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 -0.581 0.085 3.114 1.00 0.00 C HETATM 2 O ACB A 1 -1.083 0.872 3.924 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.931 -0.157 1.955 1.00 0.00 O HETATM 4 CA ACB A 1 0.687 -0.694 3.627 1.00 0.00 C HETATM 5 N ACB A 1 1.797 0.239 3.355 1.00 0.00 N HETATM 6 CB ACB A 1 0.823 -2.122 2.970 1.00 0.00 C HETATM 7 CG ACB A 1 1.558 -2.087 1.621 1.00 0.00 C HETATM 8 C4 ACB A 1 1.497 -3.195 3.845 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.774 -1.900 1.574 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.219 -2.412 2.836 1.00 0.00 H new HETATM 0 HA ACB A 1 0.649 -0.948 4.686 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.508 -2.876 4.097 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.921 -3.333 4.760 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.539 -4.137 3.298 1.00 0.00 H new ATOM 16 N ARG A 2 0.788 -2.294 0.489 1.00 0.00 N ATOM 17 CA ARG A 2 1.314 -2.155 -0.868 1.00 0.00 C ATOM 18 C ARG A 2 0.271 -1.255 -1.580 1.00 0.00 C ATOM 19 O ARG A 2 -0.361 -1.658 -2.555 1.00 0.00 O ATOM 20 CB ARG A 2 1.541 -3.501 -1.579 1.00 0.00 C ATOM 21 CG ARG A 2 2.711 -4.363 -1.052 1.00 0.00 C ATOM 22 CD ARG A 2 4.113 -3.716 -1.142 1.00 0.00 C ATOM 23 NE ARG A 2 4.500 -3.261 -2.502 1.00 0.00 N ATOM 24 CZ ARG A 2 5.495 -2.322 -2.792 1.00 0.00 C ATOM 25 NH1 ARG A 2 6.288 -1.741 -1.761 1.00 0.00 N ATOM 26 NH2 ARG A 2 5.721 -1.940 -4.141 1.00 0.00 N ATOM 0 HA ARG A 2 2.312 -1.716 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.624 -4.086 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.710 -3.305 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.513 -4.614 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.727 -5.300 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.149 -2.863 -0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.853 -4.434 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 2 3.998 -3.668 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.135 -2.008 -0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.008 -1.058 -1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.160 -2.350 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.444 -1.256 -4.363 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.150 0.027 -1.061 1.00 0.00 N HETATM 41 C2 MFD A 3 0.219 2.422 -1.738 1.00 0.00 C HETATM 42 C1 MFD A 3 1.668 2.169 -2.176 1.00 0.00 C HETATM 43 O1 MFD A 3 1.911 1.606 -3.244 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.574 1.097 -1.763 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.365 3.520 -2.650 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.455 1.793 -2.056 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.458 1.457 -1.206 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.138 1.191 -1.861 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.967 1.305 -1.199 1.00 0.00 C HETATM 50 C' MFD A 3 -6.096 4.620 -1.956 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.992 3.596 -2.682 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.882 2.259 -1.909 1.00 0.00 C HETATM 53 C4' MFD A 3 -6.799 8.684 -3.297 1.00 0.00 C HETATM 54 C3' MFD A 3 -7.680 8.073 -2.397 1.00 0.00 C HETATM 55 C2' MFD A 3 -7.444 6.766 -1.971 1.00 0.00 C HETATM 56 C1' MFD A 3 -6.338 6.040 -2.425 1.00 0.00 C HETATM 57 C6' MFD A 3 -5.466 6.664 -3.321 1.00 0.00 C HETATM 58 C5' MFD A 3 -5.687 7.971 -3.757 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.587 3.578 -4.066 1.00 0.00 O HETATM 60 CM9 MFD A 3 -7.522 2.989 -4.954 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.538 2.278 -0.495 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.690 1.459 0.293 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.058 0.218 -0.637 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -7.695 1.952 -4.665 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.462 3.539 -4.910 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -7.129 3.022 -5.970 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.540 1.270 -0.081 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -6.970 2.938 0.161 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.563 2.640 -0.574 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -4.977 2.460 0.615 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.486 0.756 0.539 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.774 1.162 0.803 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.225 4.431 -2.547 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.337 3.185 -3.687 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.397 3.722 -2.362 1.00 0.00 H new HETATM 0 H9 MFD A 3 -8.055 3.838 -2.694 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.509 1.477 -2.337 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.154 1.706 -3.100 1.00 0.00 H new HETATM 0 H6' MFD A 3 -4.596 6.119 -3.687 1.00 0.00 H new HETATM 0 H5' MFD A 3 -4.993 8.437 -4.456 1.00 0.00 H new HETATM 0 H5 MFD A 3 -3.122 0.895 -2.910 1.00 0.00 H new HETATM 0 H4' MFD A 3 -6.978 9.705 -3.636 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.029 1.576 -0.145 1.00 0.00 H new HETATM 0 H3' MFD A 3 -8.549 8.618 -2.030 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.679 0.777 -2.800 1.00 0.00 H new HETATM 0 H2' MFD A 3 -8.136 6.300 -1.269 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.159 2.780 -0.710 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -6.277 4.560 -0.883 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.050 4.361 -2.118 1.00 0.00 H new HETATM 90 N FGA A 4 2.652 2.578 -1.288 1.00 0.00 N HETATM 91 CA FGA A 4 4.065 2.180 -1.425 1.00 0.00 C HETATM 92 C FGA A 4 4.779 3.540 -1.732 1.00 0.00 C HETATM 93 O FGA A 4 4.710 3.899 -2.915 1.00 0.00 O HETATM 94 CB FGA A 4 4.583 1.327 -0.247 1.00 0.00 C HETATM 95 CG FGA A 4 4.501 1.858 1.202 1.00 0.00 C HETATM 96 CD FGA A 4 5.124 0.872 2.230 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.989 0.089 1.846 1.00 0.00 O HETATM 0 HG3 FGA A 4 5.015 2.817 1.264 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.458 2.038 1.462 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.043 0.380 -0.274 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.630 1.103 -0.449 1.00 0.00 H new HETATM 0 HA FGA A 4 4.268 1.469 -2.226 1.00 0.00 H new HETATM 104 N MDH A 5 4.697 0.912 3.585 1.00 0.00 N HETATM 105 CM MDH A 5 5.194 -0.184 4.429 1.00 0.00 C HETATM 106 CA MDH A 5 3.612 1.725 4.039 1.00 0.00 C HETATM 107 C MDH A 5 2.302 1.057 4.384 1.00 0.00 C HETATM 108 O MDH A 5 1.767 1.238 5.473 1.00 0.00 O HETATM 109 CB MDH A 5 3.744 3.074 4.182 1.00 0.00 C HETATM 110 CG MDH A 5 4.962 3.934 3.953 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.545 0.219 5.379 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.389 -0.896 4.612 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.017 -0.689 3.923 1.00 0.00 H new HETATM 0 HG3 MDH A 5 5.765 3.611 4.615 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.286 3.838 2.917 1.00 0.00 H new HETATM 0 HG1 MDH A 5 4.717 4.975 4.161 1.00 0.00 H new HETATM 0 HB MDH A 5 2.848 3.603 4.506 1.00 0.00 H new TER 118 MDH A 5