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 -10.507 -2.765 -1.854 1.00 0.00 N ATOM 9 CA VAL A 2 -9.450 -2.595 -2.825 1.00 0.00 C ATOM 10 C VAL A 2 -8.137 -2.378 -2.099 1.00 0.00 C ATOM 11 O VAL A 2 -7.969 -1.390 -1.390 1.00 0.00 O ATOM 12 CB VAL A 2 -9.724 -1.399 -3.779 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.663 -1.321 -4.871 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.118 -1.492 -4.390 1.00 0.00 C ATOM 0 HA VAL A 2 -9.403 -3.497 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.675 -0.484 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.876 -0.476 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.681 -1.188 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.672 -2.243 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.282 -0.642 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.205 -2.418 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.865 -1.482 -3.596 1.00 0.00 H new ATOM 24 N CYS A 3 -7.241 -3.302 -2.232 1.00 0.00 N ATOM 25 CA CYS A 3 -5.966 -3.191 -1.587 1.00 0.00 C ATOM 26 C CYS A 3 -4.892 -2.894 -2.601 1.00 0.00 C ATOM 27 O CYS A 3 -4.909 -3.430 -3.706 1.00 0.00 O ATOM 28 CB CYS A 3 -5.628 -4.460 -0.808 1.00 0.00 C ATOM 29 SG CYS A 3 -6.803 -4.862 0.536 1.00 0.00 S ATOM 0 H CYS A 3 -7.367 -4.150 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.018 -2.366 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.590 -5.299 -1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.630 -4.354 -0.382 1.00 0.00 H new ATOM 34 N ARG A 4 -3.986 -2.021 -2.248 1.00 0.00 N ATOM 35 CA ARG A 4 -2.877 -1.686 -3.116 1.00 0.00 C ATOM 36 C ARG A 4 -1.599 -1.741 -2.329 1.00 0.00 C ATOM 37 O ARG A 4 -1.566 -1.317 -1.161 1.00 0.00 O ATOM 38 CB ARG A 4 -3.034 -0.302 -3.735 1.00 0.00 C ATOM 39 CG ARG A 4 -4.241 -0.142 -4.642 1.00 0.00 C ATOM 40 CD ARG A 4 -4.264 1.238 -5.258 1.00 0.00 C ATOM 41 NE ARG A 4 -4.308 2.295 -4.245 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.703 3.481 -4.357 1.00 0.00 C ATOM 43 NH1 ARG A 4 -2.937 3.751 -5.420 1.00 0.00 N ATOM 44 NH2 ARG A 4 -3.846 4.384 -3.397 1.00 0.00 N ATOM 0 H ARG A 4 -3.991 -1.523 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.856 -2.411 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.100 0.434 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.135 -0.071 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.215 -0.897 -5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.155 -0.307 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.380 1.371 -5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.131 1.328 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.838 2.113 -3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.812 3.050 -6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.478 4.658 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.416 4.172 -2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.386 5.291 -3.477 1.00 0.00 H new ATOM 58 N CYS A 5 -0.571 -2.275 -2.920 1.00 0.00 N ATOM 59 CA CYS A 5 0.685 -2.364 -2.245 1.00 0.00 C ATOM 60 C CYS A 5 1.664 -1.339 -2.733 1.00 0.00 C ATOM 61 O CYS A 5 1.826 -1.111 -3.943 1.00 0.00 O ATOM 62 CB CYS A 5 1.267 -3.754 -2.326 1.00 0.00 C ATOM 63 SG CYS A 5 0.179 -5.045 -1.622 1.00 0.00 S ATOM 0 H CYS A 5 -0.580 -2.654 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 5 0.488 -2.148 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.472 -3.993 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.222 -3.770 -1.802 1.00 0.00 H new ATOM 68 N VAL A 6 2.283 -0.720 -1.792 1.00 0.00 N ATOM 69 CA VAL A 6 3.292 0.271 -2.011 1.00 0.00 C ATOM 70 C VAL A 6 4.610 -0.370 -1.636 1.00 0.00 C ATOM 71 O VAL A 6 4.802 -0.777 -0.483 1.00 0.00 O ATOM 72 CB VAL A 6 3.051 1.513 -1.099 1.00 0.00 C ATOM 73 CG1 VAL A 6 4.094 2.595 -1.341 1.00 0.00 C ATOM 74 CG2 VAL A 6 1.647 2.071 -1.304 1.00 0.00 C ATOM 0 H VAL A 6 2.097 -0.893 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 6 3.280 0.607 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 6 3.147 1.183 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.895 3.445 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.086 2.198 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.049 2.918 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.502 2.937 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.523 2.370 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.912 1.306 -1.056 1.00 0.00 H new ATOM 84 N CYS A 7 5.478 -0.514 -2.581 1.00 0.00 N ATOM 85 CA CYS A 7 6.747 -1.123 -2.318 1.00 0.00 C ATOM 86 C CYS A 7 7.825 -0.098 -2.248 1.00 0.00 C ATOM 87 O CYS A 7 7.919 0.792 -3.092 1.00 0.00 O ATOM 88 CB CYS A 7 7.069 -2.216 -3.320 1.00 0.00 C ATOM 89 SG CYS A 7 5.892 -3.613 -3.277 1.00 0.00 S ATOM 0 H CYS A 7 5.335 -0.219 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 7 6.686 -1.605 -1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.077 -1.788 -4.323 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.074 -2.591 -3.126 1.00 0.00 H new ATOM 94 N ARG A 8 8.602 -0.195 -1.226 1.00 0.00 N ATOM 95 CA ARG A 8 9.660 0.713 -0.972 1.00 0.00 C ATOM 96 C ARG A 8 10.897 -0.060 -0.551 1.00 0.00 C ATOM 97 O ARG A 8 10.967 -0.571 0.571 1.00 0.00 O ATOM 98 CB ARG A 8 9.230 1.681 0.129 1.00 0.00 C ATOM 99 CG ARG A 8 10.260 2.724 0.498 1.00 0.00 C ATOM 100 CD ARG A 8 9.743 3.595 1.615 1.00 0.00 C ATOM 101 NE ARG A 8 10.707 4.619 2.015 1.00 0.00 N ATOM 102 CZ ARG A 8 10.552 5.444 3.054 1.00 0.00 C ATOM 103 NH1 ARG A 8 9.481 5.348 3.826 1.00 0.00 N ATOM 104 NH2 ARG A 8 11.479 6.347 3.322 1.00 0.00 N ATOM 0 H ARG A 8 8.514 -0.931 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 8 9.895 1.281 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.319 2.188 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.981 1.106 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.186 2.238 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.495 3.337 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.817 4.075 1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.501 2.972 2.476 1.00 0.00 H new ATOM 0 HE ARG A 8 11.559 4.710 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.771 4.643 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.365 5.979 4.619 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.311 6.413 2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.362 6.978 4.115 1.00 0.00 H new ATOM 118 N ARG A 9 11.827 -0.202 -1.485 1.00 0.00 N ATOM 119 CA ARG A 9 13.125 -0.840 -1.263 1.00 0.00 C ATOM 120 C ARG A 9 12.956 -2.264 -0.679 1.00 0.00 C ATOM 121 O ARG A 9 13.577 -2.641 0.323 1.00 0.00 O ATOM 122 CB ARG A 9 13.997 0.054 -0.352 1.00 0.00 C ATOM 123 CG ARG A 9 15.462 -0.357 -0.245 1.00 0.00 C ATOM 124 CD ARG A 9 16.194 0.520 0.752 1.00 0.00 C ATOM 125 NE ARG A 9 16.130 1.942 0.386 1.00 0.00 N ATOM 126 CZ ARG A 9 15.777 2.944 1.215 1.00 0.00 C ATOM 127 NH1 ARG A 9 15.395 2.687 2.472 1.00 0.00 N ATOM 128 NH2 ARG A 9 15.781 4.190 0.773 1.00 0.00 N ATOM 0 H ARG A 9 11.701 0.129 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 9 13.633 -0.951 -2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.950 1.078 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.564 0.057 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.530 -1.401 0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.938 -0.281 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.762 0.381 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.237 0.208 0.812 1.00 0.00 H new ATOM 0 HE ARG A 9 16.372 2.191 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.369 1.725 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.130 3.453 3.091 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.050 4.388 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.515 4.953 1.396 1.00 0.00 H new ATOM 142 N GLY A 10 12.060 -3.014 -1.275 1.00 0.00 N ATOM 143 CA GLY A 10 11.825 -4.380 -0.864 1.00 0.00 C ATOM 144 C GLY A 10 10.739 -4.517 0.165 1.00 0.00 C ATOM 145 O GLY A 10 10.172 -5.589 0.326 1.00 0.00 O ATOM 0 H GLY A 10 11.478 -2.700 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.563 -4.974 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.750 -4.795 -0.462 1.00 0.00 H new ATOM 149 N VAL A 11 10.427 -3.444 0.846 1.00 0.00 N ATOM 150 CA VAL A 11 9.405 -3.473 1.857 1.00 0.00 C ATOM 151 C VAL A 11 8.095 -3.089 1.225 1.00 0.00 C ATOM 152 O VAL A 11 7.927 -1.963 0.765 1.00 0.00 O ATOM 153 CB VAL A 11 9.721 -2.509 3.037 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.648 -2.592 4.122 1.00 0.00 C ATOM 155 CG2 VAL A 11 11.091 -2.808 3.623 1.00 0.00 C ATOM 0 H VAL A 11 10.870 -2.535 0.716 1.00 0.00 H new ATOM 0 HA VAL A 11 9.357 -4.481 2.268 1.00 0.00 H new ATOM 0 HB VAL A 11 9.725 -1.493 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.897 -1.907 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.681 -2.318 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.600 -3.610 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.292 -2.123 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.113 -3.834 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.852 -2.682 2.852 1.00 0.00 H new ATOM 165 N CYS A 12 7.195 -4.012 1.146 1.00 0.00 N ATOM 166 CA CYS A 12 5.924 -3.730 0.567 1.00 0.00 C ATOM 167 C CYS A 12 4.881 -3.579 1.645 1.00 0.00 C ATOM 168 O CYS A 12 4.649 -4.482 2.463 1.00 0.00 O ATOM 169 CB CYS A 12 5.533 -4.783 -0.465 1.00 0.00 C ATOM 170 SG CYS A 12 6.679 -4.881 -1.896 1.00 0.00 S ATOM 0 H CYS A 12 7.316 -4.970 1.476 1.00 0.00 H new ATOM 0 HA CYS A 12 5.992 -2.783 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.491 -5.757 0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.529 -4.565 -0.830 1.00 0.00 H new ATOM 175 N ARG A 13 4.274 -2.439 1.659 1.00 0.00 N ATOM 176 CA ARG A 13 3.269 -2.110 2.615 1.00 0.00 C ATOM 177 C ARG A 13 1.971 -1.914 1.872 1.00 0.00 C ATOM 178 O ARG A 13 1.909 -1.148 0.915 1.00 0.00 O ATOM 179 CB ARG A 13 3.706 -0.856 3.373 1.00 0.00 C ATOM 180 CG ARG A 13 2.782 -0.405 4.482 1.00 0.00 C ATOM 181 CD ARG A 13 3.462 0.663 5.324 1.00 0.00 C ATOM 182 NE ARG A 13 4.668 0.124 5.985 1.00 0.00 N ATOM 183 CZ ARG A 13 5.593 0.833 6.641 1.00 0.00 C ATOM 184 NH1 ARG A 13 5.521 2.160 6.690 1.00 0.00 N ATOM 185 NH2 ARG A 13 6.598 0.197 7.246 1.00 0.00 N ATOM 0 H ARG A 13 4.467 -1.693 0.991 1.00 0.00 H new ATOM 0 HA ARG A 13 3.126 -2.902 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.693 -1.036 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.811 -0.040 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.857 -0.012 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.510 -1.255 5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.735 1.509 4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.767 1.037 6.076 1.00 0.00 H new ATOM 0 HE ARG A 13 4.809 -0.885 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.755 2.647 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.232 2.691 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.656 -0.821 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.309 0.728 7.749 1.00 0.00 H new ATOM 199 N CYS A 14 0.966 -2.628 2.256 1.00 0.00 N ATOM 200 CA CYS A 14 -0.271 -2.589 1.528 1.00 0.00 C ATOM 201 C CYS A 14 -1.335 -1.873 2.315 1.00 0.00 C ATOM 202 O CYS A 14 -1.490 -2.081 3.520 1.00 0.00 O ATOM 203 CB CYS A 14 -0.715 -3.997 1.142 1.00 0.00 C ATOM 204 SG CYS A 14 0.612 -5.015 0.368 1.00 0.00 S ATOM 0 H CYS A 14 0.970 -3.246 3.067 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.109 -2.028 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.079 -4.509 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.554 -3.925 0.450 1.00 0.00 H new ATOM 209 N VAL A 15 -2.038 -1.013 1.640 1.00 0.00 N ATOM 210 CA VAL A 15 -3.091 -0.227 2.231 1.00 0.00 C ATOM 211 C VAL A 15 -4.384 -0.609 1.541 1.00 0.00 C ATOM 212 O VAL A 15 -4.406 -0.803 0.309 1.00 0.00 O ATOM 213 CB VAL A 15 -2.837 1.302 2.044 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.914 2.131 2.735 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.455 1.698 2.554 1.00 0.00 C ATOM 0 H VAL A 15 -1.897 -0.832 0.646 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.134 -0.424 3.302 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.881 1.509 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.709 3.191 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.888 1.887 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.916 1.908 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.307 2.768 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.377 1.460 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.692 1.149 2.002 1.00 0.00 H new ATOM 225 N CYS A 16 -5.432 -0.758 2.285 1.00 0.00 N ATOM 226 CA CYS A 16 -6.679 -1.140 1.708 1.00 0.00 C ATOM 227 C CYS A 16 -7.707 -0.051 1.851 1.00 0.00 C ATOM 228 O CYS A 16 -7.686 0.721 2.811 1.00 0.00 O ATOM 229 CB CYS A 16 -7.192 -2.441 2.327 1.00 0.00 C ATOM 230 SG CYS A 16 -6.067 -3.872 2.147 1.00 0.00 S ATOM 0 H CYS A 16 -5.449 -0.621 3.296 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.509 -1.306 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.377 -2.274 3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.150 -2.691 1.871 1.00 0.00 H new ATOM 235 N ARG A 17 -8.560 0.051 0.865 1.00 0.00 N ATOM 236 CA ARG A 17 -9.683 0.933 0.924 1.00 0.00 C ATOM 237 C ARG A 17 -10.901 0.250 0.334 1.00 0.00 C ATOM 238 O ARG A 17 -10.964 0.001 -0.881 1.00 0.00 O ATOM 239 CB ARG A 17 -9.428 2.299 0.261 1.00 0.00 C ATOM 240 CG ARG A 17 -10.625 3.234 0.406 1.00 0.00 C ATOM 241 CD ARG A 17 -10.331 4.670 -0.004 1.00 0.00 C ATOM 242 NE ARG A 17 -10.066 4.859 -1.435 1.00 0.00 N ATOM 243 CZ ARG A 17 -10.466 5.939 -2.138 1.00 0.00 C ATOM 244 NH1 ARG A 17 -11.249 6.869 -1.572 1.00 0.00 N ATOM 245 NH2 ARG A 17 -10.103 6.081 -3.410 1.00 0.00 N ATOM 0 H ARG A 17 -8.490 -0.480 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.864 1.153 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.549 2.762 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.207 2.154 -0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.448 2.854 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.960 3.223 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.178 5.295 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.469 5.025 0.561 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.549 4.131 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.547 6.763 -0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.546 7.682 -2.111 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.521 5.372 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.407 6.898 -3.939 1.00 0.00 H new