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 -0.298 0.463 2.963 1.00 0.00 C HETATM 2 O ACB A 1 -0.518 0.313 1.757 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.784 1.293 3.738 1.00 0.00 O HETATM 4 CA ACB A 1 0.765 -0.516 3.590 1.00 0.00 C HETATM 5 N ACB A 1 2.032 0.219 3.443 1.00 0.00 N HETATM 6 CB ACB A 1 0.701 -1.937 2.936 1.00 0.00 C HETATM 7 CG ACB A 1 1.378 -2.025 1.559 1.00 0.00 C HETATM 8 C4 ACB A 1 1.251 -3.109 3.770 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.597 -1.893 1.442 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.380 -2.052 2.854 1.00 0.00 H new HETATM 0 HA ACB A 1 0.599 -0.760 4.639 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.303 -2.934 3.994 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.690 -3.187 4.701 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.149 -4.036 3.206 1.00 0.00 H new ATOM 16 N ARG A 2 0.550 -2.310 0.487 1.00 0.00 N ATOM 17 CA ARG A 2 1.033 -2.443 -0.891 1.00 0.00 C ATOM 18 C ARG A 2 0.150 -1.466 -1.711 1.00 0.00 C ATOM 19 O ARG A 2 -0.523 -1.861 -2.661 1.00 0.00 O ATOM 20 CB ARG A 2 0.982 -3.891 -1.409 1.00 0.00 C ATOM 21 CG ARG A 2 1.916 -4.871 -0.671 1.00 0.00 C ATOM 22 CD ARG A 2 1.888 -6.317 -1.220 1.00 0.00 C ATOM 23 NE ARG A 2 0.599 -7.034 -1.033 1.00 0.00 N ATOM 24 CZ ARG A 2 -0.422 -7.169 -1.982 1.00 0.00 C ATOM 25 NH1 ARG A 2 -0.300 -6.618 -3.291 1.00 0.00 N ATOM 26 NH2 ARG A 2 -1.608 -7.868 -1.632 1.00 0.00 N ATOM 0 HA ARG A 2 2.090 -2.193 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.042 -4.256 -1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.239 -3.893 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.937 -4.493 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.642 -4.890 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.121 -6.290 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.679 -6.889 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 2 0.443 -7.470 -0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.545 -6.112 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.058 -6.730 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.709 -8.265 -0.698 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.359 -7.973 -2.315 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.209 -0.137 -1.315 1.00 0.00 N HETATM 41 C2 MFD A 3 0.200 2.297 -1.848 1.00 0.00 C HETATM 42 C1 MFD A 3 1.701 2.188 -2.150 1.00 0.00 C HETATM 43 O1 MFD A 3 2.090 1.707 -3.216 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.487 0.930 -2.046 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.369 3.419 -2.741 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.350 1.405 -2.827 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.427 1.040 -1.908 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.030 0.907 -2.433 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.946 1.030 -1.638 1.00 0.00 C HETATM 50 C' MFD A 3 -6.224 4.155 -2.526 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.955 3.154 -3.442 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.818 1.754 -2.797 1.00 0.00 C HETATM 53 C4' MFD A 3 -7.201 8.271 -3.477 1.00 0.00 C HETATM 54 C3' MFD A 3 -8.069 7.497 -2.699 1.00 0.00 C HETATM 55 C2' MFD A 3 -7.744 6.175 -2.398 1.00 0.00 C HETATM 56 C1' MFD A 3 -6.558 5.594 -2.859 1.00 0.00 C HETATM 57 C6' MFD A 3 -5.699 6.380 -3.633 1.00 0.00 C HETATM 58 C5' MFD A 3 -6.009 7.704 -3.943 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.413 3.309 -4.770 1.00 0.00 O HETATM 60 CM9 MFD A 3 -7.214 2.768 -5.808 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.619 1.574 -1.472 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.816 0.864 -0.452 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.040 0.080 -0.765 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -7.345 1.698 -5.646 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.188 3.257 -5.808 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -6.725 2.933 -6.768 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.584 0.529 -1.165 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.178 2.196 -0.693 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.656 1.871 -1.630 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.208 1.804 -0.064 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.580 0.091 -0.370 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.940 0.570 0.126 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.136 4.358 -2.512 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.208 3.167 -3.789 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.437 3.526 -2.554 1.00 0.00 H new HETATM 0 H9 MFD A 3 -8.027 3.323 -3.546 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.331 0.981 -3.370 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.933 1.460 -3.832 1.00 0.00 H new HETATM 0 H6' MFD A 3 -4.768 5.949 -4.002 1.00 0.00 H new HETATM 0 H5' MFD A 3 -5.323 8.297 -4.548 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.884 0.704 -3.494 1.00 0.00 H new HETATM 0 H4' MFD A 3 -7.450 9.304 -3.718 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.140 1.223 -0.583 1.00 0.00 H new HETATM 0 H3' MFD A 3 -8.999 7.928 -2.328 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.438 0.664 -3.102 1.00 0.00 H new HETATM 0 H2' MFD A 3 -8.428 5.582 -1.791 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.012 2.562 -0.808 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.490 3.954 -1.488 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.148 4.005 -2.614 1.00 0.00 H new HETATM 90 N FGA A 4 2.558 2.647 -1.163 1.00 0.00 N HETATM 91 CA FGA A 4 4.022 2.511 -1.248 1.00 0.00 C HETATM 92 C FGA A 4 4.496 4.003 -1.302 1.00 0.00 C HETATM 93 O FGA A 4 4.862 4.512 -0.239 1.00 0.00 O HETATM 94 CB FGA A 4 4.629 1.579 -0.178 1.00 0.00 C HETATM 95 CG FGA A 4 4.405 1.862 1.322 1.00 0.00 C HETATM 96 CD FGA A 4 5.150 0.851 2.246 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.950 0.062 1.752 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.743 2.873 1.551 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.337 1.826 1.538 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.255 0.575 -0.376 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.706 1.556 -0.344 1.00 0.00 H new HETATM 0 HA FGA A 4 4.386 1.973 -2.123 1.00 0.00 H new HETATM 104 N MDH A 5 4.888 0.880 3.641 1.00 0.00 N HETATM 105 CM MDH A 5 5.490 -0.205 4.426 1.00 0.00 C HETATM 106 CA MDH A 5 3.848 1.681 4.203 1.00 0.00 C HETATM 107 C MDH A 5 2.503 1.045 4.482 1.00 0.00 C HETATM 108 O MDH A 5 1.909 1.260 5.534 1.00 0.00 O HETATM 109 CB MDH A 5 4.049 3.002 4.474 1.00 0.00 C HETATM 110 CG MDH A 5 5.302 3.821 4.290 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.937 0.206 5.331 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.721 -0.928 4.697 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.260 -0.699 3.833 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.106 3.396 4.891 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.591 3.813 3.239 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.116 4.847 4.607 1.00 0.00 H new HETATM 0 HB MDH A 5 3.190 3.538 4.877 1.00 0.00 H new TER 118 MDH A 5