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 Single : A 1 MCY O5' : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD Single : C 7 MCY O5' : rot 180:sc= -0.0851 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= -0.534 USER MOD Single : D 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 MCY A 1 2.880 -4.530 2.043 1.00 0.00 N HETATM 2 C2 MCY A 1 2.104 -4.904 0.971 1.00 0.00 C HETATM 3 N3 MCY A 1 0.796 -5.164 1.207 1.00 0.00 N HETATM 4 C4 MCY A 1 0.267 -5.064 2.438 1.00 0.00 C HETATM 5 C5 MCY A 1 1.044 -4.696 3.484 1.00 0.00 C HETATM 6 C6 MCY A 1 2.346 -4.434 3.281 1.00 0.00 C HETATM 7 O2 MCY A 1 2.592 -4.997 -0.153 1.00 0.00 O HETATM 8 N4 MCY A 1 -1.023 -5.349 2.617 1.00 0.00 N HETATM 9 C1' MCY A 1 4.298 -4.217 1.796 1.00 0.00 C HETATM 10 C2' MCY A 1 4.714 -2.950 2.537 1.00 0.00 C HETATM 11 C3' MCY A 1 5.871 -3.326 3.426 1.00 0.00 C HETATM 12 C4' MCY A 1 6.123 -4.811 3.191 1.00 0.00 C HETATM 13 O4' MCY A 1 5.146 -5.294 2.243 1.00 0.00 O HETATM 14 O3' MCY A 1 7.037 -2.539 3.126 1.00 0.00 O HETATM 15 C5' MCY A 1 6.027 -5.591 4.500 1.00 0.00 C HETATM 16 O5' MCY A 1 4.666 -5.794 4.892 1.00 0.00 O HETATM 17 C5A MCY A 1 0.447 -4.550 4.884 1.00 0.00 C HETATM 0 HO5' MCY A 1 4.639 -6.298 5.732 1.00 0.00 H new HETATM 0 HN42 MCY A 1 -1.437 -5.277 3.546 1.00 0.00 H new HETATM 0 HN41 MCY A 1 -1.596 -5.639 1.825 1.00 0.00 H new HETATM 0 H5A3 MCY A 1 -0.337 -3.793 4.868 1.00 0.00 H new HETATM 0 H5A2 MCY A 1 0.025 -5.504 5.201 1.00 0.00 H new HETATM 0 H5A1 MCY A 1 1.227 -4.249 5.583 1.00 0.00 H new HETATM 0 H5'' MCY A 1 6.522 -6.556 4.387 1.00 0.00 H new HETATM 0 H2'' MCY A 1 5.004 -2.169 1.834 1.00 0.00 H new HETATM 0 H6 MCY A 1 2.976 -4.142 4.121 1.00 0.00 H new HETATM 0 H5' MCY A 1 6.556 -5.052 5.286 1.00 0.00 H new HETATM 0 H4' MCY A 1 7.129 -4.954 2.796 1.00 0.00 H new HETATM 0 H3' MCY A 1 5.642 -3.131 4.474 1.00 0.00 H new HETATM 0 H2' MCY A 1 3.885 -2.557 3.126 1.00 0.00 H new HETATM 0 H1' MCY A 1 4.412 -4.073 0.722 1.00 0.00 H new ATOM 32 P DC A 2 7.750 -2.578 1.674 1.00 0.00 P ATOM 33 OP1 DC A 2 6.988 -3.493 0.793 1.00 0.00 O ATOM 34 OP2 DC A 2 9.199 -2.795 1.879 1.00 0.00 O ATOM 35 O5' DC A 2 7.542 -1.075 1.128 1.00 0.00 O ATOM 36 C5' DC A 2 7.049 -0.033 1.978 1.00 0.00 C ATOM 37 C4' DC A 2 6.552 1.151 1.157 1.00 0.00 C ATOM 38 O4' DC A 2 5.202 0.935 0.696 1.00 0.00 O ATOM 39 C3' DC A 2 6.558 2.438 1.967 1.00 0.00 C ATOM 40 O3' DC A 2 7.727 3.222 1.699 1.00 0.00 O ATOM 41 C2' DC A 2 5.308 3.169 1.553 1.00 0.00 C ATOM 42 C1' DC A 2 4.460 2.169 0.773 1.00 0.00 C ATOM 43 N1 DC A 2 3.122 1.957 1.383 1.00 0.00 N ATOM 44 C2 DC A 2 2.095 1.587 0.515 1.00 0.00 C ATOM 45 O2 DC A 2 2.285 1.400 -0.685 1.00 0.00 O ATOM 46 N3 DC A 2 0.848 1.430 1.085 1.00 0.00 N ATOM 47 C4 DC A 2 0.608 1.619 2.414 1.00 0.00 C ATOM 48 N4 DC A 2 -0.631 1.407 2.864 1.00 0.00 N ATOM 49 C5 DC A 2 1.667 1.992 3.285 1.00 0.00 C ATOM 50 C6 DC A 2 2.902 2.148 2.735 1.00 0.00 C ATOM 0 H5' DC A 2 7.839 0.294 2.654 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.238 -0.417 2.597 1.00 0.00 H new ATOM 0 H4' DC A 2 7.233 1.241 0.311 1.00 0.00 H new ATOM 0 H3' DC A 2 6.577 2.237 3.038 1.00 0.00 H new ATOM 0 H2' DC A 2 4.768 3.539 2.425 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.551 4.035 0.937 1.00 0.00 H new ATOM 0 H1' DC A 2 4.265 2.563 -0.224 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.844 1.539 3.853 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.364 1.113 2.219 1.00 0.00 H new ATOM 0 H5 DC A 2 1.499 2.145 4.341 1.00 0.00 H new ATOM 0 H6 DC A 2 3.730 2.428 3.369 1.00 0.00 H new ATOM 62 P DT A 3 8.175 4.403 2.704 1.00 0.00 P ATOM 63 OP1 DT A 3 8.455 5.613 1.898 1.00 0.00 O ATOM 64 OP2 DT A 3 9.213 3.867 3.613 1.00 0.00 O ATOM 65 O5' DT A 3 6.838 4.669 3.567 1.00 0.00 O ATOM 66 C5' DT A 3 6.705 5.843 4.376 1.00 0.00 C ATOM 67 C4' DT A 3 6.260 7.047 3.546 1.00 0.00 C ATOM 68 O4' DT A 3 4.864 6.954 3.188 1.00 0.00 O ATOM 69 C3' DT A 3 6.452 8.350 4.308 1.00 0.00 C ATOM 70 O3' DT A 3 7.638 9.026 3.880 1.00 0.00 O ATOM 71 C2' DT A 3 5.222 9.173 4.018 1.00 0.00 C ATOM 72 C1' DT A 3 4.244 8.255 3.293 1.00 0.00 C ATOM 73 N1 DT A 3 2.943 8.170 4.002 1.00 0.00 N ATOM 74 C2 DT A 3 1.799 8.116 3.222 1.00 0.00 C ATOM 75 O2 DT A 3 1.841 8.131 1.992 1.00 0.00 O ATOM 76 N3 DT A 3 0.599 8.043 3.905 1.00 0.00 N ATOM 77 C4 DT A 3 0.442 8.018 5.278 1.00 0.00 C ATOM 78 O4 DT A 3 -0.679 7.953 5.779 1.00 0.00 O ATOM 79 C5 DT A 3 1.685 8.077 6.013 1.00 0.00 C ATOM 80 C7 DT A 3 1.657 8.059 7.538 1.00 0.00 C ATOM 81 C6 DT A 3 2.871 8.149 5.373 1.00 0.00 C ATOM 0 H5' DT A 3 7.657 6.064 4.858 1.00 0.00 H new ATOM 0 H5'' DT A 3 5.981 5.659 5.170 1.00 0.00 H new ATOM 0 H4' DT A 3 6.879 7.042 2.649 1.00 0.00 H new ATOM 0 H3' DT A 3 6.574 8.176 5.377 1.00 0.00 H new ATOM 0 H2' DT A 3 4.784 9.554 4.941 1.00 0.00 H new ATOM 0 H2'' DT A 3 5.471 10.038 3.403 1.00 0.00 H new ATOM 0 HO3' DT A 3 7.738 9.861 4.383 1.00 0.00 H new ATOM 0 H1' DT A 3 4.026 8.655 2.303 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.251 8.004 3.342 1.00 0.00 H new ATOM 0 H71 DT A 3 2.566 7.589 7.913 1.00 0.00 H new ATOM 0 H72 DT A 3 1.595 9.081 7.913 1.00 0.00 H new ATOM 0 H73 DT A 3 0.790 7.494 7.879 1.00 0.00 H new ATOM 0 H6 DT A 3 3.782 8.191 5.951 1.00 0.00 H new TER 95 DT A 3 HETATM 96 N1 MCY B 4 -2.561 4.530 2.032 1.00 0.00 N HETATM 97 C2 MCY B 4 -1.752 4.727 0.934 1.00 0.00 C HETATM 98 N3 MCY B 4 -0.429 4.929 1.162 1.00 0.00 N HETATM 99 C4 MCY B 4 0.075 4.938 2.410 1.00 0.00 C HETATM 100 C5 MCY B 4 -0.737 4.743 3.472 1.00 0.00 C HETATM 101 C6 MCY B 4 -2.045 4.539 3.277 1.00 0.00 C HETATM 102 O2 MCY B 4 -2.223 4.723 -0.205 1.00 0.00 O HETATM 103 N4 MCY B 4 1.375 5.159 2.591 1.00 0.00 N HETATM 104 C1' MCY B 4 -4.002 4.315 1.816 1.00 0.00 C HETATM 105 C2' MCY B 4 -4.520 3.184 2.696 1.00 0.00 C HETATM 106 C3' MCY B 4 -5.638 3.754 3.529 1.00 0.00 C HETATM 107 C4' MCY B 4 -5.761 5.218 3.129 1.00 0.00 C HETATM 108 O4' MCY B 4 -4.750 5.506 2.138 1.00 0.00 O HETATM 109 O3' MCY B 4 -6.866 3.056 3.285 1.00 0.00 O HETATM 110 C5' MCY B 4 -5.598 6.128 4.344 1.00 0.00 C HETATM 111 O5' MCY B 4 -4.287 6.027 4.905 1.00 0.00 O HETATM 112 C5A MCY B 4 -0.173 4.754 4.891 1.00 0.00 C HETATM 0 HO5' MCY B 4 -4.216 6.623 5.679 1.00 0.00 H new HETATM 0 HN42 MCY B 4 1.764 5.167 3.534 1.00 0.00 H new HETATM 0 HN41 MCY B 4 1.982 5.320 1.787 1.00 0.00 H new HETATM 0 H5A3 MCY B 4 0.576 3.968 4.991 1.00 0.00 H new HETATM 0 H5A2 MCY B 4 0.287 5.721 5.092 1.00 0.00 H new HETATM 0 H5A1 MCY B 4 -0.979 4.580 5.604 1.00 0.00 H new HETATM 0 H5'' MCY B 4 -5.792 7.161 4.054 1.00 0.00 H new HETATM 0 H2'' MCY B 4 -4.877 2.354 2.087 1.00 0.00 H new HETATM 0 H6 MCY B 4 -2.700 4.379 4.134 1.00 0.00 H new HETATM 0 H5' MCY B 4 -6.339 5.864 5.099 1.00 0.00 H new HETATM 0 H4' MCY B 4 -6.751 5.403 2.713 1.00 0.00 H new HETATM 0 H3' MCY B 4 -5.427 3.650 4.593 1.00 0.00 H new HETATM 0 H2' MCY B 4 -3.725 2.794 3.332 1.00 0.00 H new HETATM 0 H1' MCY B 4 -4.135 4.061 0.765 1.00 0.00 H new ATOM 127 P DC B 5 -7.162 1.626 3.971 1.00 0.00 P ATOM 128 OP1 DC B 5 -8.527 1.662 4.541 1.00 0.00 O ATOM 129 OP2 DC B 5 -6.012 1.273 4.836 1.00 0.00 O ATOM 130 O5' DC B 5 -7.173 0.626 2.707 1.00 0.00 O ATOM 131 C5' DC B 5 -5.955 0.084 2.185 1.00 0.00 C ATOM 132 C4' DC B 5 -6.131 -1.368 1.752 1.00 0.00 C ATOM 133 O4' DC B 5 -5.025 -1.795 0.920 1.00 0.00 O ATOM 134 C3' DC B 5 -6.198 -2.287 2.965 1.00 0.00 C ATOM 135 O3' DC B 5 -7.503 -2.862 3.108 1.00 0.00 O ATOM 136 C2' DC B 5 -5.161 -3.347 2.726 1.00 0.00 C ATOM 137 C1' DC B 5 -4.292 -2.852 1.573 1.00 0.00 C ATOM 138 N1 DC B 5 -2.948 -2.352 1.989 1.00 0.00 N ATOM 139 C2 DC B 5 -2.073 -1.966 0.964 1.00 0.00 C ATOM 140 O2 DC B 5 -2.410 -1.938 -0.223 1.00 0.00 O ATOM 141 N3 DC B 5 -0.808 -1.583 1.362 1.00 0.00 N ATOM 142 C4 DC B 5 -0.410 -1.570 2.666 1.00 0.00 C ATOM 143 N4 DC B 5 0.847 -1.210 2.933 1.00 0.00 N ATOM 144 C5 DC B 5 -1.317 -1.951 3.691 1.00 0.00 C ATOM 145 C6 DC B 5 -2.564 -2.329 3.311 1.00 0.00 C ATOM 0 H5' DC B 5 -5.173 0.147 2.942 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.624 0.681 1.335 1.00 0.00 H new ATOM 0 H4' DC B 5 -7.062 -1.428 1.188 1.00 0.00 H new ATOM 0 H3' DC B 5 -6.008 -1.743 3.890 1.00 0.00 H new ATOM 0 H2' DC B 5 -4.561 -3.511 3.621 1.00 0.00 H new ATOM 0 H2'' DC B 5 -5.630 -4.299 2.477 1.00 0.00 H new ATOM 0 H1' DC B 5 -4.091 -3.696 0.913 1.00 0.00 H new ATOM 0 H41 DC B 5 1.178 -1.189 3.898 1.00 0.00 H new ATOM 0 H42 DC B 5 1.477 -0.955 2.172 1.00 0.00 H new ATOM 0 H5 DC B 5 -1.026 -1.940 4.731 1.00 0.00 H new ATOM 0 H6 DC B 5 -3.277 -2.621 4.068 1.00 0.00 H new ATOM 157 P DT B 6 -7.862 -3.783 4.383 1.00 0.00 P ATOM 158 OP1 DT B 6 -9.335 -3.876 4.487 1.00 0.00 O ATOM 159 OP2 DT B 6 -7.070 -3.307 5.540 1.00 0.00 O ATOM 160 O5' DT B 6 -7.299 -5.226 3.940 1.00 0.00 O ATOM 161 C5' DT B 6 -6.214 -5.842 4.641 1.00 0.00 C ATOM 162 C4' DT B 6 -5.699 -7.069 3.890 1.00 0.00 C ATOM 163 O4' DT B 6 -4.293 -6.948 3.588 1.00 0.00 O ATOM 164 C3' DT B 6 -5.893 -8.340 4.704 1.00 0.00 C ATOM 165 O3' DT B 6 -7.001 -9.100 4.212 1.00 0.00 O ATOM 166 C2' DT B 6 -4.605 -9.110 4.570 1.00 0.00 C ATOM 167 C1' DT B 6 -3.624 -8.203 3.839 1.00 0.00 C ATOM 168 N1 DT B 6 -2.393 -8.001 4.635 1.00 0.00 N ATOM 169 C2 DT B 6 -1.180 -8.233 4.008 1.00 0.00 C ATOM 170 O2 DT B 6 -1.104 -8.582 2.831 1.00 0.00 O ATOM 171 N3 DT B 6 -0.050 -8.046 4.783 1.00 0.00 N ATOM 172 C4 DT B 6 -0.027 -7.654 6.110 1.00 0.00 C ATOM 173 O4 DT B 6 1.041 -7.520 6.703 1.00 0.00 O ATOM 174 C5 DT B 6 -1.336 -7.433 6.681 1.00 0.00 C ATOM 175 C7 DT B 6 -1.458 -6.993 8.138 1.00 0.00 C ATOM 176 C6 DT B 6 -2.454 -7.609 5.947 1.00 0.00 C ATOM 0 H5' DT B 6 -6.541 -6.134 5.639 1.00 0.00 H new ATOM 0 H5'' DT B 6 -5.404 -5.123 4.768 1.00 0.00 H new ATOM 0 H4' DT B 6 -6.275 -7.127 2.967 1.00 0.00 H new ATOM 0 H3' DT B 6 -6.117 -8.117 5.747 1.00 0.00 H new ATOM 0 H2' DT B 6 -4.217 -9.388 5.550 1.00 0.00 H new ATOM 0 H2'' DT B 6 -4.763 -10.035 4.015 1.00 0.00 H new ATOM 0 HO3' DT B 6 -7.105 -9.913 4.750 1.00 0.00 H new ATOM 0 H1' DT B 6 -3.317 -8.660 2.898 1.00 0.00 H new ATOM 0 H3 DT B 6 0.851 -8.213 4.335 1.00 0.00 H new ATOM 0 H71 DT B 6 -2.355 -6.385 8.261 1.00 0.00 H new ATOM 0 H72 DT B 6 -1.525 -7.872 8.779 1.00 0.00 H new ATOM 0 H73 DT B 6 -0.582 -6.407 8.416 1.00 0.00 H new ATOM 0 H6 DT B 6 -3.418 -7.437 6.403 1.00 0.00 H new TER 190 DT B 6 HETATM 191 N1 MCY C 7 -3.004 -4.503 -1.747 1.00 0.00 N HETATM 192 C2 MCY C 7 -2.259 -4.773 -0.615 1.00 0.00 C HETATM 193 N3 MCY C 7 -0.980 -5.186 -0.792 1.00 0.00 N HETATM 194 C4 MCY C 7 -0.451 -5.337 -2.016 1.00 0.00 C HETATM 195 C5 MCY C 7 -1.198 -5.085 -3.110 1.00 0.00 C HETATM 196 C6 MCY C 7 -2.464 -4.678 -2.967 1.00 0.00 C HETATM 197 O2 MCY C 7 -2.755 -4.687 0.504 1.00 0.00 O HETATM 198 N4 MCY C 7 0.814 -5.737 -2.142 1.00 0.00 N HETATM 199 C1' MCY C 7 -4.358 -3.915 -1.600 1.00 0.00 C HETATM 200 C2' MCY C 7 -4.673 -2.962 -2.747 1.00 0.00 C HETATM 201 C3' MCY C 7 -5.873 -3.527 -3.461 1.00 0.00 C HETATM 202 C4' MCY C 7 -6.402 -4.636 -2.559 1.00 0.00 C HETATM 203 O4' MCY C 7 -5.377 -4.940 -1.585 1.00 0.00 O HETATM 204 O3' MCY C 7 -6.866 -2.518 -3.686 1.00 0.00 O HETATM 205 C5' MCY C 7 -6.784 -5.877 -3.367 1.00 0.00 C HETATM 206 O5' MCY C 7 -7.350 -5.524 -4.632 1.00 0.00 O HETATM 207 C5A MCY C 7 -0.600 -5.222 -4.507 1.00 0.00 C HETATM 0 HO5' MCY C 7 -7.582 -6.338 -5.125 1.00 0.00 H new HETATM 0 HN42 MCY C 7 1.222 -5.854 -3.070 1.00 0.00 H new HETATM 0 HN41 MCY C 7 1.374 -5.926 -1.311 1.00 0.00 H new HETATM 0 H5A3 MCY C 7 0.244 -4.541 -4.610 1.00 0.00 H new HETATM 0 H5A2 MCY C 7 -0.260 -6.246 -4.658 1.00 0.00 H new HETATM 0 H5A1 MCY C 7 -1.357 -4.977 -5.252 1.00 0.00 H new HETATM 0 H5'' MCY C 7 -5.901 -6.497 -3.522 1.00 0.00 H new HETATM 0 H2'' MCY C 7 -4.882 -1.960 -2.372 1.00 0.00 H new HETATM 0 H6 MCY C 7 -3.068 -4.485 -3.853 1.00 0.00 H new HETATM 0 H5' MCY C 7 -7.499 -6.475 -2.801 1.00 0.00 H new HETATM 0 H4' MCY C 7 -7.310 -4.305 -2.056 1.00 0.00 H new HETATM 0 H3' MCY C 7 -5.609 -3.908 -4.447 1.00 0.00 H new HETATM 0 H2' MCY C 7 -3.823 -2.878 -3.425 1.00 0.00 H new HETATM 0 H1' MCY C 7 -4.359 -3.375 -0.653 1.00 0.00 H new ATOM 222 P DC C 8 -6.538 -1.221 -4.590 1.00 0.00 P ATOM 223 OP1 DC C 8 -7.794 -0.780 -5.238 1.00 0.00 O ATOM 224 OP2 DC C 8 -5.345 -1.514 -5.417 1.00 0.00 O ATOM 225 O5' DC C 8 -6.129 -0.121 -3.487 1.00 0.00 O ATOM 226 C5' DC C 8 -6.912 0.035 -2.301 1.00 0.00 C ATOM 227 C4' DC C 8 -6.369 1.137 -1.396 1.00 0.00 C ATOM 228 O4' DC C 8 -5.013 0.860 -0.981 1.00 0.00 O ATOM 229 C3' DC C 8 -6.365 2.485 -2.101 1.00 0.00 C ATOM 230 O3' DC C 8 -7.502 3.276 -1.733 1.00 0.00 O ATOM 231 C2' DC C 8 -5.083 3.149 -1.679 1.00 0.00 C ATOM 232 C1' DC C 8 -4.255 2.088 -0.965 1.00 0.00 C ATOM 233 N1 DC C 8 -2.917 1.906 -1.584 1.00 0.00 N ATOM 234 C2 DC C 8 -1.874 1.564 -0.736 1.00 0.00 C ATOM 235 O2 DC C 8 -2.082 1.401 0.465 1.00 0.00 O ATOM 236 N3 DC C 8 -0.630 1.413 -1.265 1.00 0.00 N ATOM 237 C4 DC C 8 -0.411 1.587 -2.573 1.00 0.00 C ATOM 238 N4 DC C 8 0.815 1.396 -3.063 1.00 0.00 N ATOM 239 C5 DC C 8 -1.477 1.940 -3.456 1.00 0.00 C ATOM 240 C6 DC C 8 -2.712 2.087 -2.923 1.00 0.00 C ATOM 0 H5' DC C 8 -6.931 -0.907 -1.753 1.00 0.00 H new ATOM 0 H5'' DC C 8 -7.942 0.265 -2.575 1.00 0.00 H new ATOM 0 H4' DC C 8 -7.029 1.168 -0.529 1.00 0.00 H new ATOM 0 H3' DC C 8 -6.426 2.369 -3.183 1.00 0.00 H new ATOM 0 H2' DC C 8 -4.547 3.541 -2.544 1.00 0.00 H new ATOM 0 H2'' DC C 8 -5.283 3.993 -1.019 1.00 0.00 H new ATOM 0 H1' DC C 8 -4.063 2.405 0.060 1.00 0.00 H new ATOM 0 H41 DC C 8 0.992 1.526 -4.059 1.00 0.00 H new ATOM 0 H42 DC C 8 1.575 1.120 -2.442 1.00 0.00 H new ATOM 0 H5 DC C 8 -1.303 2.085 -4.512 1.00 0.00 H new ATOM 0 H6 DC C 8 -3.543 2.350 -3.561 1.00 0.00 H new ATOM 252 P DT C 9 -7.839 4.648 -2.514 1.00 0.00 P ATOM 253 OP1 DT C 9 -8.011 5.722 -1.510 1.00 0.00 O ATOM 254 OP2 DT C 9 -8.917 4.372 -3.490 1.00 0.00 O ATOM 255 O5' DT C 9 -6.481 4.939 -3.333 1.00 0.00 O ATOM 256 C5' DT C 9 -6.372 6.071 -4.201 1.00 0.00 C ATOM 257 C4' DT C 9 -5.829 7.295 -3.461 1.00 0.00 C ATOM 258 O4' DT C 9 -4.412 7.173 -3.210 1.00 0.00 O ATOM 259 C3' DT C 9 -6.048 8.571 -4.261 1.00 0.00 C ATOM 260 O3' DT C 9 -7.152 9.320 -3.740 1.00 0.00 O ATOM 261 C2' DT C 9 -4.763 9.351 -4.146 1.00 0.00 C ATOM 262 C1' DT C 9 -3.755 8.436 -3.461 1.00 0.00 C ATOM 263 N1 DT C 9 -2.533 8.247 -4.284 1.00 0.00 N ATOM 264 C2 DT C 9 -1.324 8.166 -3.613 1.00 0.00 C ATOM 265 O2 DT C 9 -1.246 8.242 -2.387 1.00 0.00 O ATOM 266 N3 DT C 9 -0.201 7.990 -4.400 1.00 0.00 N ATOM 267 C4 DT C 9 -0.179 7.886 -5.779 1.00 0.00 C ATOM 268 O4 DT C 9 0.884 7.727 -6.377 1.00 0.00 O ATOM 269 C5 DT C 9 -1.484 7.980 -6.396 1.00 0.00 C ATOM 270 C7 DT C 9 -1.607 7.876 -7.914 1.00 0.00 C ATOM 271 C6 DT C 9 -2.596 8.154 -5.653 1.00 0.00 C ATOM 0 H5' DT C 9 -7.350 6.303 -4.622 1.00 0.00 H new ATOM 0 H5'' DT C 9 -5.715 5.828 -5.036 1.00 0.00 H new ATOM 0 H4' DT C 9 -6.373 7.347 -2.518 1.00 0.00 H new ATOM 0 H3' DT C 9 -6.291 8.354 -5.301 1.00 0.00 H new ATOM 0 H2' DT C 9 -4.405 9.654 -5.130 1.00 0.00 H new ATOM 0 H2'' DT C 9 -4.914 10.262 -3.567 1.00 0.00 H new ATOM 0 HO3' DT C 9 -7.272 10.136 -4.269 1.00 0.00 H new ATOM 0 H1' DT C 9 -3.425 8.887 -2.526 1.00 0.00 H new ATOM 0 H3 DT C 9 0.696 7.931 -3.918 1.00 0.00 H new ATOM 0 H71 DT C 9 -2.573 7.443 -8.172 1.00 0.00 H new ATOM 0 H72 DT C 9 -1.526 8.870 -8.355 1.00 0.00 H new ATOM 0 H73 DT C 9 -0.810 7.241 -8.301 1.00 0.00 H new ATOM 0 H6 DT C 9 -3.555 8.222 -6.144 1.00 0.00 H new TER 285 DT C 9 HETATM 286 N1 MCY D 10 2.690 4.543 -2.248 1.00 0.00 N HETATM 287 C2 MCY D 10 1.863 4.713 -1.159 1.00 0.00 C HETATM 288 N3 MCY D 10 0.538 4.880 -1.401 1.00 0.00 N HETATM 289 C4 MCY D 10 0.049 4.882 -2.655 1.00 0.00 C HETATM 290 C5 MCY D 10 0.877 4.712 -3.709 1.00 0.00 C HETATM 291 C6 MCY D 10 2.188 4.541 -3.500 1.00 0.00 C HETATM 292 O2 MCY D 10 2.322 4.717 -0.017 1.00 0.00 O HETATM 293 N4 MCY D 10 -1.252 5.076 -2.852 1.00 0.00 N HETATM 294 C1' MCY D 10 4.136 4.390 -2.018 1.00 0.00 C HETATM 295 C2' MCY D 10 4.706 3.255 -2.862 1.00 0.00 C HETATM 296 C3' MCY D 10 5.797 3.849 -3.714 1.00 0.00 C HETATM 297 C4' MCY D 10 5.807 5.340 -3.411 1.00 0.00 C HETATM 298 O4' MCY D 10 4.834 5.601 -2.376 1.00 0.00 O HETATM 299 O3' MCY D 10 7.069 3.264 -3.407 1.00 0.00 O HETATM 300 C5' MCY D 10 5.486 6.145 -4.667 1.00 0.00 C HETATM 301 O5' MCY D 10 4.319 5.646 -5.328 1.00 0.00 O HETATM 302 C5A MCY D 10 0.327 4.716 -5.135 1.00 0.00 C HETATM 0 HO5' MCY D 10 4.140 6.184 -6.127 1.00 0.00 H new HETATM 0 HN42 MCY D 10 -1.629 5.079 -3.800 1.00 0.00 H new HETATM 0 HN41 MCY D 10 -1.872 5.222 -2.056 1.00 0.00 H new HETATM 0 H5A3 MCY D 10 -0.401 3.913 -5.246 1.00 0.00 H new HETATM 0 H5A2 MCY D 10 -0.155 5.673 -5.337 1.00 0.00 H new HETATM 0 H5A1 MCY D 10 1.144 4.565 -5.841 1.00 0.00 H new HETATM 0 H5'' MCY D 10 5.335 7.191 -4.401 1.00 0.00 H new HETATM 0 H2'' MCY D 10 5.101 2.462 -2.227 1.00 0.00 H new HETATM 0 H6 MCY D 10 2.856 4.399 -4.349 1.00 0.00 H new HETATM 0 H5' MCY D 10 6.335 6.109 -5.350 1.00 0.00 H new HETATM 0 H4' MCY D 10 6.798 5.642 -3.071 1.00 0.00 H new HETATM 0 H3' MCY D 10 5.614 3.657 -4.771 1.00 0.00 H new HETATM 0 H2' MCY D 10 3.930 2.809 -3.484 1.00 0.00 H new HETATM 0 H1' MCY D 10 4.274 4.170 -0.959 1.00 0.00 H new ATOM 317 P DC D 11 7.489 1.829 -4.005 1.00 0.00 P ATOM 318 OP1 DC D 11 8.966 1.770 -4.070 1.00 0.00 O ATOM 319 OP2 DC D 11 6.687 1.578 -5.225 1.00 0.00 O ATOM 320 O5' DC D 11 6.996 0.816 -2.855 1.00 0.00 O ATOM 321 C5' DC D 11 5.932 -0.106 -3.100 1.00 0.00 C ATOM 322 C4' DC D 11 5.912 -1.221 -2.059 1.00 0.00 C ATOM 323 O4' DC D 11 4.747 -1.105 -1.211 1.00 0.00 O ATOM 324 C3' DC D 11 5.879 -2.588 -2.726 1.00 0.00 C ATOM 325 O3' DC D 11 7.133 -3.267 -2.601 1.00 0.00 O ATOM 326 C2' DC D 11 4.782 -3.352 -2.038 1.00 0.00 C ATOM 327 C1' DC D 11 4.021 -2.350 -1.183 1.00 0.00 C ATOM 328 N1 DC D 11 2.637 -2.161 -1.658 1.00 0.00 N ATOM 329 C2 DC D 11 1.662 -1.903 -0.705 1.00 0.00 C ATOM 330 O2 DC D 11 1.961 -1.827 0.487 1.00 0.00 O ATOM 331 N3 DC D 11 0.382 -1.724 -1.126 1.00 0.00 N ATOM 332 C4 DC D 11 0.071 -1.789 -2.425 1.00 0.00 C ATOM 333 N4 DC D 11 -1.185 -1.563 -2.805 1.00 0.00 N ATOM 334 C5 DC D 11 1.074 -2.054 -3.409 1.00 0.00 C ATOM 335 C6 DC D 11 2.337 -2.235 -2.978 1.00 0.00 C ATOM 0 H5' DC D 11 6.044 -0.537 -4.095 1.00 0.00 H new ATOM 0 H5'' DC D 11 4.979 0.423 -3.087 1.00 0.00 H new ATOM 0 H4' DC D 11 6.820 -1.124 -1.464 1.00 0.00 H new ATOM 0 H3' DC D 11 5.696 -2.497 -3.797 1.00 0.00 H new ATOM 0 H2' DC D 11 4.120 -3.820 -2.767 1.00 0.00 H new ATOM 0 H2'' DC D 11 5.194 -4.151 -1.423 1.00 0.00 H new ATOM 0 H1' DC D 11 3.947 -2.726 -0.163 1.00 0.00 H new ATOM 0 H41 DC D 11 -1.435 -1.610 -3.793 1.00 0.00 H new ATOM 0 H42 DC D 11 -1.897 -1.343 -2.108 1.00 0.00 H new ATOM 0 H5 DC D 11 0.828 -2.107 -4.459 1.00 0.00 H new ATOM 0 H6 DC D 11 3.120 -2.442 -3.692 1.00 0.00 H new ATOM 347 P DT D 12 7.452 -4.569 -3.501 1.00 0.00 P ATOM 348 OP1 DT D 12 7.808 -5.682 -2.592 1.00 0.00 O ATOM 349 OP2 DT D 12 8.384 -4.170 -4.579 1.00 0.00 O ATOM 350 O5' DT D 12 6.021 -4.902 -4.169 1.00 0.00 O ATOM 351 C5' DT D 12 5.838 -6.065 -4.984 1.00 0.00 C ATOM 352 C4' DT D 12 5.554 -7.305 -4.136 1.00 0.00 C ATOM 353 O4' DT D 12 4.207 -7.289 -3.618 1.00 0.00 O ATOM 354 C3' DT D 12 5.724 -8.583 -4.944 1.00 0.00 C ATOM 355 O3' DT D 12 6.970 -9.218 -4.644 1.00 0.00 O ATOM 356 C2' DT D 12 4.561 -9.463 -4.563 1.00 0.00 C ATOM 357 C1' DT D 12 3.629 -8.611 -3.710 1.00 0.00 C ATOM 358 N1 DT D 12 2.259 -8.555 -4.279 1.00 0.00 N ATOM 359 C2 DT D 12 1.203 -8.540 -3.383 1.00 0.00 C ATOM 360 O2 DT D 12 1.374 -8.568 -2.165 1.00 0.00 O ATOM 361 N3 DT D 12 -0.063 -8.491 -3.936 1.00 0.00 N ATOM 362 C4 DT D 12 -0.365 -8.456 -5.285 1.00 0.00 C ATOM 363 O4 DT D 12 -1.533 -8.412 -5.664 1.00 0.00 O ATOM 364 C5 DT D 12 0.796 -8.476 -6.148 1.00 0.00 C ATOM 365 C7 DT D 12 0.607 -8.450 -7.663 1.00 0.00 C ATOM 366 C6 DT D 12 2.044 -8.523 -5.636 1.00 0.00 C ATOM 0 H5' DT D 12 6.731 -6.232 -5.587 1.00 0.00 H new ATOM 0 H5'' DT D 12 5.012 -5.899 -5.676 1.00 0.00 H new ATOM 0 H4' DT D 12 6.272 -7.285 -3.316 1.00 0.00 H new ATOM 0 H3' DT D 12 5.737 -8.381 -6.015 1.00 0.00 H new ATOM 0 H2' DT D 12 4.046 -9.830 -5.451 1.00 0.00 H new ATOM 0 H2'' DT D 12 4.902 -10.337 -4.009 1.00 0.00 H new ATOM 0 HO3' DT D 12 7.055 -10.038 -5.174 1.00 0.00 H new ATOM 0 H1' DT D 12 3.529 -9.054 -2.719 1.00 0.00 H new ATOM 0 H3 DT D 12 -0.850 -8.480 -3.287 1.00 0.00 H new ATOM 0 H71 DT D 12 1.459 -7.953 -8.127 1.00 0.00 H new ATOM 0 H72 DT D 12 0.534 -9.471 -8.038 1.00 0.00 H new ATOM 0 H73 DT D 12 -0.307 -7.908 -7.906 1.00 0.00 H new ATOM 0 H6 DT D 12 2.891 -8.536 -6.306 1.00 0.00 H new TER 380 DT D 12