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 -0.552 0.130 3.088 1.00 0.00 C HETATM 2 O ACB A 1 -0.902 -0.114 1.930 1.00 0.00 O HETATM 3 OXT ACB A 1 -1.040 0.936 3.888 1.00 0.00 O HETATM 4 CA ACB A 1 0.698 -0.670 3.613 1.00 0.00 C HETATM 5 N ACB A 1 1.829 0.241 3.352 1.00 0.00 N HETATM 6 CB ACB A 1 0.810 -2.103 2.970 1.00 0.00 C HETATM 7 CG ACB A 1 1.517 -2.096 1.607 1.00 0.00 C HETATM 8 C4 ACB A 1 1.486 -3.176 3.844 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.736 -1.931 1.529 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.239 -2.379 2.858 1.00 0.00 H new HETATM 0 HA ACB A 1 0.648 -0.919 4.673 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.504 -2.866 4.078 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.923 -3.300 4.769 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.510 -4.123 3.304 1.00 0.00 H new ATOM 16 N ARG A 2 0.720 -2.311 0.496 1.00 0.00 N ATOM 17 CA ARG A 2 1.226 -2.243 -0.874 1.00 0.00 C ATOM 18 C ARG A 2 0.226 -1.306 -1.599 1.00 0.00 C ATOM 19 O ARG A 2 -0.435 -1.697 -2.559 1.00 0.00 O ATOM 20 CB ARG A 2 1.363 -3.623 -1.541 1.00 0.00 C ATOM 21 CG ARG A 2 2.468 -4.539 -0.969 1.00 0.00 C ATOM 22 CD ARG A 2 3.924 -4.054 -1.172 1.00 0.00 C ATOM 23 NE ARG A 2 4.359 -3.969 -2.591 1.00 0.00 N ATOM 24 CZ ARG A 2 4.558 -2.802 -3.339 1.00 0.00 C ATOM 25 NH1 ARG A 2 4.369 -1.509 -2.772 1.00 0.00 N ATOM 26 NH2 ARG A 2 4.957 -2.908 -4.698 1.00 0.00 N ATOM 0 HA ARG A 2 2.246 -1.860 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.408 -4.142 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.554 -3.475 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.293 -4.662 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.367 -5.524 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.032 -3.071 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.595 -4.729 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 2 4.530 -4.853 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.082 -1.416 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.521 -0.676 -3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.095 -3.827 -5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.105 -2.065 -5.253 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.174 -0.010 -1.107 1.00 0.00 N HETATM 41 C2 MFD A 3 0.227 2.401 -1.746 1.00 0.00 C HETATM 42 C1 MFD A 3 1.689 2.171 -2.156 1.00 0.00 C HETATM 43 O1 MFD A 3 1.959 1.598 -3.213 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.552 1.068 -1.793 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.346 3.497 -2.667 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.507 0.713 -1.757 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.427 1.249 -1.145 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.120 1.085 -1.856 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.943 1.251 -1.217 1.00 0.00 C HETATM 50 C' MFD A 3 -6.782 -1.533 -0.058 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.428 -0.804 -1.275 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.954 0.687 -1.291 1.00 0.00 C HETATM 53 C4' MFD A 3 -8.827 -1.016 3.747 1.00 0.00 C HETATM 54 C3' MFD A 3 -9.229 -2.014 2.852 1.00 0.00 C HETATM 55 C2' MFD A 3 -8.565 -2.168 1.636 1.00 0.00 C HETATM 56 C1' MFD A 3 -7.498 -1.337 1.273 1.00 0.00 C HETATM 57 C6' MFD A 3 -7.102 -0.354 2.184 1.00 0.00 C HETATM 58 C5' MFD A 3 -7.755 -0.186 3.405 1.00 0.00 C HETATM 59 O9 MFD A 3 -8.852 -0.947 -1.209 1.00 0.00 O HETATM 60 CM9 MFD A 3 -9.479 -1.127 -2.466 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.765 1.686 -2.145 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.582 1.993 0.172 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.079 0.179 -0.676 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -9.275 -0.265 -3.101 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -9.090 -2.028 -2.941 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -10.555 -1.227 -2.325 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.354 2.688 -2.022 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.708 1.397 -3.195 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.806 1.679 -1.823 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.251 2.843 0.033 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.999 1.321 0.922 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.607 2.349 0.506 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.232 4.413 -2.546 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.289 3.167 -3.704 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.386 3.687 -2.403 1.00 0.00 H new HETATM 0 H9 MFD A 3 -7.109 -1.249 -2.217 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.103 1.035 -0.269 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.314 0.234 -2.717 1.00 0.00 H new HETATM 0 H6' MFD A 3 -6.264 0.296 1.935 1.00 0.00 H new HETATM 0 H5' MFD A 3 -7.429 0.594 4.094 1.00 0.00 H new HETATM 0 H5 MFD A 3 -3.119 0.825 -2.915 1.00 0.00 H new HETATM 0 H4' MFD A 3 -9.343 -0.887 4.698 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.998 1.550 -0.170 1.00 0.00 H new HETATM 0 H3' MFD A 3 -10.061 -2.671 3.106 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.649 0.770 -2.837 1.00 0.00 H new HETATM 0 H2' MFD A 3 -8.884 -2.954 0.951 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.139 2.748 -0.717 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.740 -2.600 -0.275 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.753 -1.188 0.047 1.00 0.00 H new HETATM 90 N FGA A 4 2.652 2.616 -1.264 1.00 0.00 N HETATM 91 CA FGA A 4 4.079 2.269 -1.393 1.00 0.00 C HETATM 92 C FGA A 4 4.749 3.663 -1.641 1.00 0.00 C HETATM 93 O FGA A 4 5.245 4.227 -0.663 1.00 0.00 O HETATM 94 CB FGA A 4 4.604 1.389 -0.238 1.00 0.00 C HETATM 95 CG FGA A 4 4.498 1.876 1.223 1.00 0.00 C HETATM 96 CD FGA A 4 5.136 0.878 2.232 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.991 0.095 1.830 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.989 2.845 1.316 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.449 2.024 1.478 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.083 0.433 -0.298 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.657 1.191 -0.436 1.00 0.00 H new HETATM 0 HA FGA A 4 4.322 1.595 -2.215 1.00 0.00 H new HETATM 104 N MDH A 5 4.726 0.911 3.592 1.00 0.00 N HETATM 105 CM MDH A 5 5.226 -0.193 4.423 1.00 0.00 C HETATM 106 CA MDH A 5 3.644 1.721 4.056 1.00 0.00 C HETATM 107 C MDH A 5 2.330 1.054 4.387 1.00 0.00 C HETATM 108 O MDH A 5 1.789 1.232 5.474 1.00 0.00 O HETATM 109 CB MDH A 5 3.781 3.068 4.214 1.00 0.00 C HETATM 110 CG MDH A 5 5.002 3.926 3.999 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.581 0.201 5.375 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.422 -0.906 4.603 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.046 -0.693 3.908 1.00 0.00 H new HETATM 0 HG3 MDH A 5 5.802 3.593 4.661 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.329 3.840 2.963 1.00 0.00 H new HETATM 0 HG1 MDH A 5 4.759 4.966 4.218 1.00 0.00 H new HETATM 0 HB MDH A 5 2.886 3.597 4.540 1.00 0.00 H new TER 118 MDH A 5