USER MOD reduce.3.24.130724 H: found=0, std=0, add=125, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 126 hydrogens (0 hets) ATOM 8 N ILE A 2 -11.865 -1.117 -1.488 1.00 0.00 N ATOM 9 CA ILE A 2 -10.897 -1.601 -2.414 1.00 0.00 C ATOM 10 C ILE A 2 -9.561 -1.300 -1.774 1.00 0.00 C ATOM 11 O ILE A 2 -9.433 -0.285 -1.068 1.00 0.00 O ATOM 12 CB ILE A 2 -10.978 -0.858 -3.793 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.418 -0.861 -4.352 1.00 0.00 C ATOM 14 CG2 ILE A 2 -10.030 -1.509 -4.798 1.00 0.00 C ATOM 15 CD1 ILE A 2 -12.584 -0.126 -5.668 1.00 0.00 C ATOM 0 HA ILE A 2 -11.057 -2.660 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.680 0.178 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.741 -1.894 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.082 -0.412 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.095 -0.985 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.008 -1.454 -4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.310 -2.553 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -13.625 -0.179 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.296 0.918 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.950 -0.587 -6.425 1.00 0.00 H new ATOM 27 N CYS A 3 -8.615 -2.157 -1.950 1.00 0.00 N ATOM 28 CA CYS A 3 -7.315 -1.951 -1.389 1.00 0.00 C ATOM 29 C CYS A 3 -6.363 -1.472 -2.446 1.00 0.00 C ATOM 30 O CYS A 3 -6.575 -1.692 -3.645 1.00 0.00 O ATOM 31 CB CYS A 3 -6.778 -3.221 -0.740 1.00 0.00 C ATOM 32 SG CYS A 3 -7.819 -3.878 0.608 1.00 0.00 S ATOM 0 H CYS A 3 -8.715 -3.020 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.405 -1.190 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.670 -3.989 -1.506 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.781 -3.020 -0.348 1.00 0.00 H new ATOM 37 N ARG A 4 -5.371 -0.781 -2.020 1.00 0.00 N ATOM 38 CA ARG A 4 -4.342 -0.297 -2.872 1.00 0.00 C ATOM 39 C ARG A 4 -3.021 -0.685 -2.250 1.00 0.00 C ATOM 40 O ARG A 4 -2.667 -0.187 -1.173 1.00 0.00 O ATOM 41 CB ARG A 4 -4.424 1.236 -3.002 1.00 0.00 C ATOM 42 CG ARG A 4 -3.486 1.815 -4.047 1.00 0.00 C ATOM 43 CD ARG A 4 -3.910 1.415 -5.449 1.00 0.00 C ATOM 44 NE ARG A 4 -2.918 1.793 -6.455 1.00 0.00 N ATOM 45 CZ ARG A 4 -3.171 1.990 -7.749 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.424 2.019 -8.195 1.00 0.00 N ATOM 47 NH2 ARG A 4 -2.164 2.201 -8.592 1.00 0.00 N ATOM 0 H ARG A 4 -5.246 -0.527 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.446 -0.725 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.448 1.516 -3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.197 1.686 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.472 2.902 -3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.470 1.468 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.069 0.337 -5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.864 1.886 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.955 1.916 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.200 1.890 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.609 2.170 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.204 2.211 -8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.352 2.352 -9.583 1.00 0.00 H new ATOM 61 N CYS A 5 -2.336 -1.607 -2.852 1.00 0.00 N ATOM 62 CA CYS A 5 -1.067 -2.007 -2.371 1.00 0.00 C ATOM 63 C CYS A 5 -0.003 -1.233 -3.092 1.00 0.00 C ATOM 64 O CYS A 5 0.334 -1.518 -4.248 1.00 0.00 O ATOM 65 CB CYS A 5 -0.890 -3.510 -2.518 1.00 0.00 C ATOM 66 SG CYS A 5 -2.135 -4.500 -1.594 1.00 0.00 S ATOM 0 H CYS A 5 -2.648 -2.098 -3.690 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.984 -1.787 -1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.944 -3.771 -3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.107 -3.784 -2.173 1.00 0.00 H new ATOM 71 N ILE A 6 0.474 -0.211 -2.440 1.00 0.00 N ATOM 72 CA ILE A 6 1.462 0.642 -2.984 1.00 0.00 C ATOM 73 C ILE A 6 2.816 0.108 -2.640 1.00 0.00 C ATOM 74 O ILE A 6 2.985 -0.527 -1.607 1.00 0.00 O ATOM 75 CB ILE A 6 1.337 2.103 -2.471 1.00 0.00 C ATOM 76 CG1 ILE A 6 1.445 2.158 -0.931 1.00 0.00 C ATOM 77 CG2 ILE A 6 0.029 2.721 -2.949 1.00 0.00 C ATOM 78 CD1 ILE A 6 1.456 3.554 -0.359 1.00 0.00 C ATOM 0 H ILE A 6 0.174 0.047 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 6 1.318 0.665 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 6 2.162 2.685 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.609 1.608 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.356 1.645 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.045 3.745 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.005 2.723 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.809 2.138 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.534 3.502 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.308 4.104 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.534 4.066 -0.632 1.00 0.00 H new ATOM 90 N CYS A 7 3.736 0.313 -3.503 1.00 0.00 N ATOM 91 CA CYS A 7 5.088 -0.066 -3.281 1.00 0.00 C ATOM 92 C CYS A 7 5.968 1.036 -3.758 1.00 0.00 C ATOM 93 O CYS A 7 5.719 1.622 -4.819 1.00 0.00 O ATOM 94 CB CYS A 7 5.442 -1.352 -4.025 1.00 0.00 C ATOM 95 SG CYS A 7 4.552 -2.856 -3.484 1.00 0.00 S ATOM 0 H CYS A 7 3.573 0.759 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 7 5.230 -0.248 -2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.248 -1.200 -5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.512 -1.528 -3.918 1.00 0.00 H new ATOM 100 N GLY A 8 6.945 1.355 -2.982 1.00 0.00 N ATOM 101 CA GLY A 8 7.892 2.342 -3.371 1.00 0.00 C ATOM 102 C GLY A 8 9.091 1.678 -3.942 1.00 0.00 C ATOM 103 O GLY A 8 8.990 0.973 -4.943 1.00 0.00 O ATOM 0 H GLY A 8 7.110 0.942 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.451 3.015 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.174 2.950 -2.511 1.00 0.00 H new ATOM 107 N ARG A 9 10.205 1.843 -3.310 1.00 0.00 N ATOM 108 CA ARG A 9 11.396 1.241 -3.784 1.00 0.00 C ATOM 109 C ARG A 9 11.876 0.115 -2.861 1.00 0.00 C ATOM 110 O ARG A 9 12.733 -0.669 -3.240 1.00 0.00 O ATOM 111 CB ARG A 9 12.460 2.301 -4.016 1.00 0.00 C ATOM 112 CG ARG A 9 12.938 3.047 -2.781 1.00 0.00 C ATOM 113 CD ARG A 9 13.811 4.226 -3.183 1.00 0.00 C ATOM 114 NE ARG A 9 14.866 3.829 -4.123 1.00 0.00 N ATOM 115 CZ ARG A 9 15.315 4.580 -5.139 1.00 0.00 C ATOM 116 NH1 ARG A 9 14.896 5.831 -5.290 1.00 0.00 N ATOM 117 NH2 ARG A 9 16.188 4.076 -5.998 1.00 0.00 N ATOM 0 H ARG A 9 10.311 2.395 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 9 11.185 0.767 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.322 1.826 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.070 3.029 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.082 3.399 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.500 2.373 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.191 4.999 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.263 4.663 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 9 15.291 2.911 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.227 6.228 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.243 6.395 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.518 3.117 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.530 4.646 -6.771 1.00 0.00 H new ATOM 131 N ARG A 10 11.329 0.039 -1.649 1.00 0.00 N ATOM 132 CA ARG A 10 11.701 -1.058 -0.734 1.00 0.00 C ATOM 133 C ARG A 10 10.561 -1.450 0.223 1.00 0.00 C ATOM 134 O ARG A 10 10.680 -2.410 0.993 1.00 0.00 O ATOM 135 CB ARG A 10 12.956 -0.715 0.088 1.00 0.00 C ATOM 136 CG ARG A 10 12.761 0.413 1.085 1.00 0.00 C ATOM 137 CD ARG A 10 13.959 0.561 1.992 1.00 0.00 C ATOM 138 NE ARG A 10 13.744 1.577 3.030 1.00 0.00 N ATOM 139 CZ ARG A 10 13.993 1.410 4.345 1.00 0.00 C ATOM 140 NH1 ARG A 10 14.535 0.277 4.794 1.00 0.00 N ATOM 141 NH2 ARG A 10 13.708 2.386 5.206 1.00 0.00 N ATOM 0 H ARG A 10 10.646 0.699 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 10 11.914 -1.912 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.279 -1.607 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 10 13.761 -0.445 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.590 1.347 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.871 0.221 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.177 -0.397 2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.832 0.830 1.398 1.00 0.00 H new ATOM 0 HE ARG A 10 13.377 2.481 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.765 -0.472 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.720 0.160 5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.302 3.259 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.896 2.260 6.201 1.00 0.00 H new ATOM 155 N ILE A 11 9.472 -0.736 0.178 1.00 0.00 N ATOM 156 CA ILE A 11 8.367 -0.960 1.104 1.00 0.00 C ATOM 157 C ILE A 11 7.097 -1.119 0.291 1.00 0.00 C ATOM 158 O ILE A 11 7.035 -0.650 -0.854 1.00 0.00 O ATOM 159 CB ILE A 11 8.169 0.276 2.068 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.509 0.761 2.640 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.215 -0.075 3.221 1.00 0.00 C ATOM 162 CD1 ILE A 11 9.411 2.016 3.482 1.00 0.00 C ATOM 0 H ILE A 11 9.313 0.016 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 11 8.586 -1.845 1.701 1.00 0.00 H new ATOM 0 HB ILE A 11 7.733 1.080 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.942 -0.036 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.198 0.944 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.095 0.792 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.245 -0.362 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.628 -0.904 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.402 2.288 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.010 2.830 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.750 1.835 4.330 1.00 0.00 H new ATOM 174 N CYS A 12 6.134 -1.801 0.840 1.00 0.00 N ATOM 175 CA CYS A 12 4.822 -1.897 0.267 1.00 0.00 C ATOM 176 C CYS A 12 3.825 -1.723 1.376 1.00 0.00 C ATOM 177 O CYS A 12 4.184 -1.823 2.556 1.00 0.00 O ATOM 178 CB CYS A 12 4.572 -3.218 -0.461 1.00 0.00 C ATOM 179 SG CYS A 12 5.653 -3.524 -1.904 1.00 0.00 S ATOM 0 H CYS A 12 6.240 -2.315 1.714 1.00 0.00 H new ATOM 0 HA CYS A 12 4.723 -1.118 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.699 -4.036 0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.534 -3.242 -0.793 1.00 0.00 H new ATOM 184 N ARG A 13 2.610 -1.439 1.026 1.00 0.00 N ATOM 185 CA ARG A 13 1.574 -1.211 1.998 1.00 0.00 C ATOM 186 C ARG A 13 0.217 -1.337 1.340 1.00 0.00 C ATOM 187 O ARG A 13 -0.060 -0.668 0.344 1.00 0.00 O ATOM 188 CB ARG A 13 1.739 0.187 2.611 1.00 0.00 C ATOM 189 CG ARG A 13 0.812 0.470 3.768 1.00 0.00 C ATOM 190 CD ARG A 13 1.100 1.826 4.376 1.00 0.00 C ATOM 191 NE ARG A 13 0.275 2.080 5.557 1.00 0.00 N ATOM 192 CZ ARG A 13 0.459 3.089 6.417 1.00 0.00 C ATOM 193 NH1 ARG A 13 1.393 4.009 6.181 1.00 0.00 N ATOM 194 NH2 ARG A 13 -0.300 3.184 7.506 1.00 0.00 N ATOM 0 H ARG A 13 2.302 -1.357 0.057 1.00 0.00 H new ATOM 0 HA ARG A 13 1.651 -1.956 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.769 0.304 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.571 0.934 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.223 0.433 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.925 -0.304 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.153 1.885 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.920 2.603 3.633 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.498 1.440 5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.971 3.946 5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.530 4.777 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.023 2.487 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.159 3.953 8.161 1.00 0.00 H new ATOM 208 N CYS A 14 -0.598 -2.215 1.855 1.00 0.00 N ATOM 209 CA CYS A 14 -1.922 -2.403 1.369 1.00 0.00 C ATOM 210 C CYS A 14 -2.899 -1.566 2.159 1.00 0.00 C ATOM 211 O CYS A 14 -3.266 -1.890 3.293 1.00 0.00 O ATOM 212 CB CYS A 14 -2.284 -3.875 1.374 1.00 0.00 C ATOM 213 SG CYS A 14 -1.278 -4.870 0.216 1.00 0.00 S ATOM 0 H CYS A 14 -0.351 -2.825 2.634 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.975 -2.064 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.161 -4.269 2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.337 -3.984 1.116 1.00 0.00 H new ATOM 218 N ILE A 15 -3.264 -0.465 1.573 1.00 0.00 N ATOM 219 CA ILE A 15 -4.168 0.479 2.169 1.00 0.00 C ATOM 220 C ILE A 15 -5.571 0.180 1.671 1.00 0.00 C ATOM 221 O ILE A 15 -5.778 0.051 0.479 1.00 0.00 O ATOM 222 CB ILE A 15 -3.760 1.923 1.768 1.00 0.00 C ATOM 223 CG1 ILE A 15 -2.318 2.203 2.226 1.00 0.00 C ATOM 224 CG2 ILE A 15 -4.726 2.947 2.355 1.00 0.00 C ATOM 225 CD1 ILE A 15 -1.780 3.556 1.816 1.00 0.00 C ATOM 0 H ILE A 15 -2.936 -0.190 0.647 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.133 0.397 3.255 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.807 2.011 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.273 2.122 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.665 1.429 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.417 3.950 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.732 2.753 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.720 2.872 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.759 3.667 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.788 3.636 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.405 4.341 2.242 1.00 0.00 H new ATOM 237 N CYS A 16 -6.504 0.031 2.561 1.00 0.00 N ATOM 238 CA CYS A 16 -7.861 -0.277 2.172 1.00 0.00 C ATOM 239 C CYS A 16 -8.789 0.789 2.727 1.00 0.00 C ATOM 240 O CYS A 16 -8.818 1.031 3.944 1.00 0.00 O ATOM 241 CB CYS A 16 -8.260 -1.663 2.692 1.00 0.00 C ATOM 242 SG CYS A 16 -7.069 -3.004 2.284 1.00 0.00 S ATOM 0 H CYS A 16 -6.358 0.117 3.567 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.937 -0.290 1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.373 -1.612 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.236 -1.924 2.282 1.00 0.00 H new ATOM 247 N GLY A 17 -9.507 1.456 1.858 1.00 0.00 N ATOM 248 CA GLY A 17 -10.393 2.496 2.313 1.00 0.00 C ATOM 249 C GLY A 17 -11.746 2.459 1.652 1.00 0.00 C ATOM 250 O GLY A 17 -12.763 2.291 2.315 1.00 0.00 O ATOM 0 H GLY A 17 -9.497 1.301 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.521 2.408 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.931 3.465 2.125 1.00 0.00 H new