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 -0.391 0.383 3.003 1.00 0.00 C HETATM 2 O ACB A 1 -0.661 0.198 1.812 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.870 1.215 3.782 1.00 0.00 O HETATM 4 CA ACB A 1 0.729 -0.544 3.605 1.00 0.00 C HETATM 5 N ACB A 1 1.959 0.243 3.414 1.00 0.00 N HETATM 6 CB ACB A 1 0.717 -1.977 2.968 1.00 0.00 C HETATM 7 CG ACB A 1 1.425 -2.052 1.607 1.00 0.00 C HETATM 8 C4 ACB A 1 1.287 -3.113 3.838 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.649 -1.938 1.521 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.355 -2.140 2.859 1.00 0.00 H new HETATM 0 HA ACB A 1 0.596 -0.785 4.660 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.329 -2.900 4.078 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.711 -3.189 4.760 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.226 -4.055 3.293 1.00 0.00 H new ATOM 16 N ARG A 2 0.619 -2.293 0.508 1.00 0.00 N ATOM 17 CA ARG A 2 1.130 -2.368 -0.862 1.00 0.00 C ATOM 18 C ARG A 2 0.205 -1.422 -1.669 1.00 0.00 C ATOM 19 O ARG A 2 -0.453 -1.833 -2.623 1.00 0.00 O ATOM 20 CB ARG A 2 1.168 -3.807 -1.406 1.00 0.00 C ATOM 21 CG ARG A 2 2.183 -4.723 -0.692 1.00 0.00 C ATOM 22 CD ARG A 2 2.208 -6.176 -1.221 1.00 0.00 C ATOM 23 NE ARG A 2 0.942 -6.936 -1.054 1.00 0.00 N ATOM 24 CZ ARG A 2 0.471 -7.491 0.141 1.00 0.00 C ATOM 25 NH1 ARG A 2 1.214 -7.385 1.352 1.00 0.00 N ATOM 26 NH2 ARG A 2 -0.773 -8.176 0.146 1.00 0.00 N ATOM 0 HA ARG A 2 2.173 -2.058 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.174 -4.245 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.408 -3.776 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.179 -4.293 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.953 -4.740 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.462 -6.155 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.006 -6.716 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 2 0.365 -7.065 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.109 -6.896 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.851 -7.798 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.313 -8.259 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.127 -8.585 1.011 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.210 -0.097 -1.256 1.00 0.00 N HETATM 41 C2 MFD A 3 0.204 2.325 -1.837 1.00 0.00 C HETATM 42 C1 MFD A 3 1.699 2.191 -2.161 1.00 0.00 C HETATM 43 O1 MFD A 3 2.065 1.673 -3.217 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.501 0.960 -1.989 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.366 3.433 -2.747 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.363 1.491 -2.654 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.431 1.119 -1.748 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.053 0.935 -2.304 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.947 1.078 -1.543 1.00 0.00 C HETATM 50 C' MFD A 3 -6.082 4.289 -2.402 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.887 3.306 -3.276 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.809 1.917 -2.594 1.00 0.00 C HETATM 53 C4' MFD A 3 -6.719 8.430 -3.524 1.00 0.00 C HETATM 54 C3' MFD A 3 -7.678 7.745 -2.769 1.00 0.00 C HETATM 55 C2' MFD A 3 -7.464 6.414 -2.411 1.00 0.00 C HETATM 56 C1' MFD A 3 -6.302 5.736 -2.794 1.00 0.00 C HETATM 57 C6' MFD A 3 -5.352 6.433 -3.546 1.00 0.00 C HETATM 58 C5' MFD A 3 -5.550 7.765 -3.911 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.364 3.399 -4.617 1.00 0.00 O HETATM 60 CM9 MFD A 3 -7.198 2.849 -5.623 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.579 1.821 -1.242 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.786 1.009 -0.277 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.058 0.126 -0.735 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -7.359 1.790 -5.423 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.157 3.368 -5.625 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -6.720 2.966 -6.596 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.589 0.786 -0.902 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.084 2.443 -0.496 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.603 2.167 -1.381 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.128 1.977 0.088 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.579 0.272 -0.148 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.907 0.698 0.287 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.154 4.370 -2.548 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.225 3.155 -3.791 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.430 3.558 -2.545 1.00 0.00 H new HETATM 0 H9 MFD A 3 -7.951 3.527 -3.364 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.379 1.156 -3.127 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.977 1.481 -3.673 1.00 0.00 H new HETATM 0 H6' MFD A 3 -4.438 5.925 -3.854 1.00 0.00 H new HETATM 0 H5' MFD A 3 -4.794 8.288 -4.497 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.939 0.677 -3.357 1.00 0.00 H new HETATM 0 H4' MFD A 3 -6.881 9.470 -3.807 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.111 1.304 -0.489 1.00 0.00 H new HETATM 0 H3' MFD A 3 -8.592 8.252 -2.461 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.487 0.674 -3.041 1.00 0.00 H new HETATM 0 H2' MFD A 3 -8.217 5.892 -1.821 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.034 2.617 -0.801 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.362 4.153 -1.357 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.021 4.053 -2.480 1.00 0.00 H new HETATM 90 N FGA A 4 2.577 2.667 -1.200 1.00 0.00 N HETATM 91 CA FGA A 4 4.035 2.483 -1.287 1.00 0.00 C HETATM 92 C FGA A 4 4.560 3.958 -1.349 1.00 0.00 C HETATM 93 O FGA A 4 4.506 4.472 -2.475 1.00 0.00 O HETATM 94 CB FGA A 4 4.610 1.537 -0.212 1.00 0.00 C HETATM 95 CG FGA A 4 4.395 1.835 1.285 1.00 0.00 C HETATM 96 CD FGA A 4 5.113 0.812 2.217 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.903 0.008 1.731 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.759 2.838 1.506 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.327 1.829 1.502 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.202 0.545 -0.405 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.686 1.477 -0.377 1.00 0.00 H new HETATM 0 HA FGA A 4 4.380 1.930 -2.161 1.00 0.00 H new HETATM 104 N MDH A 5 4.840 0.849 3.609 1.00 0.00 N HETATM 105 CM MDH A 5 5.404 -0.254 4.398 1.00 0.00 C HETATM 106 CA MDH A 5 3.807 1.667 4.160 1.00 0.00 C HETATM 107 C MDH A 5 2.463 1.041 4.459 1.00 0.00 C HETATM 108 O MDH A 5 1.900 1.239 5.531 1.00 0.00 O HETATM 109 CB MDH A 5 4.016 2.990 4.411 1.00 0.00 C HETATM 110 CG MDH A 5 5.273 3.800 4.215 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.843 0.141 5.314 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.615 -0.962 4.650 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.174 -0.761 3.816 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.075 3.380 4.822 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.562 3.775 3.164 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.092 4.832 4.517 1.00 0.00 H new HETATM 0 HB MDH A 5 3.160 3.536 4.807 1.00 0.00 H new TER 118 MDH A 5