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 -0.473 0.319 2.978 1.00 0.00 C HETATM 2 O ACB A 1 -0.929 1.185 3.733 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.802 0.058 1.817 1.00 0.00 O HETATM 4 CA ACB A 1 0.696 -0.547 3.575 1.00 0.00 C HETATM 5 N ACB A 1 1.894 0.286 3.360 1.00 0.00 N HETATM 6 CB ACB A 1 0.749 -1.996 2.977 1.00 0.00 C HETATM 7 CG ACB A 1 1.448 -2.069 1.610 1.00 0.00 C HETATM 8 C4 ACB A 1 1.384 -3.063 3.890 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.669 -1.928 1.517 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.310 -2.230 2.870 1.00 0.00 H new HETATM 0 HA ACB A 1 0.576 -0.771 4.635 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.413 -2.784 4.115 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.816 -3.132 4.818 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.372 -4.028 3.384 1.00 0.00 H new ATOM 16 N ARG A 2 0.644 -2.334 0.514 1.00 0.00 N ATOM 17 CA ARG A 2 1.144 -2.378 -0.861 1.00 0.00 C ATOM 18 C ARG A 2 0.206 -1.408 -1.629 1.00 0.00 C ATOM 19 O ARG A 2 -0.476 -1.797 -2.576 1.00 0.00 O ATOM 20 CB ARG A 2 1.176 -3.790 -1.479 1.00 0.00 C ATOM 21 CG ARG A 2 2.210 -4.775 -0.889 1.00 0.00 C ATOM 22 CD ARG A 2 1.822 -5.519 0.411 1.00 0.00 C ATOM 23 NE ARG A 2 0.703 -6.486 0.258 1.00 0.00 N ATOM 24 CZ ARG A 2 -0.601 -6.349 0.750 1.00 0.00 C ATOM 25 NH1 ARG A 2 -1.001 -5.207 1.501 1.00 0.00 N ATOM 26 NH2 ARG A 2 -1.550 -7.374 0.494 1.00 0.00 N ATOM 0 HA ARG A 2 2.192 -2.082 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.185 -4.231 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.369 -3.691 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.436 -5.522 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.131 -4.224 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.697 -6.051 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.549 -4.784 1.168 1.00 0.00 H new ATOM 0 HE ARG A 2 0.907 -7.340 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.331 -4.462 1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.958 -5.134 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.279 -8.198 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.503 -7.286 0.847 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.223 -0.091 -1.191 1.00 0.00 N HETATM 41 C2 MFD A 3 0.230 2.336 -1.783 1.00 0.00 C HETATM 42 C1 MFD A 3 1.717 2.183 -2.131 1.00 0.00 C HETATM 43 O1 MFD A 3 2.063 1.610 -3.166 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.494 0.978 -1.901 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.343 3.435 -2.702 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.423 0.568 -2.300 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.421 1.064 -1.537 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.051 0.926 -2.129 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.923 1.113 -1.411 1.00 0.00 C HETATM 50 C' MFD A 3 -7.047 2.607 -3.578 1.00 0.00 C HETATM 51 C9 MFD A 3 -7.467 1.124 -3.536 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.928 0.530 -2.212 1.00 0.00 C HETATM 53 C4' MFD A 3 -9.101 4.827 -6.687 1.00 0.00 C HETATM 54 C3' MFD A 3 -7.791 4.376 -6.888 1.00 0.00 C HETATM 55 C2' MFD A 3 -7.136 3.664 -5.884 1.00 0.00 C HETATM 56 C1' MFD A 3 -7.761 3.383 -4.665 1.00 0.00 C HETATM 57 C6' MFD A 3 -9.069 3.841 -4.477 1.00 0.00 C HETATM 58 C5' MFD A 3 -9.738 4.554 -5.471 1.00 0.00 C HETATM 59 O9 MFD A 3 -6.999 0.512 -4.755 1.00 0.00 O HETATM 60 CM9 MFD A 3 -7.599 -0.734 -5.067 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.636 1.058 -0.927 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.736 1.797 -0.247 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.092 0.117 -0.700 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -7.401 -1.444 -4.265 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.675 -0.602 -5.177 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -7.183 -1.115 -6.000 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.303 0.481 -0.065 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.386 2.108 -0.779 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.715 0.954 -1.038 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.354 2.668 -0.465 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.273 1.131 0.428 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.808 2.120 0.224 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.190 4.370 -2.527 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.222 3.138 -3.744 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.402 3.575 -2.485 1.00 0.00 H new HETATM 0 H9 MFD A 3 -8.543 0.949 -3.516 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.202 -0.517 -2.087 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.051 0.075 -3.198 1.00 0.00 H new HETATM 0 H6' MFD A 3 -9.576 3.636 -3.534 1.00 0.00 H new HETATM 0 H5' MFD A 3 -10.758 4.899 -5.301 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.962 0.664 -3.183 1.00 0.00 H new HETATM 0 H4' MFD A 3 -9.619 5.384 -7.468 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.054 1.391 -0.365 1.00 0.00 H new HETATM 0 H3' MFD A 3 -7.283 4.582 -7.830 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.511 0.690 -2.952 1.00 0.00 H new HETATM 0 H2' MFD A 3 -6.116 3.319 -6.053 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.082 2.644 -0.748 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -7.254 3.067 -2.612 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.971 2.672 -3.737 1.00 0.00 H new HETATM 90 N FGA A 4 2.613 2.709 -1.216 1.00 0.00 N HETATM 91 CA FGA A 4 4.066 2.494 -1.308 1.00 0.00 C HETATM 92 C FGA A 4 4.622 3.959 -1.364 1.00 0.00 C HETATM 93 O FGA A 4 4.567 4.482 -2.485 1.00 0.00 O HETATM 94 CB FGA A 4 4.617 1.532 -0.236 1.00 0.00 C HETATM 95 CG FGA A 4 4.405 1.835 1.261 1.00 0.00 C HETATM 96 CD FGA A 4 5.091 0.793 2.194 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.874 -0.021 1.713 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.796 2.828 1.484 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.336 1.858 1.474 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.186 0.550 -0.431 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.691 1.447 -0.400 1.00 0.00 H new HETATM 0 HA FGA A 4 4.400 1.939 -2.185 1.00 0.00 H new HETATM 104 N MDH A 5 4.797 0.825 3.582 1.00 0.00 N HETATM 105 CM MDH A 5 5.322 -0.299 4.367 1.00 0.00 C HETATM 106 CA MDH A 5 3.771 1.660 4.122 1.00 0.00 C HETATM 107 C MDH A 5 2.421 1.050 4.420 1.00 0.00 C HETATM 108 O MDH A 5 1.874 1.230 5.503 1.00 0.00 O HETATM 109 CB MDH A 5 3.992 2.982 4.369 1.00 0.00 C HETATM 110 CG MDH A 5 5.260 3.778 4.178 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.751 0.075 5.296 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.513 -0.993 4.595 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.092 -0.815 3.793 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.053 3.352 4.792 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.556 3.745 3.129 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.088 4.813 4.475 1.00 0.00 H new HETATM 0 HB MDH A 5 3.139 3.539 4.756 1.00 0.00 H new TER 118 MDH A 5