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 -0.407 0.369 3.012 1.00 0.00 C HETATM 2 O ACB A 1 -0.684 0.177 1.825 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.885 1.201 3.791 1.00 0.00 O HETATM 4 CA ACB A 1 0.725 -0.546 3.611 1.00 0.00 C HETATM 5 N ACB A 1 1.947 0.252 3.412 1.00 0.00 N HETATM 6 CB ACB A 1 0.726 -1.982 2.976 1.00 0.00 C HETATM 7 CG ACB A 1 1.432 -2.049 1.613 1.00 0.00 C HETATM 8 C4 ACB A 1 1.312 -3.111 3.845 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.656 -1.932 1.526 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.345 -2.158 2.872 1.00 0.00 H new HETATM 0 HA ACB A 1 0.598 -0.785 4.667 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.352 -2.886 4.080 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.740 -3.192 4.770 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.258 -4.054 3.301 1.00 0.00 H new ATOM 16 N ARG A 2 0.626 -2.289 0.515 1.00 0.00 N ATOM 17 CA ARG A 2 1.139 -2.364 -0.854 1.00 0.00 C ATOM 18 C ARG A 2 0.212 -1.420 -1.661 1.00 0.00 C ATOM 19 O ARG A 2 -0.454 -1.834 -2.609 1.00 0.00 O ATOM 20 CB ARG A 2 1.181 -3.802 -1.399 1.00 0.00 C ATOM 21 CG ARG A 2 2.186 -4.723 -0.680 1.00 0.00 C ATOM 22 CD ARG A 2 2.210 -6.152 -1.245 1.00 0.00 C ATOM 23 NE ARG A 2 3.184 -7.063 -0.591 1.00 0.00 N ATOM 24 CZ ARG A 2 2.999 -7.716 0.633 1.00 0.00 C ATOM 25 NH1 ARG A 2 1.801 -7.552 1.388 1.00 0.00 N ATOM 26 NH2 ARG A 2 4.026 -8.560 1.134 1.00 0.00 N ATOM 0 HA ARG A 2 2.182 -2.053 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.185 -4.238 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.430 -3.769 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.184 -4.292 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.938 -4.763 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.213 -6.582 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.438 -6.103 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 2 4.066 -7.227 -1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.057 -6.949 1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.688 -8.038 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.888 -8.685 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.902 -9.041 2.025 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.223 -0.093 -1.254 1.00 0.00 N HETATM 41 C2 MFD A 3 0.203 2.328 -1.836 1.00 0.00 C HETATM 42 C1 MFD A 3 1.698 2.201 -2.164 1.00 0.00 C HETATM 43 O1 MFD A 3 2.064 1.689 -3.223 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.493 0.959 -1.987 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.375 3.431 -2.746 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.380 1.239 -2.677 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.431 1.012 -1.741 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.042 0.886 -2.302 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.939 1.062 -1.542 1.00 0.00 C HETATM 50 C' MFD A 3 -7.726 2.048 -0.642 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.731 0.941 -1.721 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.856 1.437 -2.904 1.00 0.00 C HETATM 53 C4' MFD A 3 -10.350 1.229 2.715 1.00 0.00 C HETATM 54 C3' MFD A 3 -10.776 2.049 1.665 1.00 0.00 C HETATM 55 C2' MFD A 3 -9.923 2.307 0.592 1.00 0.00 C HETATM 56 C1' MFD A 3 -8.637 1.760 0.535 1.00 0.00 C HETATM 57 C6' MFD A 3 -8.225 0.945 1.593 1.00 0.00 C HETATM 58 C5' MFD A 3 -9.066 0.677 2.673 1.00 0.00 C HETATM 59 O9 MFD A 3 -9.071 0.638 -2.136 1.00 0.00 O HETATM 60 CM9 MFD A 3 -9.522 -0.667 -1.808 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.229 0.792 -4.276 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.698 0.844 -0.261 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.070 0.135 -0.733 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -8.875 -1.405 -2.282 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -9.494 -0.801 -0.727 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -10.544 -0.799 -2.163 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -6.660 1.274 -5.071 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -6.993 -0.272 -4.254 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.295 0.923 -4.462 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.170 1.746 0.128 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.360 -0.008 -0.105 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.757 0.673 0.261 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.140 4.371 -2.550 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.235 3.151 -3.790 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.439 3.551 -2.542 1.00 0.00 H new HETATM 0 H9 MFD A 3 -7.318 0.014 -1.324 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.075 2.504 -2.946 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.883 1.304 -3.645 1.00 0.00 H new HETATM 0 H6' MFD A 3 -7.226 0.510 1.574 1.00 0.00 H new HETATM 0 H5' MFD A 3 -8.722 0.037 3.485 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.921 0.644 -3.358 1.00 0.00 H new HETATM 0 H4' MFD A 3 -11.011 1.023 3.556 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.107 1.305 -0.493 1.00 0.00 H new HETATM 0 H3' MFD A 3 -11.774 2.486 1.685 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.475 0.677 -3.040 1.00 0.00 H new HETATM 0 H2' MFD A 3 -10.266 2.949 -0.220 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.033 2.621 -0.800 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.708 2.182 -0.277 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -8.027 2.990 -1.100 1.00 0.00 H new HETATM 90 N FGA A 4 2.576 2.676 -1.203 1.00 0.00 N HETATM 91 CA FGA A 4 4.034 2.487 -1.290 1.00 0.00 C HETATM 92 C FGA A 4 4.565 3.960 -1.346 1.00 0.00 C HETATM 93 O FGA A 4 4.966 4.451 -0.288 1.00 0.00 O HETATM 94 CB FGA A 4 4.602 1.533 -0.219 1.00 0.00 C HETATM 95 CG FGA A 4 4.390 1.829 1.280 1.00 0.00 C HETATM 96 CD FGA A 4 5.100 0.797 2.208 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.879 -0.015 1.719 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.763 2.828 1.504 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.322 1.831 1.497 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.186 0.545 -0.414 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.677 1.465 -0.385 1.00 0.00 H new HETATM 0 HA FGA A 4 4.379 1.938 -2.166 1.00 0.00 H new HETATM 104 N MDH A 5 4.830 0.834 3.601 1.00 0.00 N HETATM 105 CM MDH A 5 5.380 -0.281 4.383 1.00 0.00 C HETATM 106 CA MDH A 5 3.805 1.661 4.154 1.00 0.00 C HETATM 107 C MDH A 5 2.458 1.045 4.457 1.00 0.00 C HETATM 108 O MDH A 5 1.899 1.245 5.530 1.00 0.00 O HETATM 109 CB MDH A 5 4.025 2.983 4.402 1.00 0.00 C HETATM 110 CG MDH A 5 5.288 3.784 4.201 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.821 0.103 5.303 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.582 -0.982 4.628 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.145 -0.792 3.799 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.089 3.359 4.806 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.574 3.755 3.149 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.115 4.817 4.502 1.00 0.00 H new HETATM 0 HB MDH A 5 3.174 3.536 4.799 1.00 0.00 H new TER 118 MDH A 5