USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 128 hydrogens (0 hets) ATOM 8 N VAL A 2 -10.302 -2.457 -1.292 1.00 0.00 N ATOM 9 CA VAL A 2 -9.400 -2.441 -2.430 1.00 0.00 C ATOM 10 C VAL A 2 -7.980 -2.333 -1.919 1.00 0.00 C ATOM 11 O VAL A 2 -7.581 -1.302 -1.409 1.00 0.00 O ATOM 12 CB VAL A 2 -9.696 -1.255 -3.390 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.778 -1.297 -4.607 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.157 -1.263 -3.825 1.00 0.00 C ATOM 0 HA VAL A 2 -9.542 -3.363 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.503 -0.329 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.005 -0.457 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.740 -1.233 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.932 -2.231 -5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.341 -0.424 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.378 -2.197 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.798 -1.174 -2.948 1.00 0.00 H new ATOM 24 N CYS A 3 -7.239 -3.382 -2.023 1.00 0.00 N ATOM 25 CA CYS A 3 -5.901 -3.378 -1.511 1.00 0.00 C ATOM 26 C CYS A 3 -4.888 -3.328 -2.626 1.00 0.00 C ATOM 27 O CYS A 3 -5.008 -4.049 -3.633 1.00 0.00 O ATOM 28 CB CYS A 3 -5.656 -4.587 -0.618 1.00 0.00 C ATOM 29 SG CYS A 3 -6.716 -4.649 0.860 1.00 0.00 S ATOM 0 H CYS A 3 -7.532 -4.257 -2.457 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.782 -2.477 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.813 -5.494 -1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.612 -4.587 -0.303 1.00 0.00 H new ATOM 34 N ARG A 4 -3.926 -2.460 -2.484 1.00 0.00 N ATOM 35 CA ARG A 4 -2.839 -2.372 -3.449 1.00 0.00 C ATOM 36 C ARG A 4 -1.507 -2.198 -2.737 1.00 0.00 C ATOM 37 O ARG A 4 -1.397 -1.399 -1.800 1.00 0.00 O ATOM 38 CB ARG A 4 -3.067 -1.237 -4.466 1.00 0.00 C ATOM 39 CG ARG A 4 -3.186 0.159 -3.866 1.00 0.00 C ATOM 40 CD ARG A 4 -3.298 1.223 -4.945 1.00 0.00 C ATOM 41 NE ARG A 4 -2.102 1.276 -5.803 1.00 0.00 N ATOM 42 CZ ARG A 4 -1.688 2.349 -6.479 1.00 0.00 C ATOM 43 NH1 ARG A 4 -2.378 3.493 -6.416 1.00 0.00 N ATOM 44 NH2 ARG A 4 -0.591 2.276 -7.213 1.00 0.00 N ATOM 0 H ARG A 4 -3.862 -1.797 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.817 -3.308 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.243 -1.239 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.976 -1.452 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.061 0.204 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.316 0.363 -3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.175 1.023 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.451 2.196 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.546 0.425 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.224 3.548 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.058 4.311 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.066 1.403 -7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.269 3.093 -7.732 1.00 0.00 H new ATOM 58 N CYS A 5 -0.517 -2.970 -3.132 1.00 0.00 N ATOM 59 CA CYS A 5 0.805 -2.842 -2.556 1.00 0.00 C ATOM 60 C CYS A 5 1.651 -1.872 -3.298 1.00 0.00 C ATOM 61 O CYS A 5 1.578 -1.751 -4.520 1.00 0.00 O ATOM 62 CB CYS A 5 1.551 -4.173 -2.377 1.00 0.00 C ATOM 63 SG CYS A 5 1.029 -5.243 -0.964 1.00 0.00 S ATOM 0 H CYS A 5 -0.602 -3.691 -3.848 1.00 0.00 H new ATOM 0 HA CYS A 5 0.623 -2.454 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.442 -4.749 -3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.612 -3.954 -2.262 1.00 0.00 H new ATOM 68 N VAL A 6 2.405 -1.166 -2.539 1.00 0.00 N ATOM 69 CA VAL A 6 3.360 -0.219 -3.007 1.00 0.00 C ATOM 70 C VAL A 6 4.644 -0.513 -2.249 1.00 0.00 C ATOM 71 O VAL A 6 4.594 -0.919 -1.068 1.00 0.00 O ATOM 72 CB VAL A 6 2.880 1.259 -2.772 1.00 0.00 C ATOM 73 CG1 VAL A 6 2.654 1.569 -1.291 1.00 0.00 C ATOM 74 CG2 VAL A 6 3.843 2.264 -3.402 1.00 0.00 C ATOM 0 H VAL A 6 2.375 -1.233 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 6 3.505 -0.309 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 6 1.915 1.357 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.323 2.602 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.892 0.900 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.585 1.426 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.482 3.276 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.832 2.147 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.903 2.087 -4.476 1.00 0.00 H new ATOM 84 N CYS A 7 5.754 -0.421 -2.902 1.00 0.00 N ATOM 85 CA CYS A 7 6.985 -0.738 -2.255 1.00 0.00 C ATOM 86 C CYS A 7 7.737 0.502 -1.863 1.00 0.00 C ATOM 87 O CYS A 7 7.877 1.450 -2.646 1.00 0.00 O ATOM 88 CB CYS A 7 7.833 -1.686 -3.096 1.00 0.00 C ATOM 89 SG CYS A 7 6.958 -3.231 -3.590 1.00 0.00 S ATOM 0 H CYS A 7 5.836 -0.131 -3.877 1.00 0.00 H new ATOM 0 HA CYS A 7 6.745 -1.266 -1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.162 -1.163 -3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.729 -1.951 -2.535 1.00 0.00 H new ATOM 94 N ARG A 8 8.170 0.505 -0.637 1.00 0.00 N ATOM 95 CA ARG A 8 8.923 1.579 -0.070 1.00 0.00 C ATOM 96 C ARG A 8 10.192 0.997 0.522 1.00 0.00 C ATOM 97 O ARG A 8 10.135 0.282 1.540 1.00 0.00 O ATOM 98 CB ARG A 8 8.106 2.272 1.023 1.00 0.00 C ATOM 99 CG ARG A 8 8.812 3.448 1.676 1.00 0.00 C ATOM 100 CD ARG A 8 8.016 3.987 2.852 1.00 0.00 C ATOM 101 NE ARG A 8 6.682 4.475 2.466 1.00 0.00 N ATOM 102 CZ ARG A 8 5.596 4.453 3.258 1.00 0.00 C ATOM 103 NH1 ARG A 8 5.645 3.870 4.459 1.00 0.00 N ATOM 104 NH2 ARG A 8 4.470 5.009 2.839 1.00 0.00 N ATOM 0 H ARG A 8 8.003 -0.263 0.013 1.00 0.00 H new ATOM 0 HA ARG A 8 9.165 2.317 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.166 2.619 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.854 1.541 1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.801 3.139 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.960 4.239 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.908 3.202 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.573 4.799 3.320 1.00 0.00 H new ATOM 0 HE ARG A 8 6.573 4.859 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.511 3.437 4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.817 3.858 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.430 5.450 1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.642 4.996 3.435 1.00 0.00 H new ATOM 118 N ARG A 9 11.308 1.245 -0.144 1.00 0.00 N ATOM 119 CA ARG A 9 12.628 0.771 0.266 1.00 0.00 C ATOM 120 C ARG A 9 12.614 -0.751 0.546 1.00 0.00 C ATOM 121 O ARG A 9 12.941 -1.219 1.644 1.00 0.00 O ATOM 122 CB ARG A 9 13.184 1.592 1.460 1.00 0.00 C ATOM 123 CG ARG A 9 14.621 1.236 1.851 1.00 0.00 C ATOM 124 CD ARG A 9 15.585 1.513 0.714 1.00 0.00 C ATOM 125 NE ARG A 9 16.915 0.952 0.960 1.00 0.00 N ATOM 126 CZ ARG A 9 17.973 1.156 0.176 1.00 0.00 C ATOM 127 NH1 ARG A 9 17.886 2.006 -0.843 1.00 0.00 N ATOM 128 NH2 ARG A 9 19.111 0.511 0.412 1.00 0.00 N ATOM 0 H ARG A 9 11.326 1.793 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 9 13.315 0.932 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.139 2.652 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.536 1.441 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.915 1.812 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.675 0.183 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.183 1.096 -0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.669 2.590 0.567 1.00 0.00 H new ATOM 0 HE ARG A 9 17.040 0.367 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.011 2.499 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.694 2.165 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.175 -0.141 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.920 0.668 -0.189 1.00 0.00 H new ATOM 142 N GLY A 10 12.132 -1.496 -0.423 1.00 0.00 N ATOM 143 CA GLY A 10 12.122 -2.944 -0.330 1.00 0.00 C ATOM 144 C GLY A 10 10.948 -3.492 0.465 1.00 0.00 C ATOM 145 O GLY A 10 10.658 -4.692 0.408 1.00 0.00 O ATOM 0 H GLY A 10 11.740 -1.125 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.098 -3.365 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.051 -3.277 0.133 1.00 0.00 H new ATOM 149 N VAL A 11 10.273 -2.636 1.203 1.00 0.00 N ATOM 150 CA VAL A 11 9.145 -3.049 1.993 1.00 0.00 C ATOM 151 C VAL A 11 7.882 -2.777 1.222 1.00 0.00 C ATOM 152 O VAL A 11 7.517 -1.628 0.989 1.00 0.00 O ATOM 153 CB VAL A 11 9.092 -2.318 3.363 1.00 0.00 C ATOM 154 CG1 VAL A 11 7.889 -2.778 4.191 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.377 -2.548 4.132 1.00 0.00 C ATOM 0 H VAL A 11 10.493 -1.642 1.269 1.00 0.00 H new ATOM 0 HA VAL A 11 9.246 -4.115 2.198 1.00 0.00 H new ATOM 0 HB VAL A 11 8.980 -1.251 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.879 -2.249 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.969 -2.563 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.961 -3.850 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.326 -2.030 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.512 -3.616 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.219 -2.164 3.556 1.00 0.00 H new ATOM 165 N CYS A 12 7.250 -3.809 0.791 1.00 0.00 N ATOM 166 CA CYS A 12 6.034 -3.683 0.067 1.00 0.00 C ATOM 167 C CYS A 12 4.882 -3.845 1.018 1.00 0.00 C ATOM 168 O CYS A 12 4.769 -4.864 1.716 1.00 0.00 O ATOM 169 CB CYS A 12 5.989 -4.696 -1.069 1.00 0.00 C ATOM 170 SG CYS A 12 7.452 -4.609 -2.176 1.00 0.00 S ATOM 0 H CYS A 12 7.562 -4.770 0.931 1.00 0.00 H new ATOM 0 HA CYS A 12 5.966 -2.695 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.918 -5.700 -0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.086 -4.532 -1.657 1.00 0.00 H new ATOM 175 N ARG A 13 4.067 -2.839 1.075 1.00 0.00 N ATOM 176 CA ARG A 13 2.941 -2.803 1.973 1.00 0.00 C ATOM 177 C ARG A 13 1.685 -2.538 1.183 1.00 0.00 C ATOM 178 O ARG A 13 1.695 -1.718 0.255 1.00 0.00 O ATOM 179 CB ARG A 13 3.140 -1.681 3.009 1.00 0.00 C ATOM 180 CG ARG A 13 1.990 -1.531 4.004 1.00 0.00 C ATOM 181 CD ARG A 13 2.182 -0.322 4.907 1.00 0.00 C ATOM 182 NE ARG A 13 3.394 -0.419 5.736 1.00 0.00 N ATOM 183 CZ ARG A 13 3.889 0.569 6.496 1.00 0.00 C ATOM 184 NH1 ARG A 13 3.260 1.739 6.567 1.00 0.00 N ATOM 185 NH2 ARG A 13 4.995 0.366 7.196 1.00 0.00 N ATOM 0 H ARG A 13 4.161 -2.006 0.494 1.00 0.00 H new ATOM 0 HA ARG A 13 2.857 -3.759 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.060 -1.872 3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.275 -0.736 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.050 -1.434 3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.916 -2.432 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.236 0.578 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.312 -0.215 5.554 1.00 0.00 H new ATOM 0 HE ARG A 13 3.897 -1.307 5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.398 1.887 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.640 2.488 7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.466 -0.538 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.376 1.114 7.776 1.00 0.00 H new ATOM 199 N CYS A 14 0.628 -3.236 1.504 1.00 0.00 N ATOM 200 CA CYS A 14 -0.632 -2.977 0.882 1.00 0.00 C ATOM 201 C CYS A 14 -1.420 -1.979 1.638 1.00 0.00 C ATOM 202 O CYS A 14 -1.586 -2.050 2.863 1.00 0.00 O ATOM 203 CB CYS A 14 -1.467 -4.212 0.592 1.00 0.00 C ATOM 204 SG CYS A 14 -0.999 -5.191 -0.907 1.00 0.00 S ATOM 0 H CYS A 14 0.620 -3.988 2.194 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.373 -2.564 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.415 -4.870 1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.507 -3.904 0.487 1.00 0.00 H new ATOM 209 N VAL A 15 -1.870 -1.053 0.909 1.00 0.00 N ATOM 210 CA VAL A 15 -2.705 -0.009 1.368 1.00 0.00 C ATOM 211 C VAL A 15 -4.086 -0.406 0.943 1.00 0.00 C ATOM 212 O VAL A 15 -4.297 -0.759 -0.231 1.00 0.00 O ATOM 213 CB VAL A 15 -2.324 1.347 0.717 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.201 2.474 1.241 1.00 0.00 C ATOM 215 CG2 VAL A 15 -0.851 1.669 0.951 1.00 0.00 C ATOM 0 H VAL A 15 -1.660 -0.988 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.616 0.127 2.446 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.492 1.256 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.911 3.412 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.245 2.259 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.077 2.560 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.609 2.624 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.657 1.728 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.233 0.885 0.513 1.00 0.00 H new ATOM 225 N CYS A 16 -4.987 -0.444 1.856 1.00 0.00 N ATOM 226 CA CYS A 16 -6.301 -0.856 1.534 1.00 0.00 C ATOM 227 C CYS A 16 -7.271 0.278 1.658 1.00 0.00 C ATOM 228 O CYS A 16 -7.295 1.006 2.665 1.00 0.00 O ATOM 229 CB CYS A 16 -6.741 -2.031 2.384 1.00 0.00 C ATOM 230 SG CYS A 16 -5.710 -3.525 2.214 1.00 0.00 S ATOM 0 H CYS A 16 -4.837 -0.194 2.833 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.290 -1.182 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.742 -1.725 3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.769 -2.284 2.125 1.00 0.00 H new ATOM 235 N ARG A 17 -8.035 0.441 0.640 1.00 0.00 N ATOM 236 CA ARG A 17 -9.049 1.442 0.575 1.00 0.00 C ATOM 237 C ARG A 17 -10.401 0.796 0.347 1.00 0.00 C ATOM 238 O ARG A 17 -10.732 0.400 -0.773 1.00 0.00 O ATOM 239 CB ARG A 17 -8.716 2.473 -0.507 1.00 0.00 C ATOM 240 CG ARG A 17 -9.820 3.476 -0.768 1.00 0.00 C ATOM 241 CD ARG A 17 -9.316 4.652 -1.583 1.00 0.00 C ATOM 242 NE ARG A 17 -8.378 5.478 -0.797 1.00 0.00 N ATOM 243 CZ ARG A 17 -7.476 6.328 -1.301 1.00 0.00 C ATOM 244 NH1 ARG A 17 -7.317 6.446 -2.613 1.00 0.00 N ATOM 245 NH2 ARG A 17 -6.726 7.054 -0.487 1.00 0.00 N ATOM 0 H ARG A 17 -7.974 -0.134 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.092 1.974 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.813 3.010 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.489 1.949 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.639 2.989 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.221 3.833 0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.820 4.289 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.159 5.262 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.421 5.393 0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.885 5.886 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.626 7.097 -2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.836 6.965 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.038 7.702 -0.870 1.00 0.00 H new