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 -7.442 -2.623 -1.268 1.00 0.00 N ATOM 29 CA CYS A 3 -6.006 -2.571 -1.132 1.00 0.00 C ATOM 30 C CYS A 3 -5.296 -2.423 -2.474 1.00 0.00 C ATOM 31 O CYS A 3 -5.712 -2.997 -3.489 1.00 0.00 O ATOM 32 CB CYS A 3 -5.494 -3.835 -0.434 1.00 0.00 C ATOM 33 SG CYS A 3 -6.224 -4.165 1.209 1.00 0.00 S ATOM 0 HA CYS A 3 -5.780 -1.689 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.689 -4.692 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.412 -3.758 -0.325 1.00 0.00 H new ATOM 38 N ARG A 4 -4.262 -1.629 -2.466 1.00 0.00 N ATOM 39 CA ARG A 4 -3.321 -1.479 -3.574 1.00 0.00 C ATOM 40 C ARG A 4 -1.946 -1.625 -2.971 1.00 0.00 C ATOM 41 O ARG A 4 -1.760 -1.280 -1.810 1.00 0.00 O ATOM 42 CB ARG A 4 -3.434 -0.103 -4.248 1.00 0.00 C ATOM 43 CG ARG A 4 -4.688 0.139 -5.079 1.00 0.00 C ATOM 44 CD ARG A 4 -4.760 -0.792 -6.289 1.00 0.00 C ATOM 45 NE ARG A 4 -5.867 -0.429 -7.190 1.00 0.00 N ATOM 46 CZ ARG A 4 -6.364 -1.196 -8.180 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.856 -2.393 -8.428 1.00 0.00 N ATOM 48 NH2 ARG A 4 -7.369 -0.748 -8.925 1.00 0.00 N ATOM 0 H ARG A 4 -4.031 -1.041 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.528 -2.223 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.383 0.663 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.565 0.036 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.570 -0.007 -4.456 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.705 1.175 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.818 -0.752 -6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.889 -1.820 -5.950 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.296 0.486 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.080 -2.744 -7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.241 -2.964 -9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.763 0.176 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.746 -1.328 -9.675 1.00 0.00 H new ATOM 62 N CYS A 5 -1.000 -2.144 -3.689 1.00 0.00 N ATOM 63 CA CYS A 5 0.290 -2.338 -3.107 1.00 0.00 C ATOM 64 C CYS A 5 1.341 -1.384 -3.669 1.00 0.00 C ATOM 65 O CYS A 5 1.230 -0.917 -4.813 1.00 0.00 O ATOM 66 CB CYS A 5 0.702 -3.808 -3.144 1.00 0.00 C ATOM 67 SG CYS A 5 -0.467 -4.932 -2.250 1.00 0.00 S ATOM 0 H CYS A 5 -1.093 -2.436 -4.662 1.00 0.00 H new ATOM 0 HA CYS A 5 0.217 -2.072 -2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.777 -4.129 -4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.695 -3.909 -2.706 1.00 0.00 H new ATOM 72 N LEU A 6 2.328 -1.081 -2.845 1.00 0.00 N ATOM 73 CA LEU A 6 3.363 -0.109 -3.133 1.00 0.00 C ATOM 74 C LEU A 6 4.733 -0.661 -2.735 1.00 0.00 C ATOM 75 O LEU A 6 4.912 -1.137 -1.618 1.00 0.00 O ATOM 76 CB LEU A 6 3.063 1.190 -2.348 1.00 0.00 C ATOM 77 CG LEU A 6 4.166 2.272 -2.293 1.00 0.00 C ATOM 78 CD1 LEU A 6 4.528 2.790 -3.672 1.00 0.00 C ATOM 79 CD2 LEU A 6 3.746 3.418 -1.383 1.00 0.00 C ATOM 0 H LEU A 6 2.433 -1.519 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 6 3.377 0.104 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.171 1.643 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.815 0.912 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 6 5.059 1.803 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.306 3.548 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.892 1.966 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.646 3.229 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.535 4.170 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.829 3.868 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.573 3.038 -0.376 1.00 0.00 H new ATOM 91 N CYS A 7 5.679 -0.604 -3.634 1.00 0.00 N ATOM 92 CA CYS A 7 7.026 -1.050 -3.342 1.00 0.00 C ATOM 93 C CYS A 7 7.954 0.129 -3.152 1.00 0.00 C ATOM 94 O CYS A 7 8.106 0.963 -4.039 1.00 0.00 O ATOM 95 CB CYS A 7 7.549 -2.023 -4.408 1.00 0.00 C ATOM 96 SG CYS A 7 6.598 -3.587 -4.529 1.00 0.00 S ATOM 0 H CYS A 7 5.546 -0.252 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 7 6.996 -1.603 -2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.533 -1.525 -5.378 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.590 -2.260 -4.188 1.00 0.00 H new ATOM 101 N ARG A 8 8.513 0.240 -1.965 1.00 0.00 N ATOM 102 CA ARG A 8 9.442 1.298 -1.639 1.00 0.00 C ATOM 103 C ARG A 8 10.805 0.722 -1.365 1.00 0.00 C ATOM 104 O ARG A 8 11.039 0.134 -0.309 1.00 0.00 O ATOM 105 CB ARG A 8 8.951 2.127 -0.441 1.00 0.00 C ATOM 106 CG ARG A 8 7.652 2.916 -0.670 1.00 0.00 C ATOM 107 CD ARG A 8 7.801 4.051 -1.704 1.00 0.00 C ATOM 108 NE ARG A 8 8.112 3.571 -3.067 1.00 0.00 N ATOM 109 CZ ARG A 8 8.481 4.340 -4.096 1.00 0.00 C ATOM 110 NH1 ARG A 8 8.436 5.670 -4.000 1.00 0.00 N ATOM 111 NH2 ARG A 8 8.863 3.763 -5.232 1.00 0.00 N ATOM 0 H ARG A 8 8.334 -0.406 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 8 9.508 1.968 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.804 1.457 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.737 2.828 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.873 2.230 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.320 3.339 0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.877 4.629 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.590 4.728 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 8 8.039 2.568 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.118 6.108 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.720 6.248 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.872 2.746 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.147 4.338 -6.025 1.00 0.00 H new ATOM 125 N ARG A 9 11.669 0.831 -2.363 1.00 0.00 N ATOM 126 CA ARG A 9 13.060 0.380 -2.300 1.00 0.00 C ATOM 127 C ARG A 9 13.134 -1.111 -1.889 1.00 0.00 C ATOM 128 O ARG A 9 13.921 -1.530 -1.024 1.00 0.00 O ATOM 129 CB ARG A 9 13.866 1.309 -1.366 1.00 0.00 C ATOM 130 CG ARG A 9 15.368 1.080 -1.364 1.00 0.00 C ATOM 131 CD ARG A 9 16.065 2.115 -0.514 1.00 0.00 C ATOM 132 NE ARG A 9 17.512 1.898 -0.459 1.00 0.00 N ATOM 133 CZ ARG A 9 18.383 2.704 0.153 1.00 0.00 C ATOM 134 NH1 ARG A 9 17.977 3.855 0.683 1.00 0.00 N ATOM 135 NH2 ARG A 9 19.665 2.374 0.189 1.00 0.00 N ATOM 0 H ARG A 9 11.421 1.244 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 9 13.515 0.444 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.673 2.343 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.495 1.186 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.588 0.082 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.749 1.124 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.863 3.108 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.656 2.089 0.496 1.00 0.00 H new ATOM 0 HE ARG A 9 17.883 1.069 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.995 4.126 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.647 4.466 1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.981 1.509 -0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.336 2.985 0.655 1.00 0.00 H new ATOM 149 N GLY A 10 12.263 -1.892 -2.490 1.00 0.00 N ATOM 150 CA GLY A 10 12.217 -3.312 -2.235 1.00 0.00 C ATOM 151 C GLY A 10 11.166 -3.700 -1.214 1.00 0.00 C ATOM 152 O GLY A 10 10.641 -4.817 -1.253 1.00 0.00 O ATOM 0 H GLY A 10 11.572 -1.562 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.018 -3.836 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.195 -3.644 -1.885 1.00 0.00 H new ATOM 156 N ASP A 11 10.838 -2.786 -0.317 1.00 0.00 N ATOM 157 CA ASP A 11 9.848 -3.070 0.714 1.00 0.00 C ATOM 158 C ASP A 11 8.469 -2.859 0.155 1.00 0.00 C ATOM 159 O ASP A 11 8.025 -1.718 -0.051 1.00 0.00 O ATOM 160 CB ASP A 11 10.062 -2.211 1.977 1.00 0.00 C ATOM 161 CG ASP A 11 9.013 -2.463 3.064 1.00 0.00 C ATOM 162 OD1 ASP A 11 8.634 -3.625 3.281 1.00 0.00 O ATOM 163 OD2 ASP A 11 8.553 -1.487 3.723 1.00 0.00 O ATOM 0 H ASP A 11 11.237 -1.848 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 11 9.964 -4.110 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.053 -2.415 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.042 -1.157 1.699 1.00 0.00 H new ATOM 168 N CYS A 12 7.820 -3.940 -0.164 1.00 0.00 N ATOM 169 CA CYS A 12 6.501 -3.873 -0.698 1.00 0.00 C ATOM 170 C CYS A 12 5.505 -3.965 0.398 1.00 0.00 C ATOM 171 O CYS A 12 5.482 -4.917 1.191 1.00 0.00 O ATOM 172 CB CYS A 12 6.259 -4.899 -1.773 1.00 0.00 C ATOM 173 SG CYS A 12 7.465 -4.832 -3.161 1.00 0.00 S ATOM 0 H CYS A 12 8.191 -4.885 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 12 6.386 -2.906 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.291 -5.893 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.254 -4.761 -2.172 1.00 0.00 H new ATOM 178 N ARG A 13 4.725 -2.970 0.445 1.00 0.00 N ATOM 179 CA ARG A 13 3.744 -2.753 1.458 1.00 0.00 C ATOM 180 C ARG A 13 2.430 -2.631 0.760 1.00 0.00 C ATOM 181 O ARG A 13 2.401 -2.450 -0.461 1.00 0.00 O ATOM 182 CB ARG A 13 4.046 -1.432 2.157 1.00 0.00 C ATOM 183 CG ARG A 13 5.490 -1.281 2.582 1.00 0.00 C ATOM 184 CD ARG A 13 5.732 0.015 3.308 1.00 0.00 C ATOM 185 NE ARG A 13 4.998 0.065 4.568 1.00 0.00 N ATOM 186 CZ ARG A 13 5.535 -0.192 5.760 1.00 0.00 C ATOM 187 NH1 ARG A 13 6.793 -0.656 5.846 1.00 0.00 N ATOM 188 NH2 ARG A 13 4.805 -0.025 6.857 1.00 0.00 N ATOM 0 H ARG A 13 4.741 -2.230 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 13 3.738 -3.562 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.786 -0.611 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.407 -1.343 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.767 -2.115 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.133 -1.330 1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.798 0.132 3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.430 0.850 2.676 1.00 0.00 H new ATOM 0 HE ARG A 13 4.009 0.313 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.338 -0.812 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.203 -0.852 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.840 0.298 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.209 -0.220 7.773 1.00 0.00 H new ATOM 202 N CYS A 14 1.360 -2.720 1.468 1.00 0.00 N ATOM 203 CA CYS A 14 0.102 -2.558 0.850 1.00 0.00 C ATOM 204 C CYS A 14 -0.723 -1.548 1.584 1.00 0.00 C ATOM 205 O CYS A 14 -0.758 -1.515 2.818 1.00 0.00 O ATOM 206 CB CYS A 14 -0.627 -3.877 0.662 1.00 0.00 C ATOM 207 SG CYS A 14 0.291 -5.119 -0.358 1.00 0.00 S ATOM 0 H CYS A 14 1.335 -2.903 2.471 1.00 0.00 H new ATOM 0 HA CYS A 14 0.276 -2.173 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.830 -4.309 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.592 -3.682 0.193 1.00 0.00 H new ATOM 212 N ILE A 15 -1.343 -0.715 0.826 1.00 0.00 N ATOM 213 CA ILE A 15 -2.150 0.351 1.320 1.00 0.00 C ATOM 214 C ILE A 15 -3.588 -0.084 1.237 1.00 0.00 C ATOM 215 O ILE A 15 -4.105 -0.345 0.137 1.00 0.00 O ATOM 216 CB ILE A 15 -1.965 1.634 0.459 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.479 2.021 0.381 1.00 0.00 C ATOM 218 CG2 ILE A 15 -2.790 2.790 1.033 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.195 3.180 -0.553 1.00 0.00 C ATOM 0 H ILE A 15 -1.303 -0.756 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.859 0.579 2.345 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.320 1.425 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.128 2.278 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.095 1.154 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.648 3.679 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.845 2.517 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.465 2.998 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.874 3.393 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.514 2.920 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.740 4.061 -0.216 1.00 0.00 H new ATOM 231 N CYS A 16 -4.212 -0.223 2.356 1.00 0.00 N ATOM 232 CA CYS A 16 -5.584 -0.585 2.376 1.00 0.00 C ATOM 233 C CYS A 16 -6.375 0.528 2.996 1.00 0.00 C ATOM 234 O CYS A 16 -5.990 1.097 4.029 1.00 0.00 O ATOM 235 CB CYS A 16 -5.818 -1.871 3.144 1.00 0.00 C ATOM 236 SG CYS A 16 -4.912 -3.323 2.506 1.00 0.00 S ATOM 0 H CYS A 16 -3.789 -0.090 3.274 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.907 -0.754 1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.535 -1.712 4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.885 -2.094 3.135 1.00 0.00 H new