USER MOD reduce.3.24.130724 H: found=0, std=0, add=59, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 60 hydrogens (7 hets) HETATM 1 C ACE A 1 -8.017 -2.375 3.919 1.00 0.00 C HETATM 2 O ACE A 1 -9.164 -1.964 4.085 1.00 0.00 O HETATM 3 CH3 ACE A 1 -7.619 -3.773 4.362 1.00 0.00 C HETATM 0 H1 ACE A 1 -7.276 -4.344 3.499 1.00 0.00 H new HETATM 0 H2 ACE A 1 -6.816 -3.707 5.097 1.00 0.00 H new HETATM 0 H3 ACE A 1 -8.479 -4.272 4.808 1.00 0.00 H new ATOM 7 N ARG A 2 -7.042 -1.650 3.372 1.00 0.00 N ATOM 8 CA ARG A 2 -7.264 -0.283 2.811 1.00 0.00 C ATOM 9 C ARG A 2 -6.701 -0.232 1.342 1.00 0.00 C ATOM 10 O ARG A 2 -7.054 -1.074 0.515 1.00 0.00 O ATOM 11 CB ARG A 2 -6.707 0.718 3.880 1.00 0.00 C ATOM 12 CG ARG A 2 -6.975 2.232 3.638 1.00 0.00 C ATOM 13 CD ARG A 2 -8.022 2.889 4.555 1.00 0.00 C ATOM 14 NE ARG A 2 -9.398 2.471 4.175 1.00 0.00 N ATOM 15 CZ ARG A 2 -10.521 2.896 4.755 1.00 0.00 C ATOM 16 NH1 ARG A 2 -11.656 2.458 4.295 1.00 0.00 N ATOM 17 NH2 ARG A 2 -10.544 3.733 5.764 1.00 0.00 N ATOM 0 H ARG A 2 -6.078 -1.974 3.297 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.303 0.011 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.130 0.450 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.629 0.572 3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.034 2.770 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.294 2.363 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.827 2.614 5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.937 3.974 4.492 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.490 1.805 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.671 1.807 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.531 2.766 4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.670 4.095 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.435 4.022 6.166 1.00 0.00 H new ATOM 31 N ALA A 3 -5.828 0.732 1.007 1.00 0.00 N ATOM 32 CA ALA A 3 -5.024 0.713 -0.253 1.00 0.00 C ATOM 33 C ALA A 3 -3.662 -0.073 -0.216 1.00 0.00 C ATOM 34 O ALA A 3 -2.965 -0.139 -1.230 1.00 0.00 O ATOM 35 CB ALA A 3 -4.790 2.201 -0.579 1.00 0.00 C ATOM 0 H ALA A 3 -5.651 1.549 1.591 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.579 0.160 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.204 2.285 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.750 2.699 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.250 2.673 0.242 1.00 0.00 H new HETATM 41 N DCY A 4 -3.258 -0.615 0.948 1.00 0.00 N HETATM 42 CA DCY A 4 -1.911 -1.200 1.184 1.00 0.00 C HETATM 43 C DCY A 4 -0.688 -0.217 1.056 1.00 0.00 C HETATM 44 O DCY A 4 0.379 -0.615 0.590 1.00 0.00 O HETATM 45 CB DCY A 4 -1.979 -1.859 2.595 1.00 0.00 C HETATM 46 SG DCY A 4 -1.407 -3.565 2.569 1.00 0.00 S HETATM 0 HB3 DCY A 4 -1.372 -1.283 3.294 1.00 0.00 H new HETATM 0 HB2 DCY A 4 -3.005 -1.826 2.962 1.00 0.00 H new HETATM 0 HA DCY A 4 -1.704 -1.913 0.386 1.00 0.00 H new ATOM 51 N ARG A 5 -0.838 1.045 1.503 1.00 0.00 N ATOM 52 CA ARG A 5 0.281 2.034 1.623 1.00 0.00 C ATOM 53 C ARG A 5 1.076 2.034 2.983 1.00 0.00 C ATOM 54 O ARG A 5 2.190 2.553 3.055 1.00 0.00 O ATOM 55 CB ARG A 5 -0.316 3.451 1.321 1.00 0.00 C ATOM 56 CG ARG A 5 0.318 4.139 0.091 1.00 0.00 C ATOM 57 CD ARG A 5 -0.104 5.611 -0.104 1.00 0.00 C ATOM 58 NE ARG A 5 -1.266 5.745 -1.029 1.00 0.00 N ATOM 59 CZ ARG A 5 -1.711 6.900 -1.532 1.00 0.00 C ATOM 60 NH1 ARG A 5 -2.643 6.866 -2.440 1.00 0.00 N ATOM 61 NH2 ARG A 5 -1.257 8.073 -1.162 1.00 0.00 N ATOM 0 H ARG A 5 -1.740 1.421 1.796 1.00 0.00 H new ATOM 0 HA ARG A 5 1.042 1.736 0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.390 3.357 1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.178 4.088 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.403 4.094 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.051 3.576 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.359 6.045 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.739 6.180 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.757 4.892 -1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.018 5.970 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.999 7.735 -2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.525 8.137 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.636 8.922 -1.582 1.00 0.00 H new ATOM 75 N PHE A 6 0.466 1.509 4.050 1.00 0.00 N ATOM 76 CA PHE A 6 0.950 1.572 5.462 1.00 0.00 C ATOM 77 C PHE A 6 0.852 0.162 6.131 1.00 0.00 C ATOM 78 O PHE A 6 1.834 -0.306 6.709 1.00 0.00 O ATOM 79 CB PHE A 6 0.271 2.711 6.309 1.00 0.00 C ATOM 80 CG PHE A 6 -1.069 3.317 5.827 1.00 0.00 C ATOM 81 CD1 PHE A 6 -2.270 2.628 6.011 1.00 0.00 C ATOM 82 CD2 PHE A 6 -1.066 4.509 5.095 1.00 0.00 C ATOM 83 CE1 PHE A 6 -3.453 3.116 5.457 1.00 0.00 C ATOM 84 CE2 PHE A 6 -2.248 4.997 4.541 1.00 0.00 C ATOM 85 CZ PHE A 6 -3.439 4.299 4.720 1.00 0.00 C ATOM 0 H PHE A 6 -0.416 1.004 3.967 1.00 0.00 H new ATOM 0 HA PHE A 6 2.002 1.855 5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.111 2.321 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.988 3.528 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.282 1.713 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.143 5.054 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.379 2.578 5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.240 5.916 3.973 1.00 0.00 H new ATOM 0 HZ PHE A 6 -4.354 4.675 4.287 1.00 0.00 H new ATOM 95 N PHE A 7 -0.291 -0.544 6.013 1.00 0.00 N ATOM 96 CA PHE A 7 -0.447 -1.954 6.492 1.00 0.00 C ATOM 97 C PHE A 7 0.126 -3.080 5.531 1.00 0.00 C ATOM 98 O PHE A 7 -0.276 -4.242 5.638 1.00 0.00 O ATOM 99 CB PHE A 7 -1.964 -2.179 6.831 1.00 0.00 C ATOM 100 CG PHE A 7 -2.760 -1.106 7.626 1.00 0.00 C ATOM 101 CD1 PHE A 7 -2.207 -0.459 8.738 1.00 0.00 C ATOM 102 CD2 PHE A 7 -4.031 -0.720 7.177 1.00 0.00 C ATOM 103 CE1 PHE A 7 -2.892 0.580 9.364 1.00 0.00 C ATOM 104 CE2 PHE A 7 -4.721 0.311 7.813 1.00 0.00 C ATOM 105 CZ PHE A 7 -4.147 0.965 8.899 1.00 0.00 C ATOM 0 H PHE A 7 -1.136 -0.164 5.586 1.00 0.00 H new ATOM 0 HA PHE A 7 0.178 -2.065 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.486 -2.333 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.034 -3.112 7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.242 -0.768 9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.478 -1.224 6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.450 1.087 10.209 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.700 0.602 7.463 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.676 1.773 9.382 1.00 0.00 H new ATOM 115 N CYS A 8 1.066 -2.755 4.616 1.00 0.00 N ATOM 116 CA CYS A 8 1.768 -3.726 3.732 1.00 0.00 C ATOM 117 C CYS A 8 3.250 -3.880 4.164 1.00 0.00 C ATOM 118 O CYS A 8 4.038 -2.843 4.538 1.00 0.00 O ATOM 119 CB CYS A 8 1.698 -3.215 2.272 1.00 0.00 C ATOM 120 SG CYS A 8 0.205 -3.744 1.410 1.00 0.00 S ATOM 121 OXT CYS A 8 3.672 -5.176 4.125 1.00 0.00 O ATOM 0 H CYS A 8 1.368 -1.792 4.464 1.00 0.00 H new ATOM 0 HA CYS A 8 1.284 -4.700 3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.744 -2.126 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.572 -3.571 1.726 1.00 0.00 H new TER 126 CYS A 8