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 -0.419 0.367 3.002 1.00 0.00 C HETATM 2 O ACB A 1 -0.893 1.206 3.776 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.704 0.163 1.818 1.00 0.00 O HETATM 4 CA ACB A 1 0.718 -0.541 3.601 1.00 0.00 C HETATM 5 N ACB A 1 1.938 0.261 3.400 1.00 0.00 N HETATM 6 CB ACB A 1 0.724 -1.979 2.972 1.00 0.00 C HETATM 7 CG ACB A 1 1.428 -2.052 1.609 1.00 0.00 C HETATM 8 C4 ACB A 1 1.316 -3.100 3.847 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.651 -1.926 1.519 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.346 -2.159 2.868 1.00 0.00 H new HETATM 0 HA ACB A 1 0.592 -0.777 4.658 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.355 -2.869 4.080 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.746 -3.179 4.772 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.266 -4.046 3.309 1.00 0.00 H new ATOM 16 N ARG A 2 0.622 -2.306 0.513 1.00 0.00 N ATOM 17 CA ARG A 2 1.131 -2.378 -0.857 1.00 0.00 C ATOM 18 C ARG A 2 0.209 -1.424 -1.658 1.00 0.00 C ATOM 19 O ARG A 2 -0.461 -1.829 -2.607 1.00 0.00 O ATOM 20 CB ARG A 2 1.162 -3.812 -1.412 1.00 0.00 C ATOM 21 CG ARG A 2 2.154 -4.750 -0.696 1.00 0.00 C ATOM 22 CD ARG A 2 2.207 -6.157 -1.313 1.00 0.00 C ATOM 23 NE ARG A 2 3.133 -7.098 -0.633 1.00 0.00 N ATOM 24 CZ ARG A 2 4.520 -7.155 -0.814 1.00 0.00 C ATOM 25 NH1 ARG A 2 5.188 -6.274 -1.713 1.00 0.00 N ATOM 26 NH2 ARG A 2 5.278 -8.110 -0.086 1.00 0.00 N ATOM 0 HA ARG A 2 2.176 -2.075 -0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.161 -4.238 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.417 -3.773 -2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.150 -4.308 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.875 -4.831 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.204 -6.583 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.503 -6.070 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 2 2.722 -7.761 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.654 -5.583 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.200 -6.334 -1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.811 -8.746 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.289 -8.160 -0.210 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.228 -0.099 -1.244 1.00 0.00 N HETATM 41 C2 MFD A 3 0.210 2.327 -1.824 1.00 0.00 C HETATM 42 C1 MFD A 3 1.704 2.194 -2.151 1.00 0.00 C HETATM 43 O1 MFD A 3 2.068 1.661 -3.201 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.492 0.960 -1.963 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.364 3.426 -2.742 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.406 0.350 -2.295 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.411 0.961 -1.610 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.047 0.868 -2.219 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.929 1.068 -1.490 1.00 0.00 C HETATM 50 C' MFD A 3 -6.504 -1.705 -0.315 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.188 -1.267 -1.650 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.878 0.230 -1.939 1.00 0.00 C HETATM 53 C4' MFD A 3 -8.931 -1.250 3.272 1.00 0.00 C HETATM 54 C3' MFD A 3 -8.249 -0.150 2.742 1.00 0.00 C HETATM 55 C2' MFD A 3 -7.471 -0.296 1.593 1.00 0.00 C HETATM 56 C1' MFD A 3 -7.355 -1.527 0.939 1.00 0.00 C HETATM 57 C6' MFD A 3 -8.034 -2.620 1.492 1.00 0.00 C HETATM 58 C5' MFD A 3 -8.816 -2.492 2.639 1.00 0.00 C HETATM 59 O9 MFD A 3 -8.605 -1.443 -1.623 1.00 0.00 O HETATM 60 CM9 MFD A 3 -9.002 -2.759 -1.958 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.714 0.892 -3.062 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.711 1.682 -0.305 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.084 0.121 -0.735 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -8.657 -2.998 -2.964 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.567 -3.462 -1.248 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -10.089 -2.832 -1.920 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.438 1.943 -3.149 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.519 0.386 -4.007 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.774 0.814 -2.821 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.431 2.480 -0.487 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.127 0.976 0.414 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.791 2.107 0.095 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.154 4.366 -2.552 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.225 3.139 -3.784 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.428 3.551 -2.539 1.00 0.00 H new HETATM 0 H9 MFD A 3 -6.782 -1.905 -2.435 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.148 0.766 -1.029 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.110 -0.121 -3.232 1.00 0.00 H new HETATM 0 H6' MFD A 3 -7.949 -3.596 1.013 1.00 0.00 H new HETATM 0 H5' MFD A 3 -9.338 -3.360 3.043 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.954 0.633 -3.279 1.00 0.00 H new HETATM 0 H4' MFD A 3 -9.544 -1.141 4.167 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.075 1.337 -0.444 1.00 0.00 H new HETATM 0 H3' MFD A 3 -8.325 0.823 3.227 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.489 0.681 -3.017 1.00 0.00 H new HETATM 0 H2' MFD A 3 -6.941 0.570 1.196 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.042 2.627 -0.790 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.222 -2.755 -0.397 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.583 -1.136 -0.193 1.00 0.00 H new HETATM 90 N FGA A 4 2.586 2.688 -1.203 1.00 0.00 N HETATM 91 CA FGA A 4 4.042 2.497 -1.292 1.00 0.00 C HETATM 92 C FGA A 4 4.575 3.970 -1.344 1.00 0.00 C HETATM 93 O FGA A 4 4.972 4.460 -0.284 1.00 0.00 O HETATM 94 CB FGA A 4 4.608 1.540 -0.221 1.00 0.00 C HETATM 95 CG FGA A 4 4.395 1.835 1.277 1.00 0.00 C HETATM 96 CD FGA A 4 5.101 0.799 2.204 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.881 -0.012 1.714 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.771 2.833 1.503 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.327 1.840 1.493 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.191 0.553 -0.418 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.683 1.470 -0.386 1.00 0.00 H new HETATM 0 HA FGA A 4 4.386 1.950 -2.169 1.00 0.00 H new HETATM 104 N MDH A 5 4.827 0.833 3.596 1.00 0.00 N HETATM 105 CM MDH A 5 5.376 -0.284 4.377 1.00 0.00 C HETATM 106 CA MDH A 5 3.802 1.659 4.150 1.00 0.00 C HETATM 107 C MDH A 5 2.454 1.043 4.451 1.00 0.00 C HETATM 108 O MDH A 5 1.899 1.235 5.528 1.00 0.00 O HETATM 109 CB MDH A 5 4.022 2.980 4.405 1.00 0.00 C HETATM 110 CG MDH A 5 5.285 3.780 4.209 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.817 0.098 5.298 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.578 -0.985 4.620 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.142 -0.795 3.793 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.085 3.351 4.813 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.571 3.756 3.158 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.113 4.812 4.515 1.00 0.00 H new HETATM 0 HB MDH A 5 3.171 3.532 4.804 1.00 0.00 H new TER 118 MDH A 5