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 7:sc= -1.47! USER MOD Single : A 2 G O2' : rot 180:sc= -1.87! USER MOD Single : A 3 G O2' : rot -150:sc= -2! USER MOD Single : A 4 U O2' : rot 6:sc= -1.67! USER MOD Single : A 5 G O2' : rot 1:sc= -2.83! USER MOD Single : A 6 U O2' : rot 164:sc= -6.02! USER MOD Single : A 7 A O2' : rot 180:sc= 0 USER MOD Single : A 7 A O3' : rot 132:sc= 0.369 USER MOD Single : B 17 A O2' : rot 59:sc= -3.32! USER MOD Single : B 18 G O2' : rot -0:sc= -0.963 USER MOD Single : B 19 C O2' : rot 4:sc= -1.04 USER MOD Single : B 20 A O2' : rot -0:sc= -1.36! USER MOD Single : B 21 C O2' : rot 180:sc= -1.53! USER MOD Single : B 22 C O2' : rot -125:sc= -0.871 USER MOD Single : B 23 C O2' : rot 20:sc= 0.344 USER MOD Single : B 23 C O3' : rot 37:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -35.523 37.239-196.990 1.00 0.00 O ATOM 2 P G A 1 -37.087 37.303-197.365 1.00 0.00 P ATOM 3 OP1 G A 1 -37.405 38.685-197.787 1.00 0.00 O ATOM 4 OP2 G A 1 -37.397 36.167-198.261 1.00 0.00 O ATOM 5 O5' G A 1 -37.800 37.034-195.946 1.00 0.00 O ATOM 6 C5' G A 1 -38.567 35.847-195.731 1.00 0.00 C ATOM 7 C4' G A 1 -39.038 35.738-194.283 1.00 0.00 C ATOM 8 O4' G A 1 -37.908 35.568-193.428 1.00 0.00 O ATOM 9 C3' G A 1 -39.816 36.985-193.705 1.00 0.00 C ATOM 10 O3' G A 1 -41.227 36.896-193.926 1.00 0.00 O ATOM 11 C2' G A 1 -39.526 36.861-192.217 1.00 0.00 C ATOM 12 O2' G A 1 -40.515 36.058-191.562 1.00 0.00 O ATOM 13 C1' G A 1 -38.152 36.198-192.164 1.00 0.00 C ATOM 14 N9 G A 1 -37.044 37.140-191.919 1.00 0.00 N ATOM 15 C8 G A 1 -36.220 37.750-192.827 1.00 0.00 C ATOM 16 N7 G A 1 -35.330 38.536-192.289 1.00 0.00 N ATOM 17 C5 G A 1 -35.580 38.442-190.924 1.00 0.00 C ATOM 18 C6 G A 1 -34.927 39.077-189.833 1.00 0.00 C ATOM 19 O6 G A 1 -33.982 39.862-189.862 1.00 0.00 O ATOM 20 N1 G A 1 -35.491 38.709-188.618 1.00 0.00 N ATOM 21 C2 G A 1 -36.551 37.840-188.469 1.00 0.00 C ATOM 22 N2 G A 1 -36.954 37.609-187.220 1.00 0.00 N ATOM 23 N3 G A 1 -37.166 37.242-189.494 1.00 0.00 N ATOM 24 C4 G A 1 -36.628 37.589-190.687 1.00 0.00 C ATOM 0 H5' G A 1 -37.966 34.974-195.986 1.00 0.00 H new ATOM 0 H5'' G A 1 -39.430 35.845-196.396 1.00 0.00 H new ATOM 0 H4' G A 1 -39.729 34.895-194.302 1.00 0.00 H new ATOM 0 H3' G A 1 -39.511 37.925-194.166 1.00 0.00 H new ATOM 0 H2' G A 1 -39.546 37.823-191.705 1.00 0.00 H new ATOM 0 HO2' G A 1 -41.114 35.666-192.231 1.00 0.00 H new ATOM 0 H1' G A 1 -38.176 35.495-191.331 1.00 0.00 H new ATOM 0 H8 G A 1 -36.300 37.594-193.893 1.00 0.00 H new ATOM 0 H1 G A 1 -35.090 39.113-187.771 1.00 0.00 H new ATOM 0 H21 G A 1 -37.734 36.975-187.045 1.00 0.00 H new ATOM 0 H22 G A 1 -36.483 38.066-186.439 1.00 0.00 H new ATOM 37 P G A 2 -42.116 38.228-194.086 1.00 0.00 P ATOM 38 OP1 G A 2 -43.495 37.824-194.440 1.00 0.00 O ATOM 39 OP2 G A 2 -41.379 39.176-194.952 1.00 0.00 O ATOM 40 O5' G A 2 -42.134 38.821-192.588 1.00 0.00 O ATOM 41 C5' G A 2 -42.773 38.098-191.533 1.00 0.00 C ATOM 42 C4' G A 2 -42.544 38.759-190.176 1.00 0.00 C ATOM 43 O4' G A 2 -41.154 38.724-189.849 1.00 0.00 O ATOM 44 C3' G A 2 -42.934 40.285-190.019 1.00 0.00 C ATOM 45 O3' G A 2 -44.317 40.482-189.716 1.00 0.00 O ATOM 46 C2' G A 2 -42.086 40.677-188.820 1.00 0.00 C ATOM 47 O2' G A 2 -42.770 40.412-187.590 1.00 0.00 O ATOM 48 C1' G A 2 -40.839 39.807-188.961 1.00 0.00 C ATOM 49 N9 G A 2 -39.679 40.523-189.523 1.00 0.00 N ATOM 50 C8 G A 2 -39.239 40.553-190.820 1.00 0.00 C ATOM 51 N7 G A 2 -38.185 41.297-191.003 1.00 0.00 N ATOM 52 C5 G A 2 -37.901 41.795-189.736 1.00 0.00 C ATOM 53 C6 G A 2 -36.860 42.666-189.314 1.00 0.00 C ATOM 54 O6 G A 2 -35.971 43.177-189.991 1.00 0.00 O ATOM 55 N1 G A 2 -36.932 42.921-187.951 1.00 0.00 N ATOM 56 C2 G A 2 -37.884 42.405-187.098 1.00 0.00 C ATOM 57 N2 G A 2 -37.789 42.765-185.818 1.00 0.00 N ATOM 58 N3 G A 2 -38.865 41.587-187.493 1.00 0.00 N ATOM 59 C4 G A 2 -38.811 41.326-188.822 1.00 0.00 C ATOM 0 H5' G A 2 -42.392 37.077-191.509 1.00 0.00 H new ATOM 0 H5'' G A 2 -43.843 38.035-191.731 1.00 0.00 H new ATOM 0 H4' G A 2 -43.205 38.178-189.533 1.00 0.00 H new ATOM 0 H3' G A 2 -42.769 40.860-190.930 1.00 0.00 H new ATOM 0 H2' G A 2 -41.856 41.742-188.797 1.00 0.00 H new ATOM 0 HO2' G A 2 -42.201 40.673-186.836 1.00 0.00 H new ATOM 0 H1' G A 2 -40.564 39.475-187.960 1.00 0.00 H new ATOM 0 H8 G A 2 -39.722 40.009-191.618 1.00 0.00 H new ATOM 0 H1 G A 2 -36.226 43.538-187.550 1.00 0.00 H new ATOM 0 H21 G A 2 -38.465 42.416-185.138 1.00 0.00 H new ATOM 0 H22 G A 2 -37.041 43.390-185.518 1.00 0.00 H new ATOM 71 P G A 3 -45.037 41.877-190.072 1.00 0.00 P ATOM 72 OP1 G A 3 -46.486 41.731-189.809 1.00 0.00 O ATOM 73 OP2 G A 3 -44.568 42.313-191.406 1.00 0.00 O ATOM 74 O5' G A 3 -44.424 42.878-188.971 1.00 0.00 O ATOM 75 C5' G A 3 -44.696 42.679-187.581 1.00 0.00 C ATOM 76 C4' G A 3 -43.921 43.663-186.710 1.00 0.00 C ATOM 77 O4' G A 3 -42.517 43.432-186.857 1.00 0.00 O ATOM 78 C3' G A 3 -44.043 45.205-186.990 1.00 0.00 C ATOM 79 O3' G A 3 -45.202 45.765-186.365 1.00 0.00 O ATOM 80 C2' G A 3 -42.791 45.748-186.322 1.00 0.00 C ATOM 81 O2' G A 3 -43.026 46.050-184.941 1.00 0.00 O ATOM 82 C1' G A 3 -41.789 44.610-186.479 1.00 0.00 C ATOM 83 N9 G A 3 -40.770 44.855-187.515 1.00 0.00 N ATOM 84 C8 G A 3 -40.762 44.449-188.823 1.00 0.00 C ATOM 85 N7 G A 3 -39.714 44.840-189.492 1.00 0.00 N ATOM 86 C5 G A 3 -38.971 45.557-188.562 1.00 0.00 C ATOM 87 C6 G A 3 -37.725 46.225-188.711 1.00 0.00 C ATOM 88 O6 G A 3 -37.024 46.314-189.716 1.00 0.00 O ATOM 89 N1 G A 3 -37.324 46.826-187.526 1.00 0.00 N ATOM 90 C2 G A 3 -38.031 46.792-186.342 1.00 0.00 C ATOM 91 N2 G A 3 -37.483 47.430-185.308 1.00 0.00 N ATOM 92 N3 G A 3 -39.203 46.165-186.199 1.00 0.00 N ATOM 93 C4 G A 3 -39.610 45.572-187.347 1.00 0.00 C ATOM 0 H5' G A 3 -44.433 41.659-187.301 1.00 0.00 H new ATOM 0 H5'' G A 3 -45.764 42.794-187.399 1.00 0.00 H new ATOM 0 H4' G A 3 -44.373 43.464-185.738 1.00 0.00 H new ATOM 0 H3' G A 3 -44.135 45.439-188.051 1.00 0.00 H new ATOM 0 H2' G A 3 -42.445 46.683-186.763 1.00 0.00 H new ATOM 0 HO2' G A 3 -42.445 46.789-184.664 1.00 0.00 H new ATOM 0 H1' G A 3 -41.268 44.508-185.527 1.00 0.00 H new ATOM 0 H8 G A 3 -41.553 43.858-189.261 1.00 0.00 H new ATOM 0 H1 G A 3 -36.438 47.332-187.531 1.00 0.00 H new ATOM 0 H21 G A 3 -37.958 47.441-184.405 1.00 0.00 H new ATOM 0 H22 G A 3 -36.589 47.908-185.419 1.00 0.00 H new ATOM 105 P U A 4 -45.867 47.112-186.942 1.00 0.00 P ATOM 106 OP1 U A 4 -47.149 47.336-186.238 1.00 0.00 O ATOM 107 OP2 U A 4 -45.838 47.045-188.420 1.00 0.00 O ATOM 108 O5' U A 4 -44.826 48.246-186.469 1.00 0.00 O ATOM 109 C5' U A 4 -44.640 48.524-185.078 1.00 0.00 C ATOM 110 C4' U A 4 -43.576 49.594-184.857 1.00 0.00 C ATOM 111 O4' U A 4 -42.309 49.115-185.319 1.00 0.00 O ATOM 112 C3' U A 4 -43.715 50.967-185.600 1.00 0.00 C ATOM 113 O3' U A 4 -44.583 51.866-184.905 1.00 0.00 O ATOM 114 C2' U A 4 -42.291 51.492-185.552 1.00 0.00 C ATOM 115 O2' U A 4 -42.043 52.219-184.343 1.00 0.00 O ATOM 116 C1' U A 4 -41.451 50.223-185.619 1.00 0.00 C ATOM 117 N1 U A 4 -40.851 49.976-186.942 1.00 0.00 N ATOM 118 C2 U A 4 -39.662 50.617-187.233 1.00 0.00 C ATOM 119 O2 U A 4 -39.105 51.359-186.427 1.00 0.00 O ATOM 120 N3 U A 4 -39.131 50.372-188.486 1.00 0.00 N ATOM 121 C4 U A 4 -39.679 49.554-189.460 1.00 0.00 C ATOM 122 O4 U A 4 -39.120 49.409-190.546 1.00 0.00 O ATOM 123 C5 U A 4 -40.921 48.925-189.069 1.00 0.00 C ATOM 124 C6 U A 4 -41.460 49.151-187.846 1.00 0.00 C ATOM 0 H5' U A 4 -44.351 47.610-184.559 1.00 0.00 H new ATOM 0 H5'' U A 4 -45.584 48.853-184.643 1.00 0.00 H new ATOM 0 H4' U A 4 -43.688 49.776-183.788 1.00 0.00 H new ATOM 0 H3' U A 4 -44.138 50.868-186.600 1.00 0.00 H new ATOM 0 H2' U A 4 -42.068 52.194-186.356 1.00 0.00 H new ATOM 0 HO2' U A 4 -42.822 52.148-183.753 1.00 0.00 H new ATOM 0 H1' U A 4 -40.633 50.342-184.909 1.00 0.00 H new ATOM 0 H3 U A 4 -38.253 50.838-188.715 1.00 0.00 H new ATOM 0 H5 U A 4 -41.426 48.267-189.760 1.00 0.00 H new ATOM 0 H6 U A 4 -42.390 48.669-187.580 1.00 0.00 H new ATOM 135 P G A 5 -45.368 53.020-185.707 1.00 0.00 P ATOM 136 OP1 G A 5 -46.299 53.685-184.770 1.00 0.00 O ATOM 137 OP2 G A 5 -45.878 52.440-186.970 1.00 0.00 O ATOM 138 O5' G A 5 -44.191 54.057-186.069 1.00 0.00 O ATOM 139 C5' G A 5 -43.497 54.755-185.032 1.00 0.00 C ATOM 140 C4' G A 5 -42.347 55.591-185.586 1.00 0.00 C ATOM 141 O4' G A 5 -41.373 54.730-186.180 1.00 0.00 O ATOM 142 C3' G A 5 -42.636 56.637-186.739 1.00 0.00 C ATOM 143 O3' G A 5 -43.085 57.891-186.217 1.00 0.00 O ATOM 144 C2' G A 5 -41.261 56.809-187.366 1.00 0.00 C ATOM 145 O2' G A 5 -40.535 57.876-186.745 1.00 0.00 O ATOM 146 C1' G A 5 -40.583 55.464-187.124 1.00 0.00 C ATOM 147 N9 G A 5 -40.457 54.634-188.337 1.00 0.00 N ATOM 148 C8 G A 5 -41.273 53.623-188.774 1.00 0.00 C ATOM 149 N7 G A 5 -40.887 53.078-189.894 1.00 0.00 N ATOM 150 C5 G A 5 -39.731 53.779-190.225 1.00 0.00 C ATOM 151 C6 G A 5 -38.867 53.631-191.344 1.00 0.00 C ATOM 152 O6 G A 5 -38.958 52.838-192.279 1.00 0.00 O ATOM 153 N1 G A 5 -37.815 54.537-191.298 1.00 0.00 N ATOM 154 C2 G A 5 -37.617 55.469-190.301 1.00 0.00 C ATOM 155 N2 G A 5 -36.548 56.253-190.430 1.00 0.00 N ATOM 156 N3 G A 5 -38.429 55.608-189.248 1.00 0.00 N ATOM 157 C4 G A 5 -39.461 54.733-189.277 1.00 0.00 C ATOM 0 H5' G A 5 -43.110 54.039-184.307 1.00 0.00 H new ATOM 0 H5'' G A 5 -44.194 55.402-184.500 1.00 0.00 H new ATOM 0 H4' G A 5 -42.057 56.149-184.696 1.00 0.00 H new ATOM 0 H3' G A 5 -43.415 56.305-187.425 1.00 0.00 H new ATOM 0 H2' G A 5 -41.311 57.072-188.423 1.00 0.00 H new ATOM 0 HO2' G A 5 -41.080 58.271-186.033 1.00 0.00 H new ATOM 0 H1' G A 5 -39.575 55.678-186.767 1.00 0.00 H new ATOM 0 H8 G A 5 -42.156 53.306-188.239 1.00 0.00 H new ATOM 0 H1 G A 5 -37.137 54.511-192.060 1.00 0.00 H new ATOM 0 H21 G A 5 -36.348 56.962-189.725 1.00 0.00 H new ATOM 0 H22 G A 5 -35.930 56.144-191.234 1.00 0.00 H new ATOM 169 P U A 6 -44.037 58.846-187.094 1.00 0.00 P ATOM 170 OP1 U A 6 -44.451 59.990-186.251 1.00 0.00 O ATOM 171 OP2 U A 6 -45.063 58.002-187.747 1.00 0.00 O ATOM 172 O5' U A 6 -43.036 59.392-188.230 1.00 0.00 O ATOM 173 C5' U A 6 -41.911 60.202-187.878 1.00 0.00 C ATOM 174 C4' U A 6 -41.164 60.695-189.114 1.00 0.00 C ATOM 175 O4' U A 6 -40.538 59.586-189.762 1.00 0.00 O ATOM 176 C3' U A 6 -42.069 61.401-190.140 1.00 0.00 C ATOM 177 O3' U A 6 -41.410 62.578-190.616 1.00 0.00 O ATOM 178 C2' U A 6 -42.190 60.394-191.277 1.00 0.00 C ATOM 179 O2' U A 6 -42.210 61.049-192.550 1.00 0.00 O ATOM 180 C1' U A 6 -40.956 59.518-191.126 1.00 0.00 C ATOM 181 N1 U A 6 -41.187 58.097-191.449 1.00 0.00 N ATOM 182 C2 U A 6 -40.399 57.528-192.433 1.00 0.00 C ATOM 183 O2 U A 6 -39.532 58.166-193.026 1.00 0.00 O ATOM 184 N3 U A 6 -40.643 56.196-192.711 1.00 0.00 N ATOM 185 C4 U A 6 -41.594 55.394-192.100 1.00 0.00 C ATOM 186 O4 U A 6 -41.725 54.217-192.427 1.00 0.00 O ATOM 187 C5 U A 6 -42.370 56.072-191.086 1.00 0.00 C ATOM 188 C6 U A 6 -42.150 57.376-190.796 1.00 0.00 C ATOM 0 H5' U A 6 -41.232 59.628-187.247 1.00 0.00 H new ATOM 0 H5'' U A 6 -42.247 61.056-187.290 1.00 0.00 H new ATOM 0 H4' U A 6 -40.436 61.425-188.761 1.00 0.00 H new ATOM 0 H3' U A 6 -43.034 61.697-189.729 1.00 0.00 H new ATOM 0 H2' U A 6 -43.116 59.821-191.231 1.00 0.00 H new ATOM 0 HO2' U A 6 -42.035 60.394-193.258 1.00 0.00 H new ATOM 0 H1' U A 6 -40.211 59.892-191.828 1.00 0.00 H new ATOM 0 H3 U A 6 -40.069 55.762-193.434 1.00 0.00 H new ATOM 0 H5 U A 6 -43.137 55.530-190.552 1.00 0.00 H new ATOM 0 H6 U A 6 -42.746 57.857-190.034 1.00 0.00 H new ATOM 199 P A A 7 -42.166 63.586-191.619 1.00 0.00 P ATOM 200 OP1 A A 7 -41.651 64.952-191.378 1.00 0.00 O ATOM 201 OP2 A A 7 -43.619 63.319-191.535 1.00 0.00 O ATOM 202 O5' A A 7 -41.648 63.099-193.064 1.00 0.00 O ATOM 203 C5' A A 7 -40.264 63.196-193.409 1.00 0.00 C ATOM 204 C4' A A 7 -40.000 62.670-194.818 1.00 0.00 C ATOM 205 O4' A A 7 -40.161 61.250-194.832 1.00 0.00 O ATOM 206 C3' A A 7 -40.947 63.264-195.897 1.00 0.00 C ATOM 207 O3' A A 7 -40.187 63.817-196.977 1.00 0.00 O ATOM 208 C2' A A 7 -41.796 62.091-196.362 1.00 0.00 C ATOM 209 O2' A A 7 -41.977 62.114-197.782 1.00 0.00 O ATOM 210 C1' A A 7 -40.999 60.867-195.928 1.00 0.00 C ATOM 211 N9 A A 7 -41.836 59.741-195.472 1.00 0.00 N ATOM 212 C8 A A 7 -42.899 59.755-194.606 1.00 0.00 C ATOM 213 N7 A A 7 -43.433 58.581-194.406 1.00 0.00 N ATOM 214 C5 A A 7 -42.668 57.729-195.198 1.00 0.00 C ATOM 215 C6 A A 7 -42.723 56.345-195.430 1.00 0.00 C ATOM 216 N6 A A 7 -43.623 55.543-194.858 1.00 0.00 N ATOM 217 N1 A A 7 -41.814 55.825-196.271 1.00 0.00 N ATOM 218 C2 A A 7 -40.921 56.628-196.837 1.00 0.00 C ATOM 219 N3 A A 7 -40.768 57.936-196.700 1.00 0.00 N ATOM 220 C4 A A 7 -41.693 58.429-195.850 1.00 0.00 C ATOM 0 H5' A A 7 -39.669 62.631-192.691 1.00 0.00 H new ATOM 0 H5'' A A 7 -39.943 64.236-193.342 1.00 0.00 H new ATOM 0 H4' A A 7 -38.983 62.973-195.066 1.00 0.00 H new ATOM 0 H3' A A 7 -41.563 64.076-195.510 1.00 0.00 H new ATOM 0 H2' A A 7 -42.801 62.108-195.940 1.00 0.00 H new ATOM 0 HO2' A A 7 -42.525 61.348-198.054 1.00 0.00 H new ATOM 0 HO3' A A 7 -40.549 63.496-197.829 1.00 0.00 H new ATOM 0 H1' A A 7 -40.441 60.527-196.800 1.00 0.00 H new ATOM 0 H8 A A 7 -43.261 60.655-194.133 1.00 0.00 H new ATOM 0 H61 A A 7 -43.618 54.544-195.062 1.00 0.00 H new ATOM 0 H62 A A 7 -44.316 55.929-194.217 1.00 0.00 H new ATOM 0 H2 A A 7 -40.221 56.146-197.503 1.00 0.00 H new TER 233 A A 7 ATOM 234 OP3 A B 17 -41.496 50.576-205.734 1.00 0.00 O ATOM 235 P A B 17 -42.011 51.909-204.992 1.00 0.00 P ATOM 236 OP1 A B 17 -42.897 52.644-205.922 1.00 0.00 O ATOM 237 OP2 A B 17 -42.502 51.532-203.648 1.00 0.00 O ATOM 238 O5' A B 17 -40.654 52.757-204.813 1.00 0.00 O ATOM 239 C5' A B 17 -40.030 53.375-205.942 1.00 0.00 C ATOM 240 C4' A B 17 -38.834 54.227-205.527 1.00 0.00 C ATOM 241 O4' A B 17 -39.295 55.390-204.832 1.00 0.00 O ATOM 242 C3' A B 17 -37.848 53.501-204.611 1.00 0.00 C ATOM 243 O3' A B 17 -36.512 53.861-204.975 1.00 0.00 O ATOM 244 C2' A B 17 -38.158 54.045-203.226 1.00 0.00 C ATOM 245 O2' A B 17 -36.977 54.132-202.423 1.00 0.00 O ATOM 246 C1' A B 17 -38.738 55.422-203.514 1.00 0.00 C ATOM 247 N9 A B 17 -39.809 55.830-202.587 1.00 0.00 N ATOM 248 C8 A B 17 -40.923 55.132-202.198 1.00 0.00 C ATOM 249 N7 A B 17 -41.685 55.778-201.359 1.00 0.00 N ATOM 250 C5 A B 17 -41.027 56.992-201.180 1.00 0.00 C ATOM 251 C6 A B 17 -41.321 58.127-200.406 1.00 0.00 C ATOM 252 N6 A B 17 -42.403 58.224-199.634 1.00 0.00 N ATOM 253 N1 A B 17 -40.455 59.153-200.463 1.00 0.00 N ATOM 254 C2 A B 17 -39.379 59.050-201.233 1.00 0.00 C ATOM 255 N3 A B 17 -38.996 58.044-202.002 1.00 0.00 N ATOM 256 C4 A B 17 -39.884 57.031-201.925 1.00 0.00 C ATOM 0 H5' A B 17 -40.757 53.997-206.465 1.00 0.00 H new ATOM 0 H5'' A B 17 -39.704 52.607-206.644 1.00 0.00 H new ATOM 0 H4' A B 17 -38.310 54.477-206.450 1.00 0.00 H new ATOM 0 H3' A B 17 -37.933 52.416-204.669 1.00 0.00 H new ATOM 0 H2' A B 17 -38.838 53.408-202.661 1.00 0.00 H new ATOM 0 HO2' A B 17 -36.326 54.720-202.861 1.00 0.00 H new ATOM 0 H1' A B 17 -37.926 56.141-203.400 1.00 0.00 H new ATOM 0 H8 A B 17 -41.149 54.138-202.554 1.00 0.00 H new ATOM 0 H61 A B 17 -42.568 59.072-199.092 1.00 0.00 H new ATOM 0 H62 A B 17 -43.066 57.450-199.585 1.00 0.00 H new ATOM 0 H2 A B 17 -38.724 59.908-201.232 1.00 0.00 H new ATOM 269 P G B 18 -35.252 53.163-204.256 1.00 0.00 P ATOM 270 OP1 G B 18 -34.131 53.125-205.220 1.00 0.00 O ATOM 271 OP2 G B 18 -35.720 51.914-203.615 1.00 0.00 O ATOM 272 O5' G B 18 -34.885 54.217-203.095 1.00 0.00 O ATOM 273 C5' G B 18 -34.254 53.778-201.889 1.00 0.00 C ATOM 274 C4' G B 18 -33.915 54.951-200.974 1.00 0.00 C ATOM 275 O4' G B 18 -35.122 55.627-200.602 1.00 0.00 O ATOM 276 C3' G B 18 -33.248 54.591-199.636 1.00 0.00 C ATOM 277 O3' G B 18 -31.825 54.530-199.771 1.00 0.00 O ATOM 278 C2' G B 18 -33.624 55.767-198.752 1.00 0.00 C ATOM 279 O2' G B 18 -32.663 56.825-198.855 1.00 0.00 O ATOM 280 C1' G B 18 -34.979 56.196-199.295 1.00 0.00 C ATOM 281 N9 G B 18 -36.120 55.736-198.483 1.00 0.00 N ATOM 282 C8 G B 18 -36.948 54.666-198.694 1.00 0.00 C ATOM 283 N7 G B 18 -37.869 54.522-197.783 1.00 0.00 N ATOM 284 C5 G B 18 -37.636 55.572-196.902 1.00 0.00 C ATOM 285 C6 G B 18 -38.323 55.931-195.710 1.00 0.00 C ATOM 286 O6 G B 18 -39.290 55.378-195.191 1.00 0.00 O ATOM 287 N1 G B 18 -37.766 57.059-195.121 1.00 0.00 N ATOM 288 C2 G B 18 -36.683 57.757-195.616 1.00 0.00 C ATOM 289 N2 G B 18 -36.291 58.818-194.910 1.00 0.00 N ATOM 290 N3 G B 18 -36.036 57.420-196.735 1.00 0.00 N ATOM 291 C4 G B 18 -36.567 56.322-197.322 1.00 0.00 C ATOM 0 H5' G B 18 -33.343 53.231-202.132 1.00 0.00 H new ATOM 0 H5'' G B 18 -34.912 53.085-201.365 1.00 0.00 H new ATOM 0 H4' G B 18 -33.213 55.541-201.563 1.00 0.00 H new ATOM 0 H3' G B 18 -33.563 53.621-199.252 1.00 0.00 H new ATOM 0 H2' G B 18 -33.653 55.510-197.693 1.00 0.00 H new ATOM 0 HO2' G B 18 -31.954 56.563-199.479 1.00 0.00 H new ATOM 0 H1' G B 18 -34.997 57.286-199.290 1.00 0.00 H new ATOM 0 H8 G B 18 -36.847 54.001-199.539 1.00 0.00 H new ATOM 0 H1 G B 18 -38.190 57.397-194.257 1.00 0.00 H new ATOM 0 H21 G B 18 -35.496 59.375-195.225 1.00 0.00 H new ATOM 0 H22 G B 18 -36.786 59.073-194.055 1.00 0.00 H new ATOM 303 P C B 19 -30.966 53.497-198.882 1.00 0.00 P ATOM 304 OP1 C B 19 -29.555 53.570-199.323 1.00 0.00 O ATOM 305 OP2 C B 19 -31.671 52.195-198.876 1.00 0.00 O ATOM 306 O5' C B 19 -31.067 54.132-197.406 1.00 0.00 O ATOM 307 C5' C B 19 -30.474 55.403-197.122 1.00 0.00 C ATOM 308 C4' C B 19 -30.818 55.887-195.716 1.00 0.00 C ATOM 309 O4' C B 19 -32.225 56.118-195.614 1.00 0.00 O ATOM 310 C3' C B 19 -30.497 54.916-194.515 1.00 0.00 C ATOM 311 O3' C B 19 -29.149 55.027-194.051 1.00 0.00 O ATOM 312 C2' C B 19 -31.446 55.440-193.451 1.00 0.00 C ATOM 313 O2' C B 19 -30.852 56.506-192.701 1.00 0.00 O ATOM 314 C1' C B 19 -32.647 55.931-194.255 1.00 0.00 C ATOM 315 N1 C B 19 -33.777 54.984-194.267 1.00 0.00 N ATOM 316 C2 C B 19 -34.652 55.025-193.195 1.00 0.00 C ATOM 317 O2 C B 19 -34.479 55.838-192.289 1.00 0.00 O ATOM 318 N3 C B 19 -35.694 54.150-193.178 1.00 0.00 N ATOM 319 C4 C B 19 -35.870 53.271-194.174 1.00 0.00 C ATOM 320 N4 C B 19 -36.900 52.425-194.125 1.00 0.00 N ATOM 321 C5 C B 19 -34.969 53.227-195.284 1.00 0.00 C ATOM 322 C6 C B 19 -33.941 54.098-195.291 1.00 0.00 C ATOM 0 H5' C B 19 -30.817 56.136-197.853 1.00 0.00 H new ATOM 0 H5'' C B 19 -29.391 55.331-197.227 1.00 0.00 H new ATOM 0 H4' C B 19 -30.184 56.768-195.615 1.00 0.00 H new ATOM 0 H3' C B 19 -30.613 53.866-194.782 1.00 0.00 H new ATOM 0 H2' C B 19 -31.711 54.683-192.713 1.00 0.00 H new ATOM 0 HO2' C B 19 -29.974 56.723-193.079 1.00 0.00 H new ATOM 0 H1' C B 19 -32.994 56.850-193.783 1.00 0.00 H new ATOM 0 H41 C B 19 -37.043 51.752-194.878 1.00 0.00 H new ATOM 0 H42 C B 19 -37.544 52.451-193.335 1.00 0.00 H new ATOM 0 H5 C B 19 -35.108 52.520-196.089 1.00 0.00 H new ATOM 0 H6 C B 19 -33.241 54.095-196.114 1.00 0.00 H new ATOM 334 P A B 20 -28.433 53.780-193.327 1.00 0.00 P ATOM 335 OP1 A B 20 -27.006 54.117-193.127 1.00 0.00 O ATOM 336 OP2 A B 20 -28.806 52.546-194.054 1.00 0.00 O ATOM 337 O5' A B 20 -29.151 53.753-191.886 1.00 0.00 O ATOM 338 C5' A B 20 -28.961 54.823-190.959 1.00 0.00 C ATOM 339 C4' A B 20 -29.828 54.651-189.716 1.00 0.00 C ATOM 340 O4' A B 20 -31.209 54.713-190.087 1.00 0.00 O ATOM 341 C3' A B 20 -29.751 53.306-188.930 1.00 0.00 C ATOM 342 O3' A B 20 -28.655 53.279-188.011 1.00 0.00 O ATOM 343 C2' A B 20 -31.060 53.317-188.159 1.00 0.00 C ATOM 344 O2' A B 20 -30.926 54.010-186.913 1.00 0.00 O ATOM 345 C1' A B 20 -32.007 54.046-189.101 1.00 0.00 C ATOM 346 N9 A B 20 -32.941 53.155-189.811 1.00 0.00 N ATOM 347 C8 A B 20 -32.823 52.611-191.064 1.00 0.00 C ATOM 348 N7 A B 20 -33.822 51.844-191.404 1.00 0.00 N ATOM 349 C5 A B 20 -34.663 51.886-190.295 1.00 0.00 C ATOM 350 C6 A B 20 -35.900 51.280-190.020 1.00 0.00 C ATOM 351 N6 A B 20 -36.528 50.478-190.880 1.00 0.00 N ATOM 352 N1 A B 20 -36.459 51.534-188.824 1.00 0.00 N ATOM 353 C2 A B 20 -35.827 52.333-187.972 1.00 0.00 C ATOM 354 N3 A B 20 -34.667 52.957-188.113 1.00 0.00 N ATOM 355 C4 A B 20 -34.133 52.682-189.321 1.00 0.00 C ATOM 0 H5' A B 20 -29.201 55.770-191.442 1.00 0.00 H new ATOM 0 H5'' A B 20 -27.912 54.870-190.668 1.00 0.00 H new ATOM 0 H4' A B 20 -29.439 55.443-189.076 1.00 0.00 H new ATOM 0 H3' A B 20 -29.605 52.446-189.583 1.00 0.00 H new ATOM 0 H2' A B 20 -31.408 52.319-187.891 1.00 0.00 H new ATOM 0 HO2' A B 20 -30.005 54.329-186.813 1.00 0.00 H new ATOM 0 H1' A B 20 -32.606 54.726-188.495 1.00 0.00 H new ATOM 0 H8 A B 20 -31.979 52.800-191.711 1.00 0.00 H new ATOM 0 H61 A B 20 -37.426 50.064-190.629 1.00 0.00 H new ATOM 0 H62 A B 20 -36.111 50.279-191.789 1.00 0.00 H new ATOM 0 H2 A B 20 -36.330 52.497-187.031 1.00 0.00 H new ATOM 367 P C B 21 -27.968 51.881-187.604 1.00 0.00 P ATOM 368 OP1 C B 21 -26.784 52.173-186.767 1.00 0.00 O ATOM 369 OP2 C B 21 -27.823 51.064-188.830 1.00 0.00 O ATOM 370 O5' C B 21 -29.090 51.199-186.673 1.00 0.00 O ATOM 371 C5' C B 21 -29.438 51.780-185.413 1.00 0.00 C ATOM 372 C4' C B 21 -30.549 50.999-184.719 1.00 0.00 C ATOM 373 O4' C B 21 -31.746 51.068-185.496 1.00 0.00 O ATOM 374 C3' C B 21 -30.360 49.458-184.512 1.00 0.00 C ATOM 375 O3' C B 21 -29.614 49.170-183.326 1.00 0.00 O ATOM 376 C2' C B 21 -31.787 48.965-184.351 1.00 0.00 C ATOM 377 O2' C B 21 -32.188 48.969-182.975 1.00 0.00 O ATOM 378 C1' C B 21 -32.600 49.963-185.170 1.00 0.00 C ATOM 379 N1 C B 21 -33.117 49.410-186.435 1.00 0.00 N ATOM 380 C2 C B 21 -34.298 48.688-186.381 1.00 0.00 C ATOM 381 O2 C B 21 -34.883 48.544-185.310 1.00 0.00 O ATOM 382 N3 C B 21 -34.784 48.159-187.537 1.00 0.00 N ATOM 383 C4 C B 21 -34.136 48.330-188.698 1.00 0.00 C ATOM 384 N4 C B 21 -34.638 47.797-189.810 1.00 0.00 N ATOM 385 C5 C B 21 -32.917 49.076-188.757 1.00 0.00 C ATOM 386 C6 C B 21 -32.445 49.596-187.608 1.00 0.00 C ATOM 0 H5' C B 21 -29.758 52.811-185.564 1.00 0.00 H new ATOM 0 H5'' C B 21 -28.558 51.810-184.771 1.00 0.00 H new ATOM 0 H4' C B 21 -30.562 51.477-183.740 1.00 0.00 H new ATOM 0 H3' C B 21 -29.811 48.992-185.330 1.00 0.00 H new ATOM 0 H2' C B 21 -31.920 47.936-184.684 1.00 0.00 H new ATOM 0 HO2' C B 21 -33.111 48.648-182.902 1.00 0.00 H new ATOM 0 H1' C B 21 -33.459 50.249-184.564 1.00 0.00 H new ATOM 0 H41 C B 21 -34.153 47.921-190.699 1.00 0.00 H new ATOM 0 H42 C B 21 -35.507 47.265-189.773 1.00 0.00 H new ATOM 0 H5 C B 21 -32.393 49.217-189.691 1.00 0.00 H new ATOM 0 H6 C B 21 -31.527 50.165-187.615 1.00 0.00 H new ATOM 398 P C B 22 -28.741 47.822-183.218 1.00 0.00 P ATOM 399 OP1 C B 22 -27.935 47.891-181.980 1.00 0.00 O ATOM 400 OP2 C B 22 -28.075 47.597-184.521 1.00 0.00 O ATOM 401 O5' C B 22 -29.869 46.688-183.026 1.00 0.00 O ATOM 402 C5' C B 22 -30.665 46.653-181.839 1.00 0.00 C ATOM 403 C4' C B 22 -31.755 45.589-181.921 1.00 0.00 C ATOM 404 O4' C B 22 -32.668 45.917-182.969 1.00 0.00 O ATOM 405 C3' C B 22 -31.355 44.119-182.263 1.00 0.00 C ATOM 406 O3' C B 22 -30.970 43.401-181.088 1.00 0.00 O ATOM 407 C2' C B 22 -32.633 43.525-182.832 1.00 0.00 C ATOM 408 O2' C B 22 -33.394 42.858-181.818 1.00 0.00 O ATOM 409 C1' C B 22 -33.379 44.740-183.377 1.00 0.00 C ATOM 410 N1 C B 22 -33.473 44.766-184.849 1.00 0.00 N ATOM 411 C2 C B 22 -34.509 44.056-185.435 1.00 0.00 C ATOM 412 O2 C B 22 -35.308 43.441-184.732 1.00 0.00 O ATOM 413 N3 C B 22 -34.602 44.055-186.792 1.00 0.00 N ATOM 414 C4 C B 22 -33.717 44.722-187.544 1.00 0.00 C ATOM 415 N4 C B 22 -33.836 44.698-188.872 1.00 0.00 N ATOM 416 C5 C B 22 -32.647 45.458-186.942 1.00 0.00 C ATOM 417 C6 C B 22 -32.564 45.452-185.598 1.00 0.00 C ATOM 0 H5' C B 22 -31.121 47.630-181.678 1.00 0.00 H new ATOM 0 H5'' C B 22 -30.026 46.454-180.978 1.00 0.00 H new ATOM 0 H4' C B 22 -32.132 45.605-180.898 1.00 0.00 H new ATOM 0 H3' C B 22 -30.507 44.069-182.946 1.00 0.00 H new ATOM 0 H2' C B 22 -32.445 42.768-183.593 1.00 0.00 H new ATOM 0 HO2' C B 22 -33.575 41.936-182.098 1.00 0.00 H new ATOM 0 H1' C B 22 -34.395 44.693-182.984 1.00 0.00 H new ATOM 0 H41 C B 22 -33.167 45.203-189.453 1.00 0.00 H new ATOM 0 H42 C B 22 -34.596 44.175-189.307 1.00 0.00 H new ATOM 0 H5 C B 22 -31.932 45.999-187.544 1.00 0.00 H new ATOM 0 H6 C B 22 -31.770 45.996-185.109 1.00 0.00 H new ATOM 429 P C B 23 -30.016 42.108-181.196 1.00 0.00 P ATOM 430 OP1 C B 23 -29.361 41.907-179.884 1.00 0.00 O ATOM 431 OP2 C B 23 -29.194 42.237-182.419 1.00 0.00 O ATOM 432 O5' C B 23 -31.070 40.913-181.422 1.00 0.00 O ATOM 433 C5' C B 23 -32.027 40.586-180.410 1.00 0.00 C ATOM 434 C4' C B 23 -32.865 39.372-180.799 1.00 0.00 C ATOM 435 O4' C B 23 -33.739 39.725-181.873 1.00 0.00 O ATOM 436 C3' C B 23 -32.042 38.155-181.228 1.00 0.00 C ATOM 437 O3' C B 23 -32.425 37.000-180.472 1.00 0.00 O ATOM 438 C2' C B 23 -32.341 37.969-182.710 1.00 0.00 C ATOM 439 O2' C B 23 -32.570 36.590-183.018 1.00 0.00 O ATOM 440 C1' C B 23 -33.597 38.800-182.955 1.00 0.00 C ATOM 441 N1 C B 23 -33.564 39.582-184.208 1.00 0.00 N ATOM 442 C2 C B 23 -34.561 39.339-185.140 1.00 0.00 C ATOM 443 O2 C B 23 -35.405 38.472-184.925 1.00 0.00 O ATOM 444 N3 C B 23 -34.548 40.051-186.301 1.00 0.00 N ATOM 445 C4 C B 23 -33.597 40.965-186.538 1.00 0.00 C ATOM 446 N4 C B 23 -33.611 41.646-187.684 1.00 0.00 N ATOM 447 C5 C B 23 -32.567 41.219-185.579 1.00 0.00 C ATOM 448 C6 C B 23 -32.587 40.510-184.433 1.00 0.00 C ATOM 0 H5' C B 23 -32.682 41.440-180.238 1.00 0.00 H new ATOM 0 H5'' C B 23 -31.510 40.386-179.471 1.00 0.00 H new ATOM 0 H4' C B 23 -33.414 39.086-179.902 1.00 0.00 H new ATOM 0 H3' C B 23 -30.976 38.297-181.052 1.00 0.00 H new ATOM 0 H2' C B 23 -31.509 38.283-183.341 1.00 0.00 H new ATOM 0 HO2' C B 23 -32.798 36.105-182.198 1.00 0.00 H new ATOM 0 HO3' C B 23 -33.392 37.018-180.314 1.00 0.00 H new ATOM 0 H1' C B 23 -34.427 38.098-183.032 1.00 0.00 H new ATOM 0 H41 C B 23 -32.891 42.343-187.872 1.00 0.00 H new ATOM 0 H42 C B 23 -34.342 41.470-188.373 1.00 0.00 H new ATOM 0 H5 C B 23 -31.799 41.954-185.767 1.00 0.00 H new ATOM 0 H6 C B 23 -31.825 40.677-183.687 1.00 0.00 H new TER 461 C B 23