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 -0.474 0.334 2.997 1.00 0.00 C HETATM 2 O ACB A 1 -0.930 1.203 3.750 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.795 0.076 1.834 1.00 0.00 O HETATM 4 CA ACB A 1 0.686 -0.539 3.603 1.00 0.00 C HETATM 5 N ACB A 1 1.890 0.281 3.379 1.00 0.00 N HETATM 6 CB ACB A 1 0.726 -1.990 3.004 1.00 0.00 C HETATM 7 CG ACB A 1 1.448 -2.069 1.650 1.00 0.00 C HETATM 8 C4 ACB A 1 1.332 -3.075 3.914 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.675 -1.967 1.582 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.337 -2.203 2.889 1.00 0.00 H new HETATM 0 HA ACB A 1 0.565 -0.755 4.664 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.364 -2.816 4.152 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.753 -3.142 4.835 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.309 -4.036 3.400 1.00 0.00 H new ATOM 16 N ARG A 2 0.655 -2.297 0.540 1.00 0.00 N ATOM 17 CA ARG A 2 1.185 -2.360 -0.822 1.00 0.00 C ATOM 18 C ARG A 2 0.254 -1.412 -1.621 1.00 0.00 C ATOM 19 O ARG A 2 -0.433 -1.824 -2.554 1.00 0.00 O ATOM 20 CB ARG A 2 1.220 -3.794 -1.383 1.00 0.00 C ATOM 21 CG ARG A 2 2.161 -4.792 -0.671 1.00 0.00 C ATOM 22 CD ARG A 2 3.665 -4.531 -0.864 1.00 0.00 C ATOM 23 NE ARG A 2 4.553 -5.456 -0.115 1.00 0.00 N ATOM 24 CZ ARG A 2 4.927 -6.742 -0.522 1.00 0.00 C ATOM 25 NH1 ARG A 2 4.462 -7.296 -1.749 1.00 0.00 N ATOM 26 NH2 ARG A 2 5.788 -7.510 0.307 1.00 0.00 N ATOM 0 HA ARG A 2 2.229 -2.053 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.208 -4.197 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.509 -3.742 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.940 -4.776 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.935 -5.797 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.900 -4.603 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.885 -3.508 -0.557 1.00 0.00 H new ATOM 0 HE ARG A 2 4.924 -5.125 0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.843 -6.753 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.748 -8.235 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.127 -7.123 1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.068 -8.448 0.021 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.287 -0.082 -1.224 1.00 0.00 N HETATM 41 C2 MFD A 3 0.205 2.347 -1.818 1.00 0.00 C HETATM 42 C1 MFD A 3 1.697 2.235 -2.161 1.00 0.00 C HETATM 43 O1 MFD A 3 2.053 1.711 -3.217 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.468 0.963 -1.928 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.406 3.417 -2.746 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.111 -0.383 -1.702 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.328 0.674 -1.382 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.015 0.723 -2.091 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.892 1.033 -1.414 1.00 0.00 C HETATM 50 C' MFD A 3 -5.011 -2.184 0.604 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.191 -2.230 -0.404 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.421 -0.832 -1.083 1.00 0.00 C HETATM 53 C4' MFD A 3 -4.233 -6.025 2.472 1.00 0.00 C HETATM 54 C3' MFD A 3 -3.874 -5.799 1.139 1.00 0.00 C HETATM 55 C2' MFD A 3 -4.131 -4.562 0.548 1.00 0.00 C HETATM 56 C1' MFD A 3 -4.750 -3.528 1.260 1.00 0.00 C HETATM 57 C6' MFD A 3 -5.095 -3.767 2.594 1.00 0.00 C HETATM 58 C5' MFD A 3 -4.845 -4.998 3.199 1.00 0.00 C HETATM 59 O9 MFD A 3 -7.394 -2.827 0.103 1.00 0.00 O HETATM 60 CM9 MFD A 3 -8.080 -2.136 1.135 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.539 -0.774 -2.155 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.736 1.677 -0.311 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.152 0.154 -0.738 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -7.424 -2.028 1.999 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.375 -1.149 0.778 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -8.968 -2.699 1.422 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.639 0.248 -2.521 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.282 -1.433 -2.984 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.483 -1.096 -1.714 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.679 2.146 -0.592 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.856 1.163 0.642 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.965 2.442 -0.216 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.095 4.371 -2.581 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.276 3.114 -3.785 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.469 3.523 -2.529 1.00 0.00 H new HETATM 0 H9 MFD A 3 -5.883 -2.922 -1.188 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.765 -0.170 -0.288 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.748 -1.001 -2.523 1.00 0.00 H new HETATM 0 H6' MFD A 3 -5.569 -2.974 3.173 1.00 0.00 H new HETATM 0 H5' MFD A 3 -5.127 -5.161 4.239 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.965 0.508 -3.158 1.00 0.00 H new HETATM 0 H4' MFD A 3 -4.038 -6.990 2.939 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.022 1.371 -0.386 1.00 0.00 H new HETATM 0 H3' MFD A 3 -3.394 -6.589 0.562 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.481 0.688 -2.983 1.00 0.00 H new HETATM 0 H2' MFD A 3 -3.844 -4.397 -0.490 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.044 2.665 -0.788 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -4.109 -1.855 0.087 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.225 -1.443 1.375 1.00 0.00 H new HETATM 90 N FGA A 4 2.587 2.726 -1.218 1.00 0.00 N HETATM 91 CA FGA A 4 4.040 2.508 -1.309 1.00 0.00 C HETATM 92 C FGA A 4 4.599 3.972 -1.341 1.00 0.00 C HETATM 93 O FGA A 4 4.997 4.444 -0.273 1.00 0.00 O HETATM 94 CB FGA A 4 4.583 1.525 -0.250 1.00 0.00 C HETATM 95 CG FGA A 4 4.379 1.810 1.251 1.00 0.00 C HETATM 96 CD FGA A 4 5.061 0.750 2.168 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.816 -0.080 1.670 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.778 2.797 1.486 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.311 1.838 1.468 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.140 0.551 -0.457 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.656 1.430 -0.418 1.00 0.00 H new HETATM 0 HA FGA A 4 4.378 1.967 -2.193 1.00 0.00 H new HETATM 104 N MDH A 5 4.795 0.785 3.562 1.00 0.00 N HETATM 105 CM MDH A 5 5.316 -0.350 4.334 1.00 0.00 C HETATM 106 CA MDH A 5 3.791 1.633 4.122 1.00 0.00 C HETATM 107 C MDH A 5 2.434 1.043 4.432 1.00 0.00 C HETATM 108 O MDH A 5 1.897 1.235 5.517 1.00 0.00 O HETATM 109 CB MDH A 5 4.039 2.949 4.373 1.00 0.00 C HETATM 110 CG MDH A 5 5.317 3.724 4.169 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.766 0.014 5.257 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.500 -1.033 4.573 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.068 -0.875 3.746 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.111 3.280 4.769 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.597 3.693 3.116 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.167 4.760 4.474 1.00 0.00 H new HETATM 0 HB MDH A 5 3.201 3.518 4.775 1.00 0.00 H new TER 118 MDH A 5