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 -0.485 0.278 3.033 1.00 0.00 C HETATM 2 O ACB A 1 -0.814 0.027 1.870 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.952 1.127 3.801 1.00 0.00 O HETATM 4 CA ACB A 1 0.702 -0.575 3.616 1.00 0.00 C HETATM 5 N ACB A 1 1.891 0.264 3.374 1.00 0.00 N HETATM 6 CB ACB A 1 0.755 -2.026 3.023 1.00 0.00 C HETATM 7 CG ACB A 1 1.449 -2.099 1.654 1.00 0.00 C HETATM 8 C4 ACB A 1 1.387 -3.098 3.930 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.676 -2.036 1.562 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.305 -2.258 2.925 1.00 0.00 H new HETATM 0 HA ACB A 1 0.602 -0.791 4.680 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.418 -2.823 4.154 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.820 -3.169 4.858 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.371 -4.061 3.420 1.00 0.00 H new ATOM 16 N ARG A 2 0.626 -2.281 0.559 1.00 0.00 N ATOM 17 CA ARG A 2 1.119 -2.402 -0.813 1.00 0.00 C ATOM 18 C ARG A 2 0.231 -1.415 -1.614 1.00 0.00 C ATOM 19 O ARG A 2 -0.492 -1.810 -2.528 1.00 0.00 O ATOM 20 CB ARG A 2 1.047 -3.844 -1.342 1.00 0.00 C ATOM 21 CG ARG A 2 1.931 -4.868 -0.603 1.00 0.00 C ATOM 22 CD ARG A 2 1.786 -6.286 -1.177 1.00 0.00 C ATOM 23 NE ARG A 2 2.601 -7.312 -0.479 1.00 0.00 N ATOM 24 CZ ARG A 2 2.576 -8.683 -0.757 1.00 0.00 C ATOM 25 NH1 ARG A 2 1.732 -9.216 -1.773 1.00 0.00 N ATOM 26 NH2 ARG A 2 3.407 -9.561 -0.011 1.00 0.00 N ATOM 0 HA ARG A 2 2.178 -2.160 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.011 -4.180 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.328 -3.840 -2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.974 -4.557 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.666 -4.878 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.737 -6.579 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.067 -6.270 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 2 3.227 -6.993 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.130 -8.595 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.729 -10.219 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.015 -9.190 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.396 -10.562 -0.206 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.330 -0.079 -1.244 1.00 0.00 N HETATM 41 C2 MFD A 3 0.214 2.364 -1.819 1.00 0.00 C HETATM 42 C1 MFD A 3 1.704 2.270 -2.170 1.00 0.00 C HETATM 43 O1 MFD A 3 2.058 1.772 -3.240 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.438 0.969 -1.934 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.415 3.431 -2.737 1.00 0.00 C HETATM 46 C7 MFD A 3 -4.764 -0.754 -1.380 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.234 0.486 -1.279 1.00 0.00 C HETATM 48 C5 MFD A 3 -2.983 0.680 -2.067 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.856 1.006 -1.404 1.00 0.00 C HETATM 50 C' MFD A 3 -4.003 -2.081 1.135 1.00 0.00 C HETATM 51 C9 MFD A 3 -5.169 -2.591 0.246 1.00 0.00 C HETATM 52 C8 MFD A 3 -5.847 -1.416 -0.550 1.00 0.00 C HETATM 53 C4' MFD A 3 -1.697 -5.308 2.903 1.00 0.00 C HETATM 54 C3' MFD A 3 -2.516 -4.505 3.705 1.00 0.00 C HETATM 55 C2' MFD A 3 -3.259 -3.472 3.133 1.00 0.00 C HETATM 56 C1' MFD A 3 -3.211 -3.217 1.760 1.00 0.00 C HETATM 57 C6' MFD A 3 -2.382 -4.023 0.972 1.00 0.00 C HETATM 58 C5' MFD A 3 -1.633 -5.060 1.528 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.101 -3.455 0.913 1.00 0.00 O HETATM 60 CM9 MFD A 3 -6.861 -2.895 1.971 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.027 -1.815 -1.474 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.755 1.504 -0.277 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.195 0.159 -0.759 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -6.189 -2.535 2.750 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -7.455 -2.064 1.592 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -7.523 -3.655 2.385 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.429 -0.924 -1.956 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -6.674 -2.511 -2.235 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -7.808 -2.291 -0.882 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.808 1.704 -0.476 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.645 1.109 0.733 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -4.186 2.429 -0.369 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.076 4.390 -2.570 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.288 3.135 -3.778 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.478 3.523 -2.513 1.00 0.00 H new HETATM 0 H9 MFD A 3 -4.711 -3.249 -0.492 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.295 -0.755 0.192 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.351 -1.371 -2.178 1.00 0.00 H new HETATM 0 H6' MFD A 3 -2.320 -3.836 -0.100 1.00 0.00 H new HETATM 0 H5' MFD A 3 -0.998 -5.677 0.891 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.980 0.561 -3.151 1.00 0.00 H new HETATM 0 H4' MFD A 3 -1.116 -6.117 3.345 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.979 1.333 -0.371 1.00 0.00 H new HETATM 0 H3' MFD A 3 -2.573 -4.687 4.778 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.447 0.713 -2.994 1.00 0.00 H new HETATM 0 H2' MFD A 3 -3.890 -2.851 3.770 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.052 2.677 -0.788 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -3.335 -1.464 0.534 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -4.403 -1.444 1.924 1.00 0.00 H new HETATM 90 N FGA A 4 2.596 2.742 -1.219 1.00 0.00 N HETATM 91 CA FGA A 4 4.048 2.514 -1.312 1.00 0.00 C HETATM 92 C FGA A 4 4.621 3.972 -1.349 1.00 0.00 C HETATM 93 O FGA A 4 5.044 4.437 -0.288 1.00 0.00 O HETATM 94 CB FGA A 4 4.583 1.527 -0.253 1.00 0.00 C HETATM 95 CG FGA A 4 4.381 1.818 1.247 1.00 0.00 C HETATM 96 CD FGA A 4 5.059 0.762 2.170 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.815 -0.070 1.679 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.783 2.805 1.477 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.313 1.850 1.464 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.132 0.556 -0.458 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.655 1.422 -0.421 1.00 0.00 H new HETATM 0 HA FGA A 4 4.381 1.971 -2.196 1.00 0.00 H new HETATM 104 N MDH A 5 4.790 0.807 3.562 1.00 0.00 N HETATM 105 CM MDH A 5 5.319 -0.316 4.346 1.00 0.00 C HETATM 106 CA MDH A 5 3.774 1.649 4.110 1.00 0.00 C HETATM 107 C MDH A 5 2.423 1.046 4.420 1.00 0.00 C HETATM 108 O MDH A 5 1.879 1.244 5.501 1.00 0.00 O HETATM 109 CB MDH A 5 4.007 2.969 4.356 1.00 0.00 C HETATM 110 CG MDH A 5 5.278 3.756 4.153 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.761 0.061 5.269 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.510 -1.005 4.586 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.080 -0.838 3.766 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.074 3.323 4.758 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.563 3.723 3.101 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.116 4.792 4.452 1.00 0.00 H new HETATM 0 HB MDH A 5 3.162 3.532 4.753 1.00 0.00 H new TER 118 MDH A 5