USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 156 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 Single : A 1 G O2' : rot 5:sc= -1 USER MOD Single : A 2 G O2' : rot 180:sc= -1.86! USER MOD Single : A 3 G O2' : rot -148:sc= -2.04! USER MOD Single : A 4 U O2' : rot 6:sc= -1.54! USER MOD Single : A 5 G O2' : rot 0:sc= -2.98! USER MOD Single : A 6 U O2' : rot 166:sc= -3.72! USER MOD Single : A 7 A O2' : rot 23:sc= 0.259 USER MOD Single : A 7 A O3' : rot -174:sc= 0.213 USER MOD Single : B 17 A O2' : rot 11:sc= -3.16! USER MOD Single : B 18 G O2' : rot -2:sc= -1.16 USER MOD Single : B 19 C O2' : rot 3:sc= -0.792 USER MOD Single : B 20 A O2' : rot -1:sc= -1.24 USER MOD Single : B 21 C O2' : rot 180:sc= -1.41! USER MOD Single : B 22 C O2' : rot -124:sc= -0.898 USER MOD Single : B 23 C O2' : rot 34:sc= 0.215 USER MOD Single : B 23 C O3' : rot 38:sc= 0.18 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -37.911 33.584-198.449 1.00 0.00 O ATOM 2 P G A 1 -37.393 35.013-197.919 1.00 0.00 P ATOM 3 OP1 G A 1 -35.914 34.988-197.887 1.00 0.00 O ATOM 4 OP2 G A 1 -38.097 36.072-198.678 1.00 0.00 O ATOM 5 O5' G A 1 -37.929 35.040-196.401 1.00 0.00 O ATOM 6 C5' G A 1 -38.598 36.196-195.890 1.00 0.00 C ATOM 7 C4' G A 1 -39.032 35.998-194.440 1.00 0.00 C ATOM 8 O4' G A 1 -37.876 35.807-193.622 1.00 0.00 O ATOM 9 C3' G A 1 -39.800 37.177-193.807 1.00 0.00 C ATOM 10 O3' G A 1 -41.210 37.058-194.011 1.00 0.00 O ATOM 11 C2' G A 1 -39.485 36.993-192.329 1.00 0.00 C ATOM 12 O2' G A 1 -40.443 36.136-191.697 1.00 0.00 O ATOM 13 C1' G A 1 -38.099 36.365-192.327 1.00 0.00 C ATOM 14 N9 G A 1 -37.010 37.323-192.062 1.00 0.00 N ATOM 15 C8 G A 1 -36.197 37.967-192.957 1.00 0.00 C ATOM 16 N7 G A 1 -35.321 38.758-192.404 1.00 0.00 N ATOM 17 C5 G A 1 -35.570 38.632-191.041 1.00 0.00 C ATOM 18 C6 G A 1 -34.930 39.257-189.936 1.00 0.00 C ATOM 19 O6 G A 1 -33.999 40.060-189.951 1.00 0.00 O ATOM 20 N1 G A 1 -35.487 38.856-188.730 1.00 0.00 N ATOM 21 C2 G A 1 -36.531 37.964-188.599 1.00 0.00 C ATOM 22 N2 G A 1 -36.930 37.702-187.354 1.00 0.00 N ATOM 23 N3 G A 1 -37.135 37.375-189.636 1.00 0.00 N ATOM 24 C4 G A 1 -36.603 37.756-190.821 1.00 0.00 C ATOM 0 H5' G A 1 -39.471 36.414-196.505 1.00 0.00 H new ATOM 0 H5'' G A 1 -37.937 37.060-195.958 1.00 0.00 H new ATOM 0 H4' G A 1 -39.704 35.140-194.477 1.00 0.00 H new ATOM 0 H3' G A 1 -39.519 38.144-194.224 1.00 0.00 H new ATOM 0 H2' G A 1 -39.522 37.930-191.773 1.00 0.00 H new ATOM 0 HO2' G A 1 -41.061 35.783-192.371 1.00 0.00 H new ATOM 0 H1' G A 1 -38.081 35.626-191.526 1.00 0.00 H new ATOM 0 H8 G A 1 -36.275 37.831-194.026 1.00 0.00 H new ATOM 0 H1 G A 1 -35.095 39.251-187.875 1.00 0.00 H new ATOM 0 H21 G A 1 -37.698 37.051-187.191 1.00 0.00 H new ATOM 0 H22 G A 1 -36.467 38.153-186.565 1.00 0.00 H new ATOM 37 P G A 2 -42.127 38.374-194.148 1.00 0.00 P ATOM 38 OP1 G A 2 -43.499 37.947-194.501 1.00 0.00 O ATOM 39 OP2 G A 2 -41.414 39.349-195.005 1.00 0.00 O ATOM 40 O5' G A 2 -42.148 38.945-192.643 1.00 0.00 O ATOM 41 C5' G A 2 -42.770 38.197-191.595 1.00 0.00 C ATOM 42 C4' G A 2 -42.533 38.835-190.228 1.00 0.00 C ATOM 43 O4' G A 2 -41.142 38.798-189.911 1.00 0.00 O ATOM 44 C3' G A 2 -42.932 40.354-190.046 1.00 0.00 C ATOM 45 O3' G A 2 -44.315 40.540-189.731 1.00 0.00 O ATOM 46 C2' G A 2 -42.079 40.732-188.846 1.00 0.00 C ATOM 47 O2' G A 2 -42.754 40.441-187.616 1.00 0.00 O ATOM 48 C1' G A 2 -40.829 39.870-189.008 1.00 0.00 C ATOM 49 N9 G A 2 -39.674 40.602-189.563 1.00 0.00 N ATOM 50 C8 G A 2 -39.240 40.660-190.861 1.00 0.00 C ATOM 51 N7 G A 2 -38.193 41.416-191.036 1.00 0.00 N ATOM 52 C5 G A 2 -37.909 41.895-189.762 1.00 0.00 C ATOM 53 C6 G A 2 -36.874 42.768-189.328 1.00 0.00 C ATOM 54 O6 G A 2 -35.993 43.299-190.000 1.00 0.00 O ATOM 55 N1 G A 2 -36.943 42.999-187.961 1.00 0.00 N ATOM 56 C2 G A 2 -37.889 42.458-187.114 1.00 0.00 C ATOM 57 N2 G A 2 -37.791 42.797-185.828 1.00 0.00 N ATOM 58 N3 G A 2 -38.862 41.638-187.520 1.00 0.00 N ATOM 59 C4 G A 2 -38.810 41.402-188.853 1.00 0.00 C ATOM 0 H5' G A 2 -42.380 37.179-191.594 1.00 0.00 H new ATOM 0 H5'' G A 2 -43.841 38.128-191.784 1.00 0.00 H new ATOM 0 H4' G A 2 -43.184 38.241-189.587 1.00 0.00 H new ATOM 0 H3' G A 2 -42.777 40.942-190.950 1.00 0.00 H new ATOM 0 H2' G A 2 -41.855 41.798-188.807 1.00 0.00 H new ATOM 0 HO2' G A 2 -42.182 40.693-186.861 1.00 0.00 H new ATOM 0 H1' G A 2 -40.548 39.523-188.014 1.00 0.00 H new ATOM 0 H8 G A 2 -39.722 40.127-191.667 1.00 0.00 H new ATOM 0 H1 G A 2 -36.241 43.615-187.551 1.00 0.00 H new ATOM 0 H21 G A 2 -38.460 42.430-185.151 1.00 0.00 H new ATOM 0 H22 G A 2 -37.047 43.423-185.521 1.00 0.00 H new ATOM 71 P G A 3 -45.043 41.936-190.065 1.00 0.00 P ATOM 72 OP1 G A 3 -46.488 41.781-189.789 1.00 0.00 O ATOM 73 OP2 G A 3 -44.589 42.387-191.400 1.00 0.00 O ATOM 74 O5' G A 3 -44.422 42.927-188.960 1.00 0.00 O ATOM 75 C5' G A 3 -44.680 42.712-187.570 1.00 0.00 C ATOM 76 C4' G A 3 -43.898 43.685-186.693 1.00 0.00 C ATOM 77 O4' G A 3 -42.496 43.456-186.847 1.00 0.00 O ATOM 78 C3' G A 3 -44.029 45.235-186.956 1.00 0.00 C ATOM 79 O3' G A 3 -45.183 45.785-186.316 1.00 0.00 O ATOM 80 C2' G A 3 -42.772 45.772-186.295 1.00 0.00 C ATOM 81 O2' G A 3 -42.996 46.072-184.913 1.00 0.00 O ATOM 82 C1' G A 3 -41.770 44.632-186.460 1.00 0.00 C ATOM 83 N9 G A 3 -40.749 44.884-187.491 1.00 0.00 N ATOM 84 C8 G A 3 -40.742 44.492-188.804 1.00 0.00 C ATOM 85 N7 G A 3 -39.695 44.890-189.470 1.00 0.00 N ATOM 86 C5 G A 3 -38.951 45.598-188.533 1.00 0.00 C ATOM 87 C6 G A 3 -37.706 46.268-188.677 1.00 0.00 C ATOM 88 O6 G A 3 -37.007 46.368-189.683 1.00 0.00 O ATOM 89 N1 G A 3 -37.303 46.856-187.487 1.00 0.00 N ATOM 90 C2 G A 3 -38.008 46.808-186.303 1.00 0.00 C ATOM 91 N2 G A 3 -37.457 47.437-185.262 1.00 0.00 N ATOM 92 N3 G A 3 -39.179 46.180-186.164 1.00 0.00 N ATOM 93 C4 G A 3 -39.588 45.600-187.317 1.00 0.00 C ATOM 0 H5' G A 3 -44.414 41.689-187.305 1.00 0.00 H new ATOM 0 H5'' G A 3 -45.747 42.824-187.376 1.00 0.00 H new ATOM 0 H4' G A 3 -44.340 43.474-185.719 1.00 0.00 H new ATOM 0 H3' G A 3 -44.133 45.481-188.013 1.00 0.00 H new ATOM 0 H2' G A 3 -42.428 46.707-186.738 1.00 0.00 H new ATOM 0 HO2' G A 3 -42.433 46.829-184.647 1.00 0.00 H new ATOM 0 H1' G A 3 -41.252 44.523-185.507 1.00 0.00 H new ATOM 0 H8 G A 3 -41.533 43.906-189.247 1.00 0.00 H new ATOM 0 H1 G A 3 -36.418 47.362-187.488 1.00 0.00 H new ATOM 0 H21 G A 3 -37.930 47.438-184.358 1.00 0.00 H new ATOM 0 H22 G A 3 -36.563 47.917-185.371 1.00 0.00 H new ATOM 105 P U A 4 -45.859 47.135-186.876 1.00 0.00 P ATOM 106 OP1 U A 4 -47.132 47.350-186.154 1.00 0.00 O ATOM 107 OP2 U A 4 -45.850 47.078-188.356 1.00 0.00 O ATOM 108 O5' U A 4 -44.816 48.267-186.408 1.00 0.00 O ATOM 109 C5' U A 4 -44.616 48.537-185.018 1.00 0.00 C ATOM 110 C4' U A 4 -43.551 49.607-184.800 1.00 0.00 C ATOM 111 O4' U A 4 -42.286 49.130-185.273 1.00 0.00 O ATOM 112 C3' U A 4 -43.696 50.983-185.536 1.00 0.00 C ATOM 113 O3' U A 4 -44.559 51.881-184.833 1.00 0.00 O ATOM 114 C2' U A 4 -42.272 51.508-185.499 1.00 0.00 C ATOM 115 O2' U A 4 -42.014 52.234-184.291 1.00 0.00 O ATOM 116 C1' U A 4 -41.430 50.240-185.576 1.00 0.00 C ATOM 117 N1 U A 4 -40.841 49.998-186.904 1.00 0.00 N ATOM 118 C2 U A 4 -39.653 50.639-187.201 1.00 0.00 C ATOM 119 O2 U A 4 -39.088 51.375-186.395 1.00 0.00 O ATOM 120 N3 U A 4 -39.133 50.401-188.461 1.00 0.00 N ATOM 121 C4 U A 4 -39.691 49.589-189.435 1.00 0.00 C ATOM 122 O4 U A 4 -39.140 49.451-190.525 1.00 0.00 O ATOM 123 C5 U A 4 -40.929 48.960-189.037 1.00 0.00 C ATOM 124 C6 U A 4 -41.458 49.178-187.808 1.00 0.00 C ATOM 0 H5' U A 4 -44.321 47.620-184.508 1.00 0.00 H new ATOM 0 H5'' U A 4 -45.556 48.862-184.571 1.00 0.00 H new ATOM 0 H4' U A 4 -43.656 49.785-183.730 1.00 0.00 H new ATOM 0 H3' U A 4 -44.128 50.886-186.532 1.00 0.00 H new ATOM 0 H2' U A 4 -42.057 52.211-186.304 1.00 0.00 H new ATOM 0 HO2' U A 4 -42.788 52.162-183.695 1.00 0.00 H new ATOM 0 H1' U A 4 -40.606 50.357-184.872 1.00 0.00 H new ATOM 0 H3 U A 4 -38.256 50.867-188.695 1.00 0.00 H new ATOM 0 H5 U A 4 -41.440 48.307-189.728 1.00 0.00 H new ATOM 0 H6 U A 4 -42.385 48.695-187.537 1.00 0.00 H new ATOM 135 P G A 5 -45.357 53.032-185.627 1.00 0.00 P ATOM 136 OP1 G A 5 -46.273 53.701-184.677 1.00 0.00 O ATOM 137 OP2 G A 5 -45.888 52.448-186.879 1.00 0.00 O ATOM 138 O5' G A 5 -44.186 54.068-186.011 1.00 0.00 O ATOM 139 C5' G A 5 -43.481 54.776-184.989 1.00 0.00 C ATOM 140 C4' G A 5 -42.334 55.601-185.563 1.00 0.00 C ATOM 141 O4' G A 5 -41.372 54.728-186.164 1.00 0.00 O ATOM 142 C3' G A 5 -42.628 56.620-186.721 1.00 0.00 C ATOM 143 O3' G A 5 -43.081 57.878-186.214 1.00 0.00 O ATOM 144 C2' G A 5 -41.260 56.792-187.361 1.00 0.00 C ATOM 145 O2' G A 5 -40.529 57.863-186.753 1.00 0.00 O ATOM 146 C1' G A 5 -40.582 55.450-187.117 1.00 0.00 C ATOM 147 N9 G A 5 -40.466 54.611-188.324 1.00 0.00 N ATOM 148 C8 G A 5 -41.291 53.604-188.750 1.00 0.00 C ATOM 149 N7 G A 5 -40.915 53.051-189.870 1.00 0.00 N ATOM 150 C5 G A 5 -39.756 53.742-190.211 1.00 0.00 C ATOM 151 C6 G A 5 -38.899 53.582-191.334 1.00 0.00 C ATOM 152 O6 G A 5 -39.000 52.784-192.263 1.00 0.00 O ATOM 153 N1 G A 5 -37.841 54.480-191.298 1.00 0.00 N ATOM 154 C2 G A 5 -37.631 55.416-190.307 1.00 0.00 C ATOM 155 N2 G A 5 -36.556 56.193-190.446 1.00 0.00 N ATOM 156 N3 G A 5 -38.436 55.567-189.251 1.00 0.00 N ATOM 157 C4 G A 5 -39.473 54.699-189.270 1.00 0.00 C ATOM 0 H5' G A 5 -43.090 54.067-184.259 1.00 0.00 H new ATOM 0 H5'' G A 5 -44.171 55.432-184.458 1.00 0.00 H new ATOM 0 H4' G A 5 -42.032 56.167-184.682 1.00 0.00 H new ATOM 0 H3' G A 5 -43.407 56.272-187.399 1.00 0.00 H new ATOM 0 H2' G A 5 -41.318 57.051-188.418 1.00 0.00 H new ATOM 0 HO2' G A 5 -41.069 58.265-186.041 1.00 0.00 H new ATOM 0 H1' G A 5 -39.570 55.661-186.771 1.00 0.00 H new ATOM 0 H8 G A 5 -42.173 53.296-188.208 1.00 0.00 H new ATOM 0 H1 G A 5 -37.167 54.445-192.063 1.00 0.00 H new ATOM 0 H21 G A 5 -36.347 56.904-189.746 1.00 0.00 H new ATOM 0 H22 G A 5 -35.943 56.076-191.253 1.00 0.00 H new ATOM 169 P U A 6 -44.042 58.816-187.101 1.00 0.00 P ATOM 170 OP1 U A 6 -44.440 59.981-186.280 1.00 0.00 O ATOM 171 OP2 U A 6 -45.079 57.962-187.721 1.00 0.00 O ATOM 172 O5' U A 6 -43.053 59.330-188.263 1.00 0.00 O ATOM 173 C5' U A 6 -41.917 60.137-187.943 1.00 0.00 C ATOM 174 C4' U A 6 -41.171 60.577-189.199 1.00 0.00 C ATOM 175 O4' U A 6 -40.568 59.436-189.815 1.00 0.00 O ATOM 176 C3' U A 6 -42.078 61.258-190.257 1.00 0.00 C ATOM 177 O3' U A 6 -41.395 62.405-190.775 1.00 0.00 O ATOM 178 C2' U A 6 -42.224 60.215-191.354 1.00 0.00 C ATOM 179 O2' U A 6 -42.241 60.822-192.651 1.00 0.00 O ATOM 180 C1' U A 6 -41.001 59.325-191.175 1.00 0.00 C ATOM 181 N1 U A 6 -41.257 57.898-191.445 1.00 0.00 N ATOM 182 C2 U A 6 -40.445 57.267-192.367 1.00 0.00 C ATOM 183 O2 U A 6 -39.536 57.854-192.952 1.00 0.00 O ATOM 184 N3 U A 6 -40.713 55.929-192.598 1.00 0.00 N ATOM 185 C4 U A 6 -41.709 55.180-191.995 1.00 0.00 C ATOM 186 O4 U A 6 -41.858 53.993-192.275 1.00 0.00 O ATOM 187 C5 U A 6 -42.508 55.921-191.045 1.00 0.00 C ATOM 188 C6 U A 6 -42.264 57.231-190.802 1.00 0.00 C ATOM 0 H5' U A 6 -41.242 59.577-187.296 1.00 0.00 H new ATOM 0 H5'' U A 6 -42.239 61.015-187.384 1.00 0.00 H new ATOM 0 H4' U A 6 -40.433 61.309-188.871 1.00 0.00 H new ATOM 0 H3' U A 6 -43.040 61.581-189.858 1.00 0.00 H new ATOM 0 H2' U A 6 -43.160 59.661-191.284 1.00 0.00 H new ATOM 0 HO2' U A 6 -42.110 60.134-193.336 1.00 0.00 H new ATOM 0 H1' U A 6 -40.255 59.663-191.894 1.00 0.00 H new ATOM 0 H3 U A 6 -40.121 55.450-193.276 1.00 0.00 H new ATOM 0 H5 U A 6 -43.311 55.423-190.522 1.00 0.00 H new ATOM 0 H6 U A 6 -42.876 57.760-190.087 1.00 0.00 H new ATOM 199 P A A 7 -42.144 63.415-191.781 1.00 0.00 P ATOM 200 OP1 A A 7 -41.564 64.764-191.599 1.00 0.00 O ATOM 201 OP2 A A 7 -43.603 63.214-191.640 1.00 0.00 O ATOM 202 O5' A A 7 -41.697 62.864-193.227 1.00 0.00 O ATOM 203 C5' A A 7 -40.324 62.892-193.624 1.00 0.00 C ATOM 204 C4' A A 7 -40.113 62.213-194.974 1.00 0.00 C ATOM 205 O4' A A 7 -40.359 60.811-194.842 1.00 0.00 O ATOM 206 C3' A A 7 -41.046 62.714-196.102 1.00 0.00 C ATOM 207 O3' A A 7 -40.286 63.373-197.121 1.00 0.00 O ATOM 208 C2' A A 7 -41.755 61.486-196.654 1.00 0.00 C ATOM 209 O2' A A 7 -41.656 61.427-198.081 1.00 0.00 O ATOM 210 C1' A A 7 -41.027 60.318-196.005 1.00 0.00 C ATOM 211 N9 A A 7 -41.918 59.224-195.576 1.00 0.00 N ATOM 212 C8 A A 7 -43.054 59.292-194.811 1.00 0.00 C ATOM 213 N7 A A 7 -43.621 58.135-194.605 1.00 0.00 N ATOM 214 C5 A A 7 -42.801 57.237-195.281 1.00 0.00 C ATOM 215 C6 A A 7 -42.856 55.843-195.451 1.00 0.00 C ATOM 216 N6 A A 7 -43.815 55.081-194.926 1.00 0.00 N ATOM 217 N1 A A 7 -41.882 55.273-196.182 1.00 0.00 N ATOM 218 C2 A A 7 -40.931 56.038-196.702 1.00 0.00 C ATOM 219 N3 A A 7 -40.771 57.349-196.615 1.00 0.00 N ATOM 220 C4 A A 7 -41.761 57.893-195.876 1.00 0.00 C ATOM 0 H5' A A 7 -39.716 62.395-192.868 1.00 0.00 H new ATOM 0 H5'' A A 7 -39.982 63.926-193.679 1.00 0.00 H new ATOM 0 H4' A A 7 -39.087 62.451-195.253 1.00 0.00 H new ATOM 0 H3' A A 7 -41.769 63.440-195.728 1.00 0.00 H new ATOM 0 H2' A A 7 -42.823 61.488-196.435 1.00 0.00 H new ATOM 0 HO2' A A 7 -40.879 61.945-198.377 1.00 0.00 H new ATOM 0 HO3' A A 7 -40.895 63.767-197.780 1.00 0.00 H new ATOM 0 H1' A A 7 -40.348 59.909-196.753 1.00 0.00 H new ATOM 0 H8 A A 7 -43.444 60.218-194.415 1.00 0.00 H new ATOM 0 H61 A A 7 -43.807 54.073-195.081 1.00 0.00 H new ATOM 0 H62 A A 7 -44.557 55.506-194.370 1.00 0.00 H new ATOM 0 H2 A A 7 -40.181 55.517-197.278 1.00 0.00 H new TER 233 A A 7 ATOM 234 OP3 A B 17 -40.260 47.854-202.465 1.00 0.00 O ATOM 235 P A B 17 -41.278 49.091-202.625 1.00 0.00 P ATOM 236 OP1 A B 17 -41.982 48.948-203.918 1.00 0.00 O ATOM 237 OP2 A B 17 -42.054 49.218-201.372 1.00 0.00 O ATOM 238 O5' A B 17 -40.283 50.353-202.732 1.00 0.00 O ATOM 239 C5' A B 17 -39.618 50.654-203.962 1.00 0.00 C ATOM 240 C4' A B 17 -38.838 51.962-203.871 1.00 0.00 C ATOM 241 O4' A B 17 -39.749 53.047-203.671 1.00 0.00 O ATOM 242 C3' A B 17 -37.840 52.121-202.707 1.00 0.00 C ATOM 243 O3' A B 17 -36.562 51.588-203.068 1.00 0.00 O ATOM 244 C2' A B 17 -37.731 53.627-202.532 1.00 0.00 C ATOM 245 O2' A B 17 -36.650 54.164-203.303 1.00 0.00 O ATOM 246 C1' A B 17 -39.077 54.138-203.031 1.00 0.00 C ATOM 247 N9 A B 17 -39.960 54.641-201.964 1.00 0.00 N ATOM 248 C8 A B 17 -40.990 53.998-201.326 1.00 0.00 C ATOM 249 N7 A B 17 -41.587 54.725-200.422 1.00 0.00 N ATOM 250 C5 A B 17 -40.902 55.936-200.464 1.00 0.00 C ATOM 251 C6 A B 17 -41.047 57.134-199.746 1.00 0.00 C ATOM 252 N6 A B 17 -41.974 57.313-198.805 1.00 0.00 N ATOM 253 N1 A B 17 -40.200 58.135-200.040 1.00 0.00 N ATOM 254 C2 A B 17 -39.280 57.950-200.978 1.00 0.00 C ATOM 255 N3 A B 17 -39.045 56.877-201.717 1.00 0.00 N ATOM 256 C4 A B 17 -39.909 55.892-201.400 1.00 0.00 C ATOM 0 H5' A B 17 -40.351 50.722-204.766 1.00 0.00 H new ATOM 0 H5'' A B 17 -38.938 49.841-204.218 1.00 0.00 H new ATOM 0 H4' A B 17 -38.278 51.957-204.806 1.00 0.00 H new ATOM 0 H3' A B 17 -38.161 51.600-201.805 1.00 0.00 H new ATOM 0 H2' A B 17 -37.521 53.921-201.504 1.00 0.00 H new ATOM 0 HO2' A B 17 -36.312 53.477-203.915 1.00 0.00 H new ATOM 0 H1' A B 17 -38.872 54.974-203.700 1.00 0.00 H new ATOM 0 H8 A B 17 -41.280 52.982-201.551 1.00 0.00 H new ATOM 0 H61 A B 17 -42.036 58.204-198.313 1.00 0.00 H new ATOM 0 H62 A B 17 -42.621 56.559-198.577 1.00 0.00 H new ATOM 0 H2 A B 17 -38.632 58.793-201.165 1.00 0.00 H new ATOM 269 P G B 18 -35.577 50.996-201.942 1.00 0.00 P ATOM 270 OP1 G B 18 -34.400 50.408-202.620 1.00 0.00 O ATOM 271 OP2 G B 18 -36.379 50.174-201.008 1.00 0.00 O ATOM 272 O5' G B 18 -35.098 52.321-201.163 1.00 0.00 O ATOM 273 C5' G B 18 -34.332 53.323-201.839 1.00 0.00 C ATOM 274 C4' G B 18 -33.998 54.491-200.916 1.00 0.00 C ATOM 275 O4' G B 18 -35.207 55.135-200.504 1.00 0.00 O ATOM 276 C3' G B 18 -33.281 54.143-199.559 1.00 0.00 C ATOM 277 O3' G B 18 -31.859 54.070-199.701 1.00 0.00 O ATOM 278 C2' G B 18 -33.646 55.344-198.702 1.00 0.00 C ATOM 279 O2' G B 18 -32.699 56.407-198.863 1.00 0.00 O ATOM 280 C1' G B 18 -35.023 55.745-199.219 1.00 0.00 C ATOM 281 N9 G B 18 -36.135 55.308-198.356 1.00 0.00 N ATOM 282 C8 G B 18 -36.944 54.211-198.491 1.00 0.00 C ATOM 283 N7 G B 18 -37.843 54.098-197.554 1.00 0.00 N ATOM 284 C5 G B 18 -37.613 55.199-196.734 1.00 0.00 C ATOM 285 C6 G B 18 -38.281 55.607-195.549 1.00 0.00 C ATOM 286 O6 G B 18 -39.226 55.063-194.980 1.00 0.00 O ATOM 287 N1 G B 18 -37.735 56.775-195.033 1.00 0.00 N ATOM 288 C2 G B 18 -36.678 57.466-195.587 1.00 0.00 C ATOM 289 N2 G B 18 -36.294 58.570-194.946 1.00 0.00 N ATOM 290 N3 G B 18 -36.048 57.084-196.702 1.00 0.00 N ATOM 291 C4 G B 18 -36.568 55.945-197.219 1.00 0.00 C ATOM 0 H5' G B 18 -34.889 53.688-202.702 1.00 0.00 H new ATOM 0 H5'' G B 18 -33.410 52.883-202.218 1.00 0.00 H new ATOM 0 H4' G B 18 -33.319 55.089-201.524 1.00 0.00 H new ATOM 0 H3' G B 18 -33.581 53.175-199.158 1.00 0.00 H new ATOM 0 H2' G B 18 -33.644 55.118-197.636 1.00 0.00 H new ATOM 0 HO2' G B 18 -31.989 56.122-199.475 1.00 0.00 H new ATOM 0 H1' G B 18 -35.046 56.834-199.251 1.00 0.00 H new ATOM 0 H8 G B 18 -36.846 53.503-199.301 1.00 0.00 H new ATOM 0 H1 G B 18 -38.147 57.150-194.179 1.00 0.00 H new ATOM 0 H21 G B 18 -35.518 59.125-195.306 1.00 0.00 H new ATOM 0 H22 G B 18 -36.777 58.860-194.095 1.00 0.00 H new ATOM 303 P C B 19 -30.997 53.089-198.759 1.00 0.00 P ATOM 304 OP1 C B 19 -29.587 53.140-199.206 1.00 0.00 O ATOM 305 OP2 C B 19 -31.700 51.789-198.679 1.00 0.00 O ATOM 306 O5' C B 19 -31.097 53.807-197.322 1.00 0.00 O ATOM 307 C5' C B 19 -30.503 55.091-197.113 1.00 0.00 C ATOM 308 C4' C B 19 -30.837 55.648-195.732 1.00 0.00 C ATOM 309 O4' C B 19 -32.246 55.870-195.631 1.00 0.00 O ATOM 310 C3' C B 19 -30.507 54.742-194.489 1.00 0.00 C ATOM 311 O3' C B 19 -29.154 54.872-194.044 1.00 0.00 O ATOM 312 C2' C B 19 -31.446 55.318-193.445 1.00 0.00 C ATOM 313 O2' C B 19 -30.853 56.435-192.771 1.00 0.00 O ATOM 314 C1' C B 19 -32.660 55.744-194.263 1.00 0.00 C ATOM 315 N1 C B 19 -33.772 54.777-194.220 1.00 0.00 N ATOM 316 C2 C B 19 -34.650 54.861-193.152 1.00 0.00 C ATOM 317 O2 C B 19 -34.491 55.725-192.292 1.00 0.00 O ATOM 318 N3 C B 19 -35.676 53.970-193.088 1.00 0.00 N ATOM 319 C4 C B 19 -35.834 53.034-194.034 1.00 0.00 C ATOM 320 N4 C B 19 -36.849 52.175-193.941 1.00 0.00 N ATOM 321 C5 C B 19 -34.930 52.944-195.140 1.00 0.00 C ATOM 322 C6 C B 19 -33.919 53.832-195.193 1.00 0.00 C ATOM 0 H5' C B 19 -30.853 55.783-197.879 1.00 0.00 H new ATOM 0 H5'' C B 19 -29.421 55.014-197.223 1.00 0.00 H new ATOM 0 H4' C B 19 -30.207 56.536-195.682 1.00 0.00 H new ATOM 0 H3' C B 19 -30.626 53.680-194.701 1.00 0.00 H new ATOM 0 H2' C B 19 -31.693 54.607-192.656 1.00 0.00 H new ATOM 0 HO2' C B 19 -29.973 56.622-193.160 1.00 0.00 H new ATOM 0 H1' C B 19 -33.024 56.678-193.836 1.00 0.00 H new ATOM 0 H41 C B 19 -36.978 51.459-194.656 1.00 0.00 H new ATOM 0 H42 C B 19 -37.497 52.234-193.155 1.00 0.00 H new ATOM 0 H5 C B 19 -35.054 52.191-195.904 1.00 0.00 H new ATOM 0 H6 C B 19 -33.218 53.796-196.014 1.00 0.00 H new ATOM 334 P A B 20 -28.427 53.655-193.283 1.00 0.00 P ATOM 335 OP1 A B 20 -27.002 54.008-193.098 1.00 0.00 O ATOM 336 OP2 A B 20 -28.792 52.395-193.969 1.00 0.00 O ATOM 337 O5' A B 20 -29.142 53.667-191.841 1.00 0.00 O ATOM 338 C5' A B 20 -28.948 54.765-190.947 1.00 0.00 C ATOM 339 C4' A B 20 -29.817 54.634-189.699 1.00 0.00 C ATOM 340 O4' A B 20 -31.198 54.697-190.069 1.00 0.00 O ATOM 341 C3' A B 20 -29.742 53.307-188.880 1.00 0.00 C ATOM 342 O3' A B 20 -28.644 53.296-187.966 1.00 0.00 O ATOM 343 C2' A B 20 -31.049 53.341-188.109 1.00 0.00 C ATOM 344 O2' A B 20 -30.912 54.063-186.880 1.00 0.00 O ATOM 345 C1' A B 20 -31.997 54.050-189.067 1.00 0.00 C ATOM 346 N9 A B 20 -32.930 53.144-189.760 1.00 0.00 N ATOM 347 C8 A B 20 -32.811 52.572-190.999 1.00 0.00 C ATOM 348 N7 A B 20 -33.812 51.800-191.324 1.00 0.00 N ATOM 349 C5 A B 20 -34.655 51.868-190.219 1.00 0.00 C ATOM 350 C6 A B 20 -35.893 51.271-189.933 1.00 0.00 C ATOM 351 N6 A B 20 -36.521 50.453-190.777 1.00 0.00 N ATOM 352 N1 A B 20 -36.453 51.553-188.744 1.00 0.00 N ATOM 353 C2 A B 20 -35.821 52.369-187.908 1.00 0.00 C ATOM 354 N3 A B 20 -34.660 52.987-188.061 1.00 0.00 N ATOM 355 C4 A B 20 -34.125 52.685-189.262 1.00 0.00 C ATOM 0 H5' A B 20 -29.184 55.698-191.459 1.00 0.00 H new ATOM 0 H5'' A B 20 -27.899 54.817-190.657 1.00 0.00 H new ATOM 0 H4' A B 20 -29.427 55.442-189.080 1.00 0.00 H new ATOM 0 H3' A B 20 -29.599 52.430-189.512 1.00 0.00 H new ATOM 0 H2' A B 20 -31.398 52.351-187.818 1.00 0.00 H new ATOM 0 HO2' A B 20 -29.986 54.367-186.781 1.00 0.00 H new ATOM 0 H1' A B 20 -32.597 54.741-188.475 1.00 0.00 H new ATOM 0 H8 A B 20 -31.965 52.744-191.648 1.00 0.00 H new ATOM 0 H61 A B 20 -37.420 50.046-190.519 1.00 0.00 H new ATOM 0 H62 A B 20 -36.103 50.234-191.681 1.00 0.00 H new ATOM 0 H2 A B 20 -36.325 52.555-186.971 1.00 0.00 H new ATOM 367 P C B 21 -27.952 51.905-187.541 1.00 0.00 P ATOM 368 OP1 C B 21 -26.774 52.212-186.699 1.00 0.00 O ATOM 369 OP2 C B 21 -27.795 51.075-188.757 1.00 0.00 O ATOM 370 O5' C B 21 -29.076 51.227-186.608 1.00 0.00 O ATOM 371 C5' C B 21 -29.429 51.817-185.355 1.00 0.00 C ATOM 372 C4' C B 21 -30.546 51.042-184.659 1.00 0.00 C ATOM 373 O4' C B 21 -31.739 51.113-185.442 1.00 0.00 O ATOM 374 C3' C B 21 -30.358 49.501-184.447 1.00 0.00 C ATOM 375 O3' C B 21 -29.619 49.211-183.258 1.00 0.00 O ATOM 376 C2' C B 21 -31.788 49.014-184.290 1.00 0.00 C ATOM 377 O2' C B 21 -32.195 49.028-182.917 1.00 0.00 O ATOM 378 C1' C B 21 -32.596 50.008-185.118 1.00 0.00 C ATOM 379 N1 C B 21 -33.104 49.450-186.385 1.00 0.00 N ATOM 380 C2 C B 21 -34.286 48.730-186.335 1.00 0.00 C ATOM 381 O2 C B 21 -34.877 48.590-185.267 1.00 0.00 O ATOM 382 N3 C B 21 -34.766 48.196-187.491 1.00 0.00 N ATOM 383 C4 C B 21 -34.112 48.363-188.648 1.00 0.00 C ATOM 384 N4 C B 21 -34.609 47.825-189.763 1.00 0.00 N ATOM 385 C5 C B 21 -32.891 49.106-188.705 1.00 0.00 C ATOM 386 C6 C B 21 -32.426 49.630-187.555 1.00 0.00 C ATOM 0 H5' C B 21 -29.746 52.847-185.515 1.00 0.00 H new ATOM 0 H5'' C B 21 -28.552 51.850-184.709 1.00 0.00 H new ATOM 0 H4' C B 21 -30.564 51.522-183.681 1.00 0.00 H new ATOM 0 H3' C B 21 -29.804 49.033-185.261 1.00 0.00 H new ATOM 0 H2' C B 21 -31.922 47.983-184.618 1.00 0.00 H new ATOM 0 HO2' C B 21 -33.119 48.711-182.847 1.00 0.00 H new ATOM 0 H1' C B 21 -33.460 50.296-184.519 1.00 0.00 H new ATOM 0 H41 C B 21 -34.119 47.946-190.650 1.00 0.00 H new ATOM 0 H42 C B 21 -35.479 47.293-189.729 1.00 0.00 H new ATOM 0 H5 C B 21 -32.361 49.242-189.636 1.00 0.00 H new ATOM 0 H6 C B 21 -31.508 50.198-187.559 1.00 0.00 H new ATOM 398 P C B 22 -28.747 47.861-183.153 1.00 0.00 P ATOM 399 OP1 C B 22 -27.951 47.920-181.907 1.00 0.00 O ATOM 400 OP2 C B 22 -28.069 47.644-184.451 1.00 0.00 O ATOM 401 O5' C B 22 -29.874 46.725-182.977 1.00 0.00 O ATOM 402 C5' C B 22 -30.678 46.677-181.795 1.00 0.00 C ATOM 403 C4' C B 22 -31.771 45.617-181.899 1.00 0.00 C ATOM 404 O4' C B 22 -32.681 45.962-182.946 1.00 0.00 O ATOM 405 C3' C B 22 -31.371 44.153-182.262 1.00 0.00 C ATOM 406 O3' C B 22 -30.986 43.419-181.097 1.00 0.00 O ATOM 407 C2' C B 22 -32.649 43.567-182.840 1.00 0.00 C ATOM 408 O2' C B 22 -33.410 42.886-181.837 1.00 0.00 O ATOM 409 C1' C B 22 -33.394 44.791-183.369 1.00 0.00 C ATOM 410 N1 C B 22 -33.491 44.835-184.841 1.00 0.00 N ATOM 411 C2 C B 22 -34.529 44.134-185.431 1.00 0.00 C ATOM 412 O2 C B 22 -35.326 43.510-184.735 1.00 0.00 O ATOM 413 N3 C B 22 -34.629 44.151-186.789 1.00 0.00 N ATOM 414 C4 C B 22 -33.746 44.828-187.536 1.00 0.00 C ATOM 415 N4 C B 22 -33.871 44.821-188.863 1.00 0.00 N ATOM 416 C5 C B 22 -32.673 45.555-186.928 1.00 0.00 C ATOM 417 C6 C B 22 -32.584 45.532-185.584 1.00 0.00 C ATOM 0 H5' C B 22 -31.132 47.653-181.624 1.00 0.00 H new ATOM 0 H5'' C B 22 -30.046 46.464-180.933 1.00 0.00 H new ATOM 0 H4' C B 22 -32.153 45.620-180.878 1.00 0.00 H new ATOM 0 H3' C B 22 -30.523 44.113-182.946 1.00 0.00 H new ATOM 0 H2' C B 22 -32.461 42.820-183.611 1.00 0.00 H new ATOM 0 HO2' C B 22 -33.579 41.964-182.124 1.00 0.00 H new ATOM 0 H1' C B 22 -34.409 44.742-182.975 1.00 0.00 H new ATOM 0 H41 C B 22 -33.204 45.333-189.441 1.00 0.00 H new ATOM 0 H42 C B 22 -34.633 44.304-189.301 1.00 0.00 H new ATOM 0 H5 C B 22 -31.960 46.103-187.526 1.00 0.00 H new ATOM 0 H6 C B 22 -31.788 46.070-185.091 1.00 0.00 H new ATOM 429 P C B 23 -30.030 42.130-181.226 1.00 0.00 P ATOM 430 OP1 C B 23 -29.379 41.904-179.917 1.00 0.00 O ATOM 431 OP2 C B 23 -29.204 42.285-182.445 1.00 0.00 O ATOM 432 O5' C B 23 -31.081 40.938-181.480 1.00 0.00 O ATOM 433 C5' C B 23 -32.038 40.586-180.476 1.00 0.00 C ATOM 434 C4' C B 23 -32.864 39.372-180.892 1.00 0.00 C ATOM 435 O4' C B 23 -33.738 39.742-181.961 1.00 0.00 O ATOM 436 C3' C B 23 -32.031 38.171-181.346 1.00 0.00 C ATOM 437 O3' C B 23 -32.402 36.997-180.617 1.00 0.00 O ATOM 438 C2' C B 23 -32.331 38.013-182.832 1.00 0.00 C ATOM 439 O2' C B 23 -32.550 36.639-183.169 1.00 0.00 O ATOM 440 C1' C B 23 -33.590 38.839-183.060 1.00 0.00 C ATOM 441 N1 C B 23 -33.562 39.647-184.298 1.00 0.00 N ATOM 442 C2 C B 23 -34.558 39.415-185.233 1.00 0.00 C ATOM 443 O2 C B 23 -35.397 38.538-185.037 1.00 0.00 O ATOM 444 N3 C B 23 -34.553 40.152-186.379 1.00 0.00 N ATOM 445 C4 C B 23 -33.608 41.078-186.598 1.00 0.00 C ATOM 446 N4 C B 23 -33.629 41.784-187.729 1.00 0.00 N ATOM 447 C5 C B 23 -32.578 41.319-185.634 1.00 0.00 C ATOM 448 C6 C B 23 -32.594 40.585-184.505 1.00 0.00 C ATOM 0 H5' C B 23 -32.700 41.432-180.291 1.00 0.00 H new ATOM 0 H5'' C B 23 -31.523 40.373-179.539 1.00 0.00 H new ATOM 0 H4' C B 23 -33.411 39.061-180.002 1.00 0.00 H new ATOM 0 H3' C B 23 -30.966 38.319-181.166 1.00 0.00 H new ATOM 0 H2' C B 23 -31.502 38.345-183.457 1.00 0.00 H new ATOM 0 HO2' C B 23 -32.984 36.183-182.418 1.00 0.00 H new ATOM 0 HO3' C B 23 -33.371 36.994-180.473 1.00 0.00 H new ATOM 0 H1' C B 23 -34.415 38.132-183.150 1.00 0.00 H new ATOM 0 H41 C B 23 -32.914 42.490-187.903 1.00 0.00 H new ATOM 0 H42 C B 23 -34.360 41.618-188.420 1.00 0.00 H new ATOM 0 H5 C B 23 -31.815 42.063-185.806 1.00 0.00 H new ATOM 0 H6 C B 23 -31.832 40.741-183.756 1.00 0.00 H new TER 461 C B 23