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 -0.297 0.499 2.933 1.00 0.00 C HETATM 2 O ACB A 1 -0.778 1.340 3.700 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.512 0.342 1.727 1.00 0.00 O HETATM 4 CA ACB A 1 0.751 -0.488 3.572 1.00 0.00 C HETATM 5 N ACB A 1 2.026 0.232 3.426 1.00 0.00 N HETATM 6 CB ACB A 1 0.668 -1.915 2.932 1.00 0.00 C HETATM 7 CG ACB A 1 1.360 -2.033 1.565 1.00 0.00 C HETATM 8 C4 ACB A 1 1.186 -3.086 3.788 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.581 -1.913 1.458 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.414 -2.010 2.836 1.00 0.00 H new HETATM 0 HA ACB A 1 0.581 -0.723 4.623 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.238 -2.927 4.023 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.612 -3.142 4.713 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.074 -4.018 3.235 1.00 0.00 H new ATOM 16 N ARG A 2 0.541 -2.331 0.489 1.00 0.00 N ATOM 17 CA ARG A 2 1.031 -2.467 -0.886 1.00 0.00 C ATOM 18 C ARG A 2 0.153 -1.486 -1.705 1.00 0.00 C ATOM 19 O ARG A 2 -0.532 -1.877 -2.649 1.00 0.00 O ATOM 20 CB ARG A 2 0.982 -3.913 -1.409 1.00 0.00 C ATOM 21 CG ARG A 2 1.933 -4.891 -0.689 1.00 0.00 C ATOM 22 CD ARG A 2 1.880 -6.334 -1.239 1.00 0.00 C ATOM 23 NE ARG A 2 2.319 -6.471 -2.651 1.00 0.00 N ATOM 24 CZ ARG A 2 2.250 -7.643 -3.411 1.00 0.00 C ATOM 25 NH1 ARG A 2 1.748 -8.855 -2.856 1.00 0.00 N ATOM 26 NH2 ARG A 2 2.689 -7.623 -4.762 1.00 0.00 N ATOM 0 HA ARG A 2 2.090 -2.223 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.038 -4.285 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.223 -3.909 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.954 -4.518 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.686 -4.908 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.506 -6.971 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.859 -6.706 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 2 2.703 -5.642 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.430 -8.879 -1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.706 -9.699 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.050 -6.760 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.643 -8.472 -5.326 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.228 -0.157 -1.315 1.00 0.00 N HETATM 41 C2 MFD A 3 0.206 2.281 -1.819 1.00 0.00 C HETATM 42 C1 MFD A 3 1.707 2.191 -2.128 1.00 0.00 C HETATM 43 O1 MFD A 3 2.098 1.701 -3.188 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.472 0.914 -2.037 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.372 3.415 -2.691 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.324 1.421 -2.816 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.410 1.005 -1.911 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.013 0.877 -2.434 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.933 0.998 -1.633 1.00 0.00 C HETATM 50 C' MFD A 3 -6.133 4.176 -2.400 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.883 3.232 -3.360 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.782 1.804 -2.773 1.00 0.00 C HETATM 53 C4' MFD A 3 -6.960 8.358 -3.199 1.00 0.00 C HETATM 54 C3' MFD A 3 -5.774 7.773 -3.658 1.00 0.00 C HETATM 55 C2' MFD A 3 -5.513 6.428 -3.398 1.00 0.00 C HETATM 56 C1' MFD A 3 -6.416 5.637 -2.681 1.00 0.00 C HETATM 57 C6' MFD A 3 -7.596 6.236 -2.227 1.00 0.00 C HETATM 58 C5' MFD A 3 -7.872 7.579 -2.479 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.327 3.433 -4.675 1.00 0.00 O HETATM 60 CM9 MFD A 3 -7.119 2.940 -5.743 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.590 1.591 -1.456 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.804 0.781 -0.463 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.055 0.059 -0.759 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -7.260 1.866 -5.625 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.089 3.437 -5.736 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -6.617 3.138 -6.690 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.581 0.534 -1.191 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.135 2.171 -0.652 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.619 1.920 -1.603 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.179 1.713 -0.040 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.582 0.019 -0.411 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.934 0.450 0.104 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.127 4.353 -2.446 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.211 3.183 -3.744 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.441 3.512 -2.500 1.00 0.00 H new HETATM 0 H9 MFD A 3 -7.951 3.427 -3.463 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.312 1.068 -3.377 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.906 1.498 -3.820 1.00 0.00 H new HETATM 0 H6' MFD A 3 -8.315 5.640 -1.664 1.00 0.00 H new HETATM 0 H5' MFD A 3 -8.799 8.022 -2.115 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.863 0.680 -3.495 1.00 0.00 H new HETATM 0 H4' MFD A 3 -7.170 9.408 -3.400 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.133 1.176 -0.576 1.00 0.00 H new HETATM 0 H3' MFD A 3 -5.054 8.369 -4.219 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.418 0.663 -3.096 1.00 0.00 H new HETATM 0 H2' MFD A 3 -4.586 5.984 -3.761 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.018 2.523 -0.773 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.418 3.945 -1.373 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.061 3.995 -2.482 1.00 0.00 H new HETATM 90 N FGA A 4 2.563 2.678 -1.153 1.00 0.00 N HETATM 91 CA FGA A 4 4.027 2.553 -1.240 1.00 0.00 C HETATM 92 C FGA A 4 4.492 4.050 -1.268 1.00 0.00 C HETATM 93 O FGA A 4 4.855 4.543 -0.197 1.00 0.00 O HETATM 94 CB FGA A 4 4.634 1.607 -0.183 1.00 0.00 C HETATM 95 CG FGA A 4 4.409 1.869 1.320 1.00 0.00 C HETATM 96 CD FGA A 4 5.148 0.839 2.229 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.941 0.051 1.723 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.752 2.874 1.564 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.341 1.836 1.534 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.260 0.605 -0.395 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.711 1.587 -0.349 1.00 0.00 H new HETATM 0 HA FGA A 4 4.398 2.034 -2.124 1.00 0.00 H new HETATM 104 N MDH A 5 4.887 0.851 3.624 1.00 0.00 N HETATM 105 CM MDH A 5 5.474 -0.253 4.393 1.00 0.00 C HETATM 106 CA MDH A 5 3.863 1.664 4.199 1.00 0.00 C HETATM 107 C MDH A 5 2.506 1.051 4.468 1.00 0.00 C HETATM 108 O MDH A 5 1.908 1.277 5.516 1.00 0.00 O HETATM 109 CB MDH A 5 4.096 2.973 4.498 1.00 0.00 C HETATM 110 CG MDH A 5 5.368 3.767 4.333 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.932 0.139 5.301 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.694 -0.966 4.659 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.233 -0.753 3.791 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.161 3.310 4.925 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.658 3.775 3.282 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.205 4.790 4.672 1.00 0.00 H new HETATM 0 HB MDH A 5 3.249 3.520 4.912 1.00 0.00 H new TER 118 MDH A 5