USER MOD reduce.3.24.130724 H: found=0, std=0, add=56, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 59 hydrogens (46 hets) HETATM 1 C ACB A 1 -0.503 0.293 3.014 1.00 0.00 C HETATM 2 O ACB A 1 -0.840 0.020 1.859 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.963 1.157 3.769 1.00 0.00 O HETATM 4 CA ACB A 1 0.685 -0.552 3.606 1.00 0.00 C HETATM 5 N ACB A 1 1.873 0.288 3.364 1.00 0.00 N HETATM 6 CB ACB A 1 0.747 -2.005 3.020 1.00 0.00 C HETATM 7 CG ACB A 1 1.450 -2.082 1.657 1.00 0.00 C HETATM 8 C4 ACB A 1 1.381 -3.069 3.936 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.677 -2.005 1.571 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.312 -2.242 2.917 1.00 0.00 H new HETATM 0 HA ACB A 1 0.580 -0.761 4.671 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.409 -2.788 4.163 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.811 -3.138 4.862 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.372 -4.035 3.432 1.00 0.00 H new ATOM 16 N ARG A 2 0.636 -2.284 0.558 1.00 0.00 N ATOM 17 CA ARG A 2 1.138 -2.399 -0.810 1.00 0.00 C ATOM 18 C ARG A 2 0.238 -1.427 -1.613 1.00 0.00 C ATOM 19 O ARG A 2 -0.485 -1.830 -2.522 1.00 0.00 O ATOM 20 CB ARG A 2 1.102 -3.844 -1.335 1.00 0.00 C ATOM 21 CG ARG A 2 2.032 -4.819 -0.587 1.00 0.00 C ATOM 22 CD ARG A 2 1.996 -6.247 -1.154 1.00 0.00 C ATOM 23 NE ARG A 2 2.849 -7.222 -0.430 1.00 0.00 N ATOM 24 CZ ARG A 2 4.232 -7.372 -0.585 1.00 0.00 C ATOM 25 NH1 ARG A 2 4.966 -6.572 -1.507 1.00 0.00 N ATOM 26 NH2 ARG A 2 4.918 -8.342 0.193 1.00 0.00 N ATOM 0 HA ARG A 2 2.193 -2.139 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.079 -4.215 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.373 -3.841 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.054 -4.443 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.749 -4.846 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.966 -6.604 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.307 -6.217 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 2 2.387 -7.837 0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.484 -5.872 -2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.974 -6.699 -1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.403 -8.921 0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.926 -8.460 0.088 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.331 -0.092 -1.243 1.00 0.00 N HETATM 41 C2 MFD A 3 0.216 2.350 -1.801 1.00 0.00 C HETATM 42 C1 MFD A 3 1.707 2.257 -2.154 1.00 0.00 C HETATM 43 O1 MFD A 3 2.060 1.734 -3.213 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.444 0.959 -1.918 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.414 3.423 -2.712 1.00 0.00 C HETATM 46 C7 MFD A 3 -4.773 -0.752 -1.245 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.222 0.482 -1.162 1.00 0.00 C HETATM 48 C5 MFD A 3 -2.994 0.662 -1.988 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.851 1.001 -1.360 1.00 0.00 C HETATM 50 C' MFD A 3 -3.934 -2.064 1.249 1.00 0.00 C HETATM 51 C9 MFD A 3 -5.143 -2.567 0.416 1.00 0.00 C HETATM 52 C8 MFD A 3 -5.834 -1.393 -0.370 1.00 0.00 C HETATM 53 C4' MFD A 3 -1.627 -5.293 3.010 1.00 0.00 C HETATM 54 C3' MFD A 3 -1.595 -5.069 1.629 1.00 0.00 C HETATM 55 C2' MFD A 3 -2.345 -4.033 1.075 1.00 0.00 C HETATM 56 C1' MFD A 3 -3.143 -3.202 1.870 1.00 0.00 C HETATM 57 C6' MFD A 3 -3.161 -3.435 3.248 1.00 0.00 C HETATM 58 C5' MFD A 3 -2.416 -4.468 3.819 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.059 -3.406 1.135 1.00 0.00 O HETATM 60 CM9 MFD A 3 -6.772 -2.816 2.210 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.052 -1.785 -1.244 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.698 1.505 -0.142 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.202 0.143 -0.768 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -6.067 -2.449 2.956 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -7.371 -1.985 1.837 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -7.427 -3.560 2.664 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.461 -0.893 -1.719 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -6.737 -2.492 -2.011 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -7.816 -2.246 -0.618 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.754 1.719 -0.307 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.561 1.107 0.864 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -4.121 2.423 -0.251 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.077 4.381 -2.540 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.289 3.134 -3.755 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.476 3.514 -2.486 1.00 0.00 H new HETATM 0 H9 MFD A 3 -4.728 -3.243 -0.332 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.246 -0.718 0.380 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.400 -1.375 -2.058 1.00 0.00 H new HETATM 0 H6' MFD A 3 -3.769 -2.797 3.890 1.00 0.00 H new HETATM 0 H5' MFD A 3 -2.449 -4.632 4.896 1.00 0.00 H new HETATM 0 H5 MFD A 3 -3.020 0.523 -3.069 1.00 0.00 H new HETATM 0 H4' MFD A 3 -1.044 -6.101 3.451 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.951 1.345 -0.331 1.00 0.00 H new HETATM 0 H3' MFD A 3 -0.984 -5.704 0.987 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.474 0.708 -2.978 1.00 0.00 H new HETATM 0 H2' MFD A 3 -2.309 -3.866 -0.002 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.060 2.656 -0.767 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -3.276 -1.475 0.610 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -4.290 -1.401 2.037 1.00 0.00 H new HETATM 90 N FGA A 4 2.600 2.760 -1.220 1.00 0.00 N HETATM 91 CA FGA A 4 4.052 2.535 -1.311 1.00 0.00 C HETATM 92 C FGA A 4 4.621 3.994 -1.332 1.00 0.00 C HETATM 93 O FGA A 4 4.580 4.540 -2.443 1.00 0.00 O HETATM 94 CB FGA A 4 4.585 1.541 -0.258 1.00 0.00 C HETATM 95 CG FGA A 4 4.379 1.816 1.245 1.00 0.00 C HETATM 96 CD FGA A 4 5.054 0.748 2.156 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.806 -0.082 1.657 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.782 2.799 1.488 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.311 1.847 1.460 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.136 0.571 -0.473 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.658 1.440 -0.424 1.00 0.00 H new HETATM 0 HA FGA A 4 4.389 2.000 -2.199 1.00 0.00 H new HETATM 104 N MDH A 5 4.784 0.777 3.549 1.00 0.00 N HETATM 105 CM MDH A 5 5.296 -0.365 4.318 1.00 0.00 C HETATM 106 CA MDH A 5 3.782 1.627 4.110 1.00 0.00 C HETATM 107 C MDH A 5 2.425 1.040 4.420 1.00 0.00 C HETATM 108 O MDH A 5 1.894 1.226 5.510 1.00 0.00 O HETATM 109 CB MDH A 5 4.035 2.941 4.371 1.00 0.00 C HETATM 110 CG MDH A 5 5.317 3.712 4.175 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.744 -0.008 5.245 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.476 -1.044 4.550 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.048 -0.891 3.730 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.108 3.261 4.774 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.599 3.687 3.123 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.171 4.746 4.487 1.00 0.00 H new HETATM 0 HB MDH A 5 3.199 3.511 4.776 1.00 0.00 H new TER 118 MDH A 5