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 -0.323 0.488 2.939 1.00 0.00 C HETATM 2 O ACB A 1 -0.793 1.344 3.698 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.555 0.310 1.740 1.00 0.00 O HETATM 4 CA ACB A 1 0.733 -0.486 3.584 1.00 0.00 C HETATM 5 N ACB A 1 2.005 0.237 3.420 1.00 0.00 N HETATM 6 CB ACB A 1 0.659 -1.922 2.962 1.00 0.00 C HETATM 7 CG ACB A 1 1.358 -2.050 1.600 1.00 0.00 C HETATM 8 C4 ACB A 1 1.182 -3.076 3.839 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.583 -1.965 1.504 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.421 -2.030 2.860 1.00 0.00 H new HETATM 0 HA ACB A 1 0.565 -0.708 4.638 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.233 -2.907 4.075 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.606 -3.121 4.763 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.078 -4.018 3.301 1.00 0.00 H new ATOM 16 N ARG A 2 0.540 -2.315 0.516 1.00 0.00 N ATOM 17 CA ARG A 2 1.039 -2.478 -0.853 1.00 0.00 C ATOM 18 C ARG A 2 0.191 -1.486 -1.690 1.00 0.00 C ATOM 19 O ARG A 2 -0.501 -1.876 -2.629 1.00 0.00 O ATOM 20 CB ARG A 2 0.947 -3.930 -1.356 1.00 0.00 C ATOM 21 CG ARG A 2 1.839 -4.931 -0.596 1.00 0.00 C ATOM 22 CD ARG A 2 1.768 -6.381 -1.130 1.00 0.00 C ATOM 23 NE ARG A 2 0.452 -7.051 -0.958 1.00 0.00 N ATOM 24 CZ ARG A 2 -0.548 -7.180 -1.930 1.00 0.00 C ATOM 25 NH1 ARG A 2 -0.377 -6.667 -3.248 1.00 0.00 N ATOM 26 NH2 ARG A 2 -1.763 -7.837 -1.594 1.00 0.00 N ATOM 0 HA ARG A 2 2.105 -2.262 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.089 -4.260 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.217 -3.952 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.873 -4.589 -0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.552 -4.929 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.019 -6.374 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.530 -6.975 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 2 0.258 -7.456 -0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.489 -6.193 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.121 -6.774 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.899 -8.208 -0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.499 -7.937 -2.293 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.294 -0.152 -1.318 1.00 0.00 N HETATM 41 C2 MFD A 3 0.204 2.293 -1.826 1.00 0.00 C HETATM 42 C1 MFD A 3 1.705 2.232 -2.140 1.00 0.00 C HETATM 43 O1 MFD A 3 2.099 1.763 -3.209 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.437 0.906 -2.026 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.404 3.403 -2.708 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.333 0.500 -2.768 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.367 0.658 -1.831 1.00 0.00 C HETATM 48 C5 MFD A 3 -2.968 0.682 -2.369 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.892 0.940 -1.597 1.00 0.00 C HETATM 50 C' MFD A 3 -6.473 -2.187 -2.315 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.223 -1.094 -3.120 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.835 0.344 -2.622 1.00 0.00 C HETATM 53 C4' MFD A 3 -7.205 -6.178 -3.863 1.00 0.00 C HETATM 54 C3' MFD A 3 -6.365 -5.293 -4.549 1.00 0.00 C HETATM 55 C2' MFD A 3 -6.139 -4.014 -4.043 1.00 0.00 C HETATM 56 C1' MFD A 3 -6.739 -3.582 -2.854 1.00 0.00 C HETATM 57 C6' MFD A 3 -7.569 -4.480 -2.177 1.00 0.00 C HETATM 58 C5' MFD A 3 -7.806 -5.763 -2.669 1.00 0.00 C HETATM 59 O9 MFD A 3 -8.638 -1.304 -3.243 1.00 0.00 O HETATM 60 CM9 MFD A 3 -9.414 -1.233 -2.058 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.529 1.523 -3.355 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.696 0.682 -0.345 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.125 0.079 -0.774 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -9.070 -1.989 -1.352 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -9.307 -0.244 -1.612 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -10.462 -1.411 -2.298 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.209 2.466 -2.911 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.255 1.507 -4.410 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.610 1.425 -3.259 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.380 1.505 -0.137 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.165 -0.260 -0.061 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.779 0.818 0.228 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.074 4.355 -2.476 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.243 3.162 -3.759 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.474 3.478 -2.513 1.00 0.00 H new HETATM 0 H9 MFD A 3 -6.874 -1.183 -4.149 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.180 0.406 -1.590 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.971 0.482 -3.796 1.00 0.00 H new HETATM 0 H6' MFD A 3 -8.041 -4.171 -1.244 1.00 0.00 H new HETATM 0 H5' MFD A 3 -8.460 -6.443 -2.123 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.813 0.482 -3.429 1.00 0.00 H new HETATM 0 H4' MFD A 3 -7.389 -7.179 -4.254 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.088 1.200 -0.557 1.00 0.00 H new HETATM 0 H3' MFD A 3 -5.888 -5.604 -5.478 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.384 0.667 -3.088 1.00 0.00 H new HETATM 0 H2' MFD A 3 -5.481 -3.335 -4.585 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.011 2.546 -0.784 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -5.402 -1.986 -2.344 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -6.778 -2.139 -1.270 1.00 0.00 H new HETATM 90 N FGA A 4 2.558 2.715 -1.161 1.00 0.00 N HETATM 91 CA FGA A 4 4.022 2.586 -1.245 1.00 0.00 C HETATM 92 C FGA A 4 4.494 4.080 -1.246 1.00 0.00 C HETATM 93 O FGA A 4 4.866 4.551 -0.168 1.00 0.00 O HETATM 94 CB FGA A 4 4.616 1.615 -0.204 1.00 0.00 C HETATM 95 CG FGA A 4 4.389 1.855 1.302 1.00 0.00 C HETATM 96 CD FGA A 4 5.117 0.806 2.197 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.884 0.000 1.679 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.739 2.854 1.563 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.320 1.826 1.513 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.232 0.621 -0.434 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.693 1.586 -0.367 1.00 0.00 H new HETATM 0 HA FGA A 4 4.398 2.084 -2.137 1.00 0.00 H new HETATM 104 N MDH A 5 4.875 0.821 3.596 1.00 0.00 N HETATM 105 CM MDH A 5 5.447 -0.299 4.354 1.00 0.00 C HETATM 106 CA MDH A 5 3.864 1.643 4.181 1.00 0.00 C HETATM 107 C MDH A 5 2.505 1.040 4.464 1.00 0.00 C HETATM 108 O MDH A 5 1.925 1.262 5.522 1.00 0.00 O HETATM 109 CB MDH A 5 4.105 2.952 4.472 1.00 0.00 C HETATM 110 CG MDH A 5 5.380 3.738 4.291 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.912 0.078 5.265 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.657 -1.003 4.615 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.197 -0.804 3.746 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.176 3.280 4.878 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.660 3.739 3.238 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.226 4.763 4.627 1.00 0.00 H new HETATM 0 HB MDH A 5 3.265 3.505 4.891 1.00 0.00 H new TER 118 MDH A 5