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 -0.397 0.370 3.006 1.00 0.00 C HETATM 2 O ACB A 1 -0.669 0.186 1.816 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.879 1.197 3.788 1.00 0.00 O HETATM 4 CA ACB A 1 0.733 -0.549 3.601 1.00 0.00 C HETATM 5 N ACB A 1 1.956 0.249 3.410 1.00 0.00 N HETATM 6 CB ACB A 1 0.730 -1.981 2.961 1.00 0.00 C HETATM 7 CG ACB A 1 1.424 -2.046 1.592 1.00 0.00 C HETATM 8 C4 ACB A 1 1.322 -3.115 3.820 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.645 -1.911 1.493 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.342 -2.153 2.866 1.00 0.00 H new HETATM 0 HA ACB A 1 0.606 -0.794 4.655 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.364 -2.892 4.049 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.757 -3.201 4.748 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.264 -4.055 3.271 1.00 0.00 H new ATOM 16 N ARG A 2 0.611 -2.307 0.502 1.00 0.00 N ATOM 17 CA ARG A 2 1.112 -2.380 -0.872 1.00 0.00 C ATOM 18 C ARG A 2 0.191 -1.422 -1.672 1.00 0.00 C ATOM 19 O ARG A 2 -0.470 -1.823 -2.628 1.00 0.00 O ATOM 20 CB ARG A 2 1.134 -3.814 -1.429 1.00 0.00 C ATOM 21 CG ARG A 2 2.127 -4.756 -0.719 1.00 0.00 C ATOM 22 CD ARG A 2 2.210 -6.178 -1.321 1.00 0.00 C ATOM 23 NE ARG A 2 0.971 -6.989 -1.190 1.00 0.00 N ATOM 24 CZ ARG A 2 0.001 -7.188 -2.180 1.00 0.00 C ATOM 25 NH1 ARG A 2 0.122 -6.600 -3.472 1.00 0.00 N ATOM 26 NH2 ARG A 2 -1.132 -7.994 -1.888 1.00 0.00 N ATOM 0 HA ARG A 2 2.158 -2.080 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.132 -4.236 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.383 -3.775 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.119 -4.305 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.844 -4.836 0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.462 -6.095 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.029 -6.713 -0.840 1.00 0.00 H new ATOM 0 HE ARG A 2 0.812 -7.445 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.930 -6.018 -3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.599 -6.761 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.231 -8.419 -0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.846 -8.147 -2.600 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.202 -0.100 -1.250 1.00 0.00 N HETATM 41 C2 MFD A 3 0.211 2.323 -1.827 1.00 0.00 C HETATM 42 C1 MFD A 3 1.704 2.181 -2.153 1.00 0.00 C HETATM 43 O1 MFD A 3 2.067 1.650 -3.203 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.503 0.964 -1.977 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.351 3.435 -2.738 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.416 0.572 -2.544 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.443 1.050 -1.736 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.052 0.914 -2.280 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.946 1.088 -1.525 1.00 0.00 C HETATM 50 C' MFD A 3 -7.282 2.671 -3.777 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.400 1.141 -3.882 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.925 0.534 -2.527 1.00 0.00 C HETATM 53 C4' MFD A 3 -8.382 4.745 -7.426 1.00 0.00 C HETATM 54 C3' MFD A 3 -7.035 4.568 -7.092 1.00 0.00 C HETATM 55 C2' MFD A 3 -6.690 3.901 -5.916 1.00 0.00 C HETATM 56 C1' MFD A 3 -7.666 3.398 -5.052 1.00 0.00 C HETATM 57 C6' MFD A 3 -9.009 3.585 -5.397 1.00 0.00 C HETATM 58 C5' MFD A 3 -9.371 4.249 -6.569 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.747 0.694 -5.088 1.00 0.00 O HETATM 60 CM9 MFD A 3 -7.145 -0.593 -5.530 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.685 1.071 -1.276 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.800 1.757 -0.444 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.054 0.114 -0.732 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -6.921 -1.328 -4.757 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.216 -0.593 -5.731 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -6.604 -0.848 -6.442 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.389 0.498 -0.397 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.439 2.122 -1.124 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.759 0.969 -1.431 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.408 2.634 -0.665 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.362 1.079 0.199 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.888 2.067 0.065 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.175 4.369 -2.539 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.212 3.155 -3.782 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.414 3.568 -2.537 1.00 0.00 H new HETATM 0 H9 MFD A 3 -8.421 0.779 -4.006 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.211 -0.512 -2.419 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.007 0.092 -3.433 1.00 0.00 H new HETATM 0 H6' MFD A 3 -9.788 3.204 -4.737 1.00 0.00 H new HETATM 0 H5' MFD A 3 -10.424 4.382 -6.817 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.928 0.663 -3.333 1.00 0.00 H new HETATM 0 H4' MFD A 3 -8.658 5.264 -8.344 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.107 1.345 -0.478 1.00 0.00 H new HETATM 0 H3' MFD A 3 -6.255 4.951 -7.750 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.493 0.682 -3.030 1.00 0.00 H new HETATM 0 H2' MFD A 3 -5.637 3.770 -5.666 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.043 2.615 -0.790 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -7.917 3.021 -2.963 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -6.256 2.931 -3.515 1.00 0.00 H new HETATM 90 N FGA A 4 2.585 2.668 -1.200 1.00 0.00 N HETATM 91 CA FGA A 4 4.043 2.478 -1.288 1.00 0.00 C HETATM 92 C FGA A 4 4.574 3.951 -1.360 1.00 0.00 C HETATM 93 O FGA A 4 4.975 4.453 -0.307 1.00 0.00 O HETATM 94 CB FGA A 4 4.617 1.537 -0.209 1.00 0.00 C HETATM 95 CG FGA A 4 4.403 1.844 1.287 1.00 0.00 C HETATM 96 CD FGA A 4 5.120 0.824 2.223 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.916 0.023 1.742 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.769 2.848 1.503 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.335 1.841 1.504 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.208 0.544 -0.396 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.693 1.475 -0.375 1.00 0.00 H new HETATM 0 HA FGA A 4 4.384 1.918 -2.159 1.00 0.00 H new HETATM 104 N MDH A 5 4.837 0.859 3.614 1.00 0.00 N HETATM 105 CM MDH A 5 5.396 -0.247 4.402 1.00 0.00 C HETATM 106 CA MDH A 5 3.800 1.675 4.159 1.00 0.00 C HETATM 107 C MDH A 5 2.459 1.043 4.459 1.00 0.00 C HETATM 108 O MDH A 5 1.898 1.233 5.532 1.00 0.00 O HETATM 109 CB MDH A 5 4.000 3.001 4.401 1.00 0.00 C HETATM 110 CG MDH A 5 5.253 3.817 4.200 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.828 0.144 5.323 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.605 -0.957 4.645 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.170 -0.751 3.824 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.057 3.406 4.810 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.543 3.786 3.150 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.066 4.850 4.495 1.00 0.00 H new HETATM 0 HB MDH A 5 3.140 3.545 4.792 1.00 0.00 H new TER 118 MDH A 5