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 -11.207 -2.738 -1.370 1.00 0.00 N ATOM 9 CA ILE A 2 -10.085 -2.545 -2.234 1.00 0.00 C ATOM 10 C ILE A 2 -9.070 -1.656 -1.548 1.00 0.00 C ATOM 11 O ILE A 2 -9.427 -0.832 -0.675 1.00 0.00 O ATOM 12 CB ILE A 2 -10.541 -1.935 -3.590 1.00 0.00 C ATOM 13 CG1 ILE A 2 -9.383 -1.820 -4.605 1.00 0.00 C ATOM 14 CG2 ILE A 2 -11.248 -0.590 -3.390 1.00 0.00 C ATOM 15 CD1 ILE A 2 -9.794 -1.286 -5.967 1.00 0.00 C ATOM 0 HA ILE A 2 -9.620 -3.508 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.263 -2.630 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.615 -1.168 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.931 -2.803 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.553 -0.192 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -12.128 -0.731 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.567 0.111 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.921 -1.238 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.539 -1.949 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.218 -0.288 -5.854 1.00 0.00 H new ATOM 27 N CYS A 3 -7.840 -1.844 -1.895 1.00 0.00 N ATOM 28 CA CYS A 3 -6.767 -1.099 -1.331 1.00 0.00 C ATOM 29 C CYS A 3 -5.886 -0.527 -2.421 1.00 0.00 C ATOM 30 O CYS A 3 -5.785 -1.082 -3.525 1.00 0.00 O ATOM 31 CB CYS A 3 -5.939 -1.976 -0.403 1.00 0.00 C ATOM 32 SG CYS A 3 -6.889 -2.797 0.936 1.00 0.00 S ATOM 0 H CYS A 3 -7.549 -2.531 -2.590 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.191 -0.277 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.442 -2.742 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.157 -1.365 0.048 1.00 0.00 H new ATOM 37 N ARG A 4 -5.284 0.583 -2.121 1.00 0.00 N ATOM 38 CA ARG A 4 -4.369 1.256 -3.007 1.00 0.00 C ATOM 39 C ARG A 4 -2.983 1.110 -2.412 1.00 0.00 C ATOM 40 O ARG A 4 -2.687 1.687 -1.351 1.00 0.00 O ATOM 41 CB ARG A 4 -4.749 2.732 -3.122 1.00 0.00 C ATOM 42 CG ARG A 4 -3.920 3.522 -4.121 1.00 0.00 C ATOM 43 CD ARG A 4 -4.360 4.974 -4.157 1.00 0.00 C ATOM 44 NE ARG A 4 -5.785 5.125 -4.494 1.00 0.00 N ATOM 45 CZ ARG A 4 -6.565 6.145 -4.094 1.00 0.00 C ATOM 46 NH1 ARG A 4 -6.055 7.136 -3.366 1.00 0.00 N ATOM 47 NH2 ARG A 4 -7.843 6.176 -4.438 1.00 0.00 N ATOM 0 H ARG A 4 -5.416 1.063 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.402 0.825 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.799 2.802 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.651 3.196 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.865 3.463 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.021 3.082 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.169 5.432 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.758 5.514 -4.888 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.212 4.403 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.068 7.124 -3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.651 7.907 -3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.236 5.426 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.434 6.950 -4.134 1.00 0.00 H new ATOM 61 N CYS A 5 -2.166 0.325 -3.042 1.00 0.00 N ATOM 62 CA CYS A 5 -0.884 -0.005 -2.526 1.00 0.00 C ATOM 63 C CYS A 5 0.238 0.657 -3.296 1.00 0.00 C ATOM 64 O CYS A 5 0.472 0.344 -4.458 1.00 0.00 O ATOM 65 CB CYS A 5 -0.726 -1.511 -2.564 1.00 0.00 C ATOM 66 SG CYS A 5 -1.986 -2.408 -1.602 1.00 0.00 S ATOM 0 H CYS A 5 -2.378 -0.108 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.819 0.365 -1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.768 -1.845 -3.601 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.262 -1.773 -2.185 1.00 0.00 H new ATOM 71 N ILE A 6 0.920 1.576 -2.650 1.00 0.00 N ATOM 72 CA ILE A 6 2.075 2.183 -3.221 1.00 0.00 C ATOM 73 C ILE A 6 3.253 1.366 -2.759 1.00 0.00 C ATOM 74 O ILE A 6 3.227 0.832 -1.649 1.00 0.00 O ATOM 75 CB ILE A 6 2.268 3.676 -2.799 1.00 0.00 C ATOM 76 CG1 ILE A 6 2.460 3.811 -1.274 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.089 4.517 -3.279 1.00 0.00 C ATOM 78 CD1 ILE A 6 2.788 5.214 -0.806 1.00 0.00 C ATOM 0 H ILE A 6 0.681 1.915 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 6 1.970 2.198 -4.306 1.00 0.00 H new ATOM 0 HB ILE A 6 3.176 4.048 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.550 3.478 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.260 3.140 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.236 5.554 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.020 4.460 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.168 4.138 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.906 5.218 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.715 5.546 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.979 5.889 -1.085 1.00 0.00 H new ATOM 90 N CYS A 7 4.233 1.218 -3.566 1.00 0.00 N ATOM 91 CA CYS A 7 5.367 0.429 -3.191 1.00 0.00 C ATOM 92 C CYS A 7 6.640 1.219 -3.361 1.00 0.00 C ATOM 93 O CYS A 7 6.717 2.090 -4.227 1.00 0.00 O ATOM 94 CB CYS A 7 5.401 -0.860 -4.002 1.00 0.00 C ATOM 95 SG CYS A 7 3.903 -1.905 -3.835 1.00 0.00 S ATOM 0 H CYS A 7 4.284 1.630 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 7 5.281 0.163 -2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.538 -0.609 -5.054 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.271 -1.443 -3.698 1.00 0.00 H new ATOM 100 N GLY A 8 7.604 0.958 -2.512 1.00 0.00 N ATOM 101 CA GLY A 8 8.870 1.644 -2.589 1.00 0.00 C ATOM 102 C GLY A 8 9.932 0.750 -3.139 1.00 0.00 C ATOM 103 O GLY A 8 9.889 0.378 -4.316 1.00 0.00 O ATOM 0 H GLY A 8 7.535 0.274 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.771 2.527 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.160 1.991 -1.597 1.00 0.00 H new ATOM 107 N ARG A 9 10.863 0.376 -2.286 1.00 0.00 N ATOM 108 CA ARG A 9 11.939 -0.516 -2.663 1.00 0.00 C ATOM 109 C ARG A 9 11.423 -1.933 -2.825 1.00 0.00 C ATOM 110 O ARG A 9 11.908 -2.681 -3.656 1.00 0.00 O ATOM 111 CB ARG A 9 13.106 -0.464 -1.652 1.00 0.00 C ATOM 112 CG ARG A 9 12.712 -0.695 -0.196 1.00 0.00 C ATOM 113 CD ARG A 9 13.923 -0.720 0.721 1.00 0.00 C ATOM 114 NE ARG A 9 14.773 -1.900 0.499 1.00 0.00 N ATOM 115 CZ ARG A 9 16.049 -2.013 0.896 1.00 0.00 C ATOM 116 NH1 ARG A 9 16.658 -0.991 1.490 1.00 0.00 N ATOM 117 NH2 ARG A 9 16.710 -3.150 0.699 1.00 0.00 N ATOM 0 H ARG A 9 10.895 0.681 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 9 12.329 -0.178 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.845 -1.213 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.591 0.509 -1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.030 0.092 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.173 -1.638 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.513 0.183 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.589 -0.706 1.759 1.00 0.00 H new ATOM 0 HE ARG A 9 14.361 -2.692 0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.155 -0.118 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.629 -1.081 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.247 -3.937 0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.680 -3.235 1.001 1.00 0.00 H new ATOM 131 N ARG A 10 10.413 -2.278 -2.039 1.00 0.00 N ATOM 132 CA ARG A 10 9.795 -3.599 -2.107 1.00 0.00 C ATOM 133 C ARG A 10 8.581 -3.624 -1.238 1.00 0.00 C ATOM 134 O ARG A 10 7.549 -4.203 -1.584 1.00 0.00 O ATOM 135 CB ARG A 10 10.758 -4.712 -1.679 1.00 0.00 C ATOM 136 CG ARG A 10 10.224 -6.122 -1.888 1.00 0.00 C ATOM 137 CD ARG A 10 9.946 -6.388 -3.356 1.00 0.00 C ATOM 138 NE ARG A 10 9.473 -7.755 -3.611 1.00 0.00 N ATOM 139 CZ ARG A 10 8.617 -8.088 -4.588 1.00 0.00 C ATOM 140 NH1 ARG A 10 8.110 -7.142 -5.377 1.00 0.00 N ATOM 141 NH2 ARG A 10 8.279 -9.364 -4.780 1.00 0.00 N ATOM 0 H ARG A 10 10.000 -1.658 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 10 9.522 -3.784 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.689 -4.603 -2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.999 -4.581 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.947 -6.847 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.309 -6.257 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.200 -5.678 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.855 -6.211 -3.930 1.00 0.00 H new ATOM 0 HE ARG A 10 9.818 -8.500 -3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.373 -6.166 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.459 -7.393 -6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.672 -10.091 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.627 -9.613 -5.524 1.00 0.00 H new ATOM 155 N ILE A 11 8.711 -2.998 -0.124 1.00 0.00 N ATOM 156 CA ILE A 11 7.644 -2.923 0.847 1.00 0.00 C ATOM 157 C ILE A 11 6.580 -1.987 0.299 1.00 0.00 C ATOM 158 O ILE A 11 6.903 -0.991 -0.390 1.00 0.00 O ATOM 159 CB ILE A 11 8.141 -2.379 2.218 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.444 -3.074 2.668 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.057 -2.515 3.291 1.00 0.00 C ATOM 162 CD1 ILE A 11 9.349 -4.583 2.826 1.00 0.00 C ATOM 0 H ILE A 11 9.564 -2.514 0.156 1.00 0.00 H new ATOM 0 HA ILE A 11 7.251 -3.926 1.014 1.00 0.00 H new ATOM 0 HB ILE A 11 8.359 -1.319 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.226 -2.849 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.757 -2.644 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.432 -2.127 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.175 -1.949 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.791 -3.566 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.314 -4.977 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.594 -4.824 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.071 -5.032 1.872 1.00 0.00 H new ATOM 174 N CYS A 12 5.363 -2.296 0.571 1.00 0.00 N ATOM 175 CA CYS A 12 4.268 -1.534 0.067 1.00 0.00 C ATOM 176 C CYS A 12 3.440 -0.982 1.194 1.00 0.00 C ATOM 177 O CYS A 12 3.491 -1.474 2.327 1.00 0.00 O ATOM 178 CB CYS A 12 3.405 -2.365 -0.870 1.00 0.00 C ATOM 179 SG CYS A 12 4.319 -3.123 -2.266 1.00 0.00 S ATOM 0 H CYS A 12 5.093 -3.089 1.153 1.00 0.00 H new ATOM 0 HA CYS A 12 4.678 -0.700 -0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.923 -3.156 -0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.612 -1.733 -1.271 1.00 0.00 H new ATOM 184 N ARG A 13 2.691 0.024 0.878 1.00 0.00 N ATOM 185 CA ARG A 13 1.852 0.705 1.809 1.00 0.00 C ATOM 186 C ARG A 13 0.464 0.788 1.216 1.00 0.00 C ATOM 187 O ARG A 13 0.236 1.497 0.215 1.00 0.00 O ATOM 188 CB ARG A 13 2.419 2.089 2.080 1.00 0.00 C ATOM 189 CG ARG A 13 1.695 2.889 3.144 1.00 0.00 C ATOM 190 CD ARG A 13 2.417 4.199 3.384 1.00 0.00 C ATOM 191 NE ARG A 13 3.809 3.971 3.807 1.00 0.00 N ATOM 192 CZ ARG A 13 4.885 4.613 3.321 1.00 0.00 C ATOM 193 NH1 ARG A 13 4.747 5.565 2.404 1.00 0.00 N ATOM 194 NH2 ARG A 13 6.098 4.302 3.759 1.00 0.00 N ATOM 0 H ARG A 13 2.645 0.407 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 13 1.805 0.171 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.463 1.984 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.406 2.657 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.669 3.081 2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.644 2.317 4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.405 4.796 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.891 4.772 4.148 1.00 0.00 H new ATOM 0 HE ARG A 13 3.970 3.268 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.818 5.814 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.570 6.047 2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.214 3.575 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.914 4.790 3.390 1.00 0.00 H new ATOM 208 N CYS A 14 -0.427 0.034 1.772 1.00 0.00 N ATOM 209 CA CYS A 14 -1.760 -0.057 1.291 1.00 0.00 C ATOM 210 C CYS A 14 -2.717 0.745 2.138 1.00 0.00 C ATOM 211 O CYS A 14 -2.775 0.576 3.355 1.00 0.00 O ATOM 212 CB CYS A 14 -2.181 -1.514 1.287 1.00 0.00 C ATOM 213 SG CYS A 14 -1.153 -2.584 0.235 1.00 0.00 S ATOM 0 H CYS A 14 -0.241 -0.546 2.590 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.790 0.354 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.152 -1.892 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.216 -1.581 0.952 1.00 0.00 H new ATOM 218 N ILE A 15 -3.432 1.634 1.503 1.00 0.00 N ATOM 219 CA ILE A 15 -4.497 2.346 2.151 1.00 0.00 C ATOM 220 C ILE A 15 -5.790 1.791 1.562 1.00 0.00 C ATOM 221 O ILE A 15 -5.882 1.586 0.343 1.00 0.00 O ATOM 222 CB ILE A 15 -4.377 3.903 1.976 1.00 0.00 C ATOM 223 CG1 ILE A 15 -5.473 4.630 2.778 1.00 0.00 C ATOM 224 CG2 ILE A 15 -4.410 4.317 0.499 1.00 0.00 C ATOM 225 CD1 ILE A 15 -5.339 6.141 2.787 1.00 0.00 C ATOM 0 H ILE A 15 -3.292 1.884 0.524 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.463 2.197 3.230 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.407 4.202 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.446 4.365 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.455 4.269 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.324 5.401 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.579 3.849 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.350 3.995 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.149 6.575 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.382 6.419 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.389 6.517 1.765 1.00 0.00 H new ATOM 237 N CYS A 16 -6.729 1.471 2.387 1.00 0.00 N ATOM 238 CA CYS A 16 -7.917 0.802 1.924 1.00 0.00 C ATOM 239 C CYS A 16 -9.153 1.641 2.137 1.00 0.00 C ATOM 240 O CYS A 16 -9.216 2.448 3.075 1.00 0.00 O ATOM 241 CB CYS A 16 -8.065 -0.542 2.640 1.00 0.00 C ATOM 242 SG CYS A 16 -6.580 -1.617 2.556 1.00 0.00 S ATOM 0 H CYS A 16 -6.705 1.659 3.389 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.812 0.638 0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.305 -0.357 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.911 -1.078 2.209 1.00 0.00 H new ATOM 247 N GLY A 17 -10.109 1.493 1.245 1.00 0.00 N ATOM 248 CA GLY A 17 -11.376 2.140 1.415 1.00 0.00 C ATOM 249 C GLY A 17 -12.330 1.121 1.932 1.00 0.00 C ATOM 250 O GLY A 17 -12.485 0.953 3.143 1.00 0.00 O ATOM 0 H GLY A 17 -10.026 0.930 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.291 2.974 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.728 2.550 0.468 1.00 0.00 H new