USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 212 hydrogens (0 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 Set 1.1: C 15 DT C7 :methyl 150:sc= -0.415 (180deg=-0.415) USER MOD Set 1.2: C 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= -0.208 (180deg=-0.208) USER MOD Single : B 10 DT C7 :methyl 150:sc= -0.428 (180deg=-0.428) USER MOD Single : B 12 DT C7 :methyl 150:sc=-0.00122 (180deg=-0.00122) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 13 DT O5' : rot -28:sc= 0.00106 USER MOD Single : C 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -1.982 -11.049 -9.390 1.00 0.00 O ATOM 2 C5' DA A 1 -2.174 -9.663 -9.571 1.00 0.00 C ATOM 3 C4' DA A 1 -0.959 -8.894 -9.044 1.00 0.00 C ATOM 4 O4' DA A 1 -1.130 -7.502 -9.226 1.00 0.00 O ATOM 5 C3' DA A 1 -0.716 -9.112 -7.544 1.00 0.00 C ATOM 6 O3' DA A 1 0.404 -9.963 -7.354 1.00 0.00 O ATOM 7 C2' DA A 1 -0.517 -7.690 -7.010 1.00 0.00 C ATOM 8 C1' DA A 1 -0.308 -6.863 -8.273 1.00 0.00 C ATOM 9 N9 DA A 1 -0.719 -5.445 -8.126 1.00 0.00 N ATOM 10 C8 DA A 1 -1.962 -4.939 -7.823 1.00 0.00 C ATOM 11 N7 DA A 1 -2.016 -3.637 -7.767 1.00 0.00 N ATOM 12 C5 DA A 1 -0.715 -3.243 -8.053 1.00 0.00 C ATOM 13 C6 DA A 1 -0.098 -1.978 -8.162 1.00 0.00 C ATOM 14 N6 DA A 1 -0.742 -0.818 -7.996 1.00 0.00 N ATOM 15 N1 DA A 1 1.213 -1.933 -8.459 1.00 0.00 N ATOM 16 C2 DA A 1 1.880 -3.068 -8.637 1.00 0.00 C ATOM 17 N3 DA A 1 1.420 -4.317 -8.566 1.00 0.00 N ATOM 18 C4 DA A 1 0.089 -4.338 -8.269 1.00 0.00 C ATOM 0 H5' DA A 1 -3.074 -9.341 -9.048 1.00 0.00 H new ATOM 0 H5'' DA A 1 -2.324 -9.443 -10.628 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.110 -9.276 -9.611 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.527 -9.614 -7.016 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.384 -7.348 -6.445 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.343 -7.628 -6.343 1.00 0.00 H new ATOM 0 HO5' DA A 1 -2.764 -11.534 -9.728 1.00 0.00 H new ATOM 0 H1' DA A 1 0.748 -6.821 -8.541 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.822 -5.568 -7.646 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.237 0.063 -8.088 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.738 -0.815 -7.777 1.00 0.00 H new ATOM 0 H2 DA A 1 2.930 -2.966 -8.869 1.00 0.00 H new ATOM 31 P DG A 2 0.926 -10.398 -5.885 1.00 0.00 P ATOM 32 OP1 DG A 2 1.603 -11.709 -6.005 1.00 0.00 O ATOM 33 OP2 DG A 2 -0.180 -10.228 -4.916 1.00 0.00 O ATOM 34 O5' DG A 2 2.045 -9.281 -5.569 1.00 0.00 O ATOM 35 C5' DG A 2 3.254 -9.221 -6.301 1.00 0.00 C ATOM 36 C4' DG A 2 4.052 -7.983 -5.889 1.00 0.00 C ATOM 37 O4' DG A 2 3.323 -6.814 -6.220 1.00 0.00 O ATOM 38 C3' DG A 2 4.345 -7.942 -4.381 1.00 0.00 C ATOM 39 O3' DG A 2 5.746 -7.831 -4.191 1.00 0.00 O ATOM 40 C2' DG A 2 3.579 -6.694 -3.922 1.00 0.00 C ATOM 41 C1' DG A 2 3.544 -5.873 -5.194 1.00 0.00 C ATOM 42 N9 DG A 2 2.451 -4.884 -5.129 1.00 0.00 N ATOM 43 C8 DG A 2 1.123 -5.113 -4.898 1.00 0.00 C ATOM 44 N7 DG A 2 0.384 -4.039 -4.895 1.00 0.00 N ATOM 45 C5 DG A 2 1.295 -3.019 -5.141 1.00 0.00 C ATOM 46 C6 DG A 2 1.088 -1.611 -5.242 1.00 0.00 C ATOM 47 O6 DG A 2 0.032 -0.998 -5.127 1.00 0.00 O ATOM 48 N1 DG A 2 2.272 -0.918 -5.500 1.00 0.00 N ATOM 49 C2 DG A 2 3.514 -1.517 -5.643 1.00 0.00 C ATOM 50 N2 DG A 2 4.557 -0.716 -5.885 1.00 0.00 N ATOM 51 N3 DG A 2 3.707 -2.840 -5.543 1.00 0.00 N ATOM 52 C4 DG A 2 2.563 -3.528 -5.291 1.00 0.00 C ATOM 0 H5' DG A 2 3.041 -9.188 -7.369 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.843 -10.120 -6.121 1.00 0.00 H new ATOM 0 H4' DG A 2 5.000 -8.030 -6.425 1.00 0.00 H new ATOM 0 H3' DG A 2 4.040 -8.826 -3.821 1.00 0.00 H new ATOM 0 H2' DG A 2 2.579 -6.936 -3.563 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.091 -6.174 -3.112 1.00 0.00 H new ATOM 0 H1' DG A 2 4.461 -5.307 -5.358 1.00 0.00 H new ATOM 0 H8 DG A 2 0.720 -6.101 -4.732 1.00 0.00 H new ATOM 0 H1 DG A 2 2.220 0.097 -5.589 1.00 0.00 H new ATOM 0 H21 DG A 2 5.490 -1.113 -5.997 1.00 0.00 H new ATOM 0 H22 DG A 2 4.420 0.292 -5.957 1.00 0.00 H new ATOM 64 P DA A 3 6.424 -7.759 -2.723 1.00 0.00 P ATOM 65 OP1 DA A 3 7.823 -8.227 -2.836 1.00 0.00 O ATOM 66 OP2 DA A 3 5.513 -8.393 -1.744 1.00 0.00 O ATOM 67 O5' DA A 3 6.443 -6.173 -2.443 1.00 0.00 O ATOM 68 C5' DA A 3 7.237 -5.305 -3.224 1.00 0.00 C ATOM 69 C4' DA A 3 6.927 -3.849 -2.880 1.00 0.00 C ATOM 70 O4' DA A 3 5.591 -3.503 -3.174 1.00 0.00 O ATOM 71 C3' DA A 3 7.160 -3.483 -1.408 1.00 0.00 C ATOM 72 O3' DA A 3 8.413 -2.831 -1.291 1.00 0.00 O ATOM 73 C2' DA A 3 5.936 -2.618 -1.075 1.00 0.00 C ATOM 74 C1' DA A 3 5.343 -2.322 -2.442 1.00 0.00 C ATOM 75 N9 DA A 3 3.897 -2.075 -2.298 1.00 0.00 N ATOM 76 C8 DA A 3 2.907 -2.976 -1.999 1.00 0.00 C ATOM 77 N7 DA A 3 1.718 -2.444 -1.941 1.00 0.00 N ATOM 78 C5 DA A 3 1.930 -1.100 -2.214 1.00 0.00 C ATOM 79 C6 DA A 3 1.070 0.017 -2.307 1.00 0.00 C ATOM 80 N6 DA A 3 -0.254 -0.054 -2.128 1.00 0.00 N ATOM 81 N1 DA A 3 1.613 1.217 -2.593 1.00 0.00 N ATOM 82 C2 DA A 3 2.927 1.306 -2.776 1.00 0.00 C ATOM 83 N3 DA A 3 3.839 0.339 -2.719 1.00 0.00 N ATOM 84 C4 DA A 3 3.265 -0.862 -2.432 1.00 0.00 C ATOM 0 H5' DA A 3 7.049 -5.483 -4.283 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.293 -5.510 -3.048 1.00 0.00 H new ATOM 0 H4' DA A 3 7.628 -3.293 -3.503 1.00 0.00 H new ATOM 0 H3' DA A 3 7.229 -4.316 -0.708 1.00 0.00 H new ATOM 0 H2' DA A 3 5.230 -3.147 -0.435 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.218 -1.705 -0.551 1.00 0.00 H new ATOM 0 H1' DA A 3 5.765 -1.443 -2.929 1.00 0.00 H new ATOM 0 H8 DA A 3 3.094 -4.026 -1.828 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.825 0.787 -2.208 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.692 -0.949 -1.912 1.00 0.00 H new ATOM 0 H2 DA A 3 3.303 2.293 -3.000 1.00 0.00 H new ATOM 96 P DA A 4 9.011 -2.342 0.126 1.00 0.00 P ATOM 97 OP1 DA A 4 10.452 -2.053 -0.053 1.00 0.00 O ATOM 98 OP2 DA A 4 8.574 -3.286 1.180 1.00 0.00 O ATOM 99 O5' DA A 4 8.240 -0.950 0.343 1.00 0.00 O ATOM 100 C5' DA A 4 8.396 0.129 -0.558 1.00 0.00 C ATOM 101 C4' DA A 4 7.395 1.237 -0.224 1.00 0.00 C ATOM 102 O4' DA A 4 6.057 0.876 -0.530 1.00 0.00 O ATOM 103 C3' DA A 4 7.433 1.644 1.257 1.00 0.00 C ATOM 104 O3' DA A 4 8.008 2.930 1.419 1.00 0.00 O ATOM 105 C2' DA A 4 5.956 1.595 1.625 1.00 0.00 C ATOM 106 C1' DA A 4 5.245 1.682 0.295 1.00 0.00 C ATOM 107 N9 DA A 4 3.890 1.136 0.493 1.00 0.00 N ATOM 108 C8 DA A 4 3.528 -0.157 0.754 1.00 0.00 C ATOM 109 N7 DA A 4 2.244 -0.333 0.884 1.00 0.00 N ATOM 110 C5 DA A 4 1.714 0.936 0.704 1.00 0.00 C ATOM 111 C6 DA A 4 0.397 1.442 0.719 1.00 0.00 C ATOM 112 N6 DA A 4 -0.679 0.667 0.924 1.00 0.00 N ATOM 113 N1 DA A 4 0.228 2.764 0.508 1.00 0.00 N ATOM 114 C2 DA A 4 1.297 3.531 0.299 1.00 0.00 C ATOM 115 N3 DA A 4 2.576 3.178 0.260 1.00 0.00 N ATOM 116 C4 DA A 4 2.718 1.843 0.471 1.00 0.00 C ATOM 0 H5' DA A 4 8.243 -0.215 -1.581 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.413 0.517 -0.501 1.00 0.00 H new ATOM 0 H4' DA A 4 7.705 2.076 -0.847 1.00 0.00 H new ATOM 0 H3' DA A 4 8.048 1.007 1.892 1.00 0.00 H new ATOM 0 H2' DA A 4 5.706 0.674 2.152 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.680 2.422 2.280 1.00 0.00 H new ATOM 0 H1' DA A 4 5.118 2.677 -0.133 1.00 0.00 H new ATOM 0 H8 DA A 4 4.244 -0.961 0.844 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.612 1.080 0.926 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.564 -0.335 1.078 1.00 0.00 H new ATOM 0 H2 DA A 4 1.096 4.580 0.140 1.00 0.00 H new ATOM 128 P DG A 5 8.309 3.561 2.882 1.00 0.00 P ATOM 129 OP1 DG A 5 9.452 4.492 2.752 1.00 0.00 O ATOM 130 OP2 DG A 5 8.373 2.460 3.870 1.00 0.00 O ATOM 131 O5' DG A 5 6.989 4.431 3.198 1.00 0.00 O ATOM 132 C5' DG A 5 6.718 5.632 2.502 1.00 0.00 C ATOM 133 C4' DG A 5 5.380 6.212 2.961 1.00 0.00 C ATOM 134 O4' DG A 5 4.337 5.293 2.698 1.00 0.00 O ATOM 135 C3' DG A 5 5.331 6.545 4.464 1.00 0.00 C ATOM 136 O3' DG A 5 5.070 7.933 4.605 1.00 0.00 O ATOM 137 C2' DG A 5 4.195 5.657 4.968 1.00 0.00 C ATOM 138 C1' DG A 5 3.369 5.477 3.705 1.00 0.00 C ATOM 139 N9 DG A 5 2.492 4.291 3.792 1.00 0.00 N ATOM 140 C8 DG A 5 2.841 2.987 4.027 1.00 0.00 C ATOM 141 N7 DG A 5 1.834 2.165 4.043 1.00 0.00 N ATOM 142 C5 DG A 5 0.731 2.972 3.813 1.00 0.00 C ATOM 143 C6 DG A 5 -0.650 2.628 3.723 1.00 0.00 C ATOM 144 O6 DG A 5 -1.157 1.511 3.822 1.00 0.00 O ATOM 145 N1 DG A 5 -1.450 3.749 3.488 1.00 0.00 N ATOM 146 C2 DG A 5 -0.970 5.045 3.361 1.00 0.00 C ATOM 147 N2 DG A 5 -1.866 6.018 3.159 1.00 0.00 N ATOM 148 N3 DG A 5 0.332 5.360 3.445 1.00 0.00 N ATOM 149 C4 DG A 5 1.126 4.281 3.666 1.00 0.00 C ATOM 0 H5' DG A 5 6.692 5.442 1.429 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.516 6.353 2.679 1.00 0.00 H new ATOM 0 H4' DG A 5 5.259 7.140 2.402 1.00 0.00 H new ATOM 0 H3' DG A 5 6.248 6.360 5.023 1.00 0.00 H new ATOM 0 H2' DG A 5 4.559 4.707 5.359 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.626 6.133 5.766 1.00 0.00 H new ATOM 0 H1' DG A 5 2.707 6.324 3.523 1.00 0.00 H new ATOM 0 H8 DG A 5 3.861 2.670 4.185 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.456 3.605 3.404 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.556 6.985 3.060 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.859 5.793 3.104 1.00 0.00 H new ATOM 161 P DA A 6 4.885 8.652 6.042 1.00 0.00 P ATOM 162 OP1 DA A 6 5.259 10.076 5.897 1.00 0.00 O ATOM 163 OP2 DA A 6 5.544 7.821 7.076 1.00 0.00 O ATOM 164 O5' DA A 6 3.290 8.568 6.268 1.00 0.00 O ATOM 165 C5' DA A 6 2.390 9.302 5.459 1.00 0.00 C ATOM 166 C4' DA A 6 0.947 9.003 5.870 1.00 0.00 C ATOM 167 O4' DA A 6 0.643 7.641 5.609 1.00 0.00 O ATOM 168 C3' DA A 6 0.705 9.247 7.369 1.00 0.00 C ATOM 169 O3' DA A 6 -0.478 9.997 7.551 1.00 0.00 O ATOM 170 C2' DA A 6 0.505 7.838 7.912 1.00 0.00 C ATOM 171 C1' DA A 6 -0.124 7.172 6.696 1.00 0.00 C ATOM 172 N9 DA A 6 -0.099 5.705 6.804 1.00 0.00 N ATOM 173 C8 DA A 6 0.926 4.820 7.028 1.00 0.00 C ATOM 174 N7 DA A 6 0.540 3.572 7.056 1.00 0.00 N ATOM 175 C5 DA A 6 -0.832 3.635 6.839 1.00 0.00 C ATOM 176 C6 DA A 6 -1.865 2.675 6.747 1.00 0.00 C ATOM 177 N6 DA A 6 -1.648 1.359 6.870 1.00 0.00 N ATOM 178 N1 DA A 6 -3.126 3.113 6.521 1.00 0.00 N ATOM 179 C2 DA A 6 -3.337 4.425 6.398 1.00 0.00 C ATOM 180 N3 DA A 6 -2.464 5.409 6.462 1.00 0.00 N ATOM 181 C4 DA A 6 -1.216 4.939 6.687 1.00 0.00 C ATOM 0 H5' DA A 6 2.538 9.044 4.410 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.590 10.369 5.556 1.00 0.00 H new ATOM 0 H4' DA A 6 0.313 9.674 5.291 1.00 0.00 H new ATOM 0 H3' DA A 6 1.511 9.796 7.855 1.00 0.00 H new ATOM 0 H2' DA A 6 1.443 7.368 8.206 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.149 7.816 8.784 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.626 10.147 8.508 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.180 7.418 6.586 1.00 0.00 H new ATOM 0 H8 DA A 6 1.952 5.126 7.168 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.427 0.705 6.796 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.704 1.011 7.038 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.361 4.719 6.222 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -11.011 -1.607 7.820 1.00 0.00 O ATOM 196 C5' DT B 7 -11.130 -1.272 6.454 1.00 0.00 C ATOM 197 C4' DT B 7 -11.004 0.245 6.273 1.00 0.00 C ATOM 198 O4' DT B 7 -9.720 0.675 6.702 1.00 0.00 O ATOM 199 C3' DT B 7 -11.141 0.638 4.800 1.00 0.00 C ATOM 200 O3' DT B 7 -11.766 1.910 4.726 1.00 0.00 O ATOM 201 C2' DT B 7 -9.687 0.640 4.348 1.00 0.00 C ATOM 202 C1' DT B 7 -8.981 1.158 5.593 1.00 0.00 C ATOM 203 N1 DT B 7 -7.566 0.701 5.682 1.00 0.00 N ATOM 204 C2 DT B 7 -6.553 1.644 5.869 1.00 0.00 C ATOM 205 O2 DT B 7 -6.763 2.852 5.955 1.00 0.00 O ATOM 206 N3 DT B 7 -5.256 1.142 5.946 1.00 0.00 N ATOM 207 C4 DT B 7 -4.889 -0.197 5.857 1.00 0.00 C ATOM 208 O4 DT B 7 -3.710 -0.529 5.946 1.00 0.00 O ATOM 209 C5 DT B 7 -6.001 -1.108 5.663 1.00 0.00 C ATOM 210 C7 DT B 7 -5.727 -2.596 5.550 1.00 0.00 C ATOM 211 C6 DT B 7 -7.271 -0.640 5.586 1.00 0.00 C ATOM 0 H5' DT B 7 -12.091 -1.614 6.070 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.357 -1.781 5.878 1.00 0.00 H new ATOM 0 H4' DT B 7 -11.796 0.710 6.860 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.754 -0.013 4.177 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.344 -0.356 4.067 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.527 1.288 3.486 1.00 0.00 H new ATOM 0 HO5' DT B 7 -11.094 -2.578 7.927 1.00 0.00 H new ATOM 0 H1' DT B 7 -8.942 2.247 5.566 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.505 1.819 6.080 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.582 -3.153 5.933 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.562 -2.857 4.505 1.00 0.00 H new ATOM 0 H73 DT B 7 -4.840 -2.848 6.131 1.00 0.00 H new ATOM 0 H6 DT B 7 -8.079 -1.343 5.445 1.00 0.00 H new ATOM 225 P DC B 8 -12.194 2.586 3.322 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.379 3.438 3.562 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.245 1.533 2.282 1.00 0.00 O ATOM 228 O5' DC B 8 -10.938 3.540 3.003 1.00 0.00 O ATOM 229 C5' DC B 8 -10.792 4.807 3.618 1.00 0.00 C ATOM 230 C4' DC B 8 -9.453 5.420 3.205 1.00 0.00 C ATOM 231 O4' DC B 8 -8.393 4.614 3.666 1.00 0.00 O ATOM 232 C3' DC B 8 -9.283 5.539 1.686 1.00 0.00 C ATOM 233 O3' DC B 8 -9.610 6.861 1.283 1.00 0.00 O ATOM 234 C2' DC B 8 -7.808 5.176 1.474 1.00 0.00 C ATOM 235 C1' DC B 8 -7.265 4.917 2.874 1.00 0.00 C ATOM 236 N1 DC B 8 -6.355 3.747 2.869 1.00 0.00 N ATOM 237 C2 DC B 8 -5.024 3.893 3.252 1.00 0.00 C ATOM 238 O2 DC B 8 -4.573 4.996 3.545 1.00 0.00 O ATOM 239 N3 DC B 8 -4.227 2.786 3.241 1.00 0.00 N ATOM 240 C4 DC B 8 -4.701 1.582 2.878 1.00 0.00 C ATOM 241 N4 DC B 8 -3.866 0.533 2.892 1.00 0.00 N ATOM 242 C5 DC B 8 -6.074 1.418 2.477 1.00 0.00 C ATOM 243 C6 DC B 8 -6.852 2.528 2.492 1.00 0.00 C ATOM 0 H5' DC B 8 -10.839 4.705 4.702 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.611 5.463 3.324 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.439 6.418 3.644 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.931 4.895 1.092 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.705 4.295 0.841 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.268 5.986 0.984 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.707 5.776 3.246 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.203 -0.391 2.621 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.894 0.659 3.174 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.465 0.457 2.179 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.889 2.449 2.200 1.00 0.00 H new ATOM 255 P DT B 9 -9.578 7.344 -0.262 1.00 0.00 P ATOM 256 OP1 DT B 9 -10.321 8.621 -0.359 1.00 0.00 O ATOM 257 OP2 DT B 9 -9.968 6.203 -1.120 1.00 0.00 O ATOM 258 O5' DT B 9 -8.016 7.656 -0.524 1.00 0.00 O ATOM 259 C5' DT B 9 -7.342 8.698 0.157 1.00 0.00 C ATOM 260 C4' DT B 9 -5.831 8.578 -0.069 1.00 0.00 C ATOM 261 O4' DT B 9 -5.339 7.354 0.444 1.00 0.00 O ATOM 262 C3' DT B 9 -5.438 8.643 -1.551 1.00 0.00 C ATOM 263 O3' DT B 9 -4.912 9.932 -1.824 1.00 0.00 O ATOM 264 C2' DT B 9 -4.452 7.482 -1.693 1.00 0.00 C ATOM 265 C1' DT B 9 -4.167 7.024 -0.269 1.00 0.00 C ATOM 266 N1 DT B 9 -3.926 5.556 -0.271 1.00 0.00 N ATOM 267 C2 DT B 9 -2.662 5.062 0.049 1.00 0.00 C ATOM 268 O2 DT B 9 -1.697 5.786 0.281 1.00 0.00 O ATOM 269 N3 DT B 9 -2.523 3.678 0.022 1.00 0.00 N ATOM 270 C4 DT B 9 -3.519 2.759 -0.293 1.00 0.00 C ATOM 271 O4 DT B 9 -3.288 1.552 -0.250 1.00 0.00 O ATOM 272 C5 DT B 9 -4.799 3.360 -0.621 1.00 0.00 C ATOM 273 C7 DT B 9 -5.977 2.484 -0.999 1.00 0.00 C ATOM 274 C6 DT B 9 -4.955 4.705 -0.597 1.00 0.00 C ATOM 0 H5' DT B 9 -7.564 8.650 1.223 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.696 9.665 -0.199 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.394 9.429 0.453 1.00 0.00 H new ATOM 0 H3' DT B 9 -6.245 8.529 -2.275 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.878 6.674 -2.289 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.538 7.801 -2.195 1.00 0.00 H new ATOM 0 H1' DT B 9 -3.287 7.489 0.175 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.604 3.301 0.255 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.904 2.972 -0.699 1.00 0.00 H new ATOM 0 H72 DT B 9 -5.982 2.326 -2.078 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.893 1.523 -0.492 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.920 5.123 -0.842 1.00 0.00 H new ATOM 287 P DT B 10 -4.191 10.304 -3.217 1.00 0.00 P ATOM 288 OP1 DT B 10 -4.283 11.767 -3.423 1.00 0.00 O ATOM 289 OP2 DT B 10 -4.664 9.374 -4.267 1.00 0.00 O ATOM 290 O5' DT B 10 -2.670 9.941 -2.840 1.00 0.00 O ATOM 291 C5' DT B 10 -1.669 9.787 -3.819 1.00 0.00 C ATOM 292 C4' DT B 10 -0.379 9.388 -3.098 1.00 0.00 C ATOM 293 O4' DT B 10 -0.534 8.104 -2.512 1.00 0.00 O ATOM 294 C3' DT B 10 0.788 9.300 -4.077 1.00 0.00 C ATOM 295 O3' DT B 10 1.965 9.562 -3.322 1.00 0.00 O ATOM 296 C2' DT B 10 0.694 7.831 -4.513 1.00 0.00 C ATOM 297 C1' DT B 10 0.296 7.174 -3.190 1.00 0.00 C ATOM 298 N1 DT B 10 -0.357 5.832 -3.233 1.00 0.00 N ATOM 299 C2 DT B 10 0.406 4.712 -2.885 1.00 0.00 C ATOM 300 O2 DT B 10 1.600 4.767 -2.595 1.00 0.00 O ATOM 301 N3 DT B 10 -0.243 3.485 -2.926 1.00 0.00 N ATOM 302 C4 DT B 10 -1.572 3.275 -3.275 1.00 0.00 C ATOM 303 O4 DT B 10 -2.049 2.143 -3.234 1.00 0.00 O ATOM 304 C5 DT B 10 -2.295 4.483 -3.630 1.00 0.00 C ATOM 305 C7 DT B 10 -3.753 4.372 -4.038 1.00 0.00 C ATOM 306 C6 DT B 10 -1.679 5.695 -3.596 1.00 0.00 C ATOM 0 H5' DT B 10 -1.528 10.715 -4.372 1.00 0.00 H new ATOM 0 H5'' DT B 10 -1.955 9.024 -4.543 1.00 0.00 H new ATOM 0 H4' DT B 10 -0.177 10.146 -2.341 1.00 0.00 H new ATOM 0 H3' DT B 10 0.787 9.983 -4.926 1.00 0.00 H new ATOM 0 H2' DT B 10 -0.051 7.677 -5.293 1.00 0.00 H new ATOM 0 H2'' DT B 10 1.641 7.451 -4.897 1.00 0.00 H new ATOM 0 H1' DT B 10 1.232 6.946 -2.680 1.00 0.00 H new ATOM 0 H3 DT B 10 0.306 2.662 -2.677 1.00 0.00 H new ATOM 0 H71 DT B 10 -4.279 5.286 -3.762 1.00 0.00 H new ATOM 0 H72 DT B 10 -3.819 4.227 -5.116 1.00 0.00 H new ATOM 0 H73 DT B 10 -4.210 3.523 -3.529 1.00 0.00 H new ATOM 0 H6 DT B 10 -2.243 6.577 -3.862 1.00 0.00 H new ATOM 319 P DC B 11 3.337 10.143 -3.958 1.00 0.00 P ATOM 320 OP1 DC B 11 4.121 10.727 -2.847 1.00 0.00 O ATOM 321 OP2 DC B 11 2.999 10.985 -5.129 1.00 0.00 O ATOM 322 O5' DC B 11 4.135 8.837 -4.471 1.00 0.00 O ATOM 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11 3.828 5.102 -7.975 1.00 0.00 H new ATOM 0 H2'' DC B 11 5.532 4.722 -7.820 1.00 0.00 H new ATOM 0 H1' DC B 11 5.322 4.361 -5.512 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.056 2.344 -5.845 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.081 0.900 -5.550 1.00 0.00 H new ATOM 0 H5 DC B 11 -0.063 4.552 -6.183 1.00 0.00 H new ATOM 0 H6 DC B 11 2.032 5.791 -6.274 1.00 0.00 H new ATOM 349 P DT B 12 6.675 6.801 -9.607 1.00 0.00 P ATOM 350 OP1 DT B 12 8.003 7.397 -9.876 1.00 0.00 O ATOM 351 OP2 DT B 12 5.503 7.253 -10.390 1.00 0.00 O ATOM 352 O5' DT B 12 6.803 5.199 -9.793 1.00 0.00 O ATOM 353 C5' DT B 12 7.869 4.461 -9.222 1.00 0.00 C ATOM 354 C4' DT B 12 7.691 2.961 -9.490 1.00 0.00 C ATOM 355 O4' DT B 12 6.475 2.513 -8.910 1.00 0.00 O ATOM 356 C3' DT B 12 7.639 2.631 -10.989 1.00 0.00 C ATOM 357 O3' DT B 12 8.394 1.467 -11.260 1.00 0.00 O ATOM 358 C2' DT B 12 6.159 2.356 -11.225 1.00 0.00 C ATOM 359 C1' DT B 12 5.753 1.767 -9.871 1.00 0.00 C ATOM 360 N1 DT B 12 4.285 1.832 -9.593 1.00 0.00 N ATOM 361 C2 DT B 12 3.652 0.667 -9.149 1.00 0.00 C ATOM 362 O2 DT B 12 4.243 -0.395 -8.966 1.00 0.00 O ATOM 363 N3 DT B 12 2.289 0.758 -8.906 1.00 0.00 N ATOM 364 C4 DT B 12 1.500 1.895 -9.067 1.00 0.00 C ATOM 365 O4 DT B 12 0.297 1.854 -8.825 1.00 0.00 O ATOM 366 C5 DT B 12 2.224 3.068 -9.525 1.00 0.00 C ATOM 367 C7 DT B 12 1.462 4.371 -9.744 1.00 0.00 C ATOM 368 C6 DT B 12 3.563 2.997 -9.769 1.00 0.00 C ATOM 0 H5' DT B 12 7.909 4.642 -8.148 1.00 0.00 H new ATOM 0 H5'' DT B 12 8.818 4.800 -9.638 1.00 0.00 H new ATOM 0 H4' DT B 12 8.555 2.462 -9.052 1.00 0.00 H new ATOM 0 H3' DT B 12 8.043 3.422 -11.620 1.00 0.00 H new ATOM 0 H2' DT B 12 5.604 3.263 -11.464 1.00 0.00 H new ATOM 0 H2'' DT B 12 5.995 1.657 -12.045 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.352 1.266 -12.218 1.00 0.00 H new ATOM 0 H1' DT B 12 5.983 0.702 -9.850 1.00 0.00 H new ATOM 0 H3 DT B 12 1.821 -0.087 -8.579 1.00 0.00 H new ATOM 0 H71 DT B 12 2.125 5.216 -9.559 1.00 0.00 H new ATOM 0 H72 DT B 12 1.100 4.412 -10.771 1.00 0.00 H new ATOM 0 H73 DT B 12 0.616 4.417 -9.059 1.00 0.00 H new ATOM 0 H6 DT B 12 4.078 3.882 -10.112 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -10.674 -1.154 -9.069 1.00 0.00 O ATOM 384 C5' DT C 13 -10.522 -1.184 -7.666 1.00 0.00 C ATOM 385 C4' DT C 13 -9.800 -2.469 -7.245 1.00 0.00 C ATOM 386 O4' DT C 13 -8.488 -2.482 -7.787 1.00 0.00 O ATOM 387 C3' DT C 13 -9.649 -2.551 -5.722 1.00 0.00 C ATOM 388 O3' DT C 13 -9.748 -3.911 -5.329 1.00 0.00 O ATOM 389 C2' DT C 13 -8.288 -1.941 -5.512 1.00 0.00 C ATOM 390 C1' DT C 13 -7.550 -2.505 -6.725 1.00 0.00 C ATOM 391 N1 DT C 13 -6.377 -1.664 -7.056 1.00 0.00 N ATOM 392 C2 DT C 13 -5.117 -2.254 -7.162 1.00 0.00 C ATOM 393 O2 DT C 13 -4.926 -3.460 -7.016 1.00 0.00 O ATOM 394 N3 DT C 13 -4.065 -1.396 -7.469 1.00 0.00 N ATOM 395 C4 DT C 13 -4.170 -0.021 -7.671 1.00 0.00 C ATOM 396 O4 DT C 13 -3.170 0.655 -7.897 1.00 0.00 O ATOM 397 C5 DT C 13 -5.519 0.504 -7.549 1.00 0.00 C ATOM 398 C7 DT C 13 -5.761 1.988 -7.751 1.00 0.00 C ATOM 399 C6 DT C 13 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H new ATOM 0 H2' DC C 14 -5.818 -5.843 -2.076 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.795 -7.266 -2.044 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.228 -7.096 -4.290 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.441 -0.456 -4.218 1.00 0.00 H new ATOM 0 H42 DC C 14 -1.863 -1.159 -4.587 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.418 -1.813 -3.802 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.291 -4.091 -3.674 1.00 0.00 H new ATOM 443 P DT C 15 -6.253 -9.796 -1.434 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.334 -11.248 -1.706 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.144 -9.190 -0.419 1.00 0.00 O ATOM 446 O5' DT C 15 -4.731 -9.445 -1.035 1.00 0.00 O ATOM 447 C5' DT C 15 -3.630 -10.049 -1.685 1.00 0.00 C ATOM 448 C4' DT C 15 -2.346 -9.266 -1.395 1.00 0.00 C ATOM 449 O4' DT C 15 -2.345 -8.003 -2.045 1.00 0.00 O ATOM 450 C3' DT C 15 -2.117 -8.965 0.091 1.00 0.00 C ATOM 451 O3' DT C 15 -1.417 -10.019 0.744 1.00 0.00 O ATOM 452 C2' DT C 15 -1.244 -7.733 -0.030 1.00 0.00 C ATOM 453 C1' DT C 15 -1.303 -7.244 -1.461 1.00 0.00 C ATOM 454 N1 DT C 15 -1.598 -5.785 -1.400 1.00 0.00 N ATOM 455 C2 DT C 15 -0.612 -4.879 -1.779 1.00 0.00 C ATOM 456 O2 DT C 15 0.524 -5.228 -2.086 1.00 0.00 O ATOM 457 N3 DT C 15 -0.952 -3.533 -1.697 1.00 0.00 N ATOM 458 C4 DT C 15 -2.178 -3.022 -1.277 1.00 0.00 C ATOM 459 O4 DT C 15 -2.379 -1.810 -1.262 1.00 0.00 O ATOM 460 C5 DT C 15 -3.140 -4.033 -0.888 1.00 0.00 C ATOM 461 C7 DT C 15 -4.514 -3.616 -0.404 1.00 0.00 C ATOM 462 C6 DT C 15 -2.826 -5.348 -0.963 1.00 0.00 C ATOM 0 H5' DT C 15 -3.808 -10.084 -2.760 1.00 0.00 H new ATOM 0 H5'' DT C 15 -3.520 -11.079 -1.347 1.00 0.00 H new ATOM 0 H4' DT C 15 -1.558 -9.923 -1.764 1.00 0.00 H new ATOM 0 H3' DT C 15 -3.028 -8.843 0.677 1.00 0.00 H new ATOM 0 H2' DT C 15 -1.589 -6.955 0.651 1.00 0.00 H new ATOM 0 H2'' DT C 15 -0.217 -7.967 0.249 1.00 0.00 H new ATOM 0 H1' DT C 15 -0.391 -7.366 -2.045 1.00 0.00 H new ATOM 0 H3 DT C 15 -0.238 -2.858 -1.970 1.00 0.00 H new ATOM 0 H71 DT C 15 -5.239 -4.389 -0.657 1.00 0.00 H new ATOM 0 H72 DT C 15 -4.493 -3.479 0.677 1.00 0.00 H new ATOM 0 H73 DT C 15 -4.800 -2.680 -0.883 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.565 -6.078 -0.670 1.00 0.00 H new ATOM 475 P DT C 16 -0.940 -9.939 2.299 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.501 -11.294 2.700 1.00 0.00 O ATOM 477 OP2 DT C 16 -2.017 -9.272 3.065 1.00 0.00 O ATOM 478 O5' DT C 16 0.364 -8.967 2.346 1.00 0.00 O ATOM 479 C5' DT C 16 1.618 -9.333 1.786 1.00 0.00 C ATOM 480 C4' DT C 16 2.617 -8.164 1.875 1.00 0.00 C ATOM 481 O4' DT C 16 2.057 -7.019 1.263 1.00 0.00 O ATOM 482 C3' DT C 16 2.989 -7.783 3.316 1.00 0.00 C ATOM 483 O3' DT C 16 4.324 -8.176 3.609 1.00 0.00 O ATOM 484 C2' DT C 16 2.829 -6.261 3.345 1.00 0.00 C ATOM 485 C1' DT C 16 2.527 -5.850 1.907 1.00 0.00 C ATOM 486 N1 DT C 16 1.444 -4.837 1.857 1.00 0.00 N ATOM 487 C2 DT C 16 1.691 -3.578 1.326 1.00 0.00 C ATOM 488 O2 DT C 16 2.804 -3.228 0.945 1.00 0.00 O ATOM 489 N3 DT C 16 0.608 -2.705 1.302 1.00 0.00 N ATOM 490 C4 DT C 16 -0.689 -2.986 1.748 1.00 0.00 C ATOM 491 O4 DT C 16 -1.562 -2.124 1.682 1.00 0.00 O ATOM 492 C5 DT C 16 -0.856 -4.326 2.298 1.00 0.00 C ATOM 493 C7 DT C 16 -2.206 -4.815 2.823 1.00 0.00 C ATOM 494 C6 DT C 16 0.203 -5.172 2.323 1.00 0.00 C ATOM 0 H5' DT C 16 1.485 -9.626 0.744 1.00 0.00 H new ATOM 0 H5'' DT C 16 2.018 -10.200 2.312 1.00 0.00 H new ATOM 0 H4' DT C 16 3.522 -8.501 1.370 1.00 0.00 H new ATOM 0 H3' DT C 16 2.368 -8.276 4.064 1.00 0.00 H new ATOM 0 H2' DT C 16 2.021 -5.965 4.015 1.00 0.00 H new ATOM 0 H2'' DT C 16 3.737 -5.779 3.708 1.00 0.00 H new ATOM 0 H1' DT C 16 3.416 -5.425 1.440 1.00 0.00 H new ATOM 0 H3 DT C 16 0.775 -1.772 0.924 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.280 -5.894 2.686 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.292 -4.577 3.883 1.00 0.00 H new ATOM 0 H73 DT C 16 -3.009 -4.324 2.274 1.00 0.00 H new ATOM 0 H6 DT C 16 0.059 -6.161 2.732 1.00 0.00 H new ATOM 507 P DC C 17 4.989 -8.001 5.082 1.00 0.00 P ATOM 508 OP1 DC C 17 6.228 -8.810 5.118 1.00 0.00 O ATOM 509 OP2 DC C 17 3.936 -8.240 6.094 1.00 0.00 O ATOM 510 O5' DC C 17 5.413 -6.440 5.168 1.00 0.00 O ATOM 511 C5' DC C 17 6.494 -5.916 4.418 1.00 0.00 C ATOM 512 C4' DC C 17 6.517 -4.383 4.480 1.00 0.00 C ATOM 513 O4' DC C 17 5.394 -3.813 3.827 1.00 0.00 O ATOM 514 C3' DC C 17 6.564 -3.814 5.907 1.00 0.00 C ATOM 515 O3' DC C 17 7.907 -3.496 6.238 1.00 0.00 O ATOM 516 C2' DC C 17 5.656 -2.605 5.780 1.00 0.00 C ATOM 517 C1' DC C 17 5.199 -2.503 4.332 1.00 0.00 C ATOM 518 N1 DC C 17 3.753 -2.155 4.376 1.00 0.00 N ATOM 519 C2 DC C 17 3.277 -0.902 3.997 1.00 0.00 C ATOM 520 O2 DC C 17 4.050 -0.009 3.668 1.00 0.00 O ATOM 521 N3 DC C 17 1.929 -0.678 4.076 1.00 0.00 N ATOM 522 C4 DC C 17 1.067 -1.618 4.503 1.00 0.00 C ATOM 523 N4 DC C 17 -0.240 -1.318 4.553 1.00 0.00 N ATOM 524 C5 DC C 17 1.560 -2.910 4.907 1.00 0.00 C ATOM 525 C6 DC C 17 2.877 -3.100 4.815 1.00 0.00 C ATOM 0 H5' DC C 17 6.412 -6.240 3.381 1.00 0.00 H new ATOM 0 H5'' DC C 17 7.434 -6.313 4.802 1.00 0.00 H new ATOM 0 H4' DC C 17 7.442 -4.112 3.970 1.00 0.00 H new ATOM 0 H3' DC C 17 6.239 -4.481 6.705 1.00 0.00 H new ATOM 0 H2' DC C 17 4.797 -2.704 6.444 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.185 -1.699 6.076 1.00 0.00 H new ATOM 0 H1' DC C 17 5.720 -1.764 3.723 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.911 -2.016 4.874 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.562 -0.392 4.270 1.00 0.00 H new ATOM 0 H5 DC C 17 0.898 -3.684 5.266 1.00 0.00 H new ATOM 0 H6 DC C 17 3.272 -4.062 5.106 1.00 0.00 H new ATOM 537 P DT C 18 8.363 -3.053 7.727 1.00 0.00 P ATOM 538 OP1 DT C 18 9.842 -3.098 7.781 1.00 0.00 O ATOM 539 OP2 DT C 18 7.575 -3.830 8.710 1.00 0.00 O ATOM 540 O5' DT C 18 7.908 -1.511 7.834 1.00 0.00 O ATOM 541 C5' DT C 18 8.531 -0.493 7.072 1.00 0.00 C ATOM 542 C4' DT C 18 7.838 0.847 7.338 1.00 0.00 C ATOM 543 O4' DT C 18 6.484 0.767 6.918 1.00 0.00 O ATOM 544 C3' DT C 18 7.841 1.199 8.834 1.00 0.00 C ATOM 545 O3' DT C 18 8.104 2.577 9.014 1.00 0.00 O ATOM 546 C2' DT C 18 6.413 0.875 9.257 1.00 0.00 C ATOM 547 C1' DT C 18 5.662 1.226 7.971 1.00 0.00 C ATOM 548 N1 DT C 18 4.273 0.681 7.877 1.00 0.00 N ATOM 549 C2 DT C 18 3.281 1.546 7.408 1.00 0.00 C ATOM 550 O2 DT C 18 3.505 2.704 7.059 1.00 0.00 O ATOM 551 N3 DT C 18 1.992 1.035 7.333 1.00 0.00 N ATOM 552 C4 DT C 18 1.603 -0.249 7.689 1.00 0.00 C ATOM 553 O4 DT C 18 0.429 -0.592 7.586 1.00 0.00 O ATOM 554 C5 DT C 18 2.685 -1.094 8.162 1.00 0.00 C ATOM 555 C7 DT C 18 2.358 -2.515 8.589 1.00 0.00 C ATOM 556 C6 DT C 18 3.958 -0.616 8.243 1.00 0.00 C ATOM 0 H5' DT C 18 8.479 -0.736 6.011 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.587 -0.425 7.332 1.00 0.00 H new ATOM 0 H4' DT C 18 8.383 1.614 6.788 1.00 0.00 H new ATOM 0 H3' DT C 18 8.598 0.663 9.406 1.00 0.00 H new ATOM 0 H2' DT C 18 6.290 -0.171 9.538 1.00 0.00 H new ATOM 0 H2'' DT C 18 6.085 1.474 10.107 1.00 0.00 H new ATOM 0 HO3' DT C 18 8.101 2.788 9.971 1.00 0.00 H new ATOM 0 H1' DT C 18 5.494 2.302 7.933 1.00 0.00 H new ATOM 0 H3 DT C 18 1.265 1.660 6.985 1.00 0.00 H new ATOM 0 H71 DT C 18 3.219 -3.157 8.405 1.00 0.00 H new ATOM 0 H72 DT C 18 2.115 -2.529 9.651 1.00 0.00 H new ATOM 0 H73 DT C 18 1.505 -2.880 8.017 1.00 0.00 H new ATOM 0 H6 DT C 18 4.742 -1.266 8.602 1.00 0.00 H new TER 570 DT C 18