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 -0.396 0.384 2.990 1.00 0.00 C HETATM 2 O ACB A 1 -0.662 0.202 1.798 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.886 1.204 3.774 1.00 0.00 O HETATM 4 CA ACB A 1 0.738 -0.531 3.584 1.00 0.00 C HETATM 5 N ACB A 1 1.959 0.273 3.400 1.00 0.00 N HETATM 6 CB ACB A 1 0.743 -1.954 2.930 1.00 0.00 C HETATM 7 CG ACB A 1 1.405 -2.002 1.544 1.00 0.00 C HETATM 8 C4 ACB A 1 1.372 -3.090 3.759 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.609 -1.782 1.408 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.330 -2.134 2.861 1.00 0.00 H new HETATM 0 HA ACB A 1 0.611 -0.781 4.637 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.416 -2.854 3.966 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.831 -3.197 4.699 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.315 -4.024 3.199 1.00 0.00 H new ATOM 16 N ARG A 2 0.585 -2.349 0.484 1.00 0.00 N ATOM 17 CA ARG A 2 1.056 -2.435 -0.902 1.00 0.00 C ATOM 18 C ARG A 2 0.142 -1.458 -1.687 1.00 0.00 C ATOM 19 O ARG A 2 -0.530 -1.837 -2.645 1.00 0.00 O ATOM 20 CB ARG A 2 1.044 -3.874 -1.456 1.00 0.00 C ATOM 21 CG ARG A 2 1.969 -4.895 -0.751 1.00 0.00 C ATOM 22 CD ARG A 2 3.477 -4.672 -0.965 1.00 0.00 C ATOM 23 NE ARG A 2 4.366 -5.650 -0.286 1.00 0.00 N ATOM 24 CZ ARG A 2 4.770 -5.597 1.053 1.00 0.00 C ATOM 25 NH1 ARG A 2 4.260 -4.611 1.944 1.00 0.00 N ATOM 26 NH2 ARG A 2 5.711 -6.544 1.537 1.00 0.00 N ATOM 0 HA ARG A 2 2.106 -2.155 -0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.022 -4.250 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.319 -3.836 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.763 -4.869 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.713 -5.895 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.683 -4.700 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.733 -3.671 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 2 4.713 -6.429 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.585 -3.923 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.570 -4.593 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.087 -7.256 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.011 -6.513 2.511 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.182 -0.141 -1.252 1.00 0.00 N HETATM 41 C2 MFD A 3 0.234 2.295 -1.787 1.00 0.00 C HETATM 42 C1 MFD A 3 1.728 2.145 -2.107 1.00 0.00 C HETATM 43 O1 MFD A 3 2.096 1.568 -3.131 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.504 0.949 -1.957 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.307 3.427 -2.686 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.447 0.704 -2.434 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.433 1.117 -1.643 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.061 0.955 -2.223 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.939 1.096 -1.486 1.00 0.00 C HETATM 50 C' MFD A 3 -6.947 2.914 -3.582 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.447 1.445 -3.648 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.959 0.740 -2.363 1.00 0.00 C HETATM 53 C4' MFD A 3 -8.716 5.662 -6.442 1.00 0.00 C HETATM 54 C3' MFD A 3 -9.520 4.994 -5.513 1.00 0.00 C HETATM 55 C2' MFD A 3 -8.946 4.111 -4.600 1.00 0.00 C HETATM 56 C1' MFD A 3 -7.568 3.862 -4.593 1.00 0.00 C HETATM 57 C6' MFD A 3 -6.775 4.550 -5.518 1.00 0.00 C HETATM 58 C5' MFD A 3 -7.335 5.436 -6.438 1.00 0.00 C HETATM 59 O9 MFD A 3 -7.016 0.667 -4.777 1.00 0.00 O HETATM 60 CM9 MFD A 3 -7.361 1.145 -6.060 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.651 1.181 -1.038 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.748 1.815 -0.339 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.040 0.047 -0.733 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -8.446 1.206 -6.146 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -6.929 2.135 -6.208 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -6.974 0.464 -6.818 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.359 0.506 -0.233 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.345 2.197 -0.788 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.733 1.149 -1.164 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.320 2.721 -0.540 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.333 1.151 0.297 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.819 2.077 0.167 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.228 4.351 -2.469 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.162 3.161 -3.733 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.370 3.569 -2.492 1.00 0.00 H new HETATM 0 H9 MFD A 3 -8.531 1.505 -3.751 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.304 -0.293 -2.322 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.089 0.228 -3.347 1.00 0.00 H new HETATM 0 H6' MFD A 3 -5.697 4.390 -5.520 1.00 0.00 H new HETATM 0 H5' MFD A 3 -6.697 5.953 -7.154 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.965 0.714 -3.282 1.00 0.00 H new HETATM 0 H4' MFD A 3 -9.160 6.351 -7.161 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.080 1.343 -0.434 1.00 0.00 H new HETATM 0 H3' MFD A 3 -10.597 5.164 -5.503 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.503 0.684 -3.014 1.00 0.00 H new HETATM 0 H2' MFD A 3 -9.583 3.603 -3.876 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.067 2.568 -0.745 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -7.140 3.301 -2.581 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.866 2.918 -3.722 1.00 0.00 H new HETATM 90 N FGA A 4 2.605 2.687 -1.182 1.00 0.00 N HETATM 91 CA FGA A 4 4.064 2.521 -1.270 1.00 0.00 C HETATM 92 C FGA A 4 4.569 4.005 -1.314 1.00 0.00 C HETATM 93 O FGA A 4 4.954 4.497 -0.250 1.00 0.00 O HETATM 94 CB FGA A 4 4.643 1.572 -0.202 1.00 0.00 C HETATM 95 CG FGA A 4 4.417 1.861 1.296 1.00 0.00 C HETATM 96 CD FGA A 4 5.124 0.829 2.225 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.912 0.024 1.740 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.783 2.861 1.527 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.347 1.857 1.504 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.245 0.577 -0.403 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.720 1.523 -0.363 1.00 0.00 H new HETATM 0 HA FGA A 4 4.421 1.983 -2.148 1.00 0.00 H new HETATM 104 N MDH A 5 4.843 0.860 3.617 1.00 0.00 N HETATM 105 CM MDH A 5 5.395 -0.254 4.399 1.00 0.00 C HETATM 106 CA MDH A 5 3.809 1.679 4.166 1.00 0.00 C HETATM 107 C MDH A 5 2.463 1.055 4.456 1.00 0.00 C HETATM 108 O MDH A 5 1.898 1.241 5.530 1.00 0.00 O HETATM 109 CB MDH A 5 4.018 3.002 4.421 1.00 0.00 C HETATM 110 CG MDH A 5 5.277 3.810 4.235 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.828 0.129 5.323 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.600 -0.961 4.637 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.167 -0.759 3.818 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.074 3.387 4.846 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.573 3.787 3.186 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.096 4.841 4.538 1.00 0.00 H new HETATM 0 HB MDH A 5 3.160 3.549 4.812 1.00 0.00 H new TER 118 MDH A 5