DG A 1 -14.901 10.538 3.673 1.00 0.00 O ATOM 7 C2' DG A 1 -14.433 10.225 1.224 1.00 0.00 C ATOM 8 C1' DG A 1 -15.517 10.017 0.169 1.00 0.00 C ATOM 9 N9 DG A 1 -15.167 9.924 -1.257 1.00 0.00 N ATOM 10 C8 DG A 1 -14.122 10.439 -1.971 1.00 0.00 C ATOM 11 N7 DG A 1 -14.184 10.196 -3.254 1.00 0.00 N ATOM 12 C5 DG A 1 -15.321 9.397 -3.387 1.00 0.00 C ATOM 13 C6 DG A 1 -15.907 8.756 -4.522 1.00 0.00 C ATOM 14 O6 DG A 1 -15.656 8.920 -5.713 1.00 0.00 O ATOM 15 N1 DG A 1 -16.898 7.845 -4.172 1.00 0.00 N ATOM 16 C2 DG A 1 -17.359 7.661 -2.893 1.00 0.00 C ATOM 17 N2 DG A 1 -18.325 6.776 -2.677 1.00 0.00 N ATOM 18 N3 DG A 1 -16.898 8.336 -1.842 1.00 0.00 N ATOM 19 C4 DG A 1 -15.872 9.167 -2.155 1.00 0.00 C ATOM 0 H5' DG A 1 -17.277 13.089 1.802 1.00 0.00 H new ATOM 0 H5'' DG A 1 -17.077 12.470 3.429 1.00 0.00 H new ATOM 0 H4' DG A 1 -17.525 10.616 2.230 1.00 0.00 H new ATOM 0 H3' DG A 1 -15.703 9.194 2.654 1.00 0.00 H new ATOM 0 H2' DG A 1 -13.887 11.162 1.116 1.00 0.00 H new ATOM 0 H2'' DG A 1 -13.692 9.426 1.258 1.00 0.00 H new ATOM 0 HO5' DG A 1 -15.385 13.937 2.834 1.00 0.00 H new ATOM 0 H1' DG A 1 -15.877 8.992 0.255 1.00 0.00 H new ATOM 0 H8 DG A 1 -13.317 10.997 -1.516 1.00 0.00 H new ATOM 0 H1 DG A 1 -17.308 7.277 -4.914 1.00 0.00 H new ATOM 0 H21 DG A 1 -18.679 6.628 -1.732 1.00 0.00 H new ATOM 0 H22 DG A 1 -18.713 6.245 -3.456 1.00 0.00 H new ATOM 32 P DC A 2 -14.099 9.429 4.557 1.00 0.00 P ATOM 33 OP1 DC A 2 -14.370 9.706 5.985 1.00 0.00 O ATOM 34 OP2 DC A 2 -12.707 9.393 4.067 1.00 0.00 O ATOM 35 O5' DC A 2 -14.782 8.002 4.183 1.00 0.00 O ATOM 36 C5' DC A 2 -16.127 7.687 4.519 1.00 0.00 C ATOM 37 C4' DC A 2 -16.656 6.546 3.627 1.00 0.00 C ATOM 38 O4' DC A 2 -16.409 6.824 2.254 1.00 0.00 O ATOM 39 C3' DC A 2 -16.036 5.181 3.952 1.00 0.00 C ATOM 40 O3' DC A 2 -17.062 4.252 4.266 1.00 0.00 O ATOM 41 C2' DC A 2 -15.313 4.814 2.659 1.00 0.00 C ATOM 42 C1' DC A 2 -15.990 5.650 1.578 1.00 0.00 C ATOM 43 N1 DC A 2 -15.041 6.021 0.489 1.00 0.00 N ATOM 44 C2 DC A 2 -15.247 5.587 -0.823 1.00 0.00 C ATOM 45 O2 DC A 2 -16.103 4.750 -1.101 1.00 0.00 O ATOM 46 N3 DC A 2 -14.466 6.088 -1.828 1.00 0.00 N ATOM 47 C4 DC A 2 -13.487 6.954 -1.539 1.00 0.00 C ATOM 48 N4 DC A 2 -12.798 7.520 -2.522 1.00 0.00 N ATOM 49 C5 DC A 2 -13.205 7.355 -0.200 1.00 0.00 C ATOM 50 C6 DC A 2 -13.998 6.856 0.772 1.00 0.00 C ATOM 0 H5' DC A 2 -16.754 8.570 4.399 1.00 0.00 H new ATOM 0 H5'' DC A 2 -16.187 7.394 5.567 1.00 0.00 H new ATOM 0 H4' DC A 2 -17.726 6.493 3.830 1.00 0.00 H new ATOM 0 H3' DC A 2 -15.366 5.186 4.812 1.00 0.00 H new ATOM 0 H2' DC A 2 -14.249 5.040 2.724 1.00 0.00 H new ATOM 0 H2'' DC A 2 -15.400 3.748 2.447 1.00 0.00 H new ATOM 0 H1' DC A 2 -16.805 5.101 1.105 1.00 0.00 H new ATOM 0 H41 DC A 2 -12.051 8.180 -2.307 1.00 0.00 H new ATOM 0 H42 DC A 2 -13.015 7.294 -3.493 1.00 0.00 H new ATOM 0 H5 DC A 2 -12.392 8.029 0.027 1.00 0.00 H new ATOM 0 H6 DC A 2 -13.803 7.124 1.800 1.00 0.00 H new ATOM 62 P DA A 3 -16.751 2.805 4.922 1.00 0.00 P ATOM 63 OP1 DA A 3 -18.005 2.288 5.509 1.00 0.00 O ATOM 64 OP2 DA A 3 -15.538 2.921 5.762 1.00 0.00 O ATOM 65 O5' DA A 3 -16.387 1.886 3.648 1.00 0.00 O ATOM 66 C5' DA A 3 -17.394 1.378 2.793 1.00 0.00 C ATOM 67 C4' DA A 3 -16.779 0.571 1.646 1.00 0.00 C ATOM 68 O4' DA A 3 -16.107 1.444 0.753 1.00 0.00 O ATOM 69 C3' DA A 3 -15.764 -0.471 2.146 1.00 0.00 C ATOM 70 O3' DA A 3 -16.059 -1.728 1.558 1.00 0.00 O ATOM 71 C2' DA A 3 -14.447 0.143 1.676 1.00 0.00 C ATOM 72 C1' DA A 3 -14.870 0.859 0.390 1.00 0.00 C ATOM 73 N9 DA A 3 -13.915 1.915 -0.012 1.00 0.00 N ATOM 74 C8 DA A 3 -13.367 2.884 0.789 1.00 0.00 C ATOM 75 N7 DA A 3 -12.624 3.750 0.167 1.00 0.00 N ATOM 76 C5 DA A 3 -12.675 3.309 -1.148 1.00 0.00 C ATOM 77 C6 DA A 3 -12.055 3.781 -2.310 1.00 0.00 C ATOM 78 N6 DA A 3 -11.263 4.840 -2.228 1.00 0.00 N ATOM 79 N1 DA A 3 -12.232 3.137 -3.480 1.00 0.00 N ATOM 80 C2 DA A 3 -12.999 2.047 -3.459 1.00 0.00 C ATOM 81 N3 DA A 3 -13.631 1.483 -2.430 1.00 0.00 N ATOM 82 C4 DA A 3 -13.435 2.181 -1.280 1.00 0.00 C ATOM 0 H5' DA A 3 -17.983 2.201 2.389 1.00 0.00 H new ATOM 0 H5'' DA A 3 -18.076 0.747 3.362 1.00 0.00 H new ATOM 0 H4' DA A 3 -17.598 0.051 1.149 1.00 0.00 H new ATOM 0 H3' DA A 3 -15.758 -0.669 3.218 1.00 0.00 H new ATOM 0 H2' DA A 3 -14.034 0.834 2.411 1.00 0.00 H new ATOM 0 H2'' DA A 3 -13.687 -0.616 1.489 1.00 0.00 H new ATOM 0 H1' DA A 3 -14.919 0.179 -0.460 1.00 0.00 H new ATOM 0 H8 DA A 3 -13.540 2.924 1.854 1.00 0.00 H new ATOM 0 H61 DA A 3 -10.802 5.198 -3.065 1.00 0.00 H new ATOM 0 H62 DA A 3 -11.114 5.297 -1.328 1.00 0.00 H new ATOM 0 H2 DA A 3 -13.126 1.551 -4.410 1.00 0.00 H new ATOM 94 P DC A 4 -15.170 -3.043 1.835 1.00 0.00 P ATOM 95 OP1 DC A 4 -16.031 -4.247 1.723 1.00 0.00 O ATOM 96 OP2 DC A 4 -14.354 -2.834 3.050 1.00 0.00 O ATOM 97 O5' DC A 4 -14.200 -3.019 0.560 1.00 0.00 O ATOM 98 C5' DC A 4 -14.730 -3.213 -0.737 1.00 0.00 C ATOM 99 C4' DC A 4 -13.618 -3.211 -1.777 1.00 0.00 C ATOM 100 O4' DC A 4 -13.022 -1.935 -1.838 1.00 0.00 O ATOM 101 C3' DC A 4 -12.524 -4.239 -1.454 1.00 0.00 C ATOM 102 O3' DC A 4 -12.331 -5.050 -2.591 1.00 0.00 O ATOM 103 C2' DC A 4 -11.327 -3.351 -1.135 1.00 0.00 C ATOM 104 C1' DC A 4 -11.625 -2.098 -1.964 1.00 0.00 C ATOM 105 N1 DC A 4 -10.989 -0.862 -1.442 1.00 0.00 N ATOM 106 C2 DC A 4 -10.291 -0.010 -2.300 1.00 0.00 C ATOM 107 O2 DC A 4 -10.067 -0.315 -3.469 1.00 0.00 O ATOM 108 N3 DC A 4 -9.833 1.186 -1.829 1.00 0.00 N ATOM 109 C4 DC A 4 -10.056 1.528 -0.555 1.00 0.00 C ATOM 110 N4 DC A 4 -9.638 2.707 -0.126 1.00 0.00 N ATOM 111 C5 DC A 4 -10.817 0.705 0.330 1.00 0.00 C ATOM 112 C6 DC A 4 -11.259 -0.473 -0.158 1.00 0.00 C ATOM 0 H5' DC A 4 -15.448 -2.425 -0.964 1.00 0.00 H new ATOM 0 H5'' DC A 4 -15.271 -4.159 -0.777 1.00 0.00 H new ATOM 0 H4' DC A 4 -14.073 -3.474 -2.732 1.00 0.00 H new ATOM 0 H3' DC A 4 -12.737 -4.926 -0.635 1.00 0.00 H new ATOM 0 H2' DC A 4 -11.258 -3.128 -0.070 1.00 0.00 H new ATOM 0 H2'' DC A 4 -10.385 -3.817 -1.425 1.00 0.00 H new ATOM 0 H1' DC A 4 -11.247 -2.232 -2.977 1.00 0.00 H new ATOM 0 H41 DC A 4 -9.800 2.984 0.842 1.00 0.00 H new ATOM 0 H42 DC A 4 -9.154 3.339 -0.763 1.00 0.00 H new ATOM 0 H5 DC A 4 -11.029 1.011 1.344 1.00 0.00 H new ATOM 0 H6 DC A 4 -11.839 -1.124 0.479 1.00 0.00 H new ATOM 124 P DC A 5 -11.286 -6.271 -2.641 1.00 0.00 P ATOM 125 OP1 DC A 5 -11.892 -7.347 -3.457 1.00 0.00 O ATOM 126 OP2 DC A 5 -10.828 -6.558 -1.262 1.00 0.00 O ATOM 127 O5' DC A 5 -10.077 -5.605 -3.463 1.00 0.00 O ATOM 128 C5' DC A 5 -10.263 -5.218 -4.812 1.00 0.00 C ATOM 129 C4' DC A 5 -9.041 -4.461 -5.333 1.00 0.00 C ATOM 130 O4' DC A 5 -8.877 -3.258 -4.608 1.00 0.00 O ATOM 131 C3' DC A 5 -7.736 -5.262 -5.245 1.00 0.00 C ATOM 132 O3' DC A 5 -7.196 -5.386 -6.548 1.00 0.00 O ATOM 133 C2' DC A 5 -6.884 -4.400 -4.313 1.00 0.00 C ATOM 134 C1' DC A 5 -7.497 -3.004 -4.439 1.00 0.00 C ATOM 135 N1 DC A 5 -7.335 -2.197 -3.202 1.00 0.00 N ATOM 136 C2 DC A 5 -6.729 -0.941 -3.252 1.00 0.00 C ATOM 137 O2 DC A 5 -6.186 -0.520 -4.269 1.00 0.00 O ATOM 138 N3 DC A 5 -6.711 -0.169 -2.126 1.00 0.00 N ATOM 139 C4 DC A 5 -7.275 -0.611 -0.995 1.00 0.00 C ATOM 140 N4 DC A 5 -7.257 0.158 0.085 1.00 0.00 N ATOM 141 C5 DC A 5 -7.885 -1.900 -0.911 1.00 0.00 C ATOM 142 C6 DC A 5 -7.886 -2.647 -2.036 1.00 0.00 C ATOM 0 H5' DC A 5 -11.149 -4.589 -4.896 1.00 0.00 H new ATOM 0 H5'' DC A 5 -10.439 -6.100 -5.427 1.00 0.00 H new ATOM 0 H4' DC A 5 -9.235 -4.268 -6.388 1.00 0.00 H new ATOM 0 H3' DC A 5 -7.826 -6.281 -4.869 1.00 0.00 H new ATOM 0 H2' DC A 5 -6.924 -4.763 -3.286 1.00 0.00 H new ATOM 0 H2'' DC A 5 -5.836 -4.404 -4.612 1.00 0.00 H new ATOM 0 H1' DC A 5 -7.023 -2.446 -5.247 1.00 0.00 H new ATOM 0 H41 DC A 5 -7.684 -0.170 0.951 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.816 1.077 0.049 1.00 0.00 H new ATOM 0 H5 DC A 5 -8.324 -2.260 0.008 1.00 0.00 H new ATOM 0 H6 DC A 5 -8.336 -3.629 -2.013 1.00 0.00 H new ATOM 154 P DT A 6 -5.878 -6.261 -6.866 1.00 0.00 P ATOM 155 OP1 DT A 6 -5.874 -6.592 -8.308 1.00 0.00 O ATOM 156 OP2 DT A 6 -5.772 -7.339 -5.856 1.00 0.00 O ATOM 157 O5' DT A 6 -4.707 -5.192 -6.589 1.00 0.00 O ATOM 158 C5' DT A 6 -4.555 -4.056 -7.415 1.00 0.00 C ATOM 159 C4' DT A 6 -3.567 -3.074 -6.787 1.00 0.00 C ATOM 160 O4' DT A 6 -4.064 -2.539 -5.572 1.00 0.00 O ATOM 161 C3' DT A 6 -2.188 -3.685 -6.503 1.00 0.00 C ATOM 162 O3' DT A 6 -1.232 -3.081 -7.356 1.00 0.00 O ATOM 163 C2' DT A 6 -1.983 -3.350 -5.027 1.00 0.00 C ATOM 164 C1' DT A 6 -2.952 -2.196 -4.774 1.00 0.00 C ATOM 165 N1 DT A 6 -3.358 -2.071 -3.346 1.00 0.00 N ATOM 166 C2 DT A 6 -3.138 -0.865 -2.680 1.00 0.00 C ATOM 167 O2 DT A 6 -2.557 0.093 -3.180 1.00 0.00 O ATOM 168 N3 DT A 6 -3.587 -0.800 -1.378 1.00 0.00 N ATOM 169 C4 DT A 6 -4.249 -1.791 -0.687 1.00 0.00 C ATOM 170 C5 DT A 6 -4.414 -3.026 -1.429 1.00 0.00 C ATOM 171 C6 DT A 6 -3.980 -3.120 -2.712 1.00 0.00 C ATOM 172 O4 DT A 6 -4.661 -1.577 0.451 1.00 0.00 O ATOM 185 C7 DT A 6 -5.055 -4.223 -0.752 1.00 0.00 C ATOM 0 H5' DT A 6 -5.520 -3.570 -7.558 1.00 0.00 H new ATOM 0 H5'' DT A 6 -4.201 -4.359 -8.400 1.00 0.00 H new ATOM 0 H4' DT A 6 -3.450 -2.289 -7.534 1.00 0.00 H new ATOM 0 H3' DT A 6 -2.096 -4.755 -6.687 1.00 0.00 H new ATOM 0 H2' DT A 6 -2.205 -4.205 -4.389 1.00 0.00 H new ATOM 0 H2'' DT A 6 -0.953 -3.059 -4.823 1.00 0.00 H new ATOM 0 H1' DT A 6 -2.503 -1.232 -5.014 1.00 0.00 H new ATOM 0 H3 DT A 6 -3.411 0.070 -0.875 1.00 0.00 H new ATOM 0 H71 DT A 6 -5.575 -4.826 -1.496 1.00 0.00 H new ATOM 0 H72 DT A 6 -4.284 -4.825 -0.271 1.00 0.00 H new ATOM 0 H73 DT A 6 -5.767 -3.879 -0.002 1.00 0.00 H new ATOM 0 H6 DT A 6 -4.128 -4.045 -3.250 1.00 0.00 H new ATOM 186 P DT A 7 0.307 -3.555 -7.416 1.00 0.00 P ATOM 187 OP1 DT A 7 0.837 -3.233 -8.759 1.00 0.00 O ATOM 188 OP2 DT A 7 0.406 -4.933 -6.888 1.00 0.00 O ATOM 189 O5' DT A 7 0.994 -2.555 -6.360 1.00 0.00 O ATOM 190 C5' DT A 7 1.132 -1.177 -6.649 1.00 0.00 C ATOM 191 C4' DT A 7 1.703 -0.451 -5.430 1.00 0.00 C ATOM 192 O4' DT A 7 0.766 -0.522 -4.370 1.00 0.00 O ATOM 193 C3' DT A 7 3.021 -1.066 -4.937 1.00 0.00 C ATOM 194 O3' DT A 7 4.044 -0.082 -4.906 1.00 0.00 O ATOM 195 C2' DT A 7 2.646 -1.560 -3.545 1.00 0.00 C ATOM 196 C1' DT A 7 1.489 -0.637 -3.168 1.00 0.00 C ATOM 197 N1 DT A 7 0.627 -1.181 -2.085 1.00 0.00 N ATOM 198 C2 DT A 7 0.345 -0.373 -0.984 1.00 0.00 C ATOM 199 O2 DT A 7 0.792 0.762 -0.836 1.00 0.00 O ATOM 200 N3 DT A 7 -0.468 -0.926 -0.018 1.00 0.00 N ATOM 201 C4 DT A 7 -1.019 -2.186 -0.033 1.00 0.00 C ATOM 202 C5 DT A 7 -0.662 -2.980 -1.194 1.00 0.00 C ATOM 203 C6 DT A 7 0.126 -2.457 -2.164 1.00 0.00 C ATOM 204 O4 DT A 7 -1.758 -2.542 0.879 1.00 0.00 O ATOM 217 C7 DT A 7 -1.105 -4.429 -1.288 1.00 0.00 C ATOM 0 H5' DT A 7 0.164 -0.753 -6.917 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.789 -1.039 -7.508 1.00 0.00 H new ATOM 0 H4' DT A 7 1.899 0.578 -5.733 1.00 0.00 H new ATOM 0 H3' DT A 7 3.417 -1.860 -5.571 1.00 0.00 H new ATOM 0 H2' DT A 7 2.344 -2.607 -3.554 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.478 -1.474 -2.846 1.00 0.00 H new ATOM 0 H1' DT A 7 1.848 0.312 -2.770 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.683 -0.341 0.790 1.00 0.00 H new ATOM 0 H71 DT A 7 -1.241 -4.701 -2.335 1.00 0.00 H new ATOM 0 H72 DT A 7 -0.345 -5.071 -0.842 1.00 0.00 H new ATOM 0 H73 DT A 7 -2.047 -4.557 -0.754 1.00 0.00 H new ATOM 0 H6 DT A 7 0.367 -3.062 -3.025 1.00 0.00 H new ATOM 218 P DC A 8 5.565 -0.443 -4.508 1.00 0.00 P ATOM 219 OP1 DC A 8 6.431 0.398 -5.368 1.00 0.00 O ATOM 220 OP2 DC A 8 5.718 -1.912 -4.546 1.00 0.00 O ATOM 221 O5' DC A 8 5.702 0.050 -2.980 1.00 0.00 O ATOM 222 C5' DC A 8 5.799 1.425 -2.657 1.00 0.00 C ATOM 223 C4' DC A 8 5.890 1.620 -1.135 1.00 0.00 C ATOM 224 O4' DC A 8 4.715 1.107 -0.529 1.00 0.00 O ATOM 225 C3' DC A 8 7.098 0.899 -0.514 1.00 0.00 C ATOM 226 O3' DC A 8 7.810 1.785 0.333 1.00 0.00 O ATOM 227 C2' DC A 8 6.440 -0.231 0.265 1.00 0.00 C ATOM 228 C1' DC A 8 5.081 0.371 0.621 1.00 0.00 C ATOM 229 N1 DC A 8 4.058 -0.674 0.889 1.00 0.00 N ATOM 230 C2 DC A 8 3.336 -0.659 2.080 1.00 0.00 C ATOM 231 O2 DC A 8 3.548 0.177 2.956 1.00 0.00 O ATOM 232 N3 DC A 8 2.381 -1.610 2.287 1.00 0.00 N ATOM 233 C4 DC A 8 2.139 -2.541 1.355 1.00 0.00 C ATOM 234 N4 DC A 8 1.232 -3.476 1.588 1.00 0.00 N ATOM 235 C5 DC A 8 2.856 -2.575 0.121 1.00 0.00 C ATOM 236 C6 DC A 8 3.797 -1.623 -0.059 1.00 0.00 C ATOM 0 H5' DC A 8 4.931 1.957 -3.046 1.00 0.00 H new ATOM 0 H5'' DC A 8 6.678 1.855 -3.137 1.00 0.00 H new ATOM 0 H4' DC A 8 6.004 2.689 -0.957 1.00 0.00 H new ATOM 0 H3' DC A 8 7.831 0.539 -1.236 1.00 0.00 H new ATOM 0 H2' DC A 8 6.340 -1.135 -0.335 1.00 0.00 H new ATOM 0 H2'' DC A 8 7.012 -0.500 1.153 1.00 0.00 H new ATOM 0 H1' DC A 8 5.142 0.974 1.527 1.00 0.00 H new ATOM 0 H41 DC A 8 1.042 -4.189 0.884 1.00 0.00 H new ATOM 0 H42 DC A 8 0.723 -3.484 2.472 1.00 0.00 H new ATOM 0 H5 DC A 8 2.656 -3.324 -0.631 1.00 0.00 H new ATOM 0 H6 DC A 8 4.360 -1.611 -0.980 1.00 0.00 H new ATOM 248 P DC A 9 9.173 1.350 1.089 1.00 0.00 P ATOM 249 OP1 DC A 9 10.058 2.534 1.149 1.00 0.00 O ATOM 250 OP2 DC A 9 9.668 0.090 0.492 1.00 0.00 O ATOM 251 O5' DC A 9 8.650 1.028 2.580 1.00 0.00 O ATOM 252 C5' DC A 9 8.269 2.083 3.439 1.00 0.00 C ATOM 253 C4' DC A 9 7.712 1.574 4.769 1.00 0.00 C ATOM 254 O4' DC A 9 6.583 0.753 4.536 1.00 0.00 O ATOM 255 C3' DC A 9 8.713 0.791 5.627 1.00 0.00 C ATOM 256 O3' DC A 9 8.753 1.417 6.901 1.00 0.00 O ATOM 257 C2' DC A 9 8.107 -0.608 5.659 1.00 0.00 C ATOM 258 C1' DC A 9 6.621 -0.336 5.436 1.00 0.00 C ATOM 259 N1 DC A 9 5.930 -1.489 4.808 1.00 0.00 N ATOM 260 C2 DC A 9 4.826 -2.067 5.428 1.00 0.00 C ATOM 261 O2 DC A 9 4.429 -1.681 6.525 1.00 0.00 O ATOM 262 N3 DC A 9 4.181 -3.101 4.812 1.00 0.00 N ATOM 263 C4 DC A 9 4.615 -3.547 3.627 1.00 0.00 C ATOM 264 N4 DC A 9 3.957 -4.538 3.039 1.00 0.00 N ATOM 265 C5 DC A 9 5.728 -2.950 2.951 1.00 0.00 C ATOM 266 C6 DC A 9 6.350 -1.930 3.585 1.00 0.00 C ATOM 0 H5' DC A 9 7.518 2.698 2.944 1.00 0.00 H new ATOM 0 H5'' DC A 9 9.130 2.723 3.629 1.00 0.00 H new ATOM 0 H4' DC A 9 7.452 2.471 5.331 1.00 0.00 H new ATOM 0 H3' DC A 9 9.741 0.757 5.266 1.00 0.00 H new ATOM 0 H2' DC A 9 8.523 -1.247 4.880 1.00 0.00 H new ATOM 0 H2'' DC A 9 8.289 -1.106 6.611 1.00 0.00 H new ATOM 0 H1' DC A 9 6.122 -0.144 6.386 1.00 0.00 H new ATOM 0 H41 DC A 9 4.271 -4.893 2.136 1.00 0.00 H new ATOM 0 H42 DC A 9 3.138 -4.945 3.490 1.00 0.00 H new ATOM 0 H5 DC A 9 6.055 -3.298 1.982 1.00 0.00 H new ATOM 0 H6 DC A 9 7.197 -1.454 3.114 1.00 0.00 H new ATOM 278 P DT A 10 9.657 0.886 8.133 1.00 0.00 P ATOM 279 OP1 DT A 10 10.218 2.058 8.841 1.00 0.00 O ATOM 280 OP2 DT A 10 10.557 -0.179 7.639 1.00 0.00 O ATOM 281 O5' DT A 10 8.543 0.210 9.079 1.00 0.00 O ATOM 282 C5' DT A 10 7.539 1.003 9.692 1.00 0.00 C ATOM 283 C4' DT A 10 6.508 0.121 10.403 1.00 0.00 C ATOM 284 O4' DT A 10 5.996 -0.822 9.475 1.00 0.00 O ATOM 285 C3' DT A 10 7.109 -0.658 11.583 1.00 0.00 C ATOM 286 O3' DT A 10 6.239 -0.548 12.697 1.00 0.00 O ATOM 287 C2' DT A 10 7.168 -2.076 11.029 1.00 0.00 C ATOM 288 C1' DT A 10 5.955 -2.085 10.106 1.00 0.00 C ATOM 289 N1 DT A 10 6.030 -3.155 9.077 1.00 0.00 N ATOM 290 C2 DT A 10 4.973 -4.052 8.949 1.00 0.00 C ATOM 291 O2 DT A 10 4.038 -4.107 9.745 1.00 0.00 O ATOM 292 N3 DT A 10 5.004 -4.889 7.850 1.00 0.00 N ATOM 293 C4 DT A 10 6.016 -4.956 6.915 1.00 0.00 C ATOM 294 C5 DT A 10 7.129 -4.059 7.164 1.00 0.00 C ATOM 295 C6 DT A 10 7.093 -3.199 8.211 1.00 0.00 C ATOM 296 O4 DT A 10 5.915 -5.699 5.942 1.00 0.00 O ATOM 309 C7 DT A 10 8.333 -4.099 6.242 1.00 0.00 C ATOM 0 H5' DT A 10 7.043 1.615 8.939 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.996 1.686 10.408 1.00 0.00 H new ATOM 0 H4' DT A 10 5.731 0.780 10.790 1.00 0.00 H new ATOM 0 H3' DT A 10 8.081 -0.310 11.931 1.00 0.00 H new ATOM 0 H2' DT A 10 8.096 -2.269 10.491 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.093 -2.828 11.814 1.00 0.00 H new ATOM 0 H1' DT A 10 5.038 -2.274 10.665 1.00 0.00 H new ATOM 0 H3 DT A 10 4.208 -5.513 7.718 1.00 0.00 H new ATOM 0 H71 DT A 10 8.453 -5.107 5.844 1.00 0.00 H new ATOM 0 H72 DT A 10 8.185 -3.399 5.419 1.00 0.00 H new ATOM 0 H73 DT A 10 9.227 -3.820 6.799 1.00 0.00 H new ATOM 0 H6 DT A 10 7.925 -2.529 8.368 1.00 0.00 H new ATOM 310 P DG A 11 6.590 -1.200 14.132 1.00 0.00 P ATOM 311 OP1 DG A 11 6.015 -0.343 15.190 1.00 0.00 O ATOM 312 OP2 DG A 11 8.032 -1.526 14.157 1.00 0.00 O ATOM 313 O5' DG A 11 5.771 -2.587 14.098 1.00 0.00 O ATOM 314 C5' DG A 11 4.359 -2.598 14.190 1.00 0.00 C ATOM 315 C4' DG A 11 3.808 -4.030 14.169 1.00 0.00 C ATOM 316 O4' DG A 11 4.033 -4.618 12.896 1.00 0.00 O ATOM 317 C3' DG A 11 4.483 -4.919 15.223 1.00 0.00 C ATOM 318 O3' DG A 11 3.492 -5.658 15.916 1.00 0.00 O ATOM 319 C2' DG A 11 5.370 -5.799 14.346 1.00 0.00 C ATOM 320 C1' DG A 11 4.528 -5.928 13.079 1.00 0.00 C ATOM 321 N9 DG A 11 5.328 -6.328 11.897 1.00 0.00 N ATOM 322 C8 DG A 11 6.496 -5.765 11.464 1.00 0.00 C ATOM 323 N7 DG A 11 6.913 -6.194 10.307 1.00 0.00 N ATOM 324 C5 DG A 11 5.961 -7.147 9.956 1.00 0.00 C ATOM 325 C6 DG A 11 5.883 -7.981 8.800 1.00 0.00 C ATOM 326 O6 DG A 11 6.621 -7.982 7.818 1.00 0.00 O ATOM 327 N1 DG A 11 4.827 -8.875 8.849 1.00 0.00 N ATOM 328 C2 DG A 11 3.940 -8.959 9.892 1.00 0.00 C ATOM 329 N2 DG A 11 2.976 -9.870 9.805 1.00 0.00 N ATOM 330 N3 DG A 11 3.979 -8.163 10.969 1.00 0.00 N ATOM 331 C4 DG A 11 5.010 -7.272 10.942 1.00 0.00 C ATOM 0 H5' DG A 11 3.934 -2.031 13.362 1.00 0.00 H new ATOM 0 H5'' DG A 11 4.049 -2.101 15.109 1.00 0.00 H new ATOM 0 H4' DG A 11 2.742 -3.963 14.387 1.00 0.00 H new ATOM 0 H3' DG A 11 5.044 -4.398 15.999 1.00 0.00 H new ATOM 0 H2' DG A 11 6.337 -5.337 14.149 1.00 0.00 H new ATOM 0 H2'' DG A 11 5.568 -6.767 14.806 1.00 0.00 H new ATOM 0 H1' DG A 11 3.761 -6.696 13.180 1.00 0.00 H new ATOM 0 H8 DG A 11 7.031 -5.022 12.037 1.00 0.00 H new ATOM 0 H1 DG A 11 4.701 -9.510 8.061 1.00 0.00 H new ATOM 0 H21 DG A 11 2.295 -9.966 10.559 1.00 0.00 H new ATOM 0 H22 DG A 11 2.917 -10.473 8.985 1.00 0.00 H new ATOM 343 P DC A 12 3.842 -6.591 17.187 1.00 0.00 P ATOM 344 OP1 DC A 12 2.768 -6.434 18.193 1.00 0.00 O ATOM 345 OP2 DC A 12 5.251 -6.362 17.570 1.00 0.00 O ATOM 346 O5' DC A 12 3.729 -8.067 16.559 1.00 0.00 O ATOM 347 C5' DC A 12 2.465 -8.616 16.229 1.00 0.00 C ATOM 348 C4' DC A 12 2.653 -9.917 15.448 1.00 0.00 C ATOM 349 O4' DC A 12 3.432 -9.647 14.303 1.00 0.00 O ATOM 350 C3' DC A 12 3.378 -11.006 16.248 1.00 0.00 C ATOM 351 O3' DC A 12 2.533 -12.115 16.464 1.00 0.00 O ATOM 352 C2' DC A 12 4.555 -11.407 15.367 1.00 0.00 C ATOM 353 C1' DC A 12 4.207 -10.788 14.012 1.00 0.00 C ATOM 354 N1 DC A 12 5.421 -10.345 13.281 1.00 0.00 N ATOM 355 C2 DC A 12 5.716 -10.899 12.043 1.00 0.00 C ATOM 356 O2 DC A 12 5.063 -11.837 11.599 1.00 0.00 O ATOM 357 N3 DC A 12 6.749 -10.393 11.308 1.00 0.00 N ATOM 358 C4 DC A 12 7.486 -9.393 11.799 1.00 0.00 C ATOM 359 N4 DC A 12 8.436 -8.883 11.028 1.00 0.00 N ATOM 360 C5 DC A 12 7.227 -8.820 13.086 1.00 0.00 C ATOM 361 C6 DC A 12 6.187 -9.329 13.785 1.00 0.00 C ATOM 0 H5' DC A 12 1.893 -7.904 15.634 1.00 0.00 H new ATOM 0 H5'' DC A 12 1.892 -8.806 17.137 1.00 0.00 H new ATOM 0 H4' DC A 12 1.656 -10.284 15.204 1.00 0.00 H new ATOM 0 H3' DC A 12 3.689 -10.654 17.232 1.00 0.00 H new ATOM 0 H2' DC A 12 5.498 -11.021 15.755 1.00 0.00 H new ATOM 0 H2'' DC A 12 4.657 -12.490 15.300 1.00 0.00 H new ATOM 0 HO3' DC A 12 3.015 -12.799 16.974 1.00 0.00 H new ATOM 0 H1' DC A 12 3.692 -11.519 13.389 1.00 0.00 H new ATOM 0 H41 DC A 12 9.017 -8.119 11.372 1.00 0.00 H new ATOM 0 H42 DC A 12 8.586 -9.255 10.090 1.00 0.00 H new ATOM 0 H5 DC A 12 7.834 -8.018 13.480 1.00 0.00 H new ATOM 0 H6 DC A 12 5.956 -8.926 14.760 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 7.483 -15.574 1.134 1.00 0.00 O ATOM 376 C5' DG B 13 6.896 -16.235 2.233 1.00 0.00 C ATOM 377 C4' DG B 13 6.152 -15.226 3.111 1.00 0.00 C ATOM 378 O4' DG B 13 7.020 -14.477 3.934 1.00 0.00 O ATOM 379 C3' DG B 13 5.299 -14.210 2.345 1.00 0.00 C ATOM 380 O3' DG B 13 4.915 -14.557 1.030 1.00 0.00 O ATOM 381 C2' DG B 13 6.068 -12.910 2.524 1.00 0.00 C ATOM 382 C1' DG B 13 6.461 -13.182 3.974 1.00 0.00 C ATOM 383 N9 DG B 13 7.233 -12.191 4.748 1.00 0.00 N ATOM 384 C8 DG B 13 8.098 -11.206 4.358 1.00 0.00 C ATOM 385 N7 DG B 13 8.602 -10.519 5.349 1.00 0.00 N ATOM 386 C5 DG B 13 7.977 -11.050 6.477 1.00 0.00 C ATOM 387 C6 DG B 13 8.037 -10.681 7.856 1.00 0.00 C ATOM 388 O6 DG B 13 8.818 -9.903 8.402 1.00 0.00 O ATOM 389 N1 DG B 13 7.070 -11.313 8.629 1.00 0.00 N ATOM 390 C2 DG B 13 6.200 -12.260 8.147 1.00 0.00 C ATOM 391 N2 DG B 13 5.298 -12.785 8.966 1.00 0.00 N ATOM 392 N3 DG B 13 6.196 -12.681 6.883 1.00 0.00 N ATOM 393 C4 DG B 13 7.092 -12.027 6.102 1.00 0.00 C ATOM 0 H5' DG B 13 7.665 -16.741 2.817 1.00 0.00 H new ATOM 0 H5'' DG B 13 6.206 -17.002 1.881 1.00 0.00 H new ATOM 0 H4' DG B 13 5.498 -15.869 3.700 1.00 0.00 H new ATOM 0 H3' DG B 13 4.287 -14.141 2.745 1.00 0.00 H new ATOM 0 H2' DG B 13 6.920 -12.810 1.851 1.00 0.00 H new ATOM 0 H2'' DG B 13 5.455 -12.018 2.397 1.00 0.00 H new ATOM 0 HO5' DG B 13 6.788 -15.109 0.623 1.00 0.00 H new ATOM 0 H1' DG B 13 5.565 -13.090 4.588 1.00 0.00 H new ATOM 0 H8 DG B 13 8.343 -11.013 3.324 1.00 0.00 H new ATOM 0 H1 DG B 13 7.002 -11.058 9.614 1.00 0.00 H new ATOM 0 H21 DG B 13 4.645 -13.489 8.622 1.00 0.00 H new ATOM 0 H22 DG B 13 5.257 -12.484 9.940 1.00 0.00 H new ATOM 406 P DC B 14 3.582 -13.911 0.359 1.00 0.00 P ATOM 407 OP1 DC B 14 3.055 -14.876 -0.630 1.00 0.00 O ATOM 408 OP2 DC B 14 3.917 -12.533 -0.063 1.00 0.00 O ATOM 409 O5' DC B 14 2.513 -13.801 1.579 1.00 0.00 O ATOM 410 C5' DC B 14 2.003 -14.945 2.249 1.00 0.00 C ATOM 411 C4' DC B 14 1.482 -14.574 3.651 1.00 0.00 C ATOM 412 O4' DC B 14 2.464 -13.840 4.369 1.00 0.00 O ATOM 413 C3' DC B 14 0.192 -13.746 3.631 1.00 0.00 C ATOM 414 O3' DC B 14 -0.793 -14.404 4.415 1.00 0.00 O ATOM 415 C2' DC B 14 0.625 -12.417 4.241 1.00 0.00 C ATOM 416 C1' DC B 14 1.867 -12.754 5.059 1.00 0.00 C ATOM 417 N1 DC B 14 2.838 -11.622 5.114 1.00 0.00 N ATOM 418 C2 DC B 14 3.229 -11.074 6.337 1.00 0.00 C ATOM 419 O2 DC B 14 2.679 -11.390 7.391 1.00 0.00 O ATOM 420 N3 DC B 14 4.248 -10.163 6.371 1.00 0.00 N ATOM 421 C4 DC B 14 4.840 -9.783 5.234 1.00 0.00 C ATOM 422 N4 DC B 14 5.908 -8.996 5.277 1.00 0.00 N ATOM 423 C5 DC B 14 4.415 -10.276 3.965 1.00 0.00 C ATOM 424 C6 DC B 14 3.420 -11.189 3.956 1.00 0.00 C ATOM 0 H5' DC B 14 2.785 -15.700 2.335 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.197 -15.386 1.662 1.00 0.00 H new ATOM 0 H4' DC B 14 1.263 -15.525 4.137 1.00 0.00 H new ATOM 0 H3' DC B 14 -0.250 -13.611 2.644 1.00 0.00 H new ATOM 0 H2' DC B 14 0.847 -11.680 3.469 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.160 -11.995 4.868 1.00 0.00 H new ATOM 0 H1' DC B 14 1.598 -12.978 6.091 1.00 0.00 H new ATOM 0 H41 DC B 14 6.362 -8.704 4.411 1.00 0.00 H new ATOM 0 H42 DC B 14 6.275 -8.683 6.176 1.00 0.00 H new ATOM 0 H5 DC B 14 4.871 -9.933 3.048 1.00 0.00 H new ATOM 0 H6 DC B 14 3.076 -11.586 3.012 1.00 0.00 H new ATOM 436 P DA B 15 -2.336 -13.922 4.467 1.00 0.00 P ATOM 437 OP1 DA B 15 -3.157 -15.060 4.934 1.00 0.00 O ATOM 438 OP2 DA B 15 -2.662 -13.258 3.187 1.00 0.00 O ATOM 439 O5' DA B 15 -2.330 -12.805 5.627 1.00 0.00 O ATOM 440 C5' DA B 15 -2.188 -13.164 6.988 1.00 0.00 C ATOM 441 C4' DA B 15 -2.144 -11.915 7.876 1.00 0.00 C ATOM 442 O4' DA B 15 -0.958 -11.183 7.619 1.00 0.00 O ATOM 443 C3' DA B 15 -3.338 -10.981 7.635 1.00 0.00 C ATOM 444 O3' DA B 15 -3.922 -10.675 8.890 1.00 0.00 O ATOM 445 C2' DA B 15 -2.678 -9.779 6.965 1.00 0.00 C ATOM 446 C1' DA B 15 -1.275 -9.806 7.562 1.00 0.00 C ATOM 447 N9 DA B 15 -0.261 -9.135 6.722 1.00 0.00 N ATOM 448 C8 DA B 15 -0.008 -9.341 5.391 1.00 0.00 C ATOM 449 N7 DA B 15 1.089 -8.792 4.948 1.00 0.00 N ATOM 450 C5 DA B 15 1.563 -8.117 6.064 1.00 0.00 C ATOM 451 C6 DA B 15 2.669 -7.281 6.261 1.00 0.00 C ATOM 452 N6 DA B 15 3.491 -6.982 5.259 1.00 0.00 N ATOM 453 N1 DA B 15 2.847 -6.690 7.452 1.00 0.00 N ATOM 454 C2 DA B 15 1.962 -6.939 8.417 1.00 0.00 C ATOM 455 N3 DA B 15 0.891 -7.727 8.373 1.00 0.00 N ATOM 456 C4 DA B 15 0.740 -8.292 7.146 1.00 0.00 C ATOM 0 H5' DA B 15 -1.275 -13.744 7.123 1.00 0.00 H new ATOM 0 H5'' DA B 15 -3.019 -13.802 7.290 1.00 0.00 H new ATOM 0 H4' DA B 15 -2.178 -12.264 8.908 1.00 0.00 H new ATOM 0 H3' DA B 15 -4.147 -11.381 7.024 1.00 0.00 H new ATOM 0 H2' DA B 15 -2.660 -9.877 5.880 1.00 0.00 H new ATOM 0 H2'' DA B 15 -3.199 -8.849 7.193 1.00 0.00 H new ATOM 0 H1' DA B 15 -1.265 -9.284 8.519 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.667 -9.915 4.757 1.00 0.00 H new ATOM 0 H61 DA B 15 4.292 -6.371 5.421 1.00 0.00 H new ATOM 0 H62 DA B 15 3.321 -7.363 4.328 1.00 0.00 H new ATOM 0 H2 DA B 15 2.137 -6.436 9.356 1.00 0.00 H new ATOM 468 P DG B 16 -5.247 -9.762 9.036 1.00 0.00 P ATOM 469 OP1 DG B 16 -5.960 -10.164 10.269 1.00 0.00 O ATOM 470 OP2 DG B 16 -5.963 -9.751 7.741 1.00 0.00 O ATOM 471 O5' DG B 16 -4.612 -8.305 9.273 1.00 0.00 O ATOM 472 C5' DG B 16 -3.964 -7.994 10.492 1.00 0.00 C ATOM 473 C4' DG B 16 -3.280 -6.631 10.396 1.00 0.00 C ATOM 474 O4' DG B 16 -2.278 -6.676 9.398 1.00 0.00 O ATOM 475 C3' DG B 16 -4.247 -5.490 10.035 1.00 0.00 C ATOM 476 O3' DG B 16 -4.129 -4.452 10.996 1.00 0.00 O ATOM 477 C2' DG B 16 -3.746 -5.062 8.662 1.00 0.00 C ATOM 478 C1' DG B 16 -2.270 -5.424 8.747 1.00 0.00 C ATOM 479 N9 DG B 16 -1.647 -5.529 7.413 1.00 0.00 N ATOM 480 C8 DG B 16 -2.068 -6.256 6.334 1.00 0.00 C ATOM 481 N7 DG B 16 -1.272 -6.198 5.302 1.00 0.00 N ATOM 482 C5 DG B 16 -0.248 -5.351 5.724 1.00 0.00 C ATOM 483 C6 DG B 16 0.936 -4.907 5.055 1.00 0.00 C ATOM 484 O6 DG B 16 1.333 -5.192 3.926 1.00 0.00 O ATOM 485 N1 DG B 16 1.713 -4.071 5.841 1.00 0.00 N ATOM 486 C2 DG B 16 1.430 -3.768 7.147 1.00 0.00 C ATOM 487 N2 DG B 16 2.312 -3.059 7.827 1.00 0.00 N ATOM 488 N3 DG B 16 0.345 -4.189 7.792 1.00 0.00 N ATOM 489 C4 DG B 16 -0.462 -4.959 7.024 1.00 0.00 C ATOM 0 H5' DG B 16 -3.227 -8.762 10.727 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.689 -7.988 11.306 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.866 -6.426 11.383 1.00 0.00 H new ATOM 0 H3' DG B 16 -5.302 -5.764 10.025 1.00 0.00 H new ATOM 0 H2' DG B 16 -4.253 -5.594 7.857 1.00 0.00 H new ATOM 0 H2'' DG B 16 -3.897 -3.997 8.485 1.00 0.00 H new ATOM 0 H1' DG B 16 -1.688 -4.666 9.271 1.00 0.00 H new ATOM 0 H8 DG B 16 -2.983 -6.830 6.336 1.00 0.00 H new ATOM 0 H1 DG B 16 2.546 -3.656 5.422 1.00 0.00 H new ATOM 0 H21 DG B 16 2.130 -2.817 8.801 1.00 0.00 H new ATOM 0 H22 DG B 16 3.175 -2.753 7.378 1.00 0.00 H new ATOM 501 P DG B 17 -5.106 -3.164 11.014 1.00 0.00 P ATOM 502 OP1 DG B 17 -5.595 -2.975 12.399 1.00 0.00 O ATOM 503 OP2 DG B 17 -6.076 -3.291 9.904 1.00 0.00 O ATOM 504 O5' DG B 17 -4.099 -1.953 10.661 1.00 0.00 O ATOM 505 C5' DG B 17 -3.146 -1.503 11.607 1.00 0.00 C ATOM 506 C4' DG B 17 -2.301 -0.353 11.042 1.00 0.00 C ATOM 507 O4' DG B 17 -1.586 -0.811 9.909 1.00 0.00 O ATOM 508 C3' DG B 17 -3.128 0.867 10.619 1.00 0.00 C ATOM 509 O3' DG B 17 -2.434 2.051 10.995 1.00 0.00 O ATOM 510 C2' DG B 17 -3.192 0.682 9.112 1.00 0.00 C ATOM 511 C1' DG B 17 -1.827 0.068 8.830 1.00 0.00 C ATOM 512 N9 DG B 17 -1.811 -0.707 7.575 1.00 0.00 N ATOM 513 C8 DG B 17 -2.670 -1.707 7.203 1.00 0.00 C ATOM 514 N7 DG B 17 -2.326 -2.339 6.115 1.00 0.00 N ATOM 515 C5 DG B 17 -1.150 -1.696 5.730 1.00 0.00 C ATOM 516 C6 DG B 17 -0.300 -1.922 4.608 1.00 0.00 C ATOM 517 O6 DG B 17 -0.430 -2.756 3.718 1.00 0.00 O ATOM 518 N1 DG B 17 0.777 -1.052 4.564 1.00 0.00 N ATOM 519 C2 DG B 17 0.985 -0.033 5.461 1.00 0.00 C ATOM 520 N2 DG B 17 1.992 0.803 5.243 1.00 0.00 N ATOM 521 N3 DG B 17 0.185 0.200 6.504 1.00 0.00 N ATOM 522 C4 DG B 17 -0.850 -0.673 6.595 1.00 0.00 C ATOM 0 H5' DG B 17 -2.495 -2.329 11.892 1.00 0.00 H new ATOM 0 H5'' DG B 17 -3.656 -1.172 12.512 1.00 0.00 H new ATOM 0 H4' DG B 17 -1.636 -0.038 11.846 1.00 0.00 H new ATOM 0 H3' DG B 17 -4.116 0.953 11.072 1.00 0.00 H new ATOM 0 H2' DG B 17 -4.008 0.025 8.813 1.00 0.00 H new ATOM 0 H2'' DG B 17 -3.334 1.627 8.587 1.00 0.00 H new ATOM 0 H1' DG B 17 -1.076 0.851 8.727 1.00 0.00 H new ATOM 0 H8 DG B 17 -3.559 -1.952 7.765 1.00 0.00 H new ATOM 0 H1 DG B 17 1.460 -1.176 3.817 1.00 0.00 H new ATOM 0 H21 DG B 17 2.169 1.569 5.893 1.00 0.00 H new ATOM 0 H22 DG B 17 2.589 0.680 4.425 1.00 0.00 H new ATOM 534 P DA B 18 -3.005 3.530 10.668 1.00 0.00 P ATOM 535 OP1 DA B 18 -2.557 4.451 11.734 1.00 0.00 O ATOM 536 OP2 DA B 18 -4.447 3.419 10.354 1.00 0.00 O ATOM 537 O5' DA B 18 -2.232 3.921 9.308 1.00 0.00 O ATOM 538 C5' DA B 18 -0.838 4.181 9.297 1.00 0.00 C ATOM 539 C4' DA B 18 -0.406 4.798 7.965 1.00 0.00 C ATOM 540 O4' DA B 18 -0.451 3.789 6.979 1.00 0.00 O ATOM 541 C3' DA B 18 -1.301 5.961 7.515 1.00 0.00 C ATOM 542 O3' DA B 18 -0.472 6.998 7.022 1.00 0.00 O ATOM 543 C2' DA B 18 -2.151 5.307 6.428 1.00 0.00 C ATOM 544 C1' DA B 18 -1.190 4.254 5.873 1.00 0.00 C ATOM 545 N9 DA B 18 -1.867 3.079 5.288 1.00 0.00 N ATOM 546 C8 DA B 18 -2.929 2.374 5.800 1.00 0.00 C ATOM 547 N7 DA B 18 -3.201 1.263 5.172 1.00 0.00 N ATOM 548 C5 DA B 18 -2.244 1.234 4.165 1.00 0.00 C ATOM 549 C6 DA B 18 -1.966 0.313 3.146 1.00 0.00 C ATOM 550 N6 DA B 18 -2.651 -0.820 3.003 1.00 0.00 N ATOM 551 N1 DA B 18 -0.934 0.548 2.325 1.00 0.00 N ATOM 552 C2 DA B 18 -0.209 1.644 2.503 1.00 0.00 C ATOM 553 N3 DA B 18 -0.360 2.598 3.415 1.00 0.00 N ATOM 554 C4 DA B 18 -1.418 2.328 4.229 1.00 0.00 C ATOM 0 H5' DA B 18 -0.290 3.254 9.467 1.00 0.00 H new ATOM 0 H5'' DA B 18 -0.584 4.856 10.114 1.00 0.00 H new ATOM 0 H4' DA B 18 0.598 5.201 8.101 1.00 0.00 H new ATOM 0 H3' DA B 18 -1.918 6.419 8.288 1.00 0.00 H new ATOM 0 H2' DA B 18 -3.059 4.860 6.832 1.00 0.00 H new ATOM 0 H2'' DA B 18 -2.460 6.021 5.665 1.00 0.00 H new ATOM 0 H1' DA B 18 -0.598 4.714 5.082 1.00 0.00 H new ATOM 0 H8 DA B 18 -3.495 2.713 6.655 1.00 0.00 H new ATOM 0 H61 DA B 18 -2.418 -1.465 2.248 1.00 0.00 H new ATOM 0 H62 DA B 18 -3.409 -1.043 3.649 1.00 0.00 H new ATOM 0 H2 DA B 18 0.613 1.779 1.816 1.00 0.00 H new ATOM 566 P DA B 19 -1.053 8.415 6.523 1.00 0.00 P ATOM 567 OP1 DA B 19 0.003 9.436 6.697 1.00 0.00 O ATOM 568 OP2 DA B 19 -2.390 8.621 7.122 1.00 0.00 O ATOM 569 O5' DA B 19 -1.230 8.142 4.947 1.00 0.00 O ATOM 570 C5' DA B 19 -0.106 8.105 4.090 1.00 0.00 C ATOM 571 C4' DA B 19 -0.524 7.706 2.676 1.00 0.00 C ATOM 572 O4' DA B 19 -0.991 6.369 2.663 1.00 0.00 O ATOM 573 C3' DA B 19 -1.626 8.602 2.090 1.00 0.00 C ATOM 574 O3' DA B 19 -1.131 9.193 0.901 1.00 0.00 O ATOM 575 C2' DA B 19 -2.752 7.607 1.834 1.00 0.00 C ATOM 576 C1' DA B 19 -2.005 6.287 1.687 1.00 0.00 C ATOM 577 N9 DA B 19 -2.866 5.114 1.950 1.00 0.00 N ATOM 578 C8 DA B 19 -3.690 4.898 3.024 1.00 0.00 C ATOM 579 N7 DA B 19 -4.275 3.732 3.029 1.00 0.00 N ATOM 580 C5 DA B 19 -3.815 3.141 1.856 1.00 0.00 C ATOM 581 C6 DA B 19 -4.039 1.889 1.260 1.00 0.00 C ATOM 582 N6 DA B 19 -4.828 0.970 1.812 1.00 0.00 N ATOM 583 N1 DA B 19 -3.376 1.571 0.136 1.00 0.00 N ATOM 584 C2 DA B 19 -2.550 2.467 -0.389 1.00 0.00 C ATOM 585 N3 DA B 19 -2.270 3.681 0.060 1.00 0.00 N ATOM 586 C4 DA B 19 -2.946 3.969 1.199 1.00 0.00 C ATOM 0 H5' DA B 19 0.627 7.395 4.473 1.00 0.00 H new ATOM 0 H5'' DA B 19 0.376 9.082 4.071 1.00 0.00 H new ATOM 0 H4' DA B 19 0.367 7.821 2.059 1.00 0.00 H new ATOM 0 H3' DA B 19 -1.956 9.427 2.721 1.00 0.00 H new ATOM 0 H2' DA B 19 -3.464 7.580 2.659 1.00 0.00 H new ATOM 0 H2'' DA B 19 -3.316 7.856 0.935 1.00 0.00 H new ATOM 0 H1' DA B 19 -1.634 6.149 0.671 1.00 0.00 H new ATOM 0 H8 DA B 19 -3.842 5.632 3.801 1.00 0.00 H new ATOM 0 H61 DA B 19 -4.966 0.072 1.349 1.00 0.00 H new ATOM 0 H62 DA B 19 -5.294 1.164 2.698 1.00 0.00 H new ATOM 0 H2 DA B 19 -2.043 2.169 -1.295 1.00 0.00 H new ATOM 598 P DG B 20 -1.953 10.301 0.063 1.00 0.00 P ATOM 599 OP1 DG B 20 -1.059 11.454 -0.190 1.00 0.00 O ATOM 600 OP2 DG B 20 -3.266 10.515 0.707 1.00 0.00 O ATOM 601 O5' DG B 20 -2.200 9.533 -1.329 1.00 0.00 O ATOM 602 C5' DG B 20 -1.129 9.268 -2.221 1.00 0.00 C ATOM 603 C4' DG B 20 -1.632 8.442 -3.408 1.00 0.00 C ATOM 604 O4' DG B 20 -2.142 7.214 -2.920 1.00 0.00 O ATOM 605 C3' DG B 20 -2.751 9.161 -4.172 1.00 0.00 C ATOM 606 O3' DG B 20 -2.522 9.053 -5.567 1.00 0.00 O ATOM 607 C2' DG B 20 -3.980 8.381 -3.723 1.00 0.00 C ATOM 608 C1' DG B 20 -3.407 6.983 -3.497 1.00 0.00 C ATOM 609 N9 DG B 20 -4.218 6.188 -2.549 1.00 0.00 N ATOM 610 C8 DG B 20 -4.624 6.556 -1.293 1.00 0.00 C ATOM 611 N7 DG B 20 -5.222 5.618 -0.614 1.00 0.00 N ATOM 612 C5 DG B 20 -5.242 4.547 -1.501 1.00 0.00 C ATOM 613 C6 DG B 20 -5.796 3.244 -1.345 1.00 0.00 C ATOM 614 O6 DG B 20 -6.387 2.793 -0.368 1.00 0.00 O ATOM 615 N1 DG B 20 -5.625 2.446 -2.466 1.00 0.00 N ATOM 616 C2 DG B 20 -4.994 2.857 -3.615 1.00 0.00 C ATOM 617 N2 DG B 20 -4.937 2.008 -4.634 1.00 0.00 N ATOM 618 N3 DG B 20 -4.485 4.083 -3.783 1.00 0.00 N ATOM 619 C4 DG B 20 -4.636 4.882 -2.690 1.00 0.00 C ATOM 0 H5' DG B 20 -0.336 8.729 -1.702 1.00 0.00 H new ATOM 0 H5'' DG B 20 -0.699 10.205 -2.575 1.00 0.00 H new ATOM 0 H4' DG B 20 -0.796 8.287 -4.091 1.00 0.00 H new ATOM 0 H3' DG B 20 -2.836 10.230 -3.979 1.00 0.00 H new ATOM 0 H2' DG B 20 -4.416 8.795 -2.814 1.00 0.00 H new ATOM 0 H2'' DG B 20 -4.763 8.383 -4.481 1.00 0.00 H new ATOM 0 H1' DG B 20 -3.380 6.422 -4.431 1.00 0.00 H new ATOM 0 H8 DG B 20 -4.461 7.547 -0.896 1.00 0.00 H new ATOM 0 H1 DG B 20 -5.991 1.494 -2.436 1.00 0.00 H new ATOM 0 H21 DG B 20 -4.476 2.282 -5.501 1.00 0.00 H new ATOM 0 H22 DG B 20 -5.355 1.081 -4.550 1.00 0.00 H new ATOM 631 P DG B 21 -3.421 9.842 -6.653 1.00 0.00 P ATOM 632 OP1 DG B 21 -2.518 10.386 -7.692 1.00 0.00 O ATOM 633 OP2 DG B 21 -4.347 10.747 -5.936 1.00 0.00 O ATOM 634 O5' DG B 21 -4.287 8.655 -7.310 1.00 0.00 O ATOM 635 C5' DG B 21 -3.685 7.730 -8.195 1.00 0.00 C ATOM 636 C4' DG B 21 -4.696 6.677 -8.650 1.00 0.00 C ATOM 637 O4' DG B 21 -5.130 5.920 -7.532 1.00 0.00 O ATOM 638 C3' DG B 21 -5.925 7.272 -9.345 1.00 0.00 C ATOM 639 O3' DG B 21 -6.109 6.631 -10.595 1.00 0.00 O ATOM 640 C2' DG B 21 -7.036 6.968 -8.345 1.00 0.00 C ATOM 641 C1' DG B 21 -6.530 5.741 -7.583 1.00 0.00 C ATOM 642 N9 DG B 21 -7.033 5.707 -6.187 1.00 0.00 N ATOM 643 C8 DG B 21 -6.944 6.716 -5.266 1.00 0.00 C ATOM 644 N7 DG B 21 -7.359 6.408 -4.076 1.00 0.00 N ATOM 645 C5 DG B 21 -7.769 5.090 -4.209 1.00 0.00 C ATOM 646 C6 DG B 21 -8.310 4.212 -3.231 1.00 0.00 C ATOM 647 O6 DG B 21 -8.473 4.428 -2.035 1.00 0.00 O ATOM 648 N1 DG B 21 -8.653 2.976 -3.745 1.00 0.00 N ATOM 649 C2 DG B 21 -8.402 2.590 -5.038 1.00 0.00 C ATOM 650 N2 DG B 21 -8.690 1.333 -5.350 1.00 0.00 N ATOM 651 N3 DG B 21 -7.854 3.392 -5.966 1.00 0.00 N ATOM 652 C4 DG B 21 -7.571 4.638 -5.493 1.00 0.00 C ATOM 0 H5' DG B 21 -2.843 7.243 -7.702 1.00 0.00 H new ATOM 0 H5'' DG B 21 -3.286 8.256 -9.062 1.00 0.00 H new ATOM 0 H4' DG B 21 -4.181 6.051 -9.379 1.00 0.00 H new ATOM 0 H3' DG B 21 -5.868 8.335 -9.577 1.00 0.00 H new ATOM 0 H2' DG B 21 -7.209 7.810 -7.674 1.00 0.00 H new ATOM 0 H2'' DG B 21 -7.980 6.762 -8.849 1.00 0.00 H new ATOM 0 H1' DG B 21 -6.857 4.822 -8.069 1.00 0.00 H new ATOM 0 H8 DG B 21 -6.558 7.694 -5.511 1.00 0.00 H new ATOM 0 H1 DG B 21 -9.120 2.312 -3.128 1.00 0.00 H new ATOM 0 H21 DG B 21 -8.524 0.992 -6.297 1.00 0.00 H new ATOM 0 H22 DG B 21 -9.078 0.708 -4.643 1.00 0.00 H new ATOM 664 P DT B 22 -7.289 7.067 -11.617 1.00 0.00 P ATOM 665 OP1 DT B 22 -6.776 6.973 -13.000 1.00 0.00 O ATOM 666 OP2 DT B 22 -7.905 8.324 -11.138 1.00 0.00 O ATOM 667 O5' DT B 22 -8.340 5.873 -11.389 1.00 0.00 O ATOM 668 C5' DT B 22 -7.966 4.543 -11.686 1.00 0.00 C ATOM 669 C4' DT B 22 -9.032 3.538 -11.313 1.00 0.00 C ATOM 670 O4' DT B 22 -9.228 3.620 -9.915 1.00 0.00 O ATOM 671 C3' DT B 22 -10.370 3.814 -12.021 1.00 0.00 C ATOM 672 O3' DT B 22 -10.915 2.607 -12.518 1.00 0.00 O ATOM 673 C2' DT B 22 -11.197 4.405 -10.882 1.00 0.00 C ATOM 674 C1' DT B 22 -10.611 3.683 -9.669 1.00 0.00 C ATOM 675 N1 DT B 22 -10.831 4.373 -8.369 1.00 0.00 N ATOM 676 C2 DT B 22 -11.306 3.636 -7.289 1.00 0.00 C ATOM 677 O2 DT B 22 -11.762 2.512 -7.418 1.00 0.00 O ATOM 678 N3 DT B 22 -11.278 4.228 -6.041 1.00 0.00 N ATOM 679 C4 DT B 22 -10.889 5.536 -5.816 1.00 0.00 C ATOM 680 C5 DT B 22 -10.504 6.285 -6.995 1.00 0.00 C ATOM 681 C6 DT B 22 -10.480 5.689 -8.210 1.00 0.00 C ATOM 682 O4 DT B 22 -10.858 5.988 -4.680 1.00 0.00 O ATOM 695 C7 DT B 22 -10.172 7.761 -6.861 1.00 0.00 C ATOM 0 H5' DT B 22 -7.045 4.302 -11.156 1.00 0.00 H new ATOM 0 H5'' DT B 22 -7.752 4.460 -12.751 1.00 0.00 H new ATOM 0 H4' DT B 22 -8.699 2.547 -11.622 1.00 0.00 H new ATOM 0 H3' DT B 22 -10.312 4.470 -12.890 1.00 0.00 H new ATOM 0 H2' DT B 22 -11.081 5.486 -10.810 1.00 0.00 H new ATOM 0 H2'' DT B 22 -12.262 4.205 -11.003 1.00 0.00 H new ATOM 0 H1' DT B 22 -11.102 2.715 -9.566 1.00 0.00 H new ATOM 0 H3 DT B 22 -11.561 3.667 -5.238 1.00 0.00 H new ATOM 0 H71 DT B 22 -9.438 8.039 -7.617 1.00 0.00 H new ATOM 0 H72 DT B 22 -11.077 8.352 -7.000 1.00 0.00 H new ATOM 0 H73 DT B 22 -9.762 7.953 -5.870 1.00 0.00 H new ATOM 0 H6 DT B 22 -10.178 6.263 -9.074 1.00 0.00 H new ATOM 696 P DG B 23 -12.316 2.531 -13.317 1.00 0.00 P ATOM 697 OP1 DG B 23 -12.265 1.354 -14.211 1.00 0.00 O ATOM 698 OP2 DG B 23 -12.619 3.869 -13.870 1.00 0.00 O ATOM 699 O5' DG B 23 -13.369 2.216 -12.136 1.00 0.00 O ATOM 700 C5' DG B 23 -13.372 0.956 -11.487 1.00 0.00 C ATOM 701 C4' DG B 23 -14.392 0.911 -10.349 1.00 0.00 C ATOM 702 O4' DG B 23 -14.012 1.834 -9.343 1.00 0.00 O ATOM 703 C3' DG B 23 -15.820 1.259 -10.790 1.00 0.00 C ATOM 704 O3' DG B 23 -16.695 0.266 -10.280 1.00 0.00 O ATOM 705 C2' DG B 23 -16.012 2.613 -10.116 1.00 0.00 C ATOM 706 C1' DG B 23 -15.182 2.446 -8.847 1.00 0.00 C ATOM 707 N9 DG B 23 -14.821 3.734 -8.219 1.00 0.00 N ATOM 708 C8 DG B 23 -14.234 4.810 -8.825 1.00 0.00 C ATOM 709 N7 DG B 23 -13.874 5.758 -8.009 1.00 0.00 N ATOM 710 C5 DG B 23 -14.290 5.292 -6.765 1.00 0.00 C ATOM 711 C6 DG B 23 -14.192 5.899 -5.478 1.00 0.00 C ATOM 712 O6 DG B 23 -13.615 6.941 -5.172 1.00 0.00 O ATOM 713 N1 DG B 23 -14.835 5.175 -4.491 1.00 0.00 N ATOM 714 C2 DG B 23 -15.445 3.966 -4.698 1.00 0.00 C ATOM 715 N2 DG B 23 -16.030 3.389 -3.652 1.00 0.00 N ATOM 716 N3 DG B 23 -15.496 3.352 -5.888 1.00 0.00 N ATOM 717 C4 DG B 23 -14.906 4.069 -6.885 1.00 0.00 C ATOM 0 H5' DG B 23 -12.377 0.747 -11.093 1.00 0.00 H new ATOM 0 H5'' DG B 23 -13.599 0.174 -12.211 1.00 0.00 H new ATOM 0 H4' DG B 23 -14.397 -0.116 -9.985 1.00 0.00 H new ATOM 0 H3' DG B 23 -16.005 1.297 -11.863 1.00 0.00 H new ATOM 0 H2' DG B 23 -15.652 3.434 -10.736 1.00 0.00 H new ATOM 0 H2'' DG B 23 -17.060 2.816 -9.896 1.00 0.00 H new ATOM 0 H1' DG B 23 -15.719 1.891 -8.078 1.00 0.00 H new ATOM 0 H8 DG B 23 -14.082 4.868 -9.893 1.00 0.00 H new ATOM 0 H1 DG B 23 -14.857 5.566 -3.549 1.00 0.00 H new ATOM 0 H21 DG B 23 -16.496 2.488 -3.761 1.00 0.00 H new ATOM 0 H22 DG B 23 -16.012 3.847 -2.741 1.00 0.00 H new ATOM 729 P DC B 24 -18.284 0.261 -10.582 1.00 0.00 P ATOM 730 OP1 DC B 24 -18.697 -1.130 -10.876 1.00 0.00 O ATOM 731 OP2 DC B 24 -18.592 1.352 -11.535 1.00 0.00 O ATOM 732 O5' DC B 24 -18.884 0.666 -9.143 1.00 0.00 O ATOM 733 C5' DC B 24 -18.792 -0.231 -8.051 1.00 0.00 C ATOM 734 C4' DC B 24 -19.307 0.421 -6.769 1.00 0.00 C ATOM 735 O4' DC B 24 -18.558 1.600 -6.540 1.00 0.00 O ATOM 736 C3' DC B 24 -20.790 0.812 -6.848 1.00 0.00 C ATOM 737 O3' DC B 24 -21.481 0.403 -5.685 1.00 0.00 O ATOM 738 C2' DC B 24 -20.759 2.331 -6.919 1.00 0.00 C ATOM 739 C1' DC B 24 -19.439 2.656 -6.218 1.00 0.00 C ATOM 740 N1 DC B 24 -18.837 3.936 -6.676 1.00 0.00 N ATOM 741 C2 DC B 24 -18.502 4.901 -5.733 1.00 0.00 C ATOM 742 O2 DC B 24 -18.833 4.779 -4.556 1.00 0.00 O ATOM 743 N3 DC B 24 -17.801 6.005 -6.124 1.00 0.00 N ATOM 744 C4 DC B 24 -17.471 6.167 -7.409 1.00 0.00 C ATOM 745 N4 DC B 24 -16.715 7.209 -7.736 1.00 0.00 N ATOM 746 C5 DC B 24 -17.841 5.214 -8.407 1.00 0.00 C ATOM 747 C6 DC B 24 -18.514 4.116 -7.991 1.00 0.00 C ATOM 0 H5' DC B 24 -17.756 -0.541 -7.916 1.00 0.00 H new ATOM 0 H5'' DC B 24 -19.369 -1.131 -8.264 1.00 0.00 H new ATOM 0 H4' DC B 24 -19.197 -0.307 -5.966 1.00 0.00 H new ATOM 0 H3' DC B 24 -21.298 0.348 -7.693 1.00 0.00 H new ATOM 0 H2' DC B 24 -20.774 2.692 -7.948 1.00 0.00 H new ATOM 0 H2'' DC B 24 -21.612 2.781 -6.411 1.00 0.00 H new ATOM 0 HO3' DC B 24 -22.423 0.663 -5.756 1.00 0.00 H new ATOM 0 H1' DC B 24 -19.617 2.763 -5.148 1.00 0.00 H new ATOM 0 H41 DC B 24 -16.447 7.359 -8.709 1.00 0.00 H new ATOM 0 H42 DC B 24 -16.403 7.859 -7.015 1.00 0.00 H new ATOM 0 H5 DC B 24 -17.594 5.363 -9.448 1.00 0.00 H new ATOM 0 H6 DC B 24 -18.802 3.367 -8.714 1.00 0.00 H new TER 760 DC B 24 HETATM 761 C1D CCI B 25 -4.884 2.215 -12.730 1.00 0.00 C HETATM 762 C2D CCI B 25 -4.732 3.150 -11.538 1.00 0.00 C HETATM 763 C3D CCI B 25 -3.291 3.053 -11.018 1.00 0.00 C HETATM 764 C4D CCI B 25 -2.326 3.446 -12.167 1.00 0.00 C HETATM 765 C5D CCI B 25 -2.659 2.576 -13.399 1.00 0.00 C HETATM 766 C6D CCI B 25 -1.875 2.969 -14.647 1.00 0.00 C HETATM 767 OCD CCI B 25 -4.560 0.879 -12.382 1.00 0.00 O HETATM 768 O2D CCI B 25 -4.965 4.479 -11.963 1.00 0.00 O HETATM 769 O3D CCI B 25 -3.143 3.887 -9.879 1.00 0.00 O HETATM 770 O4D CCI B 25 -0.945 3.206 -11.884 1.00 0.00 O HETATM 771 OD CCI B 25 -4.027 2.644 -13.767 1.00 0.00 O HETATM 772 C7D CCI B 25 -3.717 3.358 -8.694 1.00 0.00 C HETATM 773 C4C CCI B 25 -5.355 0.162 -11.427 1.00 0.00 C HETATM 774 C5C CCI B 25 -6.680 -0.125 -11.746 1.00 0.00 C HETATM 775 C6C CCI B 25 -7.599 -0.379 -10.713 1.00 0.00 C HETATM 776 C1C CCI B 25 -7.198 -0.316 -9.351 1.00 0.00 C HETATM 777 C2C CCI B 25 -5.806 -0.180 -9.066 1.00 0.00 C HETATM 778 I CCI B 25 -1.915 -0.607 -9.741 1.00 0.00 I HETATM 779 O5C CCI B 25 -7.111 -0.034 -13.133 1.00 0.00 O HETATM 780 C8C CCI B 25 -6.374 -0.615 -14.201 1.00 0.00 C HETATM 781 O6C CCI B 25 -8.920 -0.811 -11.103 1.00 0.00 O HETATM 782 C9C CCI B 25 -9.813 0.097 -11.704 1.00 0.00 C HETATM 783 C7C CCI B 25 -5.278 -0.012 -7.650 1.00 0.00 C HETATM 784 CBC CCI B 25 -8.148 -0.360 -8.298 1.00 0.00 C HETATM 785 OBC CCI B 25 -7.844 -0.659 -7.147 1.00 0.00 O HETATM 786 SBC CCI B 25 -9.887 0.058 -8.422 1.00 0.00 S HETATM 787 C1B CCI B 25 -13.152 -2.536 -6.484 1.00 0.00 C HETATM 788 C2B CCI B 25 -12.639 -1.314 -5.704 1.00 0.00 C HETATM 789 C3B CCI B 25 -11.959 -0.295 -6.616 1.00 0.00 C HETATM 790 C4B CCI B 25 -10.817 -1.048 -7.314 1.00 0.00 C HETATM 791 C5B CCI B 25 -11.385 -2.268 -8.054 1.00 0.00 C HETATM 792 C6B CCI B 25 -10.297 -3.049 -8.800 1.00 0.00 C HETATM 793 OAB CCI B 25 -13.746 -3.311 -5.399 1.00 0.00 O HETATM 794 O3B CCI B 25 -12.927 0.126 -7.548 1.00 0.00 O HETATM 795 OB CCI B 25 -11.999 -3.127 -7.103 1.00 0.00 O HETATM 796 C1A CCI B 25 -17.048 -5.461 -3.652 1.00 0.00 C HETATM 797 C2A CCI B 25 -15.914 -6.468 -3.901 1.00 0.00 C HETATM 798 C3A CCI B 25 -14.791 -5.827 -4.728 1.00 0.00 C HETATM 799 C4A CCI B 25 -15.279 -4.953 -5.896 1.00 0.00 C HETATM 800 C5A CCI B 25 -16.448 -4.058 -5.452 1.00 0.00 C HETATM 801 C6A CCI B 25 -17.087 -3.324 -6.636 1.00 0.00 C HETATM 802 ORA CCI B 25 -18.166 -6.118 -3.083 1.00 0.00 O HETATM 803 OEA CCI B 25 -15.293 -6.838 -2.670 1.00 0.00 O HETATM 804 O3A CCI B 25 -13.935 -6.842 -5.215 1.00 0.00 O HETATM 805 NAB CCI B 25 -14.189 -4.134 -6.403 1.00 0.00 N HETATM 806 OA CCI B 25 -17.451 -4.863 -4.870 1.00 0.00 O HETATM 807 CAN CCI B 25 -19.180 -5.206 -2.701 1.00 0.00 C HETATM 808 C1E CCI B 25 -15.588 -8.148 -2.205 1.00 0.00 C HETATM 809 C2E CCI B 25 -14.580 -8.521 -1.110 1.00 0.00 C HETATM 810 C3E CCI B 25 -14.783 -7.642 0.129 1.00 0.00 C HETATM 811 C4E CCI B 25 -16.236 -7.775 0.585 1.00 0.00 C HETATM 812 C5E CCI B 25 -17.155 -7.396 -0.581 1.00 0.00 C HETATM 813 O3E CCI B 25 -14.002 -8.053 1.239 1.00 0.00 O HETATM 814 C6E CCI B 25 -12.605 -7.899 1.056 1.00 0.00 C HETATM 815 N4E CCI B 25 -16.449 -6.955 1.797 1.00 0.00 N HETATM 816 C7E CCI B 25 -17.735 -7.161 2.503 1.00 0.00 C HETATM 817 C8E CCI B 25 -17.784 -6.387 3.826 1.00 0.00 C HETATM 818 OE CCI B 25 -16.905 -8.249 -1.688 1.00 0.00 O HETATM 819 C3C CCI B 25 -4.889 -0.003 -10.121 1.00 0.00 C HETATM 0 HOD2 CCI B 25 -5.236 5.025 -11.196 1.00 0.00 H new HETATM 0 HOB3 CCI B 25 -12.769 1.064 -7.782 1.00 0.00 H new HETATM 0 HOA3 CCI B 25 -13.262 -7.057 -4.535 1.00 0.00 H new HETATM 0 HNE2 CCI B 25 -15.752 -6.287 2.127 1.00 0.00 H new HETATM 0 HAN3 CCI B 25 -18.783 -4.509 -1.963 1.00 0.00 H new HETATM 0 HAN2 CCI B 25 -19.520 -4.653 -3.576 1.00 0.00 H new HETATM 0 HAN1 CCI B 25 -20.018 -5.753 -2.270 1.00 0.00 H new HETATM 0 H9C3 CCI B 25 -10.000 0.928 -11.024 1.00 0.00 H new HETATM 0 H9C2 CCI B 25 -9.379 0.476 -12.629 1.00 0.00 H new HETATM 0 H9C1 CCI B 25 -10.753 -0.409 -11.925 1.00 0.00 H new HETATM 0 H8E3 CCI B 25 -16.977 -6.726 4.476 1.00 0.00 H new HETATM 0 H8E2 CCI B 25 -17.667 -5.321 3.629 1.00 0.00 H new HETATM 0 H8E1 CCI B 25 -18.742 -6.563 4.315 1.00 0.00 H new HETATM 0 H8C3 CCI B 25 -5.375 -0.180 -14.233 1.00 0.00 H new HETATM 0 H8C2 CCI B 25 -6.296 -1.691 -14.046 1.00 0.00 H new HETATM 0 H8C1 CCI B 25 -6.885 -0.420 -15.144 1.00 0.00 H new HETATM 0 H7E2 CCI B 25 -18.557 -6.841 1.863 1.00 0.00 H new HETATM 0 H7E1 CCI B 25 -17.878 -8.224 2.697 1.00 0.00 H new HETATM 0 H7D3 CCI B 25 -4.786 3.207 -8.844 1.00 0.00 H new HETATM 0 H7D2 CCI B 25 -3.246 2.404 -8.456 1.00 0.00 H new HETATM 0 H7D1 CCI B 25 -3.561 4.056 -7.871 1.00 0.00 H new HETATM 0 H7C3 CCI B 25 -4.484 -0.737 -7.469 1.00 0.00 H new HETATM 0 H7C2 CCI B 25 -4.884 0.997 -7.526 1.00 0.00 H new HETATM 0 H7C1 CCI B 25 -6.087 -0.175 -6.938 1.00 0.00 H new HETATM 0 H6E3 CCI B 25 -12.282 -8.493 0.201 1.00 0.00 H new HETATM 0 H6E2 CCI B 25 -12.375 -6.849 0.875 1.00 0.00 H new HETATM 0 H6E1 CCI B 25 -12.081 -8.236 1.951 1.00 0.00 H new HETATM 0 H6D3 CCI B 25 -2.099 4.004 -14.907 1.00 0.00 H new HETATM 0 H6D2 CCI B 25 -0.807 2.867 -14.453 1.00 0.00 H new HETATM 0 H6D1 CCI B 25 -2.158 2.318 -15.474 1.00 0.00 H new HETATM 0 H6B3 CCI B 25 -9.821 -2.399 -9.534 1.00 0.00 H new HETATM 0 H6B2 CCI B 25 -9.550 -3.402 -8.089 1.00 0.00 H new HETATM 0 H6B1 CCI B 25 -10.746 -3.903 -9.308 1.00 0.00 H new HETATM 0 H6A3 CCI B 25 -16.340 -2.695 -7.120 1.00 0.00 H new HETATM 0 H6A2 CCI B 25 -17.468 -4.052 -7.353 1.00 0.00 H new HETATM 0 H6A1 CCI B 25 -17.908 -2.703 -6.279 1.00 0.00 H new HETATM 0 H5E2 CCI B 25 -18.198 -7.478 -0.275 1.00 0.00 H new HETATM 0 H5E1 CCI B 25 -16.987 -6.357 -0.865 1.00 0.00 H new HETATM 0 H2E2 CCI B 25 -14.698 -9.571 -0.842 1.00 0.00 H new HETATM 0 H2E1 CCI B 25 -13.564 -8.400 -1.486 1.00 0.00 H new HETATM 0 H2B2 CCI B 25 -13.472 -0.838 -5.187 1.00 0.00 H new HETATM 0 H2B1 CCI B 25 -11.935 -1.642 -4.939 1.00 0.00 H new HETATM 0 HAB CCI B 25 -13.815 -4.166 -7.351 1.00 0.00 H new HETATM 0 H5D CCI B 25 -2.387 1.571 -13.075 1.00 0.00 H new HETATM 0 H5B CCI B 25 -12.104 -1.913 -8.792 1.00 0.00 H new HETATM 0 H5A CCI B 25 -16.050 -3.327 -4.748 1.00 0.00 H new HETATM 0 H4E CCI B 25 -16.475 -8.802 0.862 1.00 0.00 H new HETATM 0 H4D CCI B 25 -2.465 4.516 -12.320 1.00 0.00 H new HETATM 0 H4B CCI B 25 -10.108 -1.405 -6.567 1.00 0.00 H new HETATM 0 H4A CCI B 25 -15.628 -5.610 -6.693 1.00 0.00 H new HETATM 0 H3E CCI B 25 -14.499 -6.631 -0.161 1.00 0.00 H new HETATM 0 H3D CCI B 25 -3.052 2.036 -10.706 1.00 0.00 H new HETATM 0 H3B CCI B 25 -11.565 0.575 -6.090 1.00 0.00 H new HETATM 0 H3A CCI B 25 -14.263 -5.152 -4.055 1.00 0.00 H new HETATM 0 H2D CCI B 25 -5.440 2.875 -10.756 1.00 0.00 H new HETATM 0 H2A CCI B 25 -16.363 -7.321 -4.410 1.00 0.00 H new HETATM 0 H1E CCI B 25 -15.516 -8.832 -3.051 1.00 0.00 H new HETATM 0 H1D CCI B 25 -5.924 2.242 -13.057 1.00 0.00 H new HETATM 0 H1B CCI B 25 -13.870 -2.390 -7.291 1.00 0.00 H new HETATM 0 H1A CCI B 25 -16.678 -4.695 -2.970 1.00 0.00 H new HETATM 881 C1 NBU B 26 -0.384 3.936 -10.802 1.00 0.00 C HETATM 882 C2 NBU B 26 -0.205 2.987 -9.613 1.00 0.00 C HETATM 883 C3 NBU B 26 0.062 3.700 -8.288 1.00 0.00 C HETATM 884 C4 NBU B 26 0.093 2.638 -7.181 1.00 0.00 C HETATM 0 H43 NBU B 26 -0.866 2.121 -7.145 1.00 0.00 H new HETATM 0 H42 NBU B 26 0.885 1.919 -7.389 1.00 0.00 H new HETATM 0 H32 NBU B 26 1.009 4.238 -8.328 1.00 0.00 H new HETATM 0 H31 NBU B 26 -0.715 4.438 -8.088 1.00 0.00 H new HETATM 0 H22 NBU B 26 -1.101 2.375 -9.511 1.00 0.00 H new HETATM 0 H21 NBU B 26 0.622 2.309 -9.823 1.00 0.00 H new HETATM 0 H13 NBU B 26 -1.230 4.598 -10.615 1.00 0.00 H new HETATM 0 H12 NBU B 26 0.520 4.531 -10.932 1.00 0.00 H new HETATM 893 C1D CCI B 27 1.792 3.705 12.050 1.00 0.00 C HETATM 894 C2D CCI B 27 0.895 2.469 12.066 1.00 0.00 C HETATM 895 C3D CCI B 27 1.593 1.287 12.749 1.00 0.00 C HETATM 896 C4D CCI B 27 2.042 1.716 14.148 1.00 0.00 C HETATM 897 C5D CCI B 27 2.923 2.969 14.012 1.00 0.00 C HETATM 898 C6D CCI B 27 3.359 3.470 15.391 1.00 0.00 C HETATM 899 OCD CCI B 27 2.900 3.500 11.191 1.00 0.00 O HETATM 900 O2D CCI B 27 -0.316 2.767 12.725 1.00 0.00 O HETATM 901 O3D CCI B 27 0.662 0.210 12.741 1.00 0.00 O HETATM 902 O4D CCI B 27 2.814 0.702 14.754 1.00 0.00 O HETATM 903 OD CCI B 27 2.225 4.023 13.365 1.00 0.00 O HETATM 904 C7D CCI B 27 1.215 -1.084 12.926 1.00 0.00 C HETATM 905 C4C CCI B 27 2.870 3.818 9.774 1.00 0.00 C HETATM 906 C5C CCI B 27 3.046 5.154 9.386 1.00 0.00 C HETATM 907 C6C CCI B 27 3.545 5.465 8.108 1.00 0.00 C HETATM 908 C1C CCI B 27 4.008 4.442 7.241 1.00 0.00 C HETATM 909 C2C CCI B 27 3.840 3.094 7.655 1.00 0.00 C HETATM 910 I CCI B 27 2.351 -0.046 9.379 1.00 0.00 I HETATM 911 O5C CCI B 27 2.744 6.220 10.318 1.00 0.00 O HETATM 912 C8C CCI B 27 3.741 6.701 11.198 1.00 0.00 C HETATM 913 O6C CCI B 27 3.570 6.867 7.728 1.00 0.00 O HETATM 914 C9C CCI B 27 2.835 7.327 6.610 1.00 0.00 C HETATM 915 C7C CCI B 27 4.703 1.976 7.108 1.00 0.00 C HETATM 916 CBC CCI B 27 4.785 4.777 6.105 1.00 0.00 C HETATM 917 OBC CCI B 27 5.448 5.810 6.069 1.00 0.00 O HETATM 918 SBC CCI B 27 5.012 3.735 4.651 1.00 0.00 S HETATM 919 C1B CCI B 27 2.461 5.630 1.314 1.00 0.00 C HETATM 920 C2B CCI B 27 2.328 4.103 1.559 1.00 0.00 C HETATM 921 C3B CCI B 27 2.833 3.742 2.957 1.00 0.00 C HETATM 922 C4B CCI B 27 4.242 4.328 3.108 1.00 0.00 C HETATM 923 C5B CCI B 27 4.212 5.854 2.947 1.00 0.00 C HETATM 924 C6B CCI B 27 5.599 6.500 3.008 1.00 0.00 C HETATM 925 OAB CCI B 27 1.834 6.237 0.144 1.00 0.00 O HETATM 926 O3B CCI B 27 1.951 4.228 3.951 1.00 0.00 O HETATM 927 OB CCI B 27 3.726 6.197 1.661 1.00 0.00 O HETATM 928 C1A CCI B 27 1.967 4.042 -4.342 1.00 0.00 C HETATM 929 C2A CCI B 27 3.197 4.962 -4.258 1.00 0.00 C HETATM 930 C3A CCI B 27 3.603 5.034 -2.785 1.00 0.00 C HETATM 931 C4A CCI B 27 2.442 5.588 -1.955 1.00 0.00 C HETATM 932 C5A CCI B 27 1.215 4.681 -2.190 1.00 0.00 C HETATM 933 C6A CCI B 27 -0.045 5.161 -1.470 1.00 0.00 C HETATM 934 ORA CCI B 27 1.530 3.883 -5.679 1.00 0.00 O HETATM 935 OEA CCI B 27 4.345 4.485 -4.959 1.00 0.00 O HETATM 936 O3A CCI B 27 4.729 5.878 -2.665 1.00 0.00 O HETATM 937 NAB CCI B 27 2.816 5.596 -0.556 1.00 0.00 N HETATM 938 OA CCI B 27 0.924 4.617 -3.573 1.00 0.00 O HETATM 939 CAN CCI B 27 0.284 3.214 -5.775 1.00 0.00 C HETATM 940 C1E CCI B 27 4.513 5.019 -6.271 1.00 0.00 C HETATM 941 C2E CCI B 27 5.987 4.907 -6.672 1.00 0.00 C HETATM 942 C3E CCI B 27 6.383 3.432 -6.788 1.00 0.00 C HETATM 943 C4E CCI B 27 5.437 2.738 -7.769 1.00 0.00 C HETATM 944 C5E CCI B 27 3.991 2.954 -7.306 1.00 0.00 C HETATM 945 O3E CCI B 27 7.696 3.252 -7.296 1.00 0.00 O HETATM 946 C6E CCI B 27 8.722 3.671 -6.411 1.00 0.00 C HETATM 947 N4E CCI B 27 5.820 1.314 -7.874 1.00 0.00 N HETATM 948 C7E CCI B 27 4.958 0.455 -8.716 1.00 0.00 C HETATM 949 C8E CCI B 27 5.536 -0.957 -8.863 1.00 0.00 C HETATM 950 OE CCI B 27 3.722 4.343 -7.229 1.00 0.00 O HETATM 951 C3C CCI B 27 3.148 2.805 8.845 1.00 0.00 C HETATM 0 HOD4 CCI B 27 3.764 0.862 14.573 1.00 0.00 H new HETATM 0 HOD2 CCI B 27 -1.069 2.443 12.188 1.00 0.00 H new HETATM 0 HOB3 CCI B 27 1.080 3.788 3.859 1.00 0.00 H new HETATM 0 HOA3 CCI B 27 5.306 5.767 -3.449 1.00 0.00 H new HETATM 0 HNE2 CCI B 27 6.637 0.942 -7.390 1.00 0.00 H new HETATM 0 HAN3 CCI B 27 0.369 2.221 -5.333 1.00 0.00 H new HETATM 0 HAN2 CCI B 27 -0.477 3.784 -5.242 1.00 0.00 H new HETATM 0 H9C3 CCI B 27 3.178 6.813 5.712 1.00 0.00 H new HETATM 0 H9C2 CCI B 27 1.775 7.123 6.762 1.00 0.00 H new HETATM 0 H9C1 CCI B 27 2.984 8.400 6.493 1.00 0.00 H new HETATM 0 H8E3 CCI B 27 6.521 -0.901 -9.326 1.00 0.00 H new HETATM 0 H8E2 CCI B 27 5.624 -1.418 -7.879 1.00 0.00 H new HETATM 0 H8E1 CCI B 27 4.875 -1.558 -9.488 1.00 0.00 H new HETATM 0 H8C3 CCI B 27 4.087 5.887 11.836 1.00 0.00 H new HETATM 0 H8C2 CCI B 27 4.579 7.090 10.620 1.00 0.00 H new HETATM 0 H8C1 CCI B 27 3.327 7.497 11.817 1.00 0.00 H new HETATM 0 H7E2 CCI B 27 3.962 0.397 -8.277 1.00 0.00 H new HETATM 0 H7E1 CCI B 27 4.846 0.907 -9.702 1.00 0.00 H new HETATM 0 H7D3 CCI B 27 1.929 -1.292 12.129 1.00 0.00 H new HETATM 0 H7D2 CCI B 27 1.724 -1.128 13.889 1.00 0.00 H new HETATM 0 H7D1 CCI B 27 0.418 -1.827 12.902 1.00 0.00 H new HETATM 0 H7C3 CCI B 27 5.461 1.708 7.844 1.00 0.00 H new HETATM 0 H7C2 CCI B 27 4.081 1.107 6.895 1.00 0.00 H new HETATM 0 H7C1 CCI B 27 5.189 2.307 6.190 1.00 0.00 H new HETATM 0 H6E3 CCI B 27 8.605 4.733 -6.195 1.00 0.00 H new HETATM 0 H6E2 CCI B 27 8.657 3.103 -5.483 1.00 0.00 H new HETATM 0 H6E1 CCI B 27 9.694 3.500 -6.874 1.00 0.00 H new HETATM 0 H6D3 CCI B 27 2.478 3.719 15.983 1.00 0.00 H new HETATM 0 H6D2 CCI B 27 3.928 2.691 15.898 1.00 0.00 H new HETATM 0 H6D1 CCI B 27 3.982 4.357 15.276 1.00 0.00 H new HETATM 0 H6B3 CCI B 27 6.060 6.282 3.971 1.00 0.00 H new HETATM 0 H6B2 CCI B 27 6.222 6.099 2.209 1.00 0.00 H new HETATM 0 H6B1 CCI B 27 5.503 7.579 2.887 1.00 0.00 H new HETATM 0 H6A3 CCI B 27 0.138 5.190 -0.396 1.00 0.00 H new HETATM 0 H6A2 CCI B 27 -0.306 6.160 -1.820 1.00 0.00 H new HETATM 0 H6A1 CCI B 27 -0.867 4.477 -1.680 1.00 0.00 H new HETATM 0 H5E2 CCI B 27 3.300 2.477 -8.001 1.00 0.00 H new HETATM 0 H5E1 CCI B 27 3.836 2.488 -6.333 1.00 0.00 H new HETATM 0 H2E2 CCI B 27 6.154 5.414 -7.623 1.00 0.00 H new HETATM 0 H2E1 CCI B 27 6.614 5.404 -5.931 1.00 0.00 H new HETATM 0 H2B2 CCI B 27 1.286 3.800 1.452 1.00 0.00 H new HETATM 0 H2B1 CCI B 27 2.897 3.557 0.807 1.00 0.00 H new HETATM 0 HAB CCI B 27 3.666 5.193 -0.162 1.00 0.00 H new HETATM 0 H5D CCI B 27 3.791 2.685 13.417 1.00 0.00 H new HETATM 0 H5B CCI B 27 3.587 6.209 3.766 1.00 0.00 H new HETATM 0 H5A CCI B 27 1.483 3.705 -1.786 1.00 0.00 H new HETATM 0 H4E CCI B 27 5.512 3.161 -8.771 1.00 0.00 H new HETATM 0 H4D CCI B 27 1.161 1.912 14.759 1.00 0.00 H new HETATM 0 H4B CCI B 27 4.887 3.970 2.305 1.00 0.00 H new HETATM 0 H4A CCI B 27 2.202 6.610 -2.249 1.00 0.00 H new HETATM 0 H3E CCI B 27 6.331 3.016 -5.782 1.00 0.00 H new HETATM 0 H3D CCI B 27 2.497 0.960 12.236 1.00 0.00 H new HETATM 0 H3B CCI B 27 2.872 2.660 3.084 1.00 0.00 H new HETATM 0 H3A CCI B 27 3.850 4.038 -2.418 1.00 0.00 H new HETATM 0 H2D CCI B 27 0.685 2.184 11.035 1.00 0.00 H new HETATM 0 H2A CCI B 27 2.907 5.912 -4.706 1.00 0.00 H new HETATM 0 H1E CCI B 27 4.192 6.060 -6.249 1.00 0.00 H new HETATM 0 H1D CCI B 27 1.215 4.548 11.669 1.00 0.00 H new HETATM 0 H1B CCI B 27 1.756 5.956 2.078 1.00 0.00 H new HETATM 0 H1A CCI B 27 2.237 3.058 -3.958 1.00 0.00 H new