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 -10.328 -2.668 -2.050 1.00 0.00 N ATOM 9 CA VAL A 2 -9.188 -2.754 -2.950 1.00 0.00 C ATOM 10 C VAL A 2 -7.899 -2.621 -2.154 1.00 0.00 C ATOM 11 O VAL A 2 -7.706 -1.644 -1.444 1.00 0.00 O ATOM 12 CB VAL A 2 -9.236 -1.661 -4.057 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.064 -1.812 -5.016 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.554 -1.715 -4.821 1.00 0.00 C ATOM 0 HA VAL A 2 -9.226 -3.725 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.162 -0.689 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.118 -1.038 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.128 -1.714 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.105 -2.793 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.562 -0.941 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.663 -2.693 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.382 -1.550 -4.131 1.00 0.00 H new ATOM 24 N CYS A 3 -7.042 -3.595 -2.253 1.00 0.00 N ATOM 25 CA CYS A 3 -5.786 -3.563 -1.542 1.00 0.00 C ATOM 26 C CYS A 3 -4.636 -3.338 -2.488 1.00 0.00 C ATOM 27 O CYS A 3 -4.434 -4.099 -3.430 1.00 0.00 O ATOM 28 CB CYS A 3 -5.573 -4.845 -0.742 1.00 0.00 C ATOM 29 SG CYS A 3 -6.840 -5.156 0.534 1.00 0.00 S ATOM 0 H CYS A 3 -7.187 -4.429 -2.822 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.825 -2.728 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.553 -5.690 -1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.595 -4.802 -0.263 1.00 0.00 H new ATOM 34 N ARG A 4 -3.899 -2.291 -2.255 1.00 0.00 N ATOM 35 CA ARG A 4 -2.736 -1.991 -3.064 1.00 0.00 C ATOM 36 C ARG A 4 -1.506 -2.085 -2.205 1.00 0.00 C ATOM 37 O ARG A 4 -1.527 -1.665 -1.050 1.00 0.00 O ATOM 38 CB ARG A 4 -2.817 -0.601 -3.688 1.00 0.00 C ATOM 39 CG ARG A 4 -3.965 -0.403 -4.660 1.00 0.00 C ATOM 40 CD ARG A 4 -3.889 0.973 -5.280 1.00 0.00 C ATOM 41 NE ARG A 4 -4.981 1.234 -6.217 1.00 0.00 N ATOM 42 CZ ARG A 4 -5.109 2.356 -6.940 1.00 0.00 C ATOM 43 NH1 ARG A 4 -4.157 3.295 -6.901 1.00 0.00 N ATOM 44 NH2 ARG A 4 -6.178 2.534 -7.703 1.00 0.00 N ATOM 0 H ARG A 4 -4.078 -1.621 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.693 -2.715 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.905 0.135 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.881 -0.397 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.927 -1.164 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.916 -0.525 -4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.907 1.724 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.937 1.080 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.694 0.513 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.330 3.159 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.258 4.147 -7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.903 1.818 -7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.276 3.387 -8.253 1.00 0.00 H new ATOM 58 N CYS A 5 -0.457 -2.646 -2.724 1.00 0.00 N ATOM 59 CA CYS A 5 0.748 -2.753 -1.959 1.00 0.00 C ATOM 60 C CYS A 5 1.826 -1.916 -2.571 1.00 0.00 C ATOM 61 O CYS A 5 2.199 -2.085 -3.736 1.00 0.00 O ATOM 62 CB CYS A 5 1.202 -4.183 -1.791 1.00 0.00 C ATOM 63 SG CYS A 5 -0.091 -5.317 -1.143 1.00 0.00 S ATOM 0 H CYS A 5 -0.410 -3.034 -3.666 1.00 0.00 H new ATOM 0 HA CYS A 5 0.532 -2.377 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.547 -4.558 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.058 -4.203 -1.116 1.00 0.00 H new ATOM 68 N VAL A 6 2.311 -1.033 -1.790 1.00 0.00 N ATOM 69 CA VAL A 6 3.304 -0.091 -2.211 1.00 0.00 C ATOM 70 C VAL A 6 4.616 -0.533 -1.632 1.00 0.00 C ATOM 71 O VAL A 6 4.706 -0.820 -0.422 1.00 0.00 O ATOM 72 CB VAL A 6 2.970 1.352 -1.733 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.984 2.351 -2.275 1.00 0.00 C ATOM 74 CG2 VAL A 6 1.557 1.750 -2.150 1.00 0.00 C ATOM 0 H VAL A 6 2.031 -0.931 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 6 3.341 -0.063 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 6 3.023 1.364 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.730 3.352 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.980 2.086 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.969 2.330 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.347 2.762 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.474 1.713 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.839 1.060 -1.708 1.00 0.00 H new ATOM 84 N CYS A 7 5.602 -0.637 -2.456 1.00 0.00 N ATOM 85 CA CYS A 7 6.862 -1.127 -2.015 1.00 0.00 C ATOM 86 C CYS A 7 7.882 -0.023 -1.936 1.00 0.00 C ATOM 87 O CYS A 7 7.962 0.840 -2.810 1.00 0.00 O ATOM 88 CB CYS A 7 7.320 -2.289 -2.888 1.00 0.00 C ATOM 89 SG CYS A 7 6.076 -3.634 -3.004 1.00 0.00 S ATOM 0 H CYS A 7 5.559 -0.388 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 7 6.750 -1.512 -1.001 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.541 -1.919 -3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.249 -2.694 -2.486 1.00 0.00 H new ATOM 94 N ARG A 8 8.599 -0.028 -0.862 1.00 0.00 N ATOM 95 CA ARG A 8 9.634 0.923 -0.593 1.00 0.00 C ATOM 96 C ARG A 8 10.901 0.170 -0.268 1.00 0.00 C ATOM 97 O ARG A 8 10.990 -0.477 0.780 1.00 0.00 O ATOM 98 CB ARG A 8 9.218 1.804 0.578 1.00 0.00 C ATOM 99 CG ARG A 8 10.258 2.812 1.018 1.00 0.00 C ATOM 100 CD ARG A 8 9.720 3.643 2.156 1.00 0.00 C ATOM 101 NE ARG A 8 10.674 4.648 2.627 1.00 0.00 N ATOM 102 CZ ARG A 8 10.335 5.869 3.059 1.00 0.00 C ATOM 103 NH1 ARG A 8 9.085 6.300 2.930 1.00 0.00 N ATOM 104 NH2 ARG A 8 11.247 6.672 3.582 1.00 0.00 N ATOM 0 H ARG A 8 8.479 -0.717 -0.120 1.00 0.00 H new ATOM 0 HA ARG A 8 9.805 1.561 -1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.307 2.338 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.972 1.164 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.167 2.297 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.528 3.457 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.805 4.140 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.453 2.987 2.984 1.00 0.00 H new ATOM 0 HE ARG A 8 11.664 4.402 2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.380 5.700 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.830 7.231 3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.216 6.362 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.981 7.601 3.909 1.00 0.00 H new ATOM 118 N ARG A 9 11.841 0.196 -1.205 1.00 0.00 N ATOM 119 CA ARG A 9 13.134 -0.474 -1.085 1.00 0.00 C ATOM 120 C ARG A 9 12.929 -1.984 -0.837 1.00 0.00 C ATOM 121 O ARG A 9 13.589 -2.610 -0.007 1.00 0.00 O ATOM 122 CB ARG A 9 14.012 0.205 -0.002 1.00 0.00 C ATOM 123 CG ARG A 9 15.452 -0.320 0.086 1.00 0.00 C ATOM 124 CD ARG A 9 16.245 0.378 1.176 1.00 0.00 C ATOM 125 NE ARG A 9 16.398 1.814 0.926 1.00 0.00 N ATOM 126 CZ ARG A 9 16.619 2.736 1.872 1.00 0.00 C ATOM 127 NH1 ARG A 9 16.725 2.380 3.151 1.00 0.00 N ATOM 128 NH2 ARG A 9 16.740 4.008 1.530 1.00 0.00 N ATOM 0 H ARG A 9 11.725 0.693 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 9 13.679 -0.375 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.043 1.277 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.533 0.073 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.436 -1.393 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.950 -0.177 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.747 0.230 2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.231 -0.081 1.255 1.00 0.00 H new ATOM 0 HE ARG A 9 16.331 2.135 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.638 1.399 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.893 3.088 3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.665 4.282 0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.908 4.715 2.246 1.00 0.00 H new ATOM 142 N GLY A 10 11.954 -2.536 -1.536 1.00 0.00 N ATOM 143 CA GLY A 10 11.667 -3.948 -1.431 1.00 0.00 C ATOM 144 C GLY A 10 10.712 -4.290 -0.296 1.00 0.00 C ATOM 145 O GLY A 10 10.170 -5.401 -0.248 1.00 0.00 O ATOM 0 H GLY A 10 11.350 -2.026 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.240 -4.295 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.601 -4.491 -1.286 1.00 0.00 H new ATOM 149 N VAL A 11 10.512 -3.357 0.612 1.00 0.00 N ATOM 150 CA VAL A 11 9.617 -3.560 1.735 1.00 0.00 C ATOM 151 C VAL A 11 8.233 -3.138 1.306 1.00 0.00 C ATOM 152 O VAL A 11 8.002 -1.972 0.986 1.00 0.00 O ATOM 153 CB VAL A 11 10.055 -2.731 2.968 1.00 0.00 C ATOM 154 CG1 VAL A 11 9.163 -3.023 4.172 1.00 0.00 C ATOM 155 CG2 VAL A 11 11.514 -2.996 3.296 1.00 0.00 C ATOM 0 H VAL A 11 10.962 -2.442 0.594 1.00 0.00 H new ATOM 0 HA VAL A 11 9.636 -4.611 2.024 1.00 0.00 H new ATOM 0 HB VAL A 11 9.945 -1.675 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.494 -2.427 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.131 -2.769 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.227 -4.082 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.805 -2.405 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.651 -4.055 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.135 -2.718 2.444 1.00 0.00 H new ATOM 165 N CYS A 12 7.334 -4.055 1.260 1.00 0.00 N ATOM 166 CA CYS A 12 6.023 -3.754 0.771 1.00 0.00 C ATOM 167 C CYS A 12 5.017 -3.611 1.890 1.00 0.00 C ATOM 168 O CYS A 12 4.915 -4.471 2.764 1.00 0.00 O ATOM 169 CB CYS A 12 5.573 -4.819 -0.232 1.00 0.00 C ATOM 170 SG CYS A 12 6.698 -5.027 -1.662 1.00 0.00 S ATOM 0 H CYS A 12 7.475 -5.022 1.553 1.00 0.00 H new ATOM 0 HA CYS A 12 6.075 -2.790 0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.481 -5.774 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.580 -4.559 -0.600 1.00 0.00 H new ATOM 175 N ARG A 13 4.302 -2.512 1.886 1.00 0.00 N ATOM 176 CA ARG A 13 3.218 -2.314 2.818 1.00 0.00 C ATOM 177 C ARG A 13 1.925 -2.254 2.025 1.00 0.00 C ATOM 178 O ARG A 13 1.889 -1.667 0.926 1.00 0.00 O ATOM 179 CB ARG A 13 3.393 -1.047 3.696 1.00 0.00 C ATOM 180 CG ARG A 13 3.469 0.280 2.939 1.00 0.00 C ATOM 181 CD ARG A 13 3.411 1.473 3.895 1.00 0.00 C ATOM 182 NE ARG A 13 4.528 1.504 4.851 1.00 0.00 N ATOM 183 CZ ARG A 13 4.495 2.108 6.057 1.00 0.00 C ATOM 184 NH1 ARG A 13 3.410 2.767 6.456 1.00 0.00 N ATOM 185 NH2 ARG A 13 5.560 2.074 6.845 1.00 0.00 N ATOM 0 H ARG A 13 4.453 -1.735 1.242 1.00 0.00 H new ATOM 0 HA ARG A 13 3.204 -3.150 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.561 -0.996 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.302 -1.160 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.393 0.319 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.646 0.342 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.412 2.396 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.471 1.444 4.446 1.00 0.00 H new ATOM 0 HE ARG A 13 5.392 1.034 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.593 2.819 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.396 3.220 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.405 1.591 6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.535 2.531 7.757 1.00 0.00 H new ATOM 199 N CYS A 14 0.901 -2.871 2.521 1.00 0.00 N ATOM 200 CA CYS A 14 -0.345 -2.892 1.809 1.00 0.00 C ATOM 201 C CYS A 14 -1.356 -1.989 2.460 1.00 0.00 C ATOM 202 O CYS A 14 -1.454 -1.910 3.693 1.00 0.00 O ATOM 203 CB CYS A 14 -0.879 -4.309 1.650 1.00 0.00 C ATOM 204 SG CYS A 14 0.300 -5.472 0.849 1.00 0.00 S ATOM 0 H CYS A 14 0.898 -3.367 3.413 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.157 -2.508 0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.145 -4.698 2.633 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.796 -4.276 1.062 1.00 0.00 H new ATOM 209 N VAL A 15 -2.057 -1.280 1.636 1.00 0.00 N ATOM 210 CA VAL A 15 -3.074 -0.372 2.054 1.00 0.00 C ATOM 211 C VAL A 15 -4.372 -0.820 1.432 1.00 0.00 C ATOM 212 O VAL A 15 -4.490 -0.890 0.197 1.00 0.00 O ATOM 213 CB VAL A 15 -2.761 1.093 1.604 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.849 2.060 2.072 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.393 1.546 2.112 1.00 0.00 C ATOM 0 H VAL A 15 -1.934 -1.318 0.624 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.131 -0.375 3.142 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.742 1.102 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.604 3.070 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.807 1.763 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.913 2.037 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.203 2.568 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.378 1.506 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.621 0.888 1.714 1.00 0.00 H new ATOM 225 N CYS A 16 -5.302 -1.183 2.249 1.00 0.00 N ATOM 226 CA CYS A 16 -6.583 -1.577 1.766 1.00 0.00 C ATOM 227 C CYS A 16 -7.555 -0.441 1.892 1.00 0.00 C ATOM 228 O CYS A 16 -7.695 0.178 2.964 1.00 0.00 O ATOM 229 CB CYS A 16 -7.100 -2.828 2.454 1.00 0.00 C ATOM 230 SG CYS A 16 -6.061 -4.311 2.208 1.00 0.00 S ATOM 0 H CYS A 16 -5.198 -1.215 3.263 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.476 -1.830 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.184 -2.632 3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.105 -3.039 2.089 1.00 0.00 H new ATOM 235 N ARG A 17 -8.186 -0.144 0.803 1.00 0.00 N ATOM 236 CA ARG A 17 -9.124 0.923 0.711 1.00 0.00 C ATOM 237 C ARG A 17 -10.402 0.450 0.032 1.00 0.00 C ATOM 238 O ARG A 17 -10.426 0.198 -1.192 1.00 0.00 O ATOM 239 CB ARG A 17 -8.514 2.127 -0.036 1.00 0.00 C ATOM 240 CG ARG A 17 -9.484 3.286 -0.258 1.00 0.00 C ATOM 241 CD ARG A 17 -10.008 3.860 1.053 1.00 0.00 C ATOM 242 NE ARG A 17 -11.052 4.868 0.831 1.00 0.00 N ATOM 243 CZ ARG A 17 -11.861 5.357 1.783 1.00 0.00 C ATOM 244 NH1 ARG A 17 -11.727 4.955 3.053 1.00 0.00 N ATOM 245 NH2 ARG A 17 -12.797 6.242 1.465 1.00 0.00 N ATOM 0 H ARG A 17 -8.058 -0.653 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.375 1.249 1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.654 2.491 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.142 1.789 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.984 4.073 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.323 2.944 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.407 3.054 1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.184 4.307 1.609 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.171 5.223 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.008 4.275 3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.344 5.329 3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.901 6.550 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.413 6.615 2.188 1.00 0.00 H new