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 -7.201 -3.408 -0.199 1.00 0.00 N ATOM 29 CA CYS A 3 -5.750 -3.414 -0.187 1.00 0.00 C ATOM 30 C CYS A 3 -5.135 -3.472 -1.550 1.00 0.00 C ATOM 31 O CYS A 3 -5.423 -4.354 -2.375 1.00 0.00 O ATOM 32 CB CYS A 3 -5.129 -4.466 0.736 1.00 0.00 C ATOM 33 SG CYS A 3 -5.118 -4.074 2.542 1.00 0.00 S ATOM 0 HA CYS A 3 -5.503 -2.442 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.665 -5.404 0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.100 -4.635 0.417 1.00 0.00 H new ATOM 38 N ARG A 4 -4.268 -2.550 -1.739 1.00 0.00 N ATOM 39 CA ARG A 4 -3.492 -2.360 -2.922 1.00 0.00 C ATOM 40 C ARG A 4 -2.067 -2.340 -2.441 1.00 0.00 C ATOM 41 O ARG A 4 -1.823 -2.068 -1.252 1.00 0.00 O ATOM 42 CB ARG A 4 -3.893 -1.037 -3.579 1.00 0.00 C ATOM 43 CG ARG A 4 -3.160 -0.680 -4.859 1.00 0.00 C ATOM 44 CD ARG A 4 -3.812 0.521 -5.523 1.00 0.00 C ATOM 45 NE ARG A 4 -5.202 0.219 -5.907 1.00 0.00 N ATOM 46 CZ ARG A 4 -6.100 1.106 -6.365 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.784 2.395 -6.487 1.00 0.00 N ATOM 48 NH2 ARG A 4 -7.323 0.697 -6.696 1.00 0.00 N ATOM 0 H ARG A 4 -4.061 -1.853 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.640 -3.137 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.961 -1.070 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.736 -0.234 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.116 -0.460 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.169 -1.530 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.795 1.372 -4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.241 0.808 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.509 -0.749 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.851 2.718 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.475 3.059 -6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.575 -0.287 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.008 1.368 -7.044 1.00 0.00 H new ATOM 62 N CYS A 5 -1.132 -2.654 -3.263 1.00 0.00 N ATOM 63 CA CYS A 5 0.185 -2.745 -2.763 1.00 0.00 C ATOM 64 C CYS A 5 1.080 -1.698 -3.350 1.00 0.00 C ATOM 65 O CYS A 5 1.062 -1.432 -4.553 1.00 0.00 O ATOM 66 CB CYS A 5 0.731 -4.139 -2.951 1.00 0.00 C ATOM 67 SG CYS A 5 -0.459 -5.467 -2.475 1.00 0.00 S ATOM 0 H CYS A 5 -1.250 -2.847 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 5 0.152 -2.548 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.013 -4.272 -3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.640 -4.247 -2.359 1.00 0.00 H new ATOM 72 N LEU A 6 1.844 -1.097 -2.490 1.00 0.00 N ATOM 73 CA LEU A 6 2.749 -0.029 -2.871 1.00 0.00 C ATOM 74 C LEU A 6 4.163 -0.418 -2.517 1.00 0.00 C ATOM 75 O LEU A 6 4.383 -1.179 -1.574 1.00 0.00 O ATOM 76 CB LEU A 6 2.374 1.336 -2.218 1.00 0.00 C ATOM 77 CG LEU A 6 1.115 2.082 -2.757 1.00 0.00 C ATOM 78 CD1 LEU A 6 -0.186 1.358 -2.440 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.066 3.504 -2.228 1.00 0.00 C ATOM 0 H LEU A 6 1.866 -1.327 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 6 2.663 0.110 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.231 1.168 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.229 2.004 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 6 1.211 2.103 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.026 1.926 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.170 0.366 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.295 1.262 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.180 4.006 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.025 3.486 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.958 4.042 -2.548 1.00 0.00 H new ATOM 91 N CYS A 7 5.111 0.059 -3.269 1.00 0.00 N ATOM 92 CA CYS A 7 6.484 -0.286 -3.036 1.00 0.00 C ATOM 93 C CYS A 7 7.274 0.900 -2.547 1.00 0.00 C ATOM 94 O CYS A 7 7.180 2.015 -3.095 1.00 0.00 O ATOM 95 CB CYS A 7 7.113 -0.918 -4.276 1.00 0.00 C ATOM 96 SG CYS A 7 6.193 -2.357 -4.957 1.00 0.00 S ATOM 0 H CYS A 7 4.958 0.692 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 7 6.509 -1.034 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.196 -0.157 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.127 -1.235 -4.031 1.00 0.00 H new ATOM 101 N ARG A 8 7.981 0.681 -1.463 1.00 0.00 N ATOM 102 CA ARG A 8 8.828 1.671 -0.865 1.00 0.00 C ATOM 103 C ARG A 8 10.230 1.134 -0.730 1.00 0.00 C ATOM 104 O ARG A 8 10.506 0.312 0.145 1.00 0.00 O ATOM 105 CB ARG A 8 8.295 2.089 0.514 1.00 0.00 C ATOM 106 CG ARG A 8 6.906 2.706 0.487 1.00 0.00 C ATOM 107 CD ARG A 8 6.889 3.937 -0.396 1.00 0.00 C ATOM 108 NE ARG A 8 5.559 4.520 -0.514 1.00 0.00 N ATOM 109 CZ ARG A 8 4.950 4.784 -1.678 1.00 0.00 C ATOM 110 NH1 ARG A 8 5.422 4.271 -2.812 1.00 0.00 N ATOM 111 NH2 ARG A 8 3.834 5.489 -1.695 1.00 0.00 N ATOM 0 H ARG A 8 7.979 -0.210 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 8 8.837 2.549 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.279 1.215 1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.989 2.803 0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.185 1.977 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.600 2.973 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.574 4.681 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.256 3.674 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 8 5.058 4.742 0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.250 3.675 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.956 4.474 -3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.435 5.833 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.371 5.690 -2.581 1.00 0.00 H new ATOM 125 N ARG A 9 11.090 1.545 -1.640 1.00 0.00 N ATOM 126 CA ARG A 9 12.518 1.203 -1.638 1.00 0.00 C ATOM 127 C ARG A 9 12.701 -0.327 -1.747 1.00 0.00 C ATOM 128 O ARG A 9 13.521 -0.950 -1.059 1.00 0.00 O ATOM 129 CB ARG A 9 13.206 1.798 -0.380 1.00 0.00 C ATOM 130 CG ARG A 9 14.724 1.780 -0.391 1.00 0.00 C ATOM 131 CD ARG A 9 15.282 2.612 -1.536 1.00 0.00 C ATOM 132 NE ARG A 9 16.744 2.649 -1.507 1.00 0.00 N ATOM 133 CZ ARG A 9 17.528 3.078 -2.496 1.00 0.00 C ATOM 134 NH1 ARG A 9 17.012 3.429 -3.664 1.00 0.00 N ATOM 135 NH2 ARG A 9 18.838 3.094 -2.330 1.00 0.00 N ATOM 0 H ARG A 9 10.820 2.140 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 9 13.003 1.644 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.874 2.829 -0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.860 1.248 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.101 2.164 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.076 0.752 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.946 2.197 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.890 3.627 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 9 17.202 2.318 -0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.005 3.373 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.622 3.756 -4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.244 2.779 -1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.444 3.421 -3.083 1.00 0.00 H new ATOM 149 N GLY A 10 11.881 -0.919 -2.585 1.00 0.00 N ATOM 150 CA GLY A 10 11.931 -2.335 -2.820 1.00 0.00 C ATOM 151 C GLY A 10 10.952 -3.083 -1.959 1.00 0.00 C ATOM 152 O GLY A 10 10.615 -4.242 -2.240 1.00 0.00 O ATOM 0 H GLY A 10 11.164 -0.429 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.718 -2.536 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.939 -2.700 -2.624 1.00 0.00 H new ATOM 156 N ASP A 11 10.485 -2.435 -0.919 1.00 0.00 N ATOM 157 CA ASP A 11 9.569 -3.051 0.015 1.00 0.00 C ATOM 158 C ASP A 11 8.157 -2.864 -0.462 1.00 0.00 C ATOM 159 O ASP A 11 7.572 -1.795 -0.296 1.00 0.00 O ATOM 160 CB ASP A 11 9.743 -2.449 1.415 1.00 0.00 C ATOM 161 CG ASP A 11 8.884 -3.107 2.468 1.00 0.00 C ATOM 162 OD1 ASP A 11 9.212 -4.233 2.886 1.00 0.00 O ATOM 163 OD2 ASP A 11 7.915 -2.487 2.961 1.00 0.00 O ATOM 0 H ASP A 11 10.727 -1.470 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 11 9.787 -4.117 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.789 -2.531 1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.505 -1.386 1.376 1.00 0.00 H new ATOM 168 N CYS A 12 7.644 -3.851 -1.137 1.00 0.00 N ATOM 169 CA CYS A 12 6.278 -3.808 -1.569 1.00 0.00 C ATOM 170 C CYS A 12 5.437 -4.346 -0.489 1.00 0.00 C ATOM 171 O CYS A 12 5.585 -5.490 -0.059 1.00 0.00 O ATOM 172 CB CYS A 12 6.061 -4.556 -2.849 1.00 0.00 C ATOM 173 SG CYS A 12 7.146 -3.999 -4.213 1.00 0.00 S ATOM 0 H CYS A 12 8.151 -4.696 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 12 6.005 -2.774 -1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.229 -5.618 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.021 -4.444 -3.154 1.00 0.00 H new ATOM 178 N ARG A 13 4.586 -3.535 -0.043 1.00 0.00 N ATOM 179 CA ARG A 13 3.790 -3.820 1.082 1.00 0.00 C ATOM 180 C ARG A 13 2.388 -3.419 0.776 1.00 0.00 C ATOM 181 O ARG A 13 2.154 -2.436 0.052 1.00 0.00 O ATOM 182 CB ARG A 13 4.359 -3.075 2.280 1.00 0.00 C ATOM 183 CG ARG A 13 3.760 -3.449 3.614 1.00 0.00 C ATOM 184 CD ARG A 13 4.717 -3.067 4.718 1.00 0.00 C ATOM 185 NE ARG A 13 6.026 -3.699 4.493 1.00 0.00 N ATOM 186 CZ ARG A 13 6.452 -4.828 5.060 1.00 0.00 C ATOM 187 NH1 ARG A 13 5.703 -5.458 5.957 1.00 0.00 N ATOM 188 NH2 ARG A 13 7.627 -5.331 4.719 1.00 0.00 N ATOM 0 H ARG A 13 4.409 -2.620 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 13 3.791 -4.883 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.434 -3.252 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.217 -2.006 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.806 -2.940 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.558 -4.520 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.829 -1.983 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.315 -3.378 5.682 1.00 0.00 H new ATOM 0 HE ARG A 13 6.663 -3.233 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.793 -5.079 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.038 -6.321 6.385 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.203 -4.855 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.957 -6.194 5.150 1.00 0.00 H new ATOM 202 N CYS A 14 1.461 -4.171 1.251 1.00 0.00 N ATOM 203 CA CYS A 14 0.113 -3.892 0.924 1.00 0.00 C ATOM 204 C CYS A 14 -0.564 -3.094 1.998 1.00 0.00 C ATOM 205 O CYS A 14 -0.384 -3.339 3.200 1.00 0.00 O ATOM 206 CB CYS A 14 -0.645 -5.153 0.574 1.00 0.00 C ATOM 207 SG CYS A 14 0.202 -6.179 -0.689 1.00 0.00 S ATOM 0 H CYS A 14 1.610 -4.975 1.861 1.00 0.00 H new ATOM 0 HA CYS A 14 0.113 -3.269 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.788 -5.746 1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.636 -4.884 0.209 1.00 0.00 H new ATOM 212 N ILE A 15 -1.303 -2.130 1.568 1.00 0.00 N ATOM 213 CA ILE A 15 -2.013 -1.252 2.454 1.00 0.00 C ATOM 214 C ILE A 15 -3.451 -1.102 1.969 1.00 0.00 C ATOM 215 O ILE A 15 -3.717 -1.165 0.762 1.00 0.00 O ATOM 216 CB ILE A 15 -1.292 0.142 2.526 1.00 0.00 C ATOM 217 CG1 ILE A 15 -1.955 1.103 3.527 1.00 0.00 C ATOM 218 CG2 ILE A 15 -1.180 0.793 1.149 1.00 0.00 C ATOM 219 CD1 ILE A 15 -1.931 0.620 4.960 1.00 0.00 C ATOM 0 H ILE A 15 -1.438 -1.921 0.579 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.025 -1.674 3.459 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.285 -0.060 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.453 2.069 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.990 1.264 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.676 1.755 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.607 0.145 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.177 0.944 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.418 1.356 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.459 -0.331 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.898 0.487 5.282 1.00 0.00 H new ATOM 231 N CYS A 16 -4.374 -0.972 2.882 1.00 0.00 N ATOM 232 CA CYS A 16 -5.732 -0.748 2.496 1.00 0.00 C ATOM 233 C CYS A 16 -6.048 0.697 2.537 1.00 0.00 C ATOM 234 O CYS A 16 -5.632 1.440 3.433 1.00 0.00 O ATOM 235 CB CYS A 16 -6.762 -1.528 3.315 1.00 0.00 C ATOM 236 SG CYS A 16 -6.955 -3.337 2.965 1.00 0.00 S ATOM 0 H CYS A 16 -4.210 -1.017 3.888 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.809 -1.127 1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.506 -1.416 4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.733 -1.054 3.171 1.00 0.00 H new