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 -0.354 0.453 2.968 1.00 0.00 C HETATM 2 O ACB A 1 -0.603 0.268 1.774 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.823 1.305 3.732 1.00 0.00 O HETATM 4 CA ACB A 1 0.726 -0.502 3.600 1.00 0.00 C HETATM 5 N ACB A 1 1.984 0.241 3.420 1.00 0.00 N HETATM 6 CB ACB A 1 0.675 -1.941 2.980 1.00 0.00 C HETATM 7 CG ACB A 1 1.381 -2.055 1.621 1.00 0.00 C HETATM 8 C4 ACB A 1 1.210 -3.084 3.862 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.609 -1.985 1.536 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.402 -2.071 2.873 1.00 0.00 H new HETATM 0 HA ACB A 1 0.570 -0.724 4.656 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.257 -2.899 4.102 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.630 -3.135 4.783 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.122 -4.029 3.326 1.00 0.00 H new ATOM 16 N ARG A 2 0.569 -2.289 0.526 1.00 0.00 N ATOM 17 CA ARG A 2 1.078 -2.439 -0.838 1.00 0.00 C ATOM 18 C ARG A 2 0.195 -1.476 -1.669 1.00 0.00 C ATOM 19 O ARG A 2 -0.525 -1.888 -2.577 1.00 0.00 O ATOM 20 CB ARG A 2 1.042 -3.896 -1.331 1.00 0.00 C ATOM 21 CG ARG A 2 2.026 -4.826 -0.593 1.00 0.00 C ATOM 22 CD ARG A 2 1.992 -6.298 -1.068 1.00 0.00 C ATOM 23 NE ARG A 2 0.714 -7.017 -0.830 1.00 0.00 N ATOM 24 CZ ARG A 2 0.281 -7.530 0.398 1.00 0.00 C ATOM 25 NH1 ARG A 2 1.059 -7.379 1.582 1.00 0.00 N ATOM 26 NH2 ARG A 2 -0.959 -8.219 0.466 1.00 0.00 N ATOM 0 HA ARG A 2 2.136 -2.189 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.031 -4.285 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.268 -3.915 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.037 -4.439 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.805 -4.796 0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.209 -6.322 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.793 -6.842 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 2 0.098 -7.148 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.952 -6.888 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.722 -7.762 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.524 -8.336 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.284 -8.597 1.356 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.304 -0.136 -1.323 1.00 0.00 N HETATM 41 C2 MFD A 3 0.199 2.306 -1.841 1.00 0.00 C HETATM 42 C1 MFD A 3 1.700 2.242 -2.154 1.00 0.00 C HETATM 43 O1 MFD A 3 2.091 1.774 -3.225 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.443 0.916 -2.026 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.413 3.405 -2.733 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.122 -0.407 -2.148 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.320 0.557 -1.638 1.00 0.00 C HETATM 48 C5 MFD A 3 -2.985 0.682 -2.296 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.885 0.946 -1.562 1.00 0.00 C HETATM 50 C' MFD A 3 -5.063 -2.590 -0.212 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.257 -2.419 -1.193 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.443 -0.921 -1.610 1.00 0.00 C HETATM 53 C4' MFD A 3 -4.447 -6.745 0.875 1.00 0.00 C HETATM 54 C3' MFD A 3 -3.979 -6.254 -0.350 1.00 0.00 C HETATM 55 C2' MFD A 3 -4.181 -4.917 -0.687 1.00 0.00 C HETATM 56 C1' MFD A 3 -4.853 -4.042 0.174 1.00 0.00 C HETATM 57 C6' MFD A 3 -5.311 -4.545 1.395 1.00 0.00 C HETATM 58 C5' MFD A 3 -5.115 -5.880 1.749 1.00 0.00 C HETATM 59 O9 MFD A 3 -7.465 -2.879 -0.563 1.00 0.00 O HETATM 60 CM9 MFD A 3 -8.191 -3.861 -1.283 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.572 -0.637 -2.632 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.742 1.357 -0.413 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.143 0.101 -0.793 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -8.484 -3.459 -2.253 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -7.565 -4.742 -1.429 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -9.083 -4.139 -0.721 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.646 0.437 -2.803 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.346 -1.139 -3.573 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.519 -1.008 -2.240 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.671 1.886 -0.626 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.894 0.681 0.428 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.963 2.078 -0.163 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.063 4.360 -2.512 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.253 3.154 -3.781 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.483 3.479 -2.537 1.00 0.00 H new HETATM 0 H9 MFD A 3 -6.044 -3.005 -2.087 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.758 -0.397 -0.707 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.772 -0.876 -3.067 1.00 0.00 H new HETATM 0 H6' MFD A 3 -5.832 -3.881 2.085 1.00 0.00 H new HETATM 0 H5' MFD A 3 -5.482 -6.249 2.706 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.899 0.559 -3.376 1.00 0.00 H new HETATM 0 H4' MFD A 3 -4.293 -7.790 1.145 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.052 1.211 -0.518 1.00 0.00 H new HETATM 0 H3' MFD A 3 -3.457 -6.917 -1.040 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.411 0.675 -3.089 1.00 0.00 H new HETATM 0 H2' MFD A 3 -3.808 -4.545 -1.641 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.009 2.571 -0.801 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -4.155 -2.202 -0.674 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.242 -1.998 0.685 1.00 0.00 H new HETATM 90 N FGA A 4 2.557 2.717 -1.174 1.00 0.00 N HETATM 91 CA FGA A 4 4.020 2.571 -1.255 1.00 0.00 C HETATM 92 C FGA A 4 4.508 4.060 -1.256 1.00 0.00 C HETATM 93 O FGA A 4 4.878 4.529 -0.176 1.00 0.00 O HETATM 94 CB FGA A 4 4.600 1.593 -0.213 1.00 0.00 C HETATM 95 CG FGA A 4 4.381 1.840 1.292 1.00 0.00 C HETATM 96 CD FGA A 4 5.102 0.788 2.190 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.864 -0.022 1.673 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.741 2.837 1.548 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.312 1.822 1.506 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.199 0.605 -0.439 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.676 1.546 -0.379 1.00 0.00 H new HETATM 0 HA FGA A 4 4.393 2.065 -2.145 1.00 0.00 H new HETATM 104 N MDH A 5 4.860 0.807 3.588 1.00 0.00 N HETATM 105 CM MDH A 5 5.422 -0.318 4.346 1.00 0.00 C HETATM 106 CA MDH A 5 3.853 1.636 4.171 1.00 0.00 C HETATM 107 C MDH A 5 2.495 1.038 4.463 1.00 0.00 C HETATM 108 O MDH A 5 1.925 1.257 5.527 1.00 0.00 O HETATM 109 CB MDH A 5 4.099 2.947 4.450 1.00 0.00 C HETATM 110 CG MDH A 5 5.373 3.731 4.255 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.887 0.054 5.259 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.626 -1.017 4.604 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.170 -0.828 3.739 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.173 3.277 4.840 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.646 3.725 3.200 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.222 4.759 4.584 1.00 0.00 H new HETATM 0 HB MDH A 5 3.262 3.504 4.871 1.00 0.00 H new TER 118 MDH A 5