USER MOD reduce.3.24.130724 H: found=0, std=0, add=104, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 105 hydrogens (0 hets) ATOM 28 N CYS A 3 -7.387 -2.038 -1.559 1.00 0.00 N ATOM 29 CA CYS A 3 -5.961 -2.106 -1.363 1.00 0.00 C ATOM 30 C CYS A 3 -5.193 -1.825 -2.630 1.00 0.00 C ATOM 31 O CYS A 3 -5.581 -2.238 -3.724 1.00 0.00 O ATOM 32 CB CYS A 3 -5.539 -3.471 -0.814 1.00 0.00 C ATOM 33 SG CYS A 3 -6.173 -3.870 0.850 1.00 0.00 S ATOM 0 HA CYS A 3 -5.720 -1.331 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.874 -4.243 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.450 -3.514 -0.790 1.00 0.00 H new ATOM 38 N ARG A 4 -4.133 -1.100 -2.475 1.00 0.00 N ATOM 39 CA ARG A 4 -3.173 -0.854 -3.517 1.00 0.00 C ATOM 40 C ARG A 4 -1.820 -1.107 -2.954 1.00 0.00 C ATOM 41 O ARG A 4 -1.511 -0.632 -1.869 1.00 0.00 O ATOM 42 CB ARG A 4 -3.271 0.571 -4.085 1.00 0.00 C ATOM 43 CG ARG A 4 -4.386 0.767 -5.103 1.00 0.00 C ATOM 44 CD ARG A 4 -4.217 -0.203 -6.273 1.00 0.00 C ATOM 45 NE ARG A 4 -2.859 -0.128 -6.838 1.00 0.00 N ATOM 46 CZ ARG A 4 -2.099 -1.177 -7.195 1.00 0.00 C ATOM 47 NH1 ARG A 4 -2.576 -2.418 -7.120 1.00 0.00 N ATOM 48 NH2 ARG A 4 -0.863 -0.980 -7.633 1.00 0.00 N ATOM 0 H ARG A 4 -3.898 -0.645 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.377 -1.522 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.422 1.268 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.320 0.829 -4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.354 0.608 -4.627 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.376 1.794 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.418 -1.220 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.949 0.027 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.461 0.802 -6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.527 -2.580 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.990 -3.207 -7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.490 -0.033 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.285 -1.776 -7.904 1.00 0.00 H new ATOM 62 N CYS A 5 -1.025 -1.871 -3.625 1.00 0.00 N ATOM 63 CA CYS A 5 0.244 -2.201 -3.080 1.00 0.00 C ATOM 64 C CYS A 5 1.346 -1.466 -3.780 1.00 0.00 C ATOM 65 O CYS A 5 1.278 -1.221 -4.981 1.00 0.00 O ATOM 66 CB CYS A 5 0.479 -3.701 -3.071 1.00 0.00 C ATOM 67 SG CYS A 5 -0.845 -4.655 -2.224 1.00 0.00 S ATOM 0 H CYS A 5 -1.229 -2.273 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 5 0.248 -1.875 -2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.565 -4.052 -4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.431 -3.907 -2.583 1.00 0.00 H new ATOM 72 N LEU A 6 2.327 -1.101 -3.016 1.00 0.00 N ATOM 73 CA LEU A 6 3.454 -0.365 -3.510 1.00 0.00 C ATOM 74 C LEU A 6 4.739 -0.962 -2.971 1.00 0.00 C ATOM 75 O LEU A 6 4.868 -1.207 -1.758 1.00 0.00 O ATOM 76 CB LEU A 6 3.345 1.117 -3.091 1.00 0.00 C ATOM 77 CG LEU A 6 4.506 2.042 -3.503 1.00 0.00 C ATOM 78 CD1 LEU A 6 4.626 2.144 -5.019 1.00 0.00 C ATOM 79 CD2 LEU A 6 4.337 3.418 -2.881 1.00 0.00 C ATOM 0 H LEU A 6 2.371 -1.307 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 6 3.464 -0.424 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.423 1.522 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.247 1.157 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 6 5.431 1.604 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.455 2.804 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.808 1.154 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.701 2.547 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.166 4.058 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.398 3.857 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.325 3.327 -1.795 1.00 0.00 H new ATOM 91 N CYS A 7 5.658 -1.234 -3.853 1.00 0.00 N ATOM 92 CA CYS A 7 6.964 -1.682 -3.463 1.00 0.00 C ATOM 93 C CYS A 7 7.915 -0.528 -3.572 1.00 0.00 C ATOM 94 O CYS A 7 8.156 -0.008 -4.656 1.00 0.00 O ATOM 95 CB CYS A 7 7.433 -2.889 -4.276 1.00 0.00 C ATOM 96 SG CYS A 7 6.404 -4.389 -4.047 1.00 0.00 S ATOM 0 H CYS A 7 5.523 -1.152 -4.861 1.00 0.00 H new ATOM 0 HA CYS A 7 6.928 -2.027 -2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.438 -2.622 -5.333 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.462 -3.121 -4.001 1.00 0.00 H new ATOM 101 N ARG A 8 8.392 -0.095 -2.449 1.00 0.00 N ATOM 102 CA ARG A 8 9.255 1.044 -2.360 1.00 0.00 C ATOM 103 C ARG A 8 10.611 0.624 -1.827 1.00 0.00 C ATOM 104 O ARG A 8 10.743 0.307 -0.647 1.00 0.00 O ATOM 105 CB ARG A 8 8.597 2.092 -1.443 1.00 0.00 C ATOM 106 CG ARG A 8 9.393 3.366 -1.183 1.00 0.00 C ATOM 107 CD ARG A 8 9.667 4.160 -2.447 1.00 0.00 C ATOM 108 NE ARG A 8 10.355 5.427 -2.153 1.00 0.00 N ATOM 109 CZ ARG A 8 11.284 6.001 -2.931 1.00 0.00 C ATOM 110 NH1 ARG A 8 11.682 5.403 -4.052 1.00 0.00 N ATOM 111 NH2 ARG A 8 11.813 7.159 -2.579 1.00 0.00 N ATOM 0 H ARG A 8 8.190 -0.530 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 8 9.406 1.481 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.638 2.372 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.385 1.620 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.846 3.992 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.340 3.106 -0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.276 3.564 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.727 4.366 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 8 10.105 5.907 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.280 4.505 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.389 5.843 -4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.515 7.615 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.520 7.597 -3.169 1.00 0.00 H new ATOM 125 N ARG A 9 11.591 0.532 -2.729 1.00 0.00 N ATOM 126 CA ARG A 9 12.997 0.248 -2.379 1.00 0.00 C ATOM 127 C ARG A 9 13.157 -1.184 -1.786 1.00 0.00 C ATOM 128 O ARG A 9 14.129 -1.500 -1.095 1.00 0.00 O ATOM 129 CB ARG A 9 13.497 1.344 -1.408 1.00 0.00 C ATOM 130 CG ARG A 9 14.967 1.317 -1.040 1.00 0.00 C ATOM 131 CD ARG A 9 15.237 2.383 -0.016 1.00 0.00 C ATOM 132 NE ARG A 9 16.618 2.400 0.453 1.00 0.00 N ATOM 133 CZ ARG A 9 16.975 2.739 1.696 1.00 0.00 C ATOM 134 NH1 ARG A 9 16.047 2.904 2.638 1.00 0.00 N ATOM 135 NH2 ARG A 9 18.252 2.872 2.002 1.00 0.00 N ATOM 0 H ARG A 9 11.437 0.652 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 9 13.611 0.269 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.276 2.315 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.916 1.273 -0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.238 0.338 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.580 1.483 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.994 3.356 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.574 2.234 0.836 1.00 0.00 H new ATOM 0 HE ARG A 9 17.353 2.139 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.061 2.772 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.322 3.163 3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.966 2.716 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.525 3.131 2.950 1.00 0.00 H new ATOM 149 N GLY A 10 12.218 -2.039 -2.083 1.00 0.00 N ATOM 150 CA GLY A 10 12.255 -3.396 -1.585 1.00 0.00 C ATOM 151 C GLY A 10 11.197 -3.625 -0.536 1.00 0.00 C ATOM 152 O GLY A 10 10.867 -4.763 -0.200 1.00 0.00 O ATOM 0 H GLY A 10 11.412 -1.824 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.108 -4.092 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.239 -3.604 -1.164 1.00 0.00 H new ATOM 156 N ASP A 11 10.662 -2.544 -0.020 1.00 0.00 N ATOM 157 CA ASP A 11 9.618 -2.611 0.973 1.00 0.00 C ATOM 158 C ASP A 11 8.275 -2.662 0.290 1.00 0.00 C ATOM 159 O ASP A 11 7.775 -1.648 -0.201 1.00 0.00 O ATOM 160 CB ASP A 11 9.684 -1.404 1.924 1.00 0.00 C ATOM 161 CG ASP A 11 8.564 -1.386 2.958 1.00 0.00 C ATOM 162 OD1 ASP A 11 8.678 -2.058 4.012 1.00 0.00 O ATOM 163 OD2 ASP A 11 7.570 -0.677 2.770 1.00 0.00 O ATOM 0 H ASP A 11 10.938 -1.596 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 11 9.759 -3.515 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.644 -1.409 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.642 -0.486 1.338 1.00 0.00 H new ATOM 168 N CYS A 12 7.732 -3.831 0.176 1.00 0.00 N ATOM 169 CA CYS A 12 6.416 -3.971 -0.361 1.00 0.00 C ATOM 170 C CYS A 12 5.436 -3.843 0.745 1.00 0.00 C ATOM 171 O CYS A 12 5.576 -4.463 1.813 1.00 0.00 O ATOM 172 CB CYS A 12 6.228 -5.258 -1.127 1.00 0.00 C ATOM 173 SG CYS A 12 7.345 -5.435 -2.574 1.00 0.00 S ATOM 0 H CYS A 12 8.181 -4.706 0.448 1.00 0.00 H new ATOM 0 HA CYS A 12 6.254 -3.177 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.389 -6.098 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.195 -5.318 -1.469 1.00 0.00 H new ATOM 178 N ARG A 13 4.499 -3.016 0.525 1.00 0.00 N ATOM 179 CA ARG A 13 3.528 -2.681 1.511 1.00 0.00 C ATOM 180 C ARG A 13 2.246 -2.390 0.808 1.00 0.00 C ATOM 181 O ARG A 13 2.256 -1.920 -0.340 1.00 0.00 O ATOM 182 CB ARG A 13 3.994 -1.429 2.239 1.00 0.00 C ATOM 183 CG ARG A 13 3.231 -1.099 3.507 1.00 0.00 C ATOM 184 CD ARG A 13 3.770 0.170 4.131 1.00 0.00 C ATOM 185 NE ARG A 13 5.223 0.111 4.314 1.00 0.00 N ATOM 186 CZ ARG A 13 5.943 0.925 5.072 1.00 0.00 C ATOM 187 NH1 ARG A 13 5.361 1.902 5.760 1.00 0.00 N ATOM 188 NH2 ARG A 13 7.247 0.766 5.125 1.00 0.00 N ATOM 0 H ARG A 13 4.371 -2.533 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 13 3.395 -3.495 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.049 -1.544 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.918 -0.582 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.171 -0.979 3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.315 -1.924 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.517 1.022 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.288 0.334 5.095 1.00 0.00 H new ATOM 0 HE ARG A 13 5.725 -0.622 3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.351 2.031 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.925 2.523 6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.692 0.023 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.813 1.386 5.705 1.00 0.00 H new ATOM 202 N CYS A 14 1.163 -2.669 1.430 1.00 0.00 N ATOM 203 CA CYS A 14 -0.071 -2.368 0.831 1.00 0.00 C ATOM 204 C CYS A 14 -0.778 -1.282 1.583 1.00 0.00 C ATOM 205 O CYS A 14 -0.810 -1.253 2.823 1.00 0.00 O ATOM 206 CB CYS A 14 -0.948 -3.592 0.647 1.00 0.00 C ATOM 207 SG CYS A 14 -0.161 -4.931 -0.325 1.00 0.00 S ATOM 0 H CYS A 14 1.110 -3.104 2.351 1.00 0.00 H new ATOM 0 HA CYS A 14 0.142 -2.000 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.222 -3.981 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.873 -3.293 0.153 1.00 0.00 H new ATOM 212 N ILE A 15 -1.295 -0.383 0.836 1.00 0.00 N ATOM 213 CA ILE A 15 -2.056 0.706 1.345 1.00 0.00 C ATOM 214 C ILE A 15 -3.501 0.331 1.173 1.00 0.00 C ATOM 215 O ILE A 15 -3.987 0.179 0.039 1.00 0.00 O ATOM 216 CB ILE A 15 -1.756 2.028 0.572 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.253 2.388 0.649 1.00 0.00 C ATOM 218 CG2 ILE A 15 -2.615 3.182 1.093 1.00 0.00 C ATOM 219 CD1 ILE A 15 0.283 2.604 2.060 1.00 0.00 C ATOM 0 H ILE A 15 -1.201 -0.379 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.803 0.887 2.390 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.013 1.863 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.321 1.592 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.081 3.294 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.383 4.089 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.669 2.937 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.405 3.343 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.343 2.852 2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.260 3.422 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.149 1.693 2.644 1.00 0.00 H new ATOM 231 N CYS A 16 -4.158 0.099 2.259 1.00 0.00 N ATOM 232 CA CYS A 16 -5.529 -0.298 2.220 1.00 0.00 C ATOM 233 C CYS A 16 -6.387 0.721 2.898 1.00 0.00 C ATOM 234 O CYS A 16 -5.966 1.364 3.872 1.00 0.00 O ATOM 235 CB CYS A 16 -5.726 -1.662 2.871 1.00 0.00 C ATOM 236 SG CYS A 16 -4.801 -3.024 2.085 1.00 0.00 S ATOM 0 H CYS A 16 -3.764 0.178 3.196 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.825 -0.373 1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.429 -1.596 3.918 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.788 -1.906 2.856 1.00 0.00 H new