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 -0.444 0.319 3.020 1.00 0.00 C HETATM 2 O ACB A 1 -0.923 1.149 3.800 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.747 0.103 1.843 1.00 0.00 O HETATM 4 CA ACB A 1 0.722 -0.562 3.603 1.00 0.00 C HETATM 5 N ACB A 1 1.926 0.261 3.388 1.00 0.00 N HETATM 6 CB ACB A 1 0.749 -2.000 2.984 1.00 0.00 C HETATM 7 CG ACB A 1 1.417 -2.071 1.603 1.00 0.00 C HETATM 8 C4 ACB A 1 1.380 -3.101 3.857 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.639 -1.972 1.482 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.319 -2.203 2.903 1.00 0.00 H new HETATM 0 HA ACB A 1 0.614 -0.794 4.662 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.418 -2.845 4.071 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.827 -3.186 4.792 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.343 -4.052 3.326 1.00 0.00 H new ATOM 16 N ARG A 2 0.575 -2.306 0.531 1.00 0.00 N ATOM 17 CA ARG A 2 1.032 -2.459 -0.852 1.00 0.00 C ATOM 18 C ARG A 2 0.167 -1.448 -1.646 1.00 0.00 C ATOM 19 O ARG A 2 -0.575 -1.822 -2.552 1.00 0.00 O ATOM 20 CB ARG A 2 0.903 -3.902 -1.372 1.00 0.00 C ATOM 21 CG ARG A 2 1.807 -4.930 -0.663 1.00 0.00 C ATOM 22 CD ARG A 2 1.622 -6.377 -1.173 1.00 0.00 C ATOM 23 NE ARG A 2 1.965 -6.577 -2.605 1.00 0.00 N ATOM 24 CZ ARG A 2 1.835 -7.780 -3.306 1.00 0.00 C ATOM 25 NH1 ARG A 2 1.358 -8.960 -2.667 1.00 0.00 N ATOM 26 NH2 ARG A 2 2.184 -7.826 -4.682 1.00 0.00 N ATOM 0 HA ARG A 2 2.098 -2.257 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.135 -4.219 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.133 -3.911 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.849 -4.638 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.603 -4.903 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.238 -7.043 -0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.585 -6.674 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 2 2.324 -5.772 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.104 -8.938 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.271 -9.827 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.526 -6.987 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.093 -8.699 -5.202 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.312 -0.116 -1.277 1.00 0.00 N HETATM 41 C2 MFD A 3 0.221 2.338 -1.813 1.00 0.00 C HETATM 42 C1 MFD A 3 1.715 2.241 -2.151 1.00 0.00 C HETATM 43 O1 MFD A 3 2.076 1.726 -3.211 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.445 0.951 -1.945 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.394 3.415 -2.730 1.00 0.00 C HETATM 46 C7 MFD A 3 -4.769 -0.757 -1.256 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.227 0.482 -1.210 1.00 0.00 C HETATM 48 C5 MFD A 3 -2.992 0.648 -2.029 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.856 0.998 -1.397 1.00 0.00 C HETATM 50 C' MFD A 3 -3.962 -1.979 1.298 1.00 0.00 C HETATM 51 C9 MFD A 3 -5.158 -2.514 0.466 1.00 0.00 C HETATM 52 C8 MFD A 3 -5.839 -1.370 -0.372 1.00 0.00 C HETATM 53 C4' MFD A 3 -1.748 -5.166 3.246 1.00 0.00 C HETATM 54 C3' MFD A 3 -2.527 -4.283 4.003 1.00 0.00 C HETATM 55 C2' MFD A 3 -3.237 -3.261 3.371 1.00 0.00 C HETATM 56 C1' MFD A 3 -3.196 -3.096 1.984 1.00 0.00 C HETATM 57 C6' MFD A 3 -2.407 -3.983 1.242 1.00 0.00 C HETATM 58 C5' MFD A 3 -1.691 -5.009 1.857 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.085 -3.327 1.200 1.00 0.00 O HETATM 60 CM9 MFD A 3 -6.802 -2.705 2.254 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.044 -1.797 -1.248 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.718 1.534 -0.228 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.182 0.103 -0.792 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -6.100 -2.324 2.996 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -7.392 -1.880 1.855 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -7.465 -3.433 2.722 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.449 -0.924 -1.759 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -6.716 -2.530 -1.985 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -7.815 -2.238 -0.616 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.774 1.735 -0.408 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.586 1.170 0.791 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -4.146 2.452 -0.362 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.099 4.370 -2.551 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.258 3.126 -3.772 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.459 3.510 -2.516 1.00 0.00 H new HETATM 0 H9 MFD A 3 -4.730 -3.216 -0.249 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.261 -0.669 0.348 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.382 -1.408 -2.040 1.00 0.00 H new HETATM 0 H6' MFD A 3 -2.351 -3.869 0.159 1.00 0.00 H new HETATM 0 H5' MFD A 3 -1.087 -5.689 1.256 1.00 0.00 H new HETATM 0 H5 MFD A 3 -3.009 0.491 -3.107 1.00 0.00 H new HETATM 0 H4' MFD A 3 -1.192 -5.967 3.733 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.964 1.356 -0.373 1.00 0.00 H new HETATM 0 H3' MFD A 3 -2.579 -4.394 5.086 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.463 0.712 -3.008 1.00 0.00 H new HETATM 0 H2' MFD A 3 -3.836 -2.577 3.972 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.056 2.640 -0.779 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -3.287 -1.425 0.646 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -4.328 -1.278 2.048 1.00 0.00 H new HETATM 90 N FGA A 4 2.602 2.732 -1.205 1.00 0.00 N HETATM 91 CA FGA A 4 4.056 2.521 -1.296 1.00 0.00 C HETATM 92 C FGA A 4 4.606 3.987 -1.352 1.00 0.00 C HETATM 93 O FGA A 4 4.565 4.504 -2.476 1.00 0.00 O HETATM 94 CB FGA A 4 4.610 1.557 -0.225 1.00 0.00 C HETATM 95 CG FGA A 4 4.406 1.857 1.274 1.00 0.00 C HETATM 96 CD FGA A 4 5.108 0.821 2.202 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.893 0.013 1.715 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.789 2.853 1.495 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.339 1.870 1.495 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.177 0.576 -0.419 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.683 1.471 -0.393 1.00 0.00 H new HETATM 0 HA FGA A 4 4.394 1.968 -2.172 1.00 0.00 H new HETATM 104 N MDH A 5 4.825 0.850 3.593 1.00 0.00 N HETATM 105 CM MDH A 5 5.378 -0.263 4.376 1.00 0.00 C HETATM 106 CA MDH A 5 3.787 1.663 4.141 1.00 0.00 C HETATM 107 C MDH A 5 2.451 1.026 4.448 1.00 0.00 C HETATM 108 O MDH A 5 1.913 1.190 5.538 1.00 0.00 O HETATM 109 CB MDH A 5 3.982 2.988 4.389 1.00 0.00 C HETATM 110 CG MDH A 5 5.229 3.812 4.190 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.806 0.121 5.302 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.585 -0.973 4.610 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.154 -0.764 3.798 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.037 3.402 4.796 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.517 3.789 3.139 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.036 4.842 4.491 1.00 0.00 H new HETATM 0 HB MDH A 5 3.120 3.525 4.785 1.00 0.00 H new TER 118 MDH A 5