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 -0.468 0.334 3.013 1.00 0.00 C HETATM 2 O ACB A 1 -0.784 0.092 1.845 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.934 1.186 3.778 1.00 0.00 O HETATM 4 CA ACB A 1 0.699 -0.538 3.608 1.00 0.00 C HETATM 5 N ACB A 1 1.905 0.278 3.377 1.00 0.00 N HETATM 6 CB ACB A 1 0.729 -1.989 3.017 1.00 0.00 C HETATM 7 CG ACB A 1 1.421 -2.080 1.649 1.00 0.00 C HETATM 8 C4 ACB A 1 1.344 -3.070 3.924 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.648 -2.013 1.554 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.336 -2.200 2.920 1.00 0.00 H new HETATM 0 HA ACB A 1 0.588 -0.750 4.671 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.379 -2.812 4.148 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.777 -3.132 4.853 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.312 -4.033 3.415 1.00 0.00 H new ATOM 16 N ARG A 2 0.597 -2.287 0.558 1.00 0.00 N ATOM 17 CA ARG A 2 1.091 -2.434 -0.810 1.00 0.00 C ATOM 18 C ARG A 2 0.215 -1.452 -1.627 1.00 0.00 C ATOM 19 O ARG A 2 -0.515 -1.851 -2.533 1.00 0.00 O ATOM 20 CB ARG A 2 1.017 -3.884 -1.320 1.00 0.00 C ATOM 21 CG ARG A 2 1.928 -4.877 -0.570 1.00 0.00 C ATOM 22 CD ARG A 2 1.849 -6.324 -1.105 1.00 0.00 C ATOM 23 NE ARG A 2 2.309 -6.486 -2.507 1.00 0.00 N ATOM 24 CZ ARG A 2 2.291 -7.681 -3.233 1.00 0.00 C ATOM 25 NH1 ARG A 2 1.817 -8.892 -2.650 1.00 0.00 N ATOM 26 NH2 ARG A 2 2.754 -7.688 -4.575 1.00 0.00 N ATOM 0 HA ARG A 2 2.153 -2.202 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.014 -4.229 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.281 -3.897 -2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.959 -4.531 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.659 -4.875 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.448 -6.969 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.818 -6.670 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 2 2.668 -5.657 -2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.483 -8.897 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.812 -9.753 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.096 -6.827 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.745 -8.554 -5.113 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.336 -0.113 -1.276 1.00 0.00 N HETATM 41 C2 MFD A 3 0.218 2.333 -1.824 1.00 0.00 C HETATM 42 C1 MFD A 3 1.715 2.259 -2.154 1.00 0.00 C HETATM 43 O1 MFD A 3 2.090 1.752 -3.212 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.426 0.938 -1.965 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.406 3.408 -2.736 1.00 0.00 C HETATM 46 C7 MFD A 3 -4.702 -0.837 -1.339 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.213 0.425 -1.306 1.00 0.00 C HETATM 48 C5 MFD A 3 -2.969 0.619 -2.103 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.847 0.968 -1.443 1.00 0.00 C HETATM 50 C' MFD A 3 -3.820 -2.062 1.159 1.00 0.00 C HETATM 51 C9 MFD A 3 -5.057 -2.602 0.392 1.00 0.00 C HETATM 52 C8 MFD A 3 -5.755 -1.477 -0.456 1.00 0.00 C HETATM 53 C4' MFD A 3 -1.735 -5.140 3.400 1.00 0.00 C HETATM 54 C3' MFD A 3 -2.482 -4.164 4.069 1.00 0.00 C HETATM 55 C2' MFD A 3 -3.153 -3.179 3.343 1.00 0.00 C HETATM 56 C1' MFD A 3 -3.105 -3.145 1.947 1.00 0.00 C HETATM 57 C6' MFD A 3 -2.348 -4.124 1.292 1.00 0.00 C HETATM 58 C5' MFD A 3 -1.670 -5.113 2.002 1.00 0.00 C HETATM 59 O9 MFD A 3 -5.971 -3.371 1.189 1.00 0.00 O HETATM 60 CM9 MFD A 3 -6.670 -2.686 2.216 1.00 0.00 C HETATM 61 CM8 MFD A 3 -6.960 -1.926 -1.323 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.768 1.482 -0.362 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.193 0.123 -0.775 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -5.956 -2.261 2.921 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -7.268 -1.886 1.778 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -7.325 -3.384 2.738 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.389 -1.060 -1.827 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -6.624 -2.649 -2.067 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -7.715 -2.386 -0.686 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -5.826 1.638 -0.572 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -4.648 1.149 0.669 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -4.228 2.418 -0.506 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.073 4.369 -2.547 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.260 3.129 -3.780 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.473 3.487 -2.528 1.00 0.00 H new HETATM 0 H9 MFD A 3 -4.664 -3.333 -0.314 1.00 0.00 H new HETATM 0 H8 MFD A 3 -6.187 -0.781 0.263 1.00 0.00 H new HETATM 0 H7 MFD A 3 -4.279 -1.483 -2.108 1.00 0.00 H new HETATM 0 H6' MFD A 3 -2.288 -4.112 0.204 1.00 0.00 H new HETATM 0 H5' MFD A 3 -1.089 -5.866 1.469 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.967 0.483 -3.184 1.00 0.00 H new HETATM 0 H4' MFD A 3 -1.210 -5.913 3.961 1.00 0.00 H new HETATM 0 H4 MFD A 3 -1.977 1.311 -0.417 1.00 0.00 H new HETATM 0 H3' MFD A 3 -2.540 -4.173 5.157 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.423 0.693 -3.027 1.00 0.00 H new HETATM 0 H2' MFD A 3 -3.726 -2.421 3.876 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.041 2.627 -0.789 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -3.124 -1.614 0.450 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -4.135 -1.271 1.839 1.00 0.00 H new HETATM 90 N FGA A 4 2.588 2.764 -1.202 1.00 0.00 N HETATM 91 CA FGA A 4 4.045 2.576 -1.286 1.00 0.00 C HETATM 92 C FGA A 4 4.578 4.050 -1.283 1.00 0.00 C HETATM 93 O FGA A 4 4.974 4.502 -0.206 1.00 0.00 O HETATM 94 CB FGA A 4 4.593 1.579 -0.244 1.00 0.00 C HETATM 95 CG FGA A 4 4.375 1.830 1.260 1.00 0.00 C HETATM 96 CD FGA A 4 5.064 0.759 2.159 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.812 -0.067 1.646 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.760 2.816 1.518 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.306 1.840 1.470 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.165 0.603 -0.474 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.668 1.501 -0.406 1.00 0.00 H new HETATM 0 HA FGA A 4 4.403 2.063 -2.179 1.00 0.00 H new HETATM 104 N MDH A 5 4.810 0.778 3.555 1.00 0.00 N HETATM 105 CM MDH A 5 5.340 -0.362 4.314 1.00 0.00 C HETATM 106 CA MDH A 5 3.811 1.622 4.131 1.00 0.00 C HETATM 107 C MDH A 5 2.451 1.035 4.433 1.00 0.00 C HETATM 108 O MDH A 5 1.912 1.227 5.517 1.00 0.00 O HETATM 109 CB MDH A 5 4.071 2.929 4.414 1.00 0.00 C HETATM 110 CG MDH A 5 5.357 3.696 4.231 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.800 -0.004 5.235 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.527 -1.047 4.557 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.087 -0.883 3.714 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.146 3.230 4.822 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.639 3.687 3.178 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.217 4.726 4.560 1.00 0.00 H new HETATM 0 HB MDH A 5 3.238 3.497 4.828 1.00 0.00 H new TER 118 MDH A 5