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 -0.404 0.394 2.949 1.00 0.00 C HETATM 2 O ACB A 1 -0.871 1.244 3.716 1.00 0.00 O HETATM 3 OXT ACB A 1 -0.692 0.181 1.768 1.00 0.00 O HETATM 4 CA ACB A 1 0.726 -0.518 3.554 1.00 0.00 C HETATM 5 N ACB A 1 1.951 0.281 3.375 1.00 0.00 N HETATM 6 CB ACB A 1 0.732 -1.951 2.920 1.00 0.00 C HETATM 7 CG ACB A 1 1.398 -2.024 1.536 1.00 0.00 C HETATM 8 C4 ACB A 1 1.357 -3.066 3.780 1.00 0.00 C HETATM 9 OD2 ACB A 1 2.604 -1.815 1.400 1.00 0.00 O HETATM 0 HB3 ACB A 1 -0.339 -2.135 2.839 1.00 0.00 H new HETATM 0 HA ACB A 1 0.591 -0.758 4.609 1.00 0.00 H new HETATM 0 H43 ACB A 1 2.399 -2.823 3.989 1.00 0.00 H new HETATM 0 H42 ACB A 1 0.809 -3.152 4.718 1.00 0.00 H new HETATM 0 H41 ACB A 1 1.306 -4.012 3.242 1.00 0.00 H new ATOM 16 N ARG A 2 0.579 -2.384 0.477 1.00 0.00 N ATOM 17 CA ARG A 2 1.037 -2.466 -0.913 1.00 0.00 C ATOM 18 C ARG A 2 0.124 -1.462 -1.670 1.00 0.00 C ATOM 19 O ARG A 2 -0.580 -1.822 -2.612 1.00 0.00 O ATOM 20 CB ARG A 2 0.995 -3.885 -1.521 1.00 0.00 C ATOM 21 CG ARG A 2 2.043 -4.905 -1.020 1.00 0.00 C ATOM 22 CD ARG A 2 1.943 -5.396 0.441 1.00 0.00 C ATOM 23 NE ARG A 2 0.615 -5.919 0.855 1.00 0.00 N ATOM 24 CZ ARG A 2 0.107 -7.190 0.567 1.00 0.00 C ATOM 25 NH1 ARG A 2 0.864 -8.141 -0.176 1.00 0.00 N ATOM 26 NH2 ARG A 2 -1.191 -7.539 1.024 1.00 0.00 N ATOM 0 HA ARG A 2 2.096 -2.218 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.005 -4.301 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.105 -3.792 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.994 -5.779 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.030 -4.462 -1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.685 -6.180 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.210 -4.571 1.101 1.00 0.00 H new ATOM 0 HE ARG A 2 0.020 -5.294 1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.797 -7.901 -0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.473 -9.062 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.742 -6.866 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.572 -8.463 0.820 1.00 0.00 H new HETATM 40 N3 MFD A 3 0.194 -0.148 -1.230 1.00 0.00 N HETATM 41 C2 MFD A 3 0.243 2.293 -1.747 1.00 0.00 C HETATM 42 C1 MFD A 3 1.735 2.149 -2.087 1.00 0.00 C HETATM 43 O1 MFD A 3 2.092 1.563 -3.110 1.00 0.00 O HETATM 44 C3 MFD A 3 -0.494 0.949 -1.925 1.00 0.00 C HETATM 45 CM2 MFD A 3 -0.308 3.433 -2.629 1.00 0.00 C HETATM 46 C7 MFD A 3 -5.326 1.718 -2.490 1.00 0.00 C HETATM 47 C6 MFD A 3 -4.421 1.180 -1.640 1.00 0.00 C HETATM 48 C5 MFD A 3 -3.049 0.981 -2.208 1.00 0.00 C HETATM 49 C4 MFD A 3 -1.931 1.092 -1.461 1.00 0.00 C HETATM 50 C' MFD A 3 -5.431 4.631 -2.415 1.00 0.00 C HETATM 51 C9 MFD A 3 -6.654 3.804 -1.903 1.00 0.00 C HETATM 52 C8 MFD A 3 -6.703 2.267 -2.224 1.00 0.00 C HETATM 53 C4' MFD A 3 -5.520 8.690 -0.871 1.00 0.00 C HETATM 54 C3' MFD A 3 -6.012 8.410 -2.151 1.00 0.00 C HETATM 55 C2' MFD A 3 -5.979 7.105 -2.641 1.00 0.00 C HETATM 56 C1' MFD A 3 -5.465 6.053 -1.876 1.00 0.00 C HETATM 57 C6' MFD A 3 -4.972 6.349 -0.600 1.00 0.00 C HETATM 58 C5' MFD A 3 -4.998 7.648 -0.096 1.00 0.00 C HETATM 59 O9 MFD A 3 -7.911 4.406 -2.245 1.00 0.00 O HETATM 60 CM9 MFD A 3 -8.668 4.925 -1.162 1.00 0.00 C HETATM 61 CM8 MFD A 3 -7.623 1.436 -1.264 1.00 0.00 C HETATM 62 CM6 MFD A 3 -4.786 1.076 -0.181 1.00 0.00 C HETATM 0 HN31 MFD A 3 1.053 0.036 -0.712 1.00 0.00 H new HETATM 0 HM93 MFD A 3 -8.898 4.122 -0.461 1.00 0.00 H new HETATM 0 HM92 MFD A 3 -8.092 5.697 -0.652 1.00 0.00 H new HETATM 0 HM91 MFD A 3 -9.596 5.354 -1.540 1.00 0.00 H new HETATM 0 HM83 MFD A 3 -7.778 0.441 -1.680 1.00 0.00 H new HETATM 0 HM82 MFD A 3 -7.147 1.350 -0.287 1.00 0.00 H new HETATM 0 HM81 MFD A 3 -8.584 1.938 -1.156 1.00 0.00 H new HETATM 0 HM63 MFD A 3 -4.986 2.071 0.216 1.00 0.00 H new HETATM 0 HM62 MFD A 3 -5.676 0.456 -0.072 1.00 0.00 H new HETATM 0 HM61 MFD A 3 -3.960 0.625 0.369 1.00 0.00 H new HETATM 0 HM23 MFD A 3 0.229 4.355 -2.409 1.00 0.00 H new HETATM 0 HM22 MFD A 3 -0.174 3.177 -3.680 1.00 0.00 H new HETATM 0 HM21 MFD A 3 -1.369 3.573 -2.422 1.00 0.00 H new HETATM 0 H9 MFD A 3 -6.480 3.845 -0.828 1.00 0.00 H new HETATM 0 H8 MFD A 3 -7.233 2.143 -3.169 1.00 0.00 H new HETATM 0 H7 MFD A 3 -5.008 1.761 -3.532 1.00 0.00 H new HETATM 0 H6' MFD A 3 -4.559 5.547 0.012 1.00 0.00 H new HETATM 0 H5' MFD A 3 -4.612 7.853 0.902 1.00 0.00 H new HETATM 0 H5 MFD A 3 -2.950 0.737 -3.266 1.00 0.00 H new HETATM 0 H4' MFD A 3 -5.543 9.708 -0.482 1.00 0.00 H new HETATM 0 H4 MFD A 3 -2.077 1.309 -0.403 1.00 0.00 H new HETATM 0 H3' MFD A 3 -6.421 9.212 -2.765 1.00 0.00 H new HETATM 0 H3 MFD A 3 -0.492 0.690 -2.984 1.00 0.00 H new HETATM 0 H2' MFD A 3 -6.362 6.900 -3.641 1.00 0.00 H new HETATM 0 H2 MFD A 3 0.086 2.553 -0.700 1.00 0.00 H new HETATM 0 H'2 MFD A 3 -4.505 4.145 -2.108 1.00 0.00 H new HETATM 0 H'1 MFD A 3 -5.433 4.652 -3.505 1.00 0.00 H new HETATM 90 N FGA A 4 2.621 2.705 -1.179 1.00 0.00 N HETATM 91 CA FGA A 4 4.078 2.528 -1.275 1.00 0.00 C HETATM 92 C FGA A 4 4.596 4.006 -1.329 1.00 0.00 C HETATM 93 O FGA A 4 4.996 4.498 -0.271 1.00 0.00 O HETATM 94 CB FGA A 4 4.654 1.579 -0.204 1.00 0.00 C HETATM 95 CG FGA A 4 4.432 1.875 1.293 1.00 0.00 C HETATM 96 CD FGA A 4 5.135 0.843 2.226 1.00 0.00 C HETATM 97 OE1 FGA A 4 5.932 0.044 1.745 1.00 0.00 O HETATM 0 HG3 FGA A 4 4.804 2.874 1.520 1.00 0.00 H new HETATM 0 HG2 FGA A 4 3.362 1.878 1.503 1.00 0.00 H new HETATM 0 HB3 FGA A 4 4.250 0.586 -0.401 1.00 0.00 H new HETATM 0 HB2 FGA A 4 5.730 1.523 -0.367 1.00 0.00 H new HETATM 0 HA FGA A 4 4.425 1.985 -2.154 1.00 0.00 H new HETATM 104 N MDH A 5 4.838 0.866 3.613 1.00 0.00 N HETATM 105 CM MDH A 5 5.382 -0.251 4.397 1.00 0.00 C HETATM 106 CA MDH A 5 3.800 1.683 4.156 1.00 0.00 C HETATM 107 C MDH A 5 2.452 1.058 4.437 1.00 0.00 C HETATM 108 O MDH A 5 1.885 1.240 5.509 1.00 0.00 O HETATM 109 CB MDH A 5 4.006 3.006 4.414 1.00 0.00 C HETATM 110 CG MDH A 5 5.265 3.817 4.235 1.00 0.00 C HETATM 0 HM3 MDH A 5 5.807 0.129 5.326 1.00 0.00 H new HETATM 0 HM2 MDH A 5 4.584 -0.958 4.625 1.00 0.00 H new HETATM 0 HM1 MDH A 5 6.159 -0.754 3.822 1.00 0.00 H new HETATM 0 HG3 MDH A 5 6.060 3.395 4.849 1.00 0.00 H new HETATM 0 HG2 MDH A 5 5.566 3.796 3.187 1.00 0.00 H new HETATM 0 HG1 MDH A 5 5.080 4.847 4.539 1.00 0.00 H new HETATM 0 HB MDH A 5 3.145 3.551 4.802 1.00 0.00 H new TER 118 MDH A 5