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 -0.377 0.404 2.992 1.00 0.00 C HETATM 2 O ACB A 1 -0.640 0.223 1.800 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.855 1.238 3.769 1.00 0.00 O HETATM 4 CA ACB A 1 0.732 -0.532 3.600 1.00 0.00 C HETATM 5 N ACB A 1 1.969 0.245 3.416 1.00 0.00 N HETATM 6 CB ACB A 1 0.710 -1.965 2.960 1.00 0.00 C HETATM 7 CG ACB A 1 1.410 -2.045 1.595 1.00 0.00 C HETATM 8 C4 ACB A 1 1.278 -3.107 3.823 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.632 -1.921 1.501 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.364 -2.118 2.858 1.00 0.00 H new HETATM 0 HA ACB A 1 0.593 -0.772 4.654 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.322 -2.900 4.058 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.706 -3.183 4.748 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.209 -4.046 3.275 1.00 0.00 H new ATOM 16 N ARG A 2 0.600 -2.307 0.504 1.00 0.00 N ATOM 17 CA ARG A 2 1.105 -2.394 -0.867 1.00 0.00 C ATOM 18 C ARG A 2 0.192 -1.436 -1.675 1.00 0.00 C ATOM 19 O ARG A 2 -0.475 -1.840 -2.626 1.00 0.00 O ATOM 20 CB ARG A 2 1.118 -3.832 -1.414 1.00 0.00 C ATOM 21 CG ARG A 2 2.103 -4.777 -0.695 1.00 0.00 C ATOM 22 CD ARG A 2 2.175 -6.203 -1.289 1.00 0.00 C ATOM 23 NE ARG A 2 0.931 -7.006 -1.151 1.00 0.00 N ATOM 24 CZ ARG A 2 -0.046 -7.199 -2.135 1.00 0.00 C ATOM 25 NH1 ARG A 2 0.074 -6.616 -3.429 1.00 0.00 N ATOM 26 NH2 ARG A 2 -1.185 -7.993 -1.835 1.00 0.00 N ATOM 0 HA ARG A 2 2.153 -2.103 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.113 -4.247 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.370 -3.803 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.099 -4.334 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.817 -4.848 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.425 -6.127 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.992 -6.740 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 2 0.774 -7.461 -0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.886 -6.042 -3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.652 -6.772 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.284 -8.415 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.904 -8.141 -2.543 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.217 -0.110 -1.265 1.00 0.00 N HETATM 41 C2 MFD A 3 0.208 2.316 -1.835 1.00 0.00 C HETATM 42 C1 MFD A 3 1.704 2.189 -2.152 1.00 0.00 C HETATM 43 O1 MFD A 3 2.077 1.670 -3.206 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.492 0.950 -1.993 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.361 3.424 -2.746 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.434 0.649 -2.571 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.425 1.021 -1.750 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.041 0.894 -2.310 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.939 1.061 -1.549 1.00 0.00 C HETATM 50 C' MFD A 3 -6.557 2.777 -4.221 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.435 2.126 -3.108 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.926 0.802 -2.423 1.00 0.00 C HETATM 53 C4' MFD A 3 -8.091 6.683 -5.353 1.00 0.00 C HETATM 54 C3' MFD A 3 -8.316 5.571 -6.172 1.00 0.00 C HETATM 55 C2' MFD A 3 -7.820 4.321 -5.804 1.00 0.00 C HETATM 56 C1' MFD A 3 -7.099 4.143 -4.619 1.00 0.00 C HETATM 57 C6' MFD A 3 -6.876 5.266 -3.814 1.00 0.00 C HETATM 58 C5' MFD A 3 -7.364 6.523 -4.168 1.00 0.00 C HETATM 59 O9 MFD A 3 -8.843 2.129 -3.353 1.00 0.00 O HETATM 60 CM9 MFD A 3 -9.296 1.240 -4.362 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.528 0.530 -1.000 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.773 1.765 -0.485 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.064 0.110 -0.741 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -8.822 1.494 -5.310 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -9.037 0.217 -4.089 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -10.378 1.325 -4.463 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.306 -0.494 -0.701 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.089 1.221 -0.281 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.608 0.674 -1.028 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.286 2.693 -0.738 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.425 1.147 0.133 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.860 1.993 0.066 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.154 4.363 -2.542 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.213 3.148 -3.790 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.426 3.545 -2.550 1.00 0.00 H new HETATM 0 H9 MFD A 3 -7.262 2.861 -2.322 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.346 -0.037 -2.978 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.115 0.158 -3.491 1.00 0.00 H new HETATM 0 H6' MFD A 3 -6.308 5.155 -2.890 1.00 0.00 H new HETATM 0 H5' MFD A 3 -7.179 7.381 -3.522 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.920 0.659 -3.367 1.00 0.00 H new HETATM 0 H4' MFD A 3 -8.477 7.662 -5.635 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.107 1.302 -0.499 1.00 0.00 H new HETATM 0 H3' MFD A 3 -8.879 5.682 -7.098 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.472 0.670 -3.046 1.00 0.00 H new HETATM 0 H2' MFD A 3 -7.998 3.464 -6.454 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.032 2.604 -0.799 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -5.531 2.879 -3.866 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -6.529 2.125 -5.094 1.00 0.00 H new HETATM 90 N FGA A 4 2.576 2.674 -1.191 1.00 0.00 N HETATM 91 CA FGA A 4 4.036 2.503 -1.277 1.00 0.00 C HETATM 92 C FGA A 4 4.548 3.983 -1.330 1.00 0.00 C HETATM 93 O FGA A 4 4.484 4.506 -2.450 1.00 0.00 O HETATM 94 CB FGA A 4 4.615 1.555 -0.208 1.00 0.00 C HETATM 95 CG FGA A 4 4.397 1.844 1.291 1.00 0.00 C HETATM 96 CD FGA A 4 5.118 0.817 2.216 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.905 0.014 1.725 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.758 2.847 1.519 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.329 1.833 1.507 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.213 0.561 -0.406 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.691 1.502 -0.373 1.00 0.00 H new HETATM 0 HA FGA A 4 4.389 1.959 -2.153 1.00 0.00 H new HETATM 104 N MDH A 5 4.848 0.848 3.610 1.00 0.00 N HETATM 105 CM MDH A 5 5.414 -0.260 4.391 1.00 0.00 C HETATM 106 CA MDH A 5 3.818 1.665 4.167 1.00 0.00 C HETATM 107 C MDH A 5 2.473 1.041 4.463 1.00 0.00 C HETATM 108 O MDH A 5 1.907 1.239 5.534 1.00 0.00 O HETATM 109 CB MDH A 5 4.029 2.987 4.423 1.00 0.00 C HETATM 110 CG MDH A 5 5.287 3.796 4.227 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.856 0.130 5.308 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.625 -0.969 4.642 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.181 -0.764 3.804 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.090 3.372 4.830 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.573 3.775 3.175 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.108 4.827 4.534 1.00 0.00 H new HETATM 0 HB MDH A 5 3.174 3.533 4.823 1.00 0.00 H new TER 118 MDH A 5