USER MOD reduce.3.24.130724 H: found=0, std=0, add=96, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 96 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot -29:sc= 0.148 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.171 (180deg=-0.171) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.52 (180deg=-0.52) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.0447) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.899 (180deg=-0.899) USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD 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ATOM 0 H4' DT A 7 -1.159 4.568 11.699 1.00 0.00 H new ATOM 0 H3' DT A 7 -0.729 6.956 13.188 1.00 0.00 H new ATOM 0 H2' DT A 7 0.186 6.103 15.200 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.925 4.748 15.179 1.00 0.00 H new ATOM 0 H1' DT A 7 0.966 3.492 14.684 1.00 0.00 H new ATOM 0 H3 DT A 7 4.367 5.712 16.659 1.00 0.00 H new ATOM 0 H71 DT A 7 4.890 5.510 11.295 1.00 0.00 H new ATOM 0 H72 DT A 7 4.967 7.192 11.870 1.00 0.00 H new ATOM 0 H73 DT A 7 6.216 6.025 12.365 1.00 0.00 H new ATOM 0 H6 DT A 7 2.715 5.108 12.155 1.00 0.00 H new ATOM 223 P DA A 8 -3.299 6.727 12.607 1.00 0.00 P ATOM 224 OP1 DA A 8 -3.350 6.229 11.223 1.00 0.00 O ATOM 225 OP2 DA A 8 -2.822 8.121 12.709 1.00 0.00 O ATOM 226 O5' DA A 8 -4.767 6.586 13.264 1.00 0.00 O ATOM 227 C5' DA A 8 -5.368 5.335 13.599 1.00 0.00 C ATOM 228 C4' DA A 8 -5.733 4.425 12.405 1.00 0.00 C ATOM 229 O4' DA A 8 -4.580 3.856 11.800 1.00 0.00 O ATOM 230 C3' DA A 8 -6.625 3.223 12.796 1.00 0.00 C ATOM 231 O3' DA A 8 -7.848 3.221 12.082 1.00 0.00 O ATOM 232 C2' DA A 8 -5.826 1.980 12.390 1.00 0.00 C ATOM 233 C1' DA A 8 -4.436 2.517 12.215 1.00 0.00 C ATOM 234 N9 DA A 8 -3.604 2.353 13.427 1.00 0.00 N ATOM 235 C8 DA A 8 -3.877 2.390 14.777 1.00 0.00 C ATOM 236 N7 DA A 8 -2.855 2.089 15.537 1.00 0.00 N ATOM 237 C5 DA A 8 -1.848 1.791 14.613 1.00 0.00 C ATOM 238 C6 DA A 8 -0.488 1.407 14.675 1.00 0.00 C ATOM 239 N6 DA A 8 0.223 1.315 15.787 1.00 0.00 N ATOM 240 N1 DA A 8 0.205 1.202 13.547 1.00 0.00 N ATOM 241 C2 DA A 8 -0.433 1.344 12.389 1.00 0.00 C ATOM 242 N3 DA A 8 -1.680 1.697 12.176 1.00 0.00 N ATOM 243 C4 DA A 8 -2.321 1.926 13.340 1.00 0.00 C ATOM 0 H5' DA A 8 -6.274 5.530 14.173 1.00 0.00 H new ATOM 0 H5'' DA A 8 -4.687 4.790 14.253 1.00 0.00 H new ATOM 0 H4' DA A 8 -6.266 5.091 11.726 1.00 0.00 H new ATOM 0 H3' DA A 8 -6.869 3.260 13.858 1.00 0.00 H new ATOM 0 H2' DA A 8 -5.866 1.206 13.156 1.00 0.00 H new ATOM 0 H2'' DA A 8 -6.207 1.538 11.470 1.00 0.00 H new ATOM 0 HO3' DA A 8 -8.384 2.447 12.354 1.00 0.00 H new ATOM 0 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