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 -0.610 0.037 3.178 1.00 0.00 C HETATM 2 O ACB A 1 -1.135 0.763 4.029 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.953 -0.151 2.007 1.00 0.00 O HETATM 4 CA ACB A 1 0.683 -0.729 3.640 1.00 0.00 C HETATM 5 N ACB A 1 1.767 0.230 3.352 1.00 0.00 N HETATM 6 CB ACB A 1 0.822 -2.144 2.944 1.00 0.00 C HETATM 7 CG ACB A 1 1.586 -2.082 1.612 1.00 0.00 C HETATM 8 C4 ACB A 1 1.478 -3.237 3.808 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.800 -1.870 1.593 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.218 -2.424 2.777 1.00 0.00 H new HETATM 0 HA ACB A 1 0.683 -1.005 4.694 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.486 -2.927 4.084 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.886 -3.392 4.710 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.527 -4.167 3.242 1.00 0.00 H new ATOM 16 N ARG A 2 0.845 -2.285 0.460 1.00 0.00 N ATOM 17 CA ARG A 2 1.392 -2.064 -0.878 1.00 0.00 C ATOM 18 C ARG A 2 0.330 -1.182 -1.586 1.00 0.00 C ATOM 19 O ARG A 2 -0.220 -1.558 -2.619 1.00 0.00 O ATOM 20 CB ARG A 2 1.706 -3.367 -1.636 1.00 0.00 C ATOM 21 CG ARG A 2 2.917 -4.177 -1.121 1.00 0.00 C ATOM 22 CD ARG A 2 4.285 -3.456 -1.193 1.00 0.00 C ATOM 23 NE ARG A 2 4.673 -2.992 -2.549 1.00 0.00 N ATOM 24 CZ ARG A 2 5.732 -2.123 -2.834 1.00 0.00 C ATOM 25 NH1 ARG A 2 6.582 -1.629 -1.803 1.00 0.00 N ATOM 26 NH2 ARG A 2 5.966 -1.728 -4.178 1.00 0.00 N ATOM 0 HA ARG A 2 2.366 -1.575 -0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.824 -4.007 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.878 -3.122 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.729 -4.458 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.983 -5.101 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.263 -2.597 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.056 -4.131 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 2 4.123 -3.335 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.424 -1.908 -0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.348 -0.996 -2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.365 -2.077 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.735 -1.095 -4.397 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.104 0.057 -0.999 1.00 0.00 N HETATM 41 C2 MFD A 3 0.214 2.440 -1.710 1.00 0.00 C HETATM 42 C1 MFD A 3 1.647 2.131 -2.171 1.00 0.00 C HETATM 43 O1 MFD A 3 1.849 1.549 -3.238 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.619 1.138 -1.682 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.355 3.532 -2.637 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.579 1.029 -1.539 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.471 1.551 -0.965 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.181 1.260 -1.670 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.982 1.388 -1.064 1.00 0.00 C HETATM 50 C' MFD A 3 -6.741 -1.132 0.049 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.572 -0.321 -1.001 1.00 0.00 C HETATM 52 C8 MFD A 3 -7.030 1.133 -1.118 1.00 0.00 C HETATM 53 C4' MFD A 3 -3.068 -3.019 -1.322 1.00 0.00 C HETATM 54 C3' MFD A 3 -3.066 -2.193 -0.194 1.00 0.00 C HETATM 55 C2' MFD A 3 -4.248 -1.583 0.227 1.00 0.00 C HETATM 56 C1' MFD A 3 -5.453 -1.771 -0.460 1.00 0.00 C HETATM 57 C6' MFD A 3 -5.440 -2.615 -1.577 1.00 0.00 C HETATM 58 C5' MFD A 3 -4.265 -3.227 -2.014 1.00 0.00 C HETATM 59 O9 MFD A 3 -8.988 -0.394 -0.776 1.00 0.00 O HETATM 60 CM9 MFD A 3 -9.486 0.132 0.444 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.789 2.068 -2.090 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.588 2.394 0.297 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.035 0.227 -0.619 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -9.034 -0.400 1.281 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -9.238 1.191 0.511 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -10.569 0.010 0.478 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.335 3.059 -2.070 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.734 1.664 -3.101 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.833 2.141 -1.784 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.213 3.264 0.097 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.038 1.799 1.092 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.597 2.723 0.608 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.265 4.426 -2.569 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.359 3.171 -3.665 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.374 3.773 -2.333 1.00 0.00 H new HETATM 0 H9 MFD A 3 -7.433 -0.793 -1.973 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.170 1.601 -0.144 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.400 0.445 -2.442 1.00 0.00 H new HETATM 0 H6' MFD A 3 -6.369 -2.798 -2.117 1.00 0.00 H new HETATM 0 H5' MFD A 3 -4.280 -3.868 -2.896 1.00 0.00 H new HETATM 0 H5 MFD A 3 -3.212 0.933 -2.709 1.00 0.00 H new HETATM 0 H4' MFD A 3 -2.147 -3.495 -1.658 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.994 1.704 -0.021 1.00 0.00 H new HETATM 0 H3' MFD A 3 -2.140 -2.026 0.357 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.779 0.812 -2.710 1.00 0.00 H new HETATM 0 H2' MFD A 3 -4.233 -0.946 1.111 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.186 2.826 -0.691 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.490 -0.467 0.875 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -7.377 -1.919 0.455 1.00 0.00 H new HETATM 90 N FGA A 4 2.661 2.513 -1.306 1.00 0.00 N HETATM 91 CA FGA A 4 4.054 2.051 -1.457 1.00 0.00 C HETATM 92 C FGA A 4 4.814 3.358 -1.865 1.00 0.00 C HETATM 93 O FGA A 4 4.733 3.646 -3.066 1.00 0.00 O HETATM 94 CB FGA A 4 4.577 1.255 -0.241 1.00 0.00 C HETATM 95 CG FGA A 4 4.537 1.866 1.179 1.00 0.00 C HETATM 96 CD FGA A 4 5.141 0.907 2.241 1.00 0.00 C HETATM 97 OE1 FGA A 4 6.041 0.146 1.894 1.00 0.00 O HETATM 0 HG3 FGA A 4 5.088 2.807 1.185 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.506 2.099 1.445 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.017 0.321 -0.204 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.615 0.996 -0.450 1.00 0.00 H new HETATM 0 HA FGA A 4 4.200 1.285 -2.219 1.00 0.00 H new HETATM 104 N MDH A 5 4.664 0.941 3.579 1.00 0.00 N HETATM 105 CM MDH A 5 5.165 -0.136 4.445 1.00 0.00 C HETATM 106 CA MDH A 5 3.565 1.748 4.012 1.00 0.00 C HETATM 107 C MDH A 5 2.263 1.067 4.370 1.00 0.00 C HETATM 108 O MDH A 5 1.728 1.255 5.457 1.00 0.00 O HETATM 109 CB MDH A 5 3.686 3.099 4.151 1.00 0.00 C HETATM 110 CG MDH A 5 4.899 3.965 3.922 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.503 0.286 5.392 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.366 -0.854 4.632 1.00 0.00 H new HETATM 0 HM1 MDH A 5 5.998 -0.640 3.954 1.00 0.00 H new HETATM 0 HG3 MDH A 5 5.702 3.649 4.588 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.226 3.867 2.887 1.00 0.00 H new HETATM 0 HG1 MDH A 5 4.647 5.006 4.126 1.00 0.00 H new HETATM 0 HB MDH A 5 2.785 3.623 4.470 1.00 0.00 H new TER 118 MDH A 5