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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= -1.03 (180deg=-1.03) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.215 (180deg=-0.215) 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=-0.0221) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.272 (180deg=-0.272) USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD 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DT A 7 -1.250 4.021 12.139 1.00 0.00 H new ATOM 0 H3' DT A 7 -0.786 6.629 13.327 1.00 0.00 H new ATOM 0 H2' DT A 7 0.182 5.869 15.366 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.820 4.431 15.373 1.00 0.00 H new ATOM 0 H1' DT A 7 1.140 3.350 14.852 1.00 0.00 H new ATOM 0 H3 DT A 7 4.615 5.580 16.542 1.00 0.00 H new ATOM 0 H71 DT A 7 4.650 5.532 11.146 1.00 0.00 H new ATOM 0 H72 DT A 7 4.842 7.190 11.763 1.00 0.00 H new ATOM 0 H73 DT A 7 6.088 5.965 12.101 1.00 0.00 H new ATOM 0 H6 DT A 7 2.558 5.177 12.184 1.00 0.00 H new ATOM 223 P DA A 8 -3.390 6.412 12.982 1.00 0.00 P ATOM 224 OP1 DA A 8 -3.436 6.069 11.549 1.00 0.00 O ATOM 225 OP2 DA A 8 -3.003 7.812 13.244 1.00 0.00 O ATOM 226 O5' DA A 8 -4.839 6.114 13.621 1.00 0.00 O ATOM 227 C5' DA A 8 -5.361 4.802 13.816 1.00 0.00 C ATOM 228 C4' DA A 8 -5.603 3.969 12.536 1.00 0.00 C ATOM 229 O4' DA A 8 -4.394 3.483 11.963 1.00 0.00 O ATOM 230 C3' DA A 8 -6.470 2.717 12.797 1.00 0.00 C ATOM 231 O3' DA A 8 -7.612 2.728 11.962 1.00 0.00 O ATOM 232 C2' DA A 8 -5.586 1.521 12.428 1.00 0.00 C ATOM 233 C1' DA A 8 -4.217 2.127 12.316 1.00 0.00 C ATOM 234 N9 DA A 8 -3.399 1.935 13.536 1.00 0.00 N ATOM 235 C8 DA A 8 -3.678 1.949 14.887 1.00 0.00 C ATOM 236 N7 DA A 8 -2.644 1.692 15.648 1.00 0.00 N ATOM 237 C5 DA A 8 -1.620 1.445 14.725 1.00 0.00 C ATOM 238 C6 DA A 8 -0.234 1.153 14.776 1.00 0.00 C ATOM 239 N6 DA A 8 0.523 1.124 15.859 1.00 0.00 N ATOM 240 N1 DA A 8 0.459 1.011 13.643 1.00 0.00 N ATOM 241 C2 DA A 8 -0.188 1.096 12.491 1.00 0.00 C ATOM 242 N3 DA A 8 -1.455 1.360 12.285 1.00 0.00 N ATOM 243 C4 DA A 8 -2.105 1.548 13.453 1.00 0.00 C ATOM 0 H5' DA A 8 -6.305 4.885 14.355 1.00 0.00 H new ATOM 0 H5'' DA A 8 -4.674 4.252 14.459 1.00 0.00 H new ATOM 0 H4' DA A 8 -6.107 4.663 11.863 1.00 0.00 H new ATOM 0 H3' DA A 8 -6.812 2.678 13.831 1.00 0.00 H new ATOM 0 H2' DA A 8 -5.621 0.744 13.192 1.00 0.00 H new ATOM 0 H2'' DA A 8 -5.901 1.062 11.491 1.00 0.00 H new ATOM 0 HO3' DA A 8 -8.152 1.929 12.136 1.00 0.00 H new ATOM 0 H1' DA A 8 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