USER MOD reduce.3.24.130724 H: found=0, std=0, add=57, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 59 hydrogens (46 hets) HETATM 1 C ACB A 1 -0.426 0.387 2.942 1.00 0.00 C HETATM 2 O ACB A 1 -0.880 1.265 3.684 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.728 0.137 1.772 1.00 0.00 O HETATM 4 CA ACB A 1 0.704 -0.509 3.572 1.00 0.00 C HETATM 5 N ACB A 1 1.936 0.273 3.366 1.00 0.00 N HETATM 6 CB ACB A 1 0.710 -1.964 2.999 1.00 0.00 C HETATM 7 CG ACB A 1 1.380 -2.083 1.622 1.00 0.00 C HETATM 8 C4 ACB A 1 1.321 -3.048 3.906 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.605 -2.029 1.504 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.360 -2.156 2.923 1.00 0.00 H new HETATM 0 HA ACB A 1 0.561 -0.708 4.634 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.362 -2.803 4.115 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.764 -3.096 4.842 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.270 -4.014 3.404 1.00 0.00 H new ATOM 16 N ARG A 2 0.534 -2.309 0.552 1.00 0.00 N ATOM 17 CA ARG A 2 0.994 -2.511 -0.823 1.00 0.00 C ATOM 18 C ARG A 2 0.158 -1.499 -1.648 1.00 0.00 C ATOM 19 O ARG A 2 -0.598 -1.877 -2.541 1.00 0.00 O ATOM 20 CB ARG A 2 0.831 -3.968 -1.292 1.00 0.00 C ATOM 21 CG ARG A 2 1.698 -4.994 -0.536 1.00 0.00 C ATOM 22 CD ARG A 2 1.452 -6.439 -1.001 1.00 0.00 C ATOM 23 NE ARG A 2 2.261 -7.469 -0.302 1.00 0.00 N ATOM 24 CZ ARG A 2 3.561 -7.859 -0.643 1.00 0.00 C ATOM 25 NH1 ARG A 2 4.261 -7.245 -1.722 1.00 0.00 N ATOM 26 NH2 ARG A 2 4.196 -8.890 0.100 1.00 0.00 N ATOM 0 HA ARG A 2 2.064 -2.337 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.216 -4.253 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.073 -4.022 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.750 -4.746 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.492 -4.921 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.396 -6.674 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.657 -6.501 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 2 1.831 -7.934 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.815 -6.505 -2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.208 -7.546 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.705 -9.338 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.143 -9.182 -0.140 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.344 -0.162 -1.316 1.00 0.00 N HETATM 41 C2 MFD A 3 0.236 2.299 -1.793 1.00 0.00 C HETATM 42 C1 MFD A 3 1.736 2.247 -2.114 1.00 0.00 C HETATM 43 O1 MFD A 3 2.126 1.733 -3.164 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.409 0.910 -1.982 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.381 3.408 -2.669 1.00 0.00 C HETATM 46 C7 MFD A 3 -4.757 -0.770 -1.332 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.202 0.464 -1.301 1.00 0.00 C HETATM 48 C5 MFD A 3 -2.959 0.608 -2.108 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.829 0.945 -1.460 1.00 0.00 C HETATM 50 C' MFD A 3 -3.952 -1.846 1.276 1.00 0.00 C HETATM 51 C9 MFD A 3 -5.183 -2.413 0.507 1.00 0.00 C HETATM 52 C8 MFD A 3 -5.832 -1.333 -0.425 1.00 0.00 C HETATM 53 C4' MFD A 3 -1.925 -4.891 3.613 1.00 0.00 C HETATM 54 C3' MFD A 3 -1.857 -4.910 2.215 1.00 0.00 C HETATM 55 C2' MFD A 3 -2.509 -3.926 1.473 1.00 0.00 C HETATM 56 C1' MFD A 3 -3.246 -2.911 2.096 1.00 0.00 C HETATM 57 C6' MFD A 3 -3.297 -2.901 3.493 1.00 0.00 C HETATM 58 C5' MFD A 3 -2.649 -3.877 4.250 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.205 -2.846 1.419 1.00 0.00 O HETATM 60 CM9 MFD A 3 -6.331 -4.246 1.600 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.037 -1.815 -1.274 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.691 1.528 -0.330 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.196 0.058 -0.800 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -6.562 -4.717 0.645 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -5.394 -4.649 1.986 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -7.133 -4.450 2.309 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.444 -0.975 -1.837 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -6.708 -2.590 -1.966 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -7.807 -2.219 -0.617 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.745 1.733 -0.516 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.566 1.173 0.693 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -4.113 2.442 -0.470 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.093 4.361 -2.437 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.223 3.171 -3.721 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.450 3.477 -2.469 1.00 0.00 H new HETATM 0 H9 MFD A 3 -4.810 -3.248 -0.086 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.250 -0.576 0.239 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.384 -1.442 -2.105 1.00 0.00 H new HETATM 0 H6' MFD A 3 -3.855 -2.114 4.001 1.00 0.00 H new HETATM 0 H5' MFD A 3 -2.707 -3.850 5.338 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.964 0.446 -3.186 1.00 0.00 H new HETATM 0 H4' MFD A 3 -1.419 -5.658 4.199 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.952 1.285 -0.432 1.00 0.00 H new HETATM 0 H3' MFD A 3 -1.295 -5.693 1.707 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.400 0.685 -3.049 1.00 0.00 H new HETATM 0 H2' MFD A 3 -2.444 -3.947 0.385 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.051 2.549 -0.748 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -3.249 -1.413 0.564 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -4.277 -1.040 1.934 1.00 0.00 H new HETATM 90 N FGA A 4 2.596 2.787 -1.170 1.00 0.00 N HETATM 91 CA FGA A 4 4.057 2.639 -1.254 1.00 0.00 C HETATM 92 C FGA A 4 4.544 4.128 -1.208 1.00 0.00 C HETATM 93 O FGA A 4 4.922 4.560 -0.117 1.00 0.00 O HETATM 94 CB FGA A 4 4.622 1.635 -0.229 1.00 0.00 C HETATM 95 CG FGA A 4 4.400 1.866 1.278 1.00 0.00 C HETATM 96 CD FGA A 4 5.099 0.794 2.166 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.864 -0.014 1.648 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.774 2.854 1.548 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.330 1.862 1.487 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.208 0.656 -0.471 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.698 1.575 -0.393 1.00 0.00 H new HETATM 0 HA FGA A 4 4.437 2.159 -2.156 1.00 0.00 H new HETATM 0 H FGA A 4 2.181 3.716 -1.103 1.00 0.00 H new HETATM 104 N MDH A 5 4.837 0.795 3.560 1.00 0.00 N HETATM 105 CM MDH A 5 5.389 -0.337 4.314 1.00 0.00 C HETATM 106 CA MDH A 5 3.829 1.624 4.142 1.00 0.00 C HETATM 107 C MDH A 5 2.471 1.026 4.430 1.00 0.00 C HETATM 108 O MDH A 5 1.923 1.207 5.512 1.00 0.00 O HETATM 109 CB MDH A 5 4.076 2.930 4.442 1.00 0.00 C HETATM 110 CG MDH A 5 5.356 3.711 4.274 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.849 0.027 5.232 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.589 -1.034 4.561 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.140 -0.846 3.709 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.146 3.245 4.863 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.643 3.717 3.222 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.205 4.735 4.615 1.00 0.00 H new HETATM 0 HB MDH A 5 3.236 3.485 4.859 1.00 0.00 H new TER 118 MDH A 5