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 8:sc= -1.34 USER MOD Single : A 2 G O2' : rot 180:sc= -1.86! USER MOD Single : A 3 G O2' : rot 180:sc= -1.97! USER MOD Single : A 4 U O2' : rot 7:sc= -1.69! USER MOD Single : A 5 G O2' : rot 4:sc= -3! USER MOD Single : A 6 U O2' : rot 53:sc= -3.07! USER MOD Single : A 7 A O2' : rot 26:sc= 0.265 USER MOD Single : A 7 A O3' : rot 38:sc= 0.258 USER MOD Single : B 17 A O2' : rot 5:sc= -3.16! USER MOD Single : B 18 G O2' : rot 1:sc= -1.38! USER MOD Single : B 19 C O2' : rot 3:sc= -0.958 USER MOD Single : B 20 A O2' : rot -2:sc= -1.27 USER MOD Single : B 21 C O2' : rot 180:sc= -1.44! USER MOD Single : B 22 C O2' : rot -125:sc= -0.815 USER MOD Single : B 23 C O2' : rot 34:sc= 0.208 USER MOD Single : B 23 C O3' : rot 37:sc= 0.182 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -36.392 33.539-197.813 1.00 0.00 O ATOM 2 P G A 1 -37.333 34.845-197.821 1.00 0.00 P ATOM 3 OP1 G A 1 -36.475 36.033-198.035 1.00 0.00 O ATOM 4 OP2 G A 1 -38.475 34.587-198.726 1.00 0.00 O ATOM 5 O5' G A 1 -37.887 34.889-196.311 1.00 0.00 O ATOM 6 C5' G A 1 -38.551 36.054-195.815 1.00 0.00 C ATOM 7 C4' G A 1 -39.004 35.870-194.370 1.00 0.00 C ATOM 8 O4' G A 1 -37.863 35.674-193.534 1.00 0.00 O ATOM 9 C3' G A 1 -39.781 37.077-193.743 1.00 0.00 C ATOM 10 O3' G A 1 -41.191 36.944-193.939 1.00 0.00 O ATOM 11 C2' G A 1 -39.456 36.938-192.264 1.00 0.00 C ATOM 12 O2' G A 1 -40.436 36.140-191.590 1.00 0.00 O ATOM 13 C1' G A 1 -38.088 36.263-192.247 1.00 0.00 C ATOM 14 N9 G A 1 -36.971 37.188-191.982 1.00 0.00 N ATOM 15 C8 G A 1 -36.127 37.793-192.877 1.00 0.00 C ATOM 16 N7 G A 1 -35.235 38.565-192.324 1.00 0.00 N ATOM 17 C5 G A 1 -35.503 38.465-190.963 1.00 0.00 C ATOM 18 C6 G A 1 -34.856 39.086-189.860 1.00 0.00 C ATOM 19 O6 G A 1 -33.901 39.860-189.873 1.00 0.00 O ATOM 20 N1 G A 1 -35.439 38.718-188.655 1.00 0.00 N ATOM 21 C2 G A 1 -36.511 37.860-188.524 1.00 0.00 C ATOM 22 N2 G A 1 -36.932 37.626-187.281 1.00 0.00 N ATOM 23 N3 G A 1 -37.121 37.276-189.560 1.00 0.00 N ATOM 24 C4 G A 1 -36.565 37.624-190.744 1.00 0.00 C ATOM 0 H5' G A 1 -39.414 36.276-196.442 1.00 0.00 H new ATOM 0 H5'' G A 1 -37.881 36.911-195.880 1.00 0.00 H new ATOM 0 H4' G A 1 -39.682 35.018-194.413 1.00 0.00 H new ATOM 0 H3' G A 1 -39.503 38.036-194.180 1.00 0.00 H new ATOM 0 H2' G A 1 -39.455 37.897-191.746 1.00 0.00 H new ATOM 0 HO2' G A 1 -41.043 35.742-192.249 1.00 0.00 H new ATOM 0 H1' G A 1 -38.108 35.532-191.438 1.00 0.00 H new ATOM 0 H8 G A 1 -36.195 37.643-193.944 1.00 0.00 H new ATOM 0 H1 G A 1 -35.044 39.112-187.801 1.00 0.00 H new ATOM 0 H21 G A 1 -37.721 37.000-187.119 1.00 0.00 H new ATOM 0 H22 G A 1 -36.465 38.073-186.492 1.00 0.00 H new ATOM 37 P G A 2 -42.121 38.249-194.100 1.00 0.00 P ATOM 38 OP1 G A 2 -43.489 37.802-194.443 1.00 0.00 O ATOM 39 OP2 G A 2 -41.418 39.213-194.975 1.00 0.00 O ATOM 40 O5' G A 2 -42.145 38.847-192.605 1.00 0.00 O ATOM 41 C5' G A 2 -42.761 38.113-191.544 1.00 0.00 C ATOM 42 C4' G A 2 -42.532 38.779-190.190 1.00 0.00 C ATOM 43 O4' G A 2 -41.140 38.759-189.872 1.00 0.00 O ATOM 44 C3' G A 2 -42.942 40.301-190.027 1.00 0.00 C ATOM 45 O3' G A 2 -44.324 40.486-189.709 1.00 0.00 O ATOM 46 C2' G A 2 -42.088 40.704-188.835 1.00 0.00 C ATOM 47 O2' G A 2 -42.761 40.437-187.599 1.00 0.00 O ATOM 48 C1' G A 2 -40.835 39.843-188.982 1.00 0.00 C ATOM 49 N9 G A 2 -39.681 40.572-189.541 1.00 0.00 N ATOM 50 C8 G A 2 -39.246 40.616-190.840 1.00 0.00 C ATOM 51 N7 G A 2 -38.200 41.371-191.022 1.00 0.00 N ATOM 52 C5 G A 2 -37.918 41.865-189.753 1.00 0.00 C ATOM 53 C6 G A 2 -36.885 42.745-189.330 1.00 0.00 C ATOM 54 O6 G A 2 -36.005 43.269-190.008 1.00 0.00 O ATOM 55 N1 G A 2 -36.954 42.992-187.966 1.00 0.00 N ATOM 56 C2 G A 2 -37.898 42.460-187.112 1.00 0.00 C ATOM 57 N2 G A 2 -37.801 42.814-185.831 1.00 0.00 N ATOM 58 N3 G A 2 -38.871 41.633-187.509 1.00 0.00 N ATOM 59 C4 G A 2 -38.819 41.381-188.838 1.00 0.00 C ATOM 0 H5' G A 2 -42.361 37.099-191.523 1.00 0.00 H new ATOM 0 H5'' G A 2 -43.831 38.030-191.732 1.00 0.00 H new ATOM 0 H4' G A 2 -43.184 38.192-189.543 1.00 0.00 H new ATOM 0 H3' G A 2 -42.794 40.874-190.942 1.00 0.00 H new ATOM 0 H2' G A 2 -41.866 41.771-188.817 1.00 0.00 H new ATOM 0 HO2' G A 2 -42.188 40.705-186.850 1.00 0.00 H new ATOM 0 H1' G A 2 -40.558 39.508-187.983 1.00 0.00 H new ATOM 0 H8 G A 2 -39.727 40.074-191.641 1.00 0.00 H new ATOM 0 H1 G A 2 -36.253 43.615-187.564 1.00 0.00 H new ATOM 0 H21 G A 2 -38.470 42.454-185.150 1.00 0.00 H new ATOM 0 H22 G A 2 -37.058 43.445-185.531 1.00 0.00 H new ATOM 71 P G A 3 -45.059 41.876-190.055 1.00 0.00 P ATOM 72 OP1 G A 3 -46.506 41.717-189.785 1.00 0.00 O ATOM 73 OP2 G A 3 -44.602 42.321-191.391 1.00 0.00 O ATOM 74 O5' G A 3 -44.448 42.879-188.954 1.00 0.00 O ATOM 75 C5' G A 3 -44.711 42.678-187.563 1.00 0.00 C ATOM 76 C4' G A 3 -43.937 43.666-186.694 1.00 0.00 C ATOM 77 O4' G A 3 -42.533 43.442-186.845 1.00 0.00 O ATOM 78 C3' G A 3 -44.067 45.212-186.970 1.00 0.00 C ATOM 79 O3' G A 3 -45.226 45.767-186.343 1.00 0.00 O ATOM 80 C2' G A 3 -42.815 45.757-186.304 1.00 0.00 C ATOM 81 O2' G A 3 -43.047 46.056-184.923 1.00 0.00 O ATOM 82 C1' G A 3 -41.809 44.622-186.464 1.00 0.00 C ATOM 83 N9 G A 3 -40.791 44.873-187.500 1.00 0.00 N ATOM 84 C8 G A 3 -40.786 44.474-188.810 1.00 0.00 C ATOM 85 N7 G A 3 -39.741 44.870-189.481 1.00 0.00 N ATOM 86 C5 G A 3 -38.997 45.585-188.548 1.00 0.00 C ATOM 87 C6 G A 3 -37.753 46.256-188.698 1.00 0.00 C ATOM 88 O6 G A 3 -37.055 46.352-189.705 1.00 0.00 O ATOM 89 N1 G A 3 -37.350 46.852-187.511 1.00 0.00 N ATOM 90 C2 G A 3 -38.053 46.810-186.325 1.00 0.00 C ATOM 91 N2 G A 3 -37.503 47.443-185.289 1.00 0.00 N ATOM 92 N3 G A 3 -39.223 46.180-186.182 1.00 0.00 N ATOM 93 C4 G A 3 -39.632 45.592-187.331 1.00 0.00 C ATOM 0 H5' G A 3 -44.441 41.659-187.285 1.00 0.00 H new ATOM 0 H5'' G A 3 -45.779 42.787-187.375 1.00 0.00 H new ATOM 0 H4' G A 3 -44.386 43.463-185.722 1.00 0.00 H new ATOM 0 H3' G A 3 -44.164 45.448-188.030 1.00 0.00 H new ATOM 0 H2' G A 3 -42.473 46.693-186.745 1.00 0.00 H new ATOM 0 HO2' G A 3 -42.224 46.404-184.521 1.00 0.00 H new ATOM 0 H1' G A 3 -41.287 44.520-185.512 1.00 0.00 H new ATOM 0 H8 G A 3 -41.577 43.884-189.248 1.00 0.00 H new ATOM 0 H1 G A 3 -36.466 47.360-187.516 1.00 0.00 H new ATOM 0 H21 G A 3 -37.975 47.448-184.385 1.00 0.00 H new ATOM 0 H22 G A 3 -36.610 47.923-185.400 1.00 0.00 H new ATOM 105 P U A 4 -45.894 47.115-186.914 1.00 0.00 P ATOM 106 OP1 U A 4 -47.177 47.332-186.208 1.00 0.00 O ATOM 107 OP2 U A 4 -45.865 47.056-188.393 1.00 0.00 O ATOM 108 O5' U A 4 -44.857 48.250-186.435 1.00 0.00 O ATOM 109 C5' U A 4 -44.673 48.524-185.044 1.00 0.00 C ATOM 110 C4' U A 4 -43.610 49.595-184.818 1.00 0.00 C ATOM 111 O4' U A 4 -42.341 49.114-185.274 1.00 0.00 O ATOM 112 C3' U A 4 -43.741 50.973-185.561 1.00 0.00 C ATOM 113 O3' U A 4 -44.608 51.877-184.871 1.00 0.00 O ATOM 114 C2' U A 4 -42.315 51.493-185.507 1.00 0.00 C ATOM 115 O2' U A 4 -42.072 52.225-184.300 1.00 0.00 O ATOM 116 C1' U A 4 -41.478 50.222-185.565 1.00 0.00 C ATOM 117 N1 U A 4 -40.865 49.976-186.883 1.00 0.00 N ATOM 118 C2 U A 4 -39.670 50.613-187.159 1.00 0.00 C ATOM 119 O2 U A 4 -39.117 51.349-186.344 1.00 0.00 O ATOM 120 N3 U A 4 -39.129 50.373-188.409 1.00 0.00 N ATOM 121 C4 U A 4 -39.672 49.563-189.392 1.00 0.00 C ATOM 122 O4 U A 4 -39.104 49.422-190.473 1.00 0.00 O ATOM 123 C5 U A 4 -40.919 48.937-189.015 1.00 0.00 C ATOM 124 C6 U A 4 -41.468 49.157-187.797 1.00 0.00 C ATOM 0 H5' U A 4 -44.384 47.609-184.528 1.00 0.00 H new ATOM 0 H5'' U A 4 -45.618 48.851-184.609 1.00 0.00 H new ATOM 0 H4' U A 4 -43.731 49.778-183.750 1.00 0.00 H new ATOM 0 H3' U A 4 -44.161 50.875-186.562 1.00 0.00 H new ATOM 0 H2' U A 4 -42.085 52.190-186.312 1.00 0.00 H new ATOM 0 HO2' U A 4 -42.848 52.145-183.707 1.00 0.00 H new ATOM 0 H1' U A 4 -40.668 50.338-184.845 1.00 0.00 H new ATOM 0 H3 U A 4 -38.247 50.836-188.627 1.00 0.00 H new ATOM 0 H5 U A 4 -41.420 48.284-189.715 1.00 0.00 H new ATOM 0 H6 U A 4 -42.401 48.676-187.542 1.00 0.00 H new ATOM 135 P G A 5 -45.386 53.033-185.678 1.00 0.00 P ATOM 136 OP1 G A 5 -46.315 53.707-184.744 1.00 0.00 O ATOM 137 OP2 G A 5 -45.898 52.452-186.939 1.00 0.00 O ATOM 138 O5' G A 5 -44.202 54.063-186.042 1.00 0.00 O ATOM 139 C5' G A 5 -43.505 54.761-185.007 1.00 0.00 C ATOM 140 C4' G A 5 -42.345 55.580-185.564 1.00 0.00 C ATOM 141 O4' G A 5 -41.378 54.705-186.150 1.00 0.00 O ATOM 142 C3' G A 5 -42.618 56.623-186.726 1.00 0.00 C ATOM 143 O3' G A 5 -43.056 57.886-186.216 1.00 0.00 O ATOM 144 C2' G A 5 -41.239 56.776-187.349 1.00 0.00 C ATOM 145 O2' G A 5 -40.504 57.840-186.733 1.00 0.00 O ATOM 146 C1' G A 5 -40.576 55.425-187.094 1.00 0.00 C ATOM 147 N9 G A 5 -40.450 54.586-188.300 1.00 0.00 N ATOM 148 C8 G A 5 -41.273 53.580-188.734 1.00 0.00 C ATOM 149 N7 G A 5 -40.888 53.026-189.849 1.00 0.00 N ATOM 150 C5 G A 5 -39.724 53.712-190.180 1.00 0.00 C ATOM 151 C6 G A 5 -38.856 53.550-191.294 1.00 0.00 C ATOM 152 O6 G A 5 -38.950 52.751-192.224 1.00 0.00 O ATOM 153 N1 G A 5 -37.796 54.445-191.248 1.00 0.00 N ATOM 154 C2 G A 5 -37.593 55.381-190.256 1.00 0.00 C ATOM 155 N2 G A 5 -36.515 56.155-190.385 1.00 0.00 N ATOM 156 N3 G A 5 -38.408 55.536-189.209 1.00 0.00 N ATOM 157 C4 G A 5 -39.448 54.670-189.237 1.00 0.00 C ATOM 0 H5' G A 5 -43.128 54.046-184.276 1.00 0.00 H new ATOM 0 H5'' G A 5 -44.197 55.420-184.482 1.00 0.00 H new ATOM 0 H4' G A 5 -42.052 56.140-184.676 1.00 0.00 H new ATOM 0 H3' G A 5 -43.398 56.294-187.413 1.00 0.00 H new ATOM 0 H2' G A 5 -41.282 57.031-188.408 1.00 0.00 H new ATOM 0 HO2' G A 5 -41.021 58.205-185.985 1.00 0.00 H new ATOM 0 H1' G A 5 -39.569 55.632-186.733 1.00 0.00 H new ATOM 0 H8 G A 5 -42.161 53.274-188.200 1.00 0.00 H new ATOM 0 H1 G A 5 -37.115 54.407-192.006 1.00 0.00 H new ATOM 0 H21 G A 5 -36.311 56.866-189.683 1.00 0.00 H new ATOM 0 H22 G A 5 -35.894 56.036-191.186 1.00 0.00 H new ATOM 169 P U A 6 -43.990 58.846-187.107 1.00 0.00 P ATOM 170 OP1 U A 6 -44.392 60.003-186.276 1.00 0.00 O ATOM 171 OP2 U A 6 -45.024 58.012-187.759 1.00 0.00 O ATOM 172 O5' U A 6 -42.974 59.368-188.241 1.00 0.00 O ATOM 173 C5' U A 6 -41.840 60.164-187.890 1.00 0.00 C ATOM 174 C4' U A 6 -41.088 60.644-189.127 1.00 0.00 C ATOM 175 O4' U A 6 -40.481 59.525-189.778 1.00 0.00 O ATOM 176 C3' U A 6 -41.993 61.359-190.167 1.00 0.00 C ATOM 177 O3' U A 6 -41.310 62.519-190.650 1.00 0.00 O ATOM 178 C2' U A 6 -42.140 60.349-191.295 1.00 0.00 C ATOM 179 O2' U A 6 -42.154 60.995-192.572 1.00 0.00 O ATOM 180 C1' U A 6 -40.918 59.451-191.141 1.00 0.00 C ATOM 181 N1 U A 6 -41.177 58.030-191.446 1.00 0.00 N ATOM 182 C2 U A 6 -40.409 57.440-192.432 1.00 0.00 C ATOM 183 O2 U A 6 -39.538 58.057-193.041 1.00 0.00 O ATOM 184 N3 U A 6 -40.676 56.108-192.694 1.00 0.00 N ATOM 185 C4 U A 6 -41.631 55.327-192.064 1.00 0.00 C ATOM 186 O4 U A 6 -41.782 54.148-192.378 1.00 0.00 O ATOM 187 C5 U A 6 -42.386 56.026-191.049 1.00 0.00 C ATOM 188 C6 U A 6 -42.142 57.331-190.775 1.00 0.00 C ATOM 0 H5' U A 6 -41.169 59.583-187.258 1.00 0.00 H new ATOM 0 H5'' U A 6 -42.165 61.024-187.304 1.00 0.00 H new ATOM 0 H4' U A 6 -40.351 61.365-188.772 1.00 0.00 H new ATOM 0 H3' U A 6 -42.954 61.671-189.759 1.00 0.00 H new ATOM 0 H2' U A 6 -43.077 59.794-191.243 1.00 0.00 H new ATOM 0 HO2' U A 6 -41.371 61.578-192.652 1.00 0.00 H new ATOM 0 H1' U A 6 -40.174 59.807-191.853 1.00 0.00 H new ATOM 0 H3 U A 6 -40.117 55.659-193.419 1.00 0.00 H new ATOM 0 H5 U A 6 -43.155 55.502-190.501 1.00 0.00 H new ATOM 0 H6 U A 6 -42.721 57.829-190.011 1.00 0.00 H new ATOM 199 P A A 7 -42.054 63.556-191.629 1.00 0.00 P ATOM 200 OP1 A A 7 -41.476 64.901-191.409 1.00 0.00 O ATOM 201 OP2 A A 7 -43.514 63.350-191.498 1.00 0.00 O ATOM 202 O5' A A 7 -41.603 63.047-193.088 1.00 0.00 O ATOM 203 C5' A A 7 -42.403 63.338-194.236 1.00 0.00 C ATOM 204 C4' A A 7 -41.791 62.761-195.509 1.00 0.00 C ATOM 205 O4' A A 7 -41.575 61.359-195.340 1.00 0.00 O ATOM 206 C3' A A 7 -42.667 62.961-196.763 1.00 0.00 C ATOM 207 O3' A A 7 -41.910 63.567-197.817 1.00 0.00 O ATOM 208 C2' A A 7 -43.128 61.564-197.148 1.00 0.00 C ATOM 209 O2' A A 7 -43.093 61.380-198.567 1.00 0.00 O ATOM 210 C1' A A 7 -42.134 60.644-196.447 1.00 0.00 C ATOM 211 N9 A A 7 -42.737 59.407-195.918 1.00 0.00 N ATOM 212 C8 A A 7 -43.850 59.264-195.130 1.00 0.00 C ATOM 213 N7 A A 7 -44.128 58.026-194.829 1.00 0.00 N ATOM 214 C5 A A 7 -43.129 57.296-195.466 1.00 0.00 C ATOM 215 C6 A A 7 -42.858 55.920-195.538 1.00 0.00 C ATOM 216 N6 A A 7 -43.608 54.996-194.937 1.00 0.00 N ATOM 217 N1 A A 7 -41.786 55.539-196.254 1.00 0.00 N ATOM 218 C2 A A 7 -41.044 56.465-196.851 1.00 0.00 C ATOM 219 N3 A A 7 -41.194 57.780-196.857 1.00 0.00 N ATOM 220 C4 A A 7 -42.277 58.131-196.131 1.00 0.00 C ATOM 0 H5' A A 7 -42.511 64.418-194.341 1.00 0.00 H new ATOM 0 H5'' A A 7 -43.404 62.930-194.096 1.00 0.00 H new ATOM 0 H4' A A 7 -40.858 63.301-195.668 1.00 0.00 H new ATOM 0 H3' A A 7 -43.510 63.626-196.576 1.00 0.00 H new ATOM 0 H2' A A 7 -44.159 61.367-196.855 1.00 0.00 H new ATOM 0 HO2' A A 7 -42.430 61.986-198.959 1.00 0.00 H new ATOM 0 HO3' A A 7 -40.999 63.207-197.814 1.00 0.00 H new ATOM 0 H1' A A 7 -41.393 60.352-197.191 1.00 0.00 H new ATOM 0 H8 A A 7 -44.442 60.100-194.790 1.00 0.00 H new ATOM 0 H61 A A 7 -43.366 54.009-195.022 1.00 0.00 H new ATOM 0 H62 A A 7 -44.424 55.276-194.392 1.00 0.00 H new ATOM 0 H2 A A 7 -40.199 56.092-197.411 1.00 0.00 H new TER 233 A A 7 ATOM 234 OP3 A B 17 -40.841 48.689-201.612 1.00 0.00 O ATOM 235 P A B 17 -41.106 49.287-203.083 1.00 0.00 P ATOM 236 OP1 A B 17 -40.632 48.299-204.077 1.00 0.00 O ATOM 237 OP2 A B 17 -42.500 49.780-203.139 1.00 0.00 O ATOM 238 O5' A B 17 -40.120 50.560-203.127 1.00 0.00 O ATOM 239 C5' A B 17 -39.404 50.885-204.323 1.00 0.00 C ATOM 240 C4' A B 17 -38.642 52.199-204.179 1.00 0.00 C ATOM 241 O4' A B 17 -39.572 53.272-204.009 1.00 0.00 O ATOM 242 C3' A B 17 -37.698 52.349-202.970 1.00 0.00 C ATOM 243 O3' A B 17 -36.398 51.843-203.287 1.00 0.00 O ATOM 244 C2' A B 17 -37.620 53.854-202.767 1.00 0.00 C ATOM 245 O2' A B 17 -36.514 54.419-203.480 1.00 0.00 O ATOM 246 C1' A B 17 -38.947 54.356-203.316 1.00 0.00 C ATOM 247 N9 A B 17 -39.886 54.820-202.278 1.00 0.00 N ATOM 248 C8 A B 17 -40.929 54.145-201.698 1.00 0.00 C ATOM 249 N7 A B 17 -41.575 54.840-200.804 1.00 0.00 N ATOM 250 C5 A B 17 -40.912 56.063-200.791 1.00 0.00 C ATOM 251 C6 A B 17 -41.109 57.243-200.054 1.00 0.00 C ATOM 252 N6 A B 17 -42.077 57.384-199.148 1.00 0.00 N ATOM 253 N1 A B 17 -40.270 58.265-200.290 1.00 0.00 N ATOM 254 C2 A B 17 -39.309 58.117-201.194 1.00 0.00 C ATOM 255 N3 A B 17 -39.023 57.066-201.946 1.00 0.00 N ATOM 256 C4 A B 17 -39.882 56.058-201.686 1.00 0.00 C ATOM 0 H5' A B 17 -40.101 50.957-205.158 1.00 0.00 H new ATOM 0 H5'' A B 17 -38.706 50.082-204.560 1.00 0.00 H new ATOM 0 H4' A B 17 -38.039 52.214-205.087 1.00 0.00 H new ATOM 0 H3' A B 17 -38.048 51.807-202.092 1.00 0.00 H new ATOM 0 H2' A B 17 -37.461 54.132-201.725 1.00 0.00 H new ATOM 0 HO2' A B 17 -36.080 53.723-204.016 1.00 0.00 H new ATOM 0 H1' A B 17 -38.725 55.209-203.957 1.00 0.00 H new ATOM 0 H8 A B 17 -41.191 53.130-201.958 1.00 0.00 H new ATOM 0 H61 A B 17 -42.176 58.263-198.640 1.00 0.00 H new ATOM 0 H62 A B 17 -42.718 56.613-198.963 1.00 0.00 H new ATOM 0 H2 A B 17 -38.670 58.976-201.336 1.00 0.00 H new ATOM 269 P G B 18 -35.453 51.244-202.131 1.00 0.00 P ATOM 270 OP1 G B 18 -34.247 50.671-202.769 1.00 0.00 O ATOM 271 OP2 G B 18 -36.286 50.405-201.240 1.00 0.00 O ATOM 272 O5' G B 18 -35.015 52.562-201.318 1.00 0.00 O ATOM 273 C5' G B 18 -34.231 53.577-201.950 1.00 0.00 C ATOM 274 C4' G B 18 -33.914 54.720-200.992 1.00 0.00 C ATOM 275 O4' G B 18 -35.129 55.357-200.590 1.00 0.00 O ATOM 276 C3' G B 18 -33.229 54.340-199.626 1.00 0.00 C ATOM 277 O3' G B 18 -31.806 54.270-199.743 1.00 0.00 O ATOM 278 C2' G B 18 -33.612 55.518-198.745 1.00 0.00 C ATOM 279 O2' G B 18 -32.647 56.572-198.835 1.00 0.00 O ATOM 280 C1' G B 18 -34.964 55.954-199.297 1.00 0.00 C ATOM 281 N9 G B 18 -36.108 55.537-198.467 1.00 0.00 N ATOM 282 C8 G B 18 -36.940 54.460-198.632 1.00 0.00 C ATOM 283 N7 G B 18 -37.864 54.360-197.718 1.00 0.00 N ATOM 284 C5 G B 18 -37.630 55.450-196.885 1.00 0.00 C ATOM 285 C6 G B 18 -38.319 55.864-195.714 1.00 0.00 C ATOM 286 O6 G B 18 -39.290 55.339-195.174 1.00 0.00 O ATOM 287 N1 G B 18 -37.761 57.016-195.175 1.00 0.00 N ATOM 288 C2 G B 18 -36.674 57.687-195.696 1.00 0.00 C ATOM 289 N2 G B 18 -36.281 58.777-195.037 1.00 0.00 N ATOM 290 N3 G B 18 -36.025 57.298-196.798 1.00 0.00 N ATOM 291 C4 G B 18 -36.556 56.176-197.337 1.00 0.00 C ATOM 0 H5' G B 18 -34.767 53.965-202.816 1.00 0.00 H new ATOM 0 H5'' G B 18 -33.302 53.143-202.319 1.00 0.00 H new ATOM 0 H4' G B 18 -33.220 55.328-201.572 1.00 0.00 H new ATOM 0 H3' G B 18 -33.540 53.364-199.253 1.00 0.00 H new ATOM 0 H2' G B 18 -33.653 55.258-197.687 1.00 0.00 H new ATOM 0 HO2' G B 18 -31.939 56.315-199.462 1.00 0.00 H new ATOM 0 H1' G B 18 -34.959 57.044-199.323 1.00 0.00 H new ATOM 0 H8 G B 18 -36.839 53.758-199.446 1.00 0.00 H new ATOM 0 H1 G B 18 -38.187 57.395-194.329 1.00 0.00 H new ATOM 0 H21 G B 18 -35.483 59.316-195.373 1.00 0.00 H new ATOM 0 H22 G B 18 -36.778 59.072-194.197 1.00 0.00 H new ATOM 303 P C B 19 -30.961 53.267-198.810 1.00 0.00 P ATOM 304 OP1 C B 19 -29.544 53.322-199.234 1.00 0.00 O ATOM 305 OP2 C B 19 -31.669 51.968-198.767 1.00 0.00 O ATOM 306 O5' C B 19 -31.081 53.957-197.360 1.00 0.00 O ATOM 307 C5' C B 19 -30.489 55.236-197.119 1.00 0.00 C ATOM 308 C4' C B 19 -30.834 55.765-195.730 1.00 0.00 C ATOM 309 O4' C B 19 -32.242 55.990-195.632 1.00 0.00 O ATOM 310 C3' C B 19 -30.506 54.831-194.504 1.00 0.00 C ATOM 311 O3' C B 19 -29.156 54.958-194.051 1.00 0.00 O ATOM 312 C2' C B 19 -31.453 55.383-193.452 1.00 0.00 C ATOM 313 O2' C B 19 -30.863 56.478-192.742 1.00 0.00 O ATOM 314 C1' C B 19 -32.661 55.835-194.268 1.00 0.00 C ATOM 315 N1 C B 19 -33.780 54.874-194.251 1.00 0.00 N ATOM 316 C2 C B 19 -34.658 54.937-193.182 1.00 0.00 C ATOM 317 O2 C B 19 -34.496 55.778-192.301 1.00 0.00 O ATOM 318 N3 C B 19 -35.689 54.050-193.141 1.00 0.00 N ATOM 319 C4 C B 19 -35.852 53.139-194.110 1.00 0.00 C ATOM 320 N4 C B 19 -36.870 52.283-194.038 1.00 0.00 N ATOM 321 C5 C B 19 -34.947 53.072-195.217 1.00 0.00 C ATOM 322 C6 C B 19 -33.931 53.955-195.248 1.00 0.00 C ATOM 0 H5' C B 19 -30.832 55.944-197.874 1.00 0.00 H new ATOM 0 H5'' C B 19 -29.406 55.161-197.221 1.00 0.00 H new ATOM 0 H4' C B 19 -30.208 56.654-195.658 1.00 0.00 H new ATOM 0 H3' C B 19 -30.620 53.773-194.738 1.00 0.00 H new ATOM 0 H2' C B 19 -31.709 54.652-192.685 1.00 0.00 H new ATOM 0 HO2' C B 19 -29.981 56.677-193.121 1.00 0.00 H new ATOM 0 H1' C B 19 -33.020 56.762-193.822 1.00 0.00 H new ATOM 0 H41 C B 19 -37.003 51.586-194.771 1.00 0.00 H new ATOM 0 H42 C B 19 -37.517 52.325-193.250 1.00 0.00 H new ATOM 0 H5 C B 19 -35.075 52.339-196.000 1.00 0.00 H new ATOM 0 H6 C B 19 -33.230 53.936-196.069 1.00 0.00 H new ATOM 334 P A B 20 -28.431 53.729-193.306 1.00 0.00 P ATOM 335 OP1 A B 20 -27.007 54.081-193.109 1.00 0.00 O ATOM 336 OP2 A B 20 -28.792 52.480-194.014 1.00 0.00 O ATOM 337 O5' A B 20 -29.152 53.719-191.867 1.00 0.00 O ATOM 338 C5' A B 20 -28.967 54.806-190.958 1.00 0.00 C ATOM 339 C4' A B 20 -29.842 54.655-189.717 1.00 0.00 C ATOM 340 O4' A B 20 -31.222 54.713-190.094 1.00 0.00 O ATOM 341 C3' A B 20 -29.763 53.320-188.910 1.00 0.00 C ATOM 342 O3' A B 20 -28.670 53.308-187.988 1.00 0.00 O ATOM 343 C2' A B 20 -31.076 53.339-188.147 1.00 0.00 C ATOM 344 O2' A B 20 -30.952 54.052-186.911 1.00 0.00 O ATOM 345 C1' A B 20 -32.022 54.048-189.106 1.00 0.00 C ATOM 346 N9 A B 20 -32.940 53.139-189.815 1.00 0.00 N ATOM 347 C8 A B 20 -32.804 52.575-191.056 1.00 0.00 C ATOM 348 N7 A B 20 -33.792 51.792-191.392 1.00 0.00 N ATOM 349 C5 A B 20 -34.643 51.842-190.293 1.00 0.00 C ATOM 350 C6 A B 20 -35.876 51.226-190.018 1.00 0.00 C ATOM 351 N6 A B 20 -36.486 50.403-190.870 1.00 0.00 N ATOM 352 N1 A B 20 -36.448 51.495-188.832 1.00 0.00 N ATOM 353 C2 A B 20 -35.833 52.315-187.988 1.00 0.00 C ATOM 354 N3 A B 20 -34.680 52.950-188.130 1.00 0.00 N ATOM 355 C4 A B 20 -34.132 52.661-189.328 1.00 0.00 C ATOM 0 H5' A B 20 -29.204 55.745-191.459 1.00 0.00 H new ATOM 0 H5'' A B 20 -27.920 54.859-190.661 1.00 0.00 H new ATOM 0 H4' A B 20 -29.460 55.459-189.088 1.00 0.00 H new ATOM 0 H3' A B 20 -29.610 52.450-189.549 1.00 0.00 H new ATOM 0 H2' A B 20 -31.421 52.344-187.865 1.00 0.00 H new ATOM 0 HO2' A B 20 -30.028 54.361-186.803 1.00 0.00 H new ATOM 0 H1' A B 20 -32.633 54.728-188.513 1.00 0.00 H new ATOM 0 H8 A B 20 -31.956 52.762-191.698 1.00 0.00 H new ATOM 0 H61 A B 20 -37.381 49.982-190.620 1.00 0.00 H new ATOM 0 H62 A B 20 -36.058 50.194-191.772 1.00 0.00 H new ATOM 0 H2 A B 20 -36.346 52.489-187.054 1.00 0.00 H new ATOM 367 P C B 21 -27.979 51.917-187.566 1.00 0.00 P ATOM 368 OP1 C B 21 -26.804 52.221-186.719 1.00 0.00 O ATOM 369 OP2 C B 21 -27.818 51.092-188.784 1.00 0.00 O ATOM 370 O5' C B 21 -29.105 51.233-186.639 1.00 0.00 O ATOM 371 C5' C B 21 -29.465 51.818-185.385 1.00 0.00 C ATOM 372 C4' C B 21 -30.583 51.037-184.698 1.00 0.00 C ATOM 373 O4' C B 21 -31.775 51.107-185.482 1.00 0.00 O ATOM 374 C3' C B 21 -30.388 49.499-184.492 1.00 0.00 C ATOM 375 O3' C B 21 -29.646 49.213-183.303 1.00 0.00 O ATOM 376 C2' C B 21 -31.815 49.003-184.335 1.00 0.00 C ATOM 377 O2' C B 21 -32.220 49.007-182.962 1.00 0.00 O ATOM 378 C1' C B 21 -32.629 49.999-185.157 1.00 0.00 C ATOM 379 N1 C B 21 -33.144 49.442-186.421 1.00 0.00 N ATOM 380 C2 C B 21 -34.324 48.719-186.366 1.00 0.00 C ATOM 381 O2 C B 21 -34.912 48.580-185.296 1.00 0.00 O ATOM 382 N3 C B 21 -34.806 48.181-187.520 1.00 0.00 N ATOM 383 C4 C B 21 -34.156 48.346-188.680 1.00 0.00 C ATOM 384 N4 C B 21 -34.652 47.805-189.792 1.00 0.00 N ATOM 385 C5 C B 21 -32.937 49.093-188.740 1.00 0.00 C ATOM 386 C6 C B 21 -32.470 49.621-187.594 1.00 0.00 C ATOM 0 H5' C B 21 -29.784 52.848-185.542 1.00 0.00 H new ATOM 0 H5'' C B 21 -28.591 51.851-184.734 1.00 0.00 H new ATOM 0 H4' C B 21 -30.608 51.515-183.719 1.00 0.00 H new ATOM 0 H3' C B 21 -29.834 49.035-185.308 1.00 0.00 H new ATOM 0 H2' C B 21 -31.944 47.973-184.668 1.00 0.00 H new ATOM 0 HO2' C B 21 -33.143 48.684-182.892 1.00 0.00 H new ATOM 0 H1' C B 21 -33.490 50.285-184.554 1.00 0.00 H new ATOM 0 H41 C B 21 -34.164 47.926-190.679 1.00 0.00 H new ATOM 0 H42 C B 21 -35.520 47.270-189.756 1.00 0.00 H new ATOM 0 H5 C B 21 -32.410 49.228-189.673 1.00 0.00 H new ATOM 0 H6 C B 21 -31.553 50.192-187.602 1.00 0.00 H new ATOM 398 P C B 22 -28.766 47.869-183.198 1.00 0.00 P ATOM 399 OP1 C B 22 -27.965 47.934-181.955 1.00 0.00 O ATOM 400 OP2 C B 22 -28.093 47.653-184.499 1.00 0.00 O ATOM 401 O5' C B 22 -29.888 46.727-183.016 1.00 0.00 O ATOM 402 C5' C B 22 -30.687 46.679-181.831 1.00 0.00 C ATOM 403 C4' C B 22 -31.775 45.612-181.925 1.00 0.00 C ATOM 404 O4' C B 22 -32.690 45.946-182.970 1.00 0.00 O ATOM 405 C3' C B 22 -31.367 44.147-182.281 1.00 0.00 C ATOM 406 O3' C B 22 -30.980 43.419-181.112 1.00 0.00 O ATOM 407 C2' C B 22 -32.642 43.552-182.856 1.00 0.00 C ATOM 408 O2' C B 22 -33.399 42.870-181.849 1.00 0.00 O ATOM 409 C1' C B 22 -33.394 44.768-183.389 1.00 0.00 C ATOM 410 N1 C B 22 -33.488 44.805-184.859 1.00 0.00 N ATOM 411 C2 C B 22 -34.521 44.093-185.449 1.00 0.00 C ATOM 412 O2 C B 22 -35.316 43.469-184.751 1.00 0.00 O ATOM 413 N3 C B 22 -34.614 44.098-186.807 1.00 0.00 N ATOM 414 C4 C B 22 -33.730 44.772-187.555 1.00 0.00 C ATOM 415 N4 C B 22 -33.848 44.752-188.882 1.00 0.00 N ATOM 416 C5 C B 22 -32.664 45.510-186.949 1.00 0.00 C ATOM 417 C6 C B 22 -32.581 45.499-185.605 1.00 0.00 C ATOM 0 H5' C B 22 -31.146 47.653-181.662 1.00 0.00 H new ATOM 0 H5'' C B 22 -30.050 46.474-180.971 1.00 0.00 H new ATOM 0 H4' C B 22 -32.154 45.618-180.903 1.00 0.00 H new ATOM 0 H3' C B 22 -30.518 44.109-182.963 1.00 0.00 H new ATOM 0 H2' C B 22 -32.450 42.804-183.625 1.00 0.00 H new ATOM 0 HO2' C B 22 -33.564 41.947-182.133 1.00 0.00 H new ATOM 0 H1' C B 22 -34.409 44.714-182.996 1.00 0.00 H new ATOM 0 H41 C B 22 -33.181 45.262-189.461 1.00 0.00 H new ATOM 0 H42 C B 22 -34.606 44.227-189.319 1.00 0.00 H new ATOM 0 H5 C B 22 -31.951 46.057-187.549 1.00 0.00 H new ATOM 0 H6 C B 22 -31.789 46.045-185.113 1.00 0.00 H new ATOM 429 P C B 23 -30.020 42.132-181.232 1.00 0.00 P ATOM 430 OP1 C B 23 -29.360 41.924-179.924 1.00 0.00 O ATOM 431 OP2 C B 23 -29.202 42.277-182.457 1.00 0.00 O ATOM 432 O5' C B 23 -31.070 40.934-181.465 1.00 0.00 O ATOM 433 C5' C B 23 -32.021 40.597-180.451 1.00 0.00 C ATOM 434 C4' C B 23 -32.861 39.387-180.848 1.00 0.00 C ATOM 435 O4' C B 23 -33.739 39.749-181.915 1.00 0.00 O ATOM 436 C3' C B 23 -32.040 38.173-181.289 1.00 0.00 C ATOM 437 O3' C B 23 -32.422 37.013-180.541 1.00 0.00 O ATOM 438 C2' C B 23 -32.343 38.000-182.772 1.00 0.00 C ATOM 439 O2' C B 23 -32.570 36.623-183.092 1.00 0.00 O ATOM 440 C1' C B 23 -33.601 38.831-183.003 1.00 0.00 C ATOM 441 N1 C B 23 -33.576 39.621-184.251 1.00 0.00 N ATOM 442 C2 C B 23 -34.577 39.382-185.179 1.00 0.00 C ATOM 443 O2 C B 23 -35.418 38.511-184.966 1.00 0.00 O ATOM 444 N3 C B 23 -34.571 40.099-186.336 1.00 0.00 N ATOM 445 C4 C B 23 -33.620 41.012-186.574 1.00 0.00 C ATOM 446 N4 C B 23 -33.640 41.698-187.718 1.00 0.00 N ATOM 447 C5 C B 23 -32.585 41.262-185.618 1.00 0.00 C ATOM 448 C6 C B 23 -32.601 40.548-184.477 1.00 0.00 C ATOM 0 H5' C B 23 -32.675 41.450-180.267 1.00 0.00 H new ATOM 0 H5'' C B 23 -31.499 40.388-179.517 1.00 0.00 H new ATOM 0 H4' C B 23 -33.407 39.094-179.952 1.00 0.00 H new ATOM 0 H3' C B 23 -30.973 38.312-181.115 1.00 0.00 H new ATOM 0 H2' C B 23 -31.515 38.320-183.404 1.00 0.00 H new ATOM 0 HO2' C B 23 -33.008 36.179-182.336 1.00 0.00 H new ATOM 0 HO3' C B 23 -33.388 37.031-180.380 1.00 0.00 H new ATOM 0 H1' C B 23 -34.430 38.128-183.078 1.00 0.00 H new ATOM 0 H41 C B 23 -32.920 42.395-187.907 1.00 0.00 H new ATOM 0 H42 C B 23 -34.376 41.525-188.403 1.00 0.00 H new ATOM 0 H5 C B 23 -31.817 41.998-185.805 1.00 0.00 H new ATOM 0 H6 C B 23 -31.835 40.711-183.733 1.00 0.00 H new TER 461 C B 23