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 -0.530 0.249 3.004 1.00 0.00 C HETATM 2 O ACB A 1 -0.979 1.127 3.750 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.891 -0.049 1.862 1.00 0.00 O HETATM 4 CA ACB A 1 0.674 -0.578 3.589 1.00 0.00 C HETATM 5 N ACB A 1 1.847 0.284 3.346 1.00 0.00 N HETATM 6 CB ACB A 1 0.759 -2.032 3.002 1.00 0.00 C HETATM 7 CG ACB A 1 1.475 -2.090 1.643 1.00 0.00 C HETATM 8 C4 ACB A 1 1.409 -3.084 3.920 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.699 -1.971 1.568 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.294 -2.291 2.894 1.00 0.00 H new HETATM 0 HA ACB A 1 0.576 -0.793 4.653 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.432 -2.786 4.148 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.839 -3.161 4.846 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.416 -4.051 3.417 1.00 0.00 H new ATOM 16 N ARG A 2 0.677 -2.316 0.536 1.00 0.00 N ATOM 17 CA ARG A 2 1.195 -2.339 -0.833 1.00 0.00 C ATOM 18 C ARG A 2 0.245 -1.382 -1.599 1.00 0.00 C ATOM 19 O ARG A 2 -0.446 -1.781 -2.535 1.00 0.00 O ATOM 20 CB ARG A 2 1.247 -3.758 -1.428 1.00 0.00 C ATOM 21 CG ARG A 2 2.216 -4.756 -0.756 1.00 0.00 C ATOM 22 CD ARG A 2 3.712 -4.469 -0.972 1.00 0.00 C ATOM 23 NE ARG A 2 4.627 -5.407 -0.273 1.00 0.00 N ATOM 24 CZ ARG A 2 5.028 -6.664 -0.740 1.00 0.00 C ATOM 25 NH1 ARG A 2 4.568 -7.173 -1.988 1.00 0.00 N ATOM 26 NH2 ARG A 2 5.913 -7.448 0.047 1.00 0.00 N ATOM 0 HA ARG A 2 2.235 -2.017 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.243 -4.180 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.518 -3.676 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.016 -4.765 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.997 -5.756 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.925 -4.503 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.926 -3.454 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 2 4.997 -5.108 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.933 -6.619 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.874 -8.092 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.249 -7.093 0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.212 -8.366 -0.283 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.264 -0.062 -1.169 1.00 0.00 N HETATM 41 C2 MFD A 3 0.222 2.368 -1.774 1.00 0.00 C HETATM 42 C1 MFD A 3 1.703 2.218 -2.148 1.00 0.00 C HETATM 43 O1 MFD A 3 2.026 1.659 -3.197 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.488 0.999 -1.854 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.383 3.446 -2.696 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.140 -0.239 -1.413 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.328 0.816 -1.167 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.045 0.820 -1.929 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.891 1.109 -1.295 1.00 0.00 C HETATM 50 C' MFD A 3 -4.947 -1.916 0.973 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.184 -1.994 0.034 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.420 -0.634 -0.706 1.00 0.00 C HETATM 53 C4' MFD A 3 -4.265 -5.637 3.099 1.00 0.00 C HETATM 54 C3' MFD A 3 -4.949 -4.585 3.719 1.00 0.00 C HETATM 55 C2' MFD A 3 -5.165 -3.392 3.030 1.00 0.00 C HETATM 56 C1' MFD A 3 -4.713 -3.217 1.719 1.00 0.00 C HETATM 57 C6' MFD A 3 -4.027 -4.275 1.114 1.00 0.00 C HETATM 58 C5' MFD A 3 -3.802 -5.475 1.788 1.00 0.00 C HETATM 59 O9 MFD A 3 -7.356 -2.312 0.804 1.00 0.00 O HETATM 60 CM9 MFD A 3 -8.096 -3.434 0.353 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.599 -0.605 -1.712 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.681 1.850 -0.108 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.150 0.154 -0.712 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -8.437 -3.259 -0.667 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -7.463 -4.321 0.377 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -8.958 -3.586 1.002 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.705 0.401 -2.119 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.402 -1.306 -2.523 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.519 -0.889 -1.202 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.633 2.318 -0.359 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.762 1.363 0.864 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.902 2.611 -0.068 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.144 4.389 -2.548 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.283 3.134 -3.735 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.438 3.579 -2.457 1.00 0.00 H new HETATM 0 H9 MFD A 3 -5.995 -2.770 -0.708 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.704 0.077 0.070 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.831 -0.892 -2.229 1.00 0.00 H new HETATM 0 H6' MFD A 3 -3.660 -4.159 0.094 1.00 0.00 H new HETATM 0 H5' MFD A 3 -3.266 -6.286 1.294 1.00 0.00 H new HETATM 0 H5 MFD A 3 -3.041 0.590 -2.994 1.00 0.00 H new HETATM 0 H4' MFD A 3 -4.095 -6.573 3.631 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.977 1.461 -0.267 1.00 0.00 H new HETATM 0 H3' MFD A 3 -5.313 -4.698 4.740 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.541 0.718 -2.906 1.00 0.00 H new HETATM 0 H2' MFD A 3 -5.697 -2.579 3.524 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.092 2.697 -0.743 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -4.062 -1.671 0.386 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.088 -1.108 1.690 1.00 0.00 H new HETATM 90 N FGA A 4 2.623 2.718 -1.238 1.00 0.00 N HETATM 91 CA FGA A 4 4.067 2.453 -1.343 1.00 0.00 C HETATM 92 C FGA A 4 4.672 3.896 -1.433 1.00 0.00 C HETATM 93 O FGA A 4 5.115 4.384 -0.390 1.00 0.00 O HETATM 94 CB FGA A 4 4.594 1.490 -0.259 1.00 0.00 C HETATM 95 CG FGA A 4 4.416 1.830 1.234 1.00 0.00 C HETATM 96 CD FGA A 4 5.077 0.781 2.176 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.862 -0.037 1.707 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.847 2.811 1.432 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.352 1.897 1.462 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.121 0.523 -0.429 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.662 1.358 -0.435 1.00 0.00 H new HETATM 0 HA FGA A 4 4.375 1.874 -2.214 1.00 0.00 H new HETATM 104 N MDH A 5 4.761 0.812 3.560 1.00 0.00 N HETATM 105 CM MDH A 5 5.268 -0.318 4.349 1.00 0.00 C HETATM 106 CA MDH A 5 3.735 1.654 4.089 1.00 0.00 C HETATM 107 C MDH A 5 2.387 1.046 4.401 1.00 0.00 C HETATM 108 O MDH A 5 1.853 1.226 5.490 1.00 0.00 O HETATM 109 CB MDH A 5 3.956 2.979 4.322 1.00 0.00 C HETATM 110 CG MDH A 5 5.222 3.774 4.125 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.689 0.051 5.284 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.451 -1.006 4.566 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.041 -0.839 3.784 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.015 3.355 4.745 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.519 3.731 3.077 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.048 4.812 4.410 1.00 0.00 H new HETATM 0 HB MDH A 5 3.102 3.539 4.702 1.00 0.00 H new TER 118 MDH A 5