USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 152 hydrogens (56 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: A 1 MCY O5' : rot -54:sc= 0.961 USER MOD Set 1.2: D 12 DT O3' : rot 180:sc= 0.837 USER MOD Set 2.1: B 6 DT O3' : rot 68:sc= 0.157 USER MOD Set 2.2: C 7 MCY O5' : rot -15:sc= 0.549 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 3 DT O3' : rot 180:sc= 0 USER MOD Single : B 4 MCY O5' : rot 30:sc= 0.138 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 9 DT O3' : rot 180:sc= 0 USER MOD Single : D 10 MCY O5' : rot 180:sc= 0 USER MOD Single : D 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 N1 MCY A 1 2.767 -4.709 1.470 1.00 0.00 N HETATM 2 C2 MCY A 1 1.759 -4.890 0.555 1.00 0.00 C HETATM 3 N3 MCY A 1 0.501 -5.051 1.034 1.00 0.00 N HETATM 4 C4 MCY A 1 0.243 -5.038 2.351 1.00 0.00 C HETATM 5 C5 MCY A 1 1.243 -4.858 3.237 1.00 0.00 C HETATM 6 C6 MCY A 1 2.496 -4.689 2.796 1.00 0.00 C HETATM 7 O2 MCY A 1 2.003 -4.904 -0.650 1.00 0.00 O HETATM 8 N4 MCY A 1 -1.002 -5.231 2.776 1.00 0.00 N HETATM 9 C1' MCY A 1 4.147 -4.578 0.963 1.00 0.00 C HETATM 10 C2' MCY A 1 4.958 -3.600 1.804 1.00 0.00 C HETATM 11 C3' MCY A 1 6.105 -4.389 2.394 1.00 0.00 C HETATM 12 C4' MCY A 1 6.060 -5.755 1.721 1.00 0.00 C HETATM 13 O4' MCY A 1 4.819 -5.856 0.994 1.00 0.00 O HETATM 14 O3' MCY A 1 7.359 -3.745 2.145 1.00 0.00 O HETATM 15 C5' MCY A 1 6.191 -6.888 2.739 1.00 0.00 C HETATM 16 O5' MCY A 1 7.045 -7.925 2.253 1.00 0.00 O HETATM 17 C5A MCY A 1 0.954 -4.858 4.737 1.00 0.00 C HETATM 0 HO5' MCY A 1 6.730 -8.224 1.375 1.00 0.00 H new HETATM 0 HN42 MCY A 1 -1.207 -5.223 3.775 1.00 0.00 H new HETATM 0 HN41 MCY A 1 -1.752 -5.387 2.103 1.00 0.00 H new HETATM 0 H5A3 MCY A 1 0.252 -4.058 4.972 1.00 0.00 H new HETATM 0 H5A2 MCY A 1 0.522 -5.817 5.024 1.00 0.00 H new HETATM 0 H5A1 MCY A 1 1.882 -4.699 5.286 1.00 0.00 H new HETATM 0 H5'' MCY A 1 6.588 -6.495 3.675 1.00 0.00 H new HETATM 0 H2'' MCY A 1 5.328 -2.777 1.193 1.00 0.00 H new HETATM 0 H6 MCY A 1 3.304 -4.534 3.511 1.00 0.00 H new HETATM 0 H5' MCY A 1 5.205 -7.298 2.959 1.00 0.00 H new HETATM 0 H4' MCY A 1 6.904 -5.852 1.038 1.00 0.00 H new HETATM 0 H3' MCY A 1 6.010 -4.470 3.477 1.00 0.00 H new HETATM 0 H2' MCY A 1 4.343 -3.162 2.590 1.00 0.00 H new HETATM 0 H1' MCY A 1 4.077 -4.208 -0.060 1.00 0.00 H new ATOM 32 P DC A 2 7.769 -2.403 2.934 1.00 0.00 P ATOM 33 OP1 DC A 2 9.195 -2.122 2.658 1.00 0.00 O ATOM 34 OP2 DC A 2 7.296 -2.523 4.332 1.00 0.00 O ATOM 35 O5' DC A 2 6.881 -1.284 2.192 1.00 0.00 O ATOM 36 C5' DC A 2 6.459 -0.107 2.884 1.00 0.00 C ATOM 37 C4' DC A 2 6.287 1.066 1.923 1.00 0.00 C ATOM 38 O4' DC A 2 5.043 0.958 1.198 1.00 0.00 O ATOM 39 C3' DC A 2 6.287 2.392 2.669 1.00 0.00 C ATOM 40 O3' DC A 2 7.509 3.106 2.451 1.00 0.00 O ATOM 41 C2' DC A 2 5.106 3.162 2.137 1.00 0.00 C ATOM 42 C1' DC A 2 4.318 2.205 1.253 1.00 0.00 C ATOM 43 N1 DC A 2 2.934 1.983 1.744 1.00 0.00 N ATOM 44 C2 DC A 2 1.990 1.630 0.783 1.00 0.00 C ATOM 45 O2 DC A 2 2.278 1.506 -0.407 1.00 0.00 O ATOM 46 N3 DC A 2 0.708 1.423 1.241 1.00 0.00 N ATOM 47 C4 DC A 2 0.357 1.550 2.551 1.00 0.00 C ATOM 48 N4 DC A 2 -0.906 1.288 2.883 1.00 0.00 N ATOM 49 C5 DC A 2 1.330 1.911 3.522 1.00 0.00 C ATOM 50 C6 DC A 2 2.601 2.116 3.084 1.00 0.00 C ATOM 0 H5' DC A 2 7.191 0.151 3.649 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.517 -0.301 3.397 1.00 0.00 H new ATOM 0 H4' DC A 2 7.127 1.034 1.230 1.00 0.00 H new ATOM 0 H3' DC A 2 6.212 2.243 3.746 1.00 0.00 H new ATOM 0 H2' DC A 2 4.487 3.532 2.954 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.436 4.031 1.568 1.00 0.00 H new ATOM 0 H1' DC A 2 4.218 2.643 0.260 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.206 1.372 3.854 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.573 1.003 2.166 1.00 0.00 H new ATOM 0 H5 DC A 2 1.071 2.018 4.565 1.00 0.00 H new ATOM 0 H6 DC A 2 3.367 2.388 3.795 1.00 0.00 H new ATOM 62 P DT A 3 7.765 4.533 3.155 1.00 0.00 P ATOM 63 OP1 DT A 3 9.212 4.833 3.083 1.00 0.00 O ATOM 64 OP2 DT A 3 7.076 4.534 4.466 1.00 0.00 O ATOM 65 O5' DT A 3 6.990 5.548 2.170 1.00 0.00 O ATOM 66 C5' DT A 3 6.027 6.477 2.677 1.00 0.00 C ATOM 67 C4' DT A 3 5.092 6.963 1.568 1.00 0.00 C ATOM 68 O4' DT A 3 3.708 6.725 1.907 1.00 0.00 O ATOM 69 C3' DT A 3 5.261 8.454 1.308 1.00 0.00 C ATOM 70 O3' DT A 3 5.970 8.677 0.085 1.00 0.00 O ATOM 71 C2' DT A 3 3.866 9.020 1.235 1.00 0.00 C ATOM 72 C1' DT A 3 2.912 7.890 1.594 1.00 0.00 C ATOM 73 N1 DT A 3 2.046 8.257 2.739 1.00 0.00 N ATOM 74 C2 DT A 3 0.686 8.037 2.606 1.00 0.00 C ATOM 75 O2 DT A 3 0.191 7.588 1.575 1.00 0.00 O ATOM 76 N3 DT A 3 -0.092 8.358 3.702 1.00 0.00 N ATOM 77 C4 DT A 3 0.363 8.873 4.902 1.00 0.00 C ATOM 78 O4 DT A 3 -0.422 9.117 5.816 1.00 0.00 O ATOM 79 C5 DT A 3 1.795 9.073 4.951 1.00 0.00 C ATOM 80 C7 DT A 3 2.433 9.628 6.222 1.00 0.00 C ATOM 81 C6 DT A 3 2.576 8.769 3.895 1.00 0.00 C ATOM 0 H5' DT A 3 6.539 7.329 3.124 1.00 0.00 H new ATOM 0 H5'' DT A 3 5.444 6.005 3.468 1.00 0.00 H new ATOM 0 H4' DT A 3 5.359 6.400 0.674 1.00 0.00 H new ATOM 0 H3' DT A 3 5.842 8.935 2.095 1.00 0.00 H new ATOM 0 H2' DT A 3 3.752 9.856 1.925 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.655 9.401 0.236 1.00 0.00 H new ATOM 0 HO3' DT A 3 6.067 9.640 -0.066 1.00 0.00 H new ATOM 0 H1' DT A 3 2.250 7.684 0.753 1.00 0.00 H new ATOM 0 H3 DT A 3 -1.096 8.200 3.618 1.00 0.00 H new ATOM 0 H71 DT A 3 3.447 9.241 6.319 1.00 0.00 H new ATOM 0 H72 DT A 3 2.464 10.716 6.168 1.00 0.00 H new ATOM 0 H73 DT A 3 1.844 9.324 7.087 1.00 0.00 H new ATOM 0 H6 DT A 3 3.642 8.932 3.961 1.00 0.00 H new TER 95 DT A 3 HETATM 96 N1 MCY B 4 -2.682 4.433 1.973 1.00 0.00 N HETATM 97 C2 MCY B 4 -1.745 4.701 1.002 1.00 0.00 C HETATM 98 N3 MCY B 4 -0.468 4.913 1.409 1.00 0.00 N HETATM 99 C4 MCY B 4 -0.127 4.867 2.708 1.00 0.00 C HETATM 100 C5 MCY B 4 -1.063 4.607 3.645 1.00 0.00 C HETATM 101 C6 MCY B 4 -2.332 4.391 3.272 1.00 0.00 C HETATM 102 O2 MCY B 4 -2.068 4.748 -0.184 1.00 0.00 O HETATM 103 N4 MCY B 4 1.139 5.084 3.063 1.00 0.00 N HETATM 104 C1' MCY B 4 -4.065 4.154 1.555 1.00 0.00 C HETATM 105 C2' MCY B 4 -4.635 2.985 2.343 1.00 0.00 C HETATM 106 C3' MCY B 4 -5.915 3.467 2.978 1.00 0.00 C HETATM 107 C4' MCY B 4 -6.096 4.909 2.513 1.00 0.00 C HETATM 108 O4' MCY B 4 -4.919 5.296 1.770 1.00 0.00 O HETATM 109 O3' MCY B 4 -7.036 2.648 2.597 1.00 0.00 O HETATM 110 C5' MCY B 4 -6.312 5.843 3.700 1.00 0.00 C HETATM 111 O5' MCY B 4 -5.075 6.187 4.331 1.00 0.00 O HETATM 112 C5A MCY B 4 -0.682 4.552 5.122 1.00 0.00 C HETATM 0 HO5' MCY B 4 -4.354 6.174 3.667 1.00 0.00 H new HETATM 0 HN42 MCY B 4 1.406 5.051 4.047 1.00 0.00 H new HETATM 0 HN41 MCY B 4 1.841 5.283 2.351 1.00 0.00 H new HETATM 0 H5A3 MCY B 4 0.063 3.772 5.277 1.00 0.00 H new HETATM 0 H5A2 MCY B 4 -0.270 5.514 5.427 1.00 0.00 H new HETATM 0 H5A1 MCY B 4 -1.567 4.331 5.718 1.00 0.00 H new HETATM 0 H5'' MCY B 4 -6.814 6.750 3.363 1.00 0.00 H new HETATM 0 H2'' MCY B 4 -4.825 2.134 1.689 1.00 0.00 H new HETATM 0 H6 MCY B 4 -3.088 4.179 4.028 1.00 0.00 H new HETATM 0 H5' MCY B 4 -6.970 5.365 4.425 1.00 0.00 H new HETATM 0 H4' MCY B 4 -6.979 4.982 1.879 1.00 0.00 H new HETATM 0 H3' MCY B 4 -5.862 3.405 4.065 1.00 0.00 H new HETATM 0 H2' MCY B 4 -3.929 2.651 3.103 1.00 0.00 H new HETATM 0 H1' MCY B 4 -4.035 3.916 0.492 1.00 0.00 H new ATOM 127 P DC B 5 -7.221 2.122 1.081 1.00 0.00 P ATOM 128 OP1 DC B 5 -6.732 3.178 0.170 1.00 0.00 O ATOM 129 OP2 DC B 5 -8.598 1.600 0.933 1.00 0.00 O ATOM 130 O5' DC B 5 -6.197 0.873 1.005 1.00 0.00 O ATOM 131 C5' DC B 5 -5.942 0.058 2.158 1.00 0.00 C ATOM 132 C4' DC B 5 -5.942 -1.429 1.812 1.00 0.00 C ATOM 133 O4' DC B 5 -4.775 -1.784 1.031 1.00 0.00 O ATOM 134 C3' DC B 5 -5.942 -2.277 3.078 1.00 0.00 C ATOM 135 O3' DC B 5 -7.228 -2.884 3.288 1.00 0.00 O ATOM 136 C2' DC B 5 -4.868 -3.304 2.873 1.00 0.00 C ATOM 137 C1' DC B 5 -4.036 -2.841 1.684 1.00 0.00 C ATOM 138 N1 DC B 5 -2.661 -2.366 2.037 1.00 0.00 N ATOM 139 C2 DC B 5 -1.813 -2.037 0.966 1.00 0.00 C ATOM 140 O2 DC B 5 -2.211 -1.961 -0.204 1.00 0.00 O ATOM 141 N3 DC B 5 -0.506 -1.741 1.300 1.00 0.00 N ATOM 142 C4 DC B 5 -0.041 -1.751 2.581 1.00 0.00 C ATOM 143 N4 DC B 5 1.252 -1.479 2.785 1.00 0.00 N ATOM 144 C5 DC B 5 -0.918 -2.063 3.653 1.00 0.00 C ATOM 145 C6 DC B 5 -2.210 -2.357 3.342 1.00 0.00 C ATOM 0 H5' DC B 5 -6.699 0.255 2.917 1.00 0.00 H new ATOM 0 H5'' DC B 5 -4.979 0.331 2.590 1.00 0.00 H new ATOM 0 H4' DC B 5 -6.844 -1.622 1.232 1.00 0.00 H new ATOM 0 H3' DC B 5 -5.748 -1.680 3.969 1.00 0.00 H new ATOM 0 H2' DC B 5 -4.248 -3.398 3.765 1.00 0.00 H new ATOM 0 H2'' DC B 5 -5.303 -4.285 2.682 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.876 -3.700 1.032 1.00 0.00 H new ATOM 0 H41 DC B 5 1.630 -1.479 3.732 1.00 0.00 H new ATOM 0 H42 DC B 5 1.861 -1.272 1.993 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.573 -2.067 4.676 1.00 0.00 H new ATOM 0 H6 DC B 5 -2.902 -2.590 4.138 1.00 0.00 H new ATOM 157 P DT B 6 -7.404 -4.208 4.198 1.00 0.00 P ATOM 158 OP1 DT B 6 -8.800 -4.247 4.688 1.00 0.00 O ATOM 159 OP2 DT B 6 -6.283 -4.267 5.164 1.00 0.00 O ATOM 160 O5' DT B 6 -7.217 -5.396 3.121 1.00 0.00 O ATOM 161 C5' DT B 6 -6.228 -6.416 3.303 1.00 0.00 C ATOM 162 C4' DT B 6 -5.564 -6.787 1.974 1.00 0.00 C ATOM 163 O4' DT B 6 -4.134 -6.592 2.031 1.00 0.00 O ATOM 164 C3' DT B 6 -5.823 -8.243 1.608 1.00 0.00 C ATOM 165 O3' DT B 6 -6.782 -8.341 0.549 1.00 0.00 O ATOM 166 C2' DT B 6 -4.491 -8.805 1.182 1.00 0.00 C ATOM 167 C1' DT B 6 -3.453 -7.724 1.445 1.00 0.00 C ATOM 168 N1 DT B 6 -2.379 -8.219 2.338 1.00 0.00 N ATOM 169 C2 DT B 6 -1.071 -7.994 1.946 1.00 0.00 C ATOM 170 O2 DT B 6 -0.792 -7.423 0.896 1.00 0.00 O ATOM 171 N3 DT B 6 -0.090 -8.453 2.805 1.00 0.00 N ATOM 172 C4 DT B 6 -0.299 -9.108 4.005 1.00 0.00 C ATOM 173 O4 DT B 6 0.653 -9.474 4.692 1.00 0.00 O ATOM 174 C5 DT B 6 -1.695 -9.301 4.334 1.00 0.00 C ATOM 175 C7 DT B 6 -2.070 -10.004 5.636 1.00 0.00 C ATOM 176 C6 DT B 6 -2.671 -8.863 3.512 1.00 0.00 C ATOM 0 H5' DT B 6 -6.690 -7.301 3.741 1.00 0.00 H new ATOM 0 H5'' DT B 6 -5.471 -6.071 4.007 1.00 0.00 H new ATOM 0 H4' DT B 6 -6.001 -6.133 1.220 1.00 0.00 H new ATOM 0 H3' DT B 6 -6.237 -8.797 2.450 1.00 0.00 H new ATOM 0 H2' DT B 6 -4.257 -9.710 1.742 1.00 0.00 H new ATOM 0 H2'' DT B 6 -4.506 -9.078 0.127 1.00 0.00 H new ATOM 0 HO3' DT B 6 -6.393 -7.989 -0.279 1.00 0.00 H new ATOM 0 H1' DT B 6 -2.974 -7.432 0.511 1.00 0.00 H new ATOM 0 H3 DT B 6 0.879 -8.294 2.528 1.00 0.00 H new ATOM 0 H71 DT B 6 -3.027 -9.623 5.992 1.00 0.00 H new ATOM 0 H72 DT B 6 -2.149 -11.077 5.461 1.00 0.00 H new ATOM 0 H73 DT B 6 -1.302 -9.814 6.386 1.00 0.00 H new ATOM 0 H6 DT B 6 -3.704 -9.023 3.785 1.00 0.00 H new TER 190 DT B 6 HETATM 191 N1 MCY C 7 -2.814 -4.360 -1.873 1.00 0.00 N HETATM 192 C2 MCY C 7 -1.846 -4.651 -0.935 1.00 0.00 C HETATM 193 N3 MCY C 7 -0.608 -4.970 -1.394 1.00 0.00 N HETATM 194 C4 MCY C 7 -0.332 -5.009 -2.709 1.00 0.00 C HETATM 195 C5 MCY C 7 -1.299 -4.738 -3.607 1.00 0.00 C HETATM 196 C6 MCY C 7 -2.528 -4.424 -3.185 1.00 0.00 C HETATM 197 O2 MCY C 7 -2.116 -4.667 0.268 1.00 0.00 O HETATM 198 N4 MCY C 7 0.901 -5.310 -3.119 1.00 0.00 N HETATM 199 C1' MCY C 7 -4.128 -3.864 -1.404 1.00 0.00 C HETATM 200 C2' MCY C 7 -4.809 -2.979 -2.434 1.00 0.00 C HETATM 201 C3' MCY C 7 -6.119 -3.639 -2.774 1.00 0.00 C HETATM 202 C4' MCY C 7 -6.242 -4.839 -1.838 1.00 0.00 C HETATM 203 O4' MCY C 7 -5.012 -4.956 -1.091 1.00 0.00 O HETATM 204 O3' MCY C 7 -7.211 -2.729 -2.591 1.00 0.00 O HETATM 205 C5' MCY C 7 -6.524 -6.127 -2.614 1.00 0.00 C HETATM 206 O5' MCY C 7 -5.677 -7.196 -2.183 1.00 0.00 O HETATM 207 C5A MCY C 7 -0.990 -4.749 -5.100 1.00 0.00 C HETATM 0 HO5' MCY C 7 -4.934 -6.833 -1.657 1.00 0.00 H new HETATM 0 HN42 MCY C 7 1.114 -5.340 -4.116 1.00 0.00 H new HETATM 0 HN41 MCY C 7 1.631 -5.510 -2.435 1.00 0.00 H new HETATM 0 H5A3 MCY C 7 -0.220 -4.009 -5.318 1.00 0.00 H new HETATM 0 H5A2 MCY C 7 -0.636 -5.738 -5.391 1.00 0.00 H new HETATM 0 H5A1 MCY C 7 -1.893 -4.508 -5.660 1.00 0.00 H new HETATM 0 H5'' MCY C 7 -7.568 -6.412 -2.481 1.00 0.00 H new HETATM 0 H2'' MCY C 7 -4.972 -1.977 -2.036 1.00 0.00 H new HETATM 0 H6 MCY C 7 -3.310 -4.217 -3.916 1.00 0.00 H new HETATM 0 H5' MCY C 7 -6.375 -5.951 -3.679 1.00 0.00 H new HETATM 0 H4' MCY C 7 -7.082 -4.685 -1.161 1.00 0.00 H new HETATM 0 H3' MCY C 7 -6.149 -3.949 -3.818 1.00 0.00 H new HETATM 0 H2' MCY C 7 -4.188 -2.872 -3.323 1.00 0.00 H new HETATM 0 H1' MCY C 7 -3.926 -3.275 -0.509 1.00 0.00 H new ATOM 222 P DC C 8 -7.863 -1.960 -3.848 1.00 0.00 P ATOM 223 OP1 DC C 8 -9.329 -2.152 -3.795 1.00 0.00 O ATOM 224 OP2 DC C 8 -7.115 -2.338 -5.069 1.00 0.00 O ATOM 225 O5' DC C 8 -7.548 -0.414 -3.522 1.00 0.00 O ATOM 226 C5' DC C 8 -6.200 0.070 -3.455 1.00 0.00 C ATOM 227 C4' DC C 8 -6.011 1.003 -2.261 1.00 0.00 C ATOM 228 O4' DC C 8 -4.739 0.781 -1.609 1.00 0.00 O ATOM 229 C3' DC C 8 -6.072 2.459 -2.691 1.00 0.00 C ATOM 230 O3' DC C 8 -7.327 3.044 -2.322 1.00 0.00 O ATOM 231 C2' DC C 8 -4.918 3.139 -1.999 1.00 0.00 C ATOM 232 C1' DC C 8 -4.090 2.043 -1.337 1.00 0.00 C ATOM 233 N1 DC C 8 -2.687 2.024 -1.823 1.00 0.00 N ATOM 234 C2 DC C 8 -1.707 1.681 -0.899 1.00 0.00 C ATOM 235 O2 DC C 8 -2.014 1.423 0.268 1.00 0.00 O ATOM 236 N3 DC C 8 -0.413 1.636 -1.316 1.00 0.00 N ATOM 237 C4 DC C 8 -0.084 1.914 -2.582 1.00 0.00 C ATOM 238 N4 DC C 8 1.189 1.817 -2.965 1.00 0.00 N ATOM 239 C5 DC C 8 -1.082 2.272 -3.539 1.00 0.00 C ATOM 240 C6 DC C 8 -2.367 2.313 -3.122 1.00 0.00 C ATOM 0 H5' DC C 8 -5.954 0.598 -4.376 1.00 0.00 H new ATOM 0 H5'' DC C 8 -5.511 -0.771 -3.376 1.00 0.00 H new ATOM 0 H4' DC C 8 -6.821 0.784 -1.566 1.00 0.00 H new ATOM 0 H3' DC C 8 -5.996 2.566 -3.773 1.00 0.00 H new ATOM 0 H2' DC C 8 -4.315 3.700 -2.714 1.00 0.00 H new ATOM 0 H2'' DC C 8 -5.278 3.852 -1.257 1.00 0.00 H new ATOM 0 H1' DC C 8 -4.037 2.232 -0.265 1.00 0.00 H new ATOM 0 H41 DC C 8 1.449 2.027 -3.929 1.00 0.00 H new ATOM 0 H42 DC C 8 1.903 1.533 -2.294 1.00 0.00 H new ATOM 0 H5 DC C 8 -0.819 2.502 -4.561 1.00 0.00 H new ATOM 0 H6 DC C 8 -3.148 2.576 -3.820 1.00 0.00 H new ATOM 252 P DT C 9 -7.682 4.563 -2.723 1.00 0.00 P ATOM 253 OP1 DT C 9 -9.115 4.794 -2.435 1.00 0.00 O ATOM 254 OP2 DT C 9 -7.151 4.821 -4.081 1.00 0.00 O ATOM 255 O5' DT C 9 -6.812 5.411 -1.665 1.00 0.00 O ATOM 256 C5' DT C 9 -5.916 6.431 -2.109 1.00 0.00 C ATOM 257 C4' DT C 9 -4.997 6.897 -0.978 1.00 0.00 C ATOM 258 O4' DT C 9 -3.607 6.743 -1.337 1.00 0.00 O ATOM 259 C3' DT C 9 -5.234 8.362 -0.637 1.00 0.00 C ATOM 260 O3' DT C 9 -5.927 8.488 0.609 1.00 0.00 O ATOM 261 C2' DT C 9 -3.868 8.996 -0.563 1.00 0.00 C ATOM 262 C1' DT C 9 -2.865 7.934 -0.987 1.00 0.00 C ATOM 263 N1 DT C 9 -2.040 8.395 -2.129 1.00 0.00 N ATOM 264 C2 DT C 9 -0.669 8.227 -2.034 1.00 0.00 C ATOM 265 O2 DT C 9 -0.134 7.754 -1.035 1.00 0.00 O ATOM 266 N3 DT C 9 0.071 8.633 -3.128 1.00 0.00 N ATOM 267 C4 DT C 9 -0.431 9.185 -4.293 1.00 0.00 C ATOM 268 O4 DT C 9 0.324 9.507 -5.208 1.00 0.00 O ATOM 269 C5 DT C 9 -1.870 9.327 -4.303 1.00 0.00 C ATOM 270 C7 DT C 9 -2.560 9.914 -5.532 1.00 0.00 C ATOM 271 C6 DT C 9 -2.615 8.940 -3.248 1.00 0.00 C ATOM 0 H5' DT C 9 -6.486 7.278 -2.489 1.00 0.00 H new ATOM 0 H5'' DT C 9 -5.315 6.055 -2.937 1.00 0.00 H new ATOM 0 H4' DT C 9 -5.230 6.274 -0.114 1.00 0.00 H new ATOM 0 H3' DT C 9 -5.856 8.851 -1.387 1.00 0.00 H new ATOM 0 H2' DT C 9 -3.810 9.866 -1.218 1.00 0.00 H new ATOM 0 H2'' DT C 9 -3.658 9.344 0.448 1.00 0.00 H new ATOM 0 HO3' DT C 9 -6.068 9.437 0.811 1.00 0.00 H new ATOM 0 H1' DT C 9 -2.177 7.727 -0.167 1.00 0.00 H new ATOM 0 H3 DT C 9 1.083 8.515 -3.071 1.00 0.00 H new ATOM 0 H71 DT C 9 -3.559 9.489 -5.626 1.00 0.00 H new ATOM 0 H72 DT C 9 -2.634 10.996 -5.425 1.00 0.00 H new ATOM 0 H73 DT C 9 -1.980 9.676 -6.423 1.00 0.00 H new ATOM 0 H6 DT C 9 -3.687 9.062 -3.285 1.00 0.00 H new TER 285 DT C 9 HETATM 286 N1 MCY D 10 2.767 4.884 -1.705 1.00 0.00 N HETATM 287 C2 MCY D 10 1.812 4.901 -0.712 1.00 0.00 C HETATM 288 N3 MCY D 10 0.516 5.034 -1.096 1.00 0.00 N HETATM 289 C4 MCY D 10 0.175 5.150 -2.392 1.00 0.00 C HETATM 290 C5 MCY D 10 1.126 5.133 -3.348 1.00 0.00 C HETATM 291 C6 MCY D 10 2.412 4.997 -3.001 1.00 0.00 C HETATM 292 O2 MCY D 10 2.135 4.805 0.472 1.00 0.00 O HETATM 293 N4 MCY D 10 -1.104 5.306 -2.728 1.00 0.00 N HETATM 294 C1' MCY D 10 4.183 4.748 -1.317 1.00 0.00 C HETATM 295 C2' MCY D 10 4.900 3.755 -2.223 1.00 0.00 C HETATM 296 C3' MCY D 10 6.085 4.478 -2.811 1.00 0.00 C HETATM 297 C4' MCY D 10 6.090 5.863 -2.175 1.00 0.00 C HETATM 298 O4' MCY D 10 4.870 6.014 -1.417 1.00 0.00 O HETATM 299 O3' MCY D 10 7.303 3.780 -2.524 1.00 0.00 O HETATM 300 C5' MCY D 10 6.215 6.961 -3.231 1.00 0.00 C HETATM 301 O5' MCY D 10 7.408 7.727 -3.048 1.00 0.00 O HETATM 302 C5A MCY D 10 0.742 5.278 -4.820 1.00 0.00 C HETATM 0 HO5' MCY D 10 7.461 8.420 -3.739 1.00 0.00 H new HETATM 0 HN42 MCY D 10 -1.366 5.394 -3.710 1.00 0.00 H new HETATM 0 HN41 MCY D 10 -1.821 5.337 -2.004 1.00 0.00 H new HETATM 0 H5A3 MCY D 10 0.074 4.465 -5.103 1.00 0.00 H new HETATM 0 H5A2 MCY D 10 0.237 6.232 -4.972 1.00 0.00 H new HETATM 0 H5A1 MCY D 10 1.641 5.241 -5.436 1.00 0.00 H new HETATM 0 H5'' MCY D 10 6.217 6.514 -4.225 1.00 0.00 H new HETATM 0 H2'' MCY D 10 5.222 2.880 -1.659 1.00 0.00 H new HETATM 0 H6 MCY D 10 3.180 4.977 -3.774 1.00 0.00 H new HETATM 0 H5' MCY D 10 5.347 7.618 -3.179 1.00 0.00 H new HETATM 0 H4' MCY D 10 6.954 5.960 -1.517 1.00 0.00 H new HETATM 0 H3' MCY D 10 6.013 4.540 -3.897 1.00 0.00 H new HETATM 0 H2' MCY D 10 4.235 3.400 -3.010 1.00 0.00 H new HETATM 0 H1' MCY D 10 4.198 4.395 -0.286 1.00 0.00 H new ATOM 317 P DC D 11 7.661 2.399 -3.274 1.00 0.00 P ATOM 318 OP1 DC D 11 9.009 1.972 -2.836 1.00 0.00 O ATOM 319 OP2 DC D 11 7.373 2.567 -4.716 1.00 0.00 O ATOM 320 O5' DC D 11 6.583 1.371 -2.658 1.00 0.00 O ATOM 321 C5' DC D 11 6.183 0.204 -3.385 1.00 0.00 C ATOM 322 C4' DC D 11 5.994 -0.994 -2.457 1.00 0.00 C ATOM 323 O4' DC D 11 4.766 -0.877 -1.704 1.00 0.00 O ATOM 324 C3' DC D 11 5.940 -2.298 -3.242 1.00 0.00 C ATOM 325 O3' DC D 11 7.167 -3.030 -3.116 1.00 0.00 O ATOM 326 C2' DC D 11 4.784 -3.073 -2.663 1.00 0.00 C ATOM 327 C1' DC D 11 4.058 -2.134 -1.710 1.00 0.00 C ATOM 328 N1 DC D 11 2.638 -1.940 -2.086 1.00 0.00 N ATOM 329 C2 DC D 11 1.741 -1.712 -1.053 1.00 0.00 C ATOM 330 O2 DC D 11 2.136 -1.671 0.113 1.00 0.00 O ATOM 331 N3 DC D 11 0.431 -1.531 -1.363 1.00 0.00 N ATOM 332 C4 DC D 11 0.011 -1.567 -2.631 1.00 0.00 C ATOM 333 N4 DC D 11 -1.275 -1.349 -2.898 1.00 0.00 N ATOM 334 C5 DC D 11 0.927 -1.802 -3.703 1.00 0.00 C ATOM 335 C6 DC D 11 2.226 -1.983 -3.387 1.00 0.00 C ATOM 0 H5' DC D 11 6.935 -0.032 -4.138 1.00 0.00 H new ATOM 0 H5'' DC D 11 5.252 0.405 -3.916 1.00 0.00 H new ATOM 0 H4' DC D 11 6.849 -1.004 -1.781 1.00 0.00 H new ATOM 0 H3' DC D 11 5.806 -2.116 -4.308 1.00 0.00 H new ATOM 0 H2' DC D 11 4.115 -3.416 -3.452 1.00 0.00 H new ATOM 0 H2'' DC D 11 5.138 -3.960 -2.137 1.00 0.00 H new ATOM 0 H1' DC D 11 4.047 -2.573 -0.712 1.00 0.00 H new ATOM 0 H41 DC D 11 -1.607 -1.374 -3.862 1.00 0.00 H new ATOM 0 H42 DC D 11 -1.928 -1.157 -2.138 1.00 0.00 H new ATOM 0 H5 DC D 11 0.591 -1.834 -4.729 1.00 0.00 H new ATOM 0 H6 DC D 11 2.947 -2.164 -4.171 1.00 0.00 H new ATOM 347 P DT D 12 7.318 -4.505 -3.753 1.00 0.00 P ATOM 348 OP1 DT D 12 8.758 -4.838 -3.813 1.00 0.00 O ATOM 349 OP2 DT D 12 6.493 -4.568 -4.981 1.00 0.00 O ATOM 350 O5' DT D 12 6.632 -5.438 -2.631 1.00 0.00 O ATOM 351 C5' DT D 12 5.712 -6.473 -2.994 1.00 0.00 C ATOM 352 C4' DT D 12 4.882 -6.922 -1.791 1.00 0.00 C ATOM 353 O4' DT D 12 3.470 -6.752 -2.038 1.00 0.00 O ATOM 354 C3' DT D 12 5.130 -8.387 -1.458 1.00 0.00 C ATOM 355 O3' DT D 12 5.909 -8.509 -0.265 1.00 0.00 O ATOM 356 C2' DT D 12 3.766 -9.006 -1.279 1.00 0.00 C ATOM 357 C1' DT D 12 2.745 -7.934 -1.632 1.00 0.00 C ATOM 358 N1 DT D 12 1.836 -8.391 -2.710 1.00 0.00 N ATOM 359 C2 DT D 12 0.480 -8.165 -2.541 1.00 0.00 C ATOM 360 O2 DT D 12 0.025 -7.632 -1.534 1.00 0.00 O ATOM 361 N3 DT D 12 -0.340 -8.584 -3.572 1.00 0.00 N ATOM 362 C4 DT D 12 0.071 -9.204 -4.739 1.00 0.00 C ATOM 363 O4 DT D 12 -0.749 -9.537 -5.592 1.00 0.00 O ATOM 364 C5 DT D 12 1.502 -9.402 -4.827 1.00 0.00 C ATOM 365 C7 DT D 12 2.093 -10.081 -6.060 1.00 0.00 C ATOM 366 C6 DT D 12 2.322 -9.000 -3.836 1.00 0.00 C ATOM 0 H5' DT D 12 6.259 -7.324 -3.399 1.00 0.00 H new ATOM 0 H5'' DT D 12 5.050 -6.115 -3.782 1.00 0.00 H new ATOM 0 H4' DT D 12 5.191 -6.298 -0.953 1.00 0.00 H new ATOM 0 H3' DT D 12 5.691 -8.888 -2.247 1.00 0.00 H new ATOM 0 H2' DT D 12 3.650 -9.877 -1.923 1.00 0.00 H new ATOM 0 H2'' DT D 12 3.628 -9.348 -0.253 1.00 0.00 H new ATOM 0 HO3' DT D 12 6.057 -9.457 -0.066 1.00 0.00 H new ATOM 0 H1' DT D 12 2.121 -7.717 -0.765 1.00 0.00 H new ATOM 0 H3 DT D 12 -1.341 -8.421 -3.462 1.00 0.00 H new ATOM 0 H71 DT D 12 3.099 -9.701 -6.237 1.00 0.00 H new ATOM 0 H72 DT D 12 2.135 -11.158 -5.897 1.00 0.00 H new ATOM 0 H73 DT D 12 1.467 -9.869 -6.927 1.00 0.00 H new ATOM 0 H6 DT D 12 3.386 -9.162 -3.932 1.00 0.00 H new TER 380 DT D 12