USER MOD reduce.3.24.130724 H: found=0, std=0, add=51, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 52 hydrogens (0 hets) ATOM 13 N CYS A 2 -4.684 -1.398 -3.382 1.00 0.00 N ATOM 14 CA CYS A 2 -3.514 -0.604 -2.929 1.00 0.00 C ATOM 15 C CYS A 2 -3.901 0.255 -1.736 1.00 0.00 C ATOM 16 O CYS A 2 -4.439 1.337 -1.875 1.00 0.00 O ATOM 17 CB CYS A 2 -3.108 0.285 -4.116 1.00 0.00 C ATOM 18 SG CYS A 2 -2.096 1.698 -3.550 1.00 0.00 S ATOM 0 HA CYS A 2 -2.690 -1.248 -2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.546 -0.303 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.000 0.651 -4.624 1.00 0.00 H new ATOM 23 N ASP A 3 -3.562 -0.190 -0.576 1.00 0.00 N ATOM 24 CA ASP A 3 -3.827 0.623 0.633 1.00 0.00 C ATOM 25 C ASP A 3 -2.476 1.150 1.081 1.00 0.00 C ATOM 26 O ASP A 3 -2.211 2.336 1.046 1.00 0.00 O ATOM 27 CB ASP A 3 -4.467 -0.309 1.680 1.00 0.00 C ATOM 28 CG ASP A 3 -3.730 -1.650 1.757 1.00 0.00 C ATOM 29 OD1 ASP A 3 -3.769 -2.383 0.783 1.00 0.00 O ATOM 30 OD2 ASP A 3 -3.143 -1.923 2.792 1.00 0.00 O ATOM 0 H ASP A 3 -3.109 -1.088 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.505 1.460 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.451 0.174 2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.513 -0.481 1.426 1.00 0.00 H new ATOM 35 N CYS A 4 -1.601 0.268 1.433 1.00 0.00 N ATOM 36 CA CYS A 4 -0.241 0.673 1.813 1.00 0.00 C ATOM 37 C CYS A 4 0.728 -0.475 1.486 1.00 0.00 C ATOM 38 O CYS A 4 1.606 -0.793 2.264 1.00 0.00 O ATOM 39 CB CYS A 4 -0.329 0.971 3.306 1.00 0.00 C ATOM 40 SG CYS A 4 -0.771 -0.524 4.220 1.00 0.00 S ATOM 0 H CYS A 4 -1.777 -0.736 1.473 1.00 0.00 H new ATOM 0 HA CYS A 4 0.132 1.546 1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.626 1.355 3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.072 1.748 3.485 1.00 0.00 H new ATOM 45 N ARG A 5 0.557 -1.129 0.352 1.00 0.00 N ATOM 46 CA ARG A 5 1.464 -2.276 0.021 1.00 0.00 C ATOM 47 C ARG A 5 1.696 -2.449 -1.485 1.00 0.00 C ATOM 48 O ARG A 5 2.803 -2.703 -1.920 1.00 0.00 O ATOM 49 CB ARG A 5 0.760 -3.512 0.586 1.00 0.00 C ATOM 50 CG ARG A 5 0.645 -3.400 2.107 1.00 0.00 C ATOM 51 CD ARG A 5 0.334 -4.779 2.695 1.00 0.00 C ATOM 52 NE ARG A 5 -1.087 -5.041 2.333 1.00 0.00 N ATOM 53 CZ ARG A 5 -1.372 -5.714 1.252 1.00 0.00 C ATOM 54 NH1 ARG A 5 -0.896 -6.919 1.091 1.00 0.00 N ATOM 55 NH2 ARG A 5 -2.130 -5.183 0.332 1.00 0.00 N ATOM 0 H ARG A 5 -0.159 -0.920 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 5 2.454 -2.108 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.232 -3.609 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.317 -4.411 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.575 -3.015 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.141 -2.693 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.994 -5.542 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.474 -4.788 3.776 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.838 -4.694 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.302 -7.333 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.118 -7.446 0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.500 -4.241 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.352 -5.710 -0.513 1.00 0.00 H new ATOM 69 N GLY A 6 0.678 -2.330 -2.277 1.00 0.00 N ATOM 70 CA GLY A 6 0.860 -2.514 -3.754 1.00 0.00 C ATOM 71 C GLY A 6 1.629 -1.314 -4.299 1.00 0.00 C ATOM 72 O GLY A 6 2.841 -1.259 -4.222 1.00 0.00 O ATOM 0 H GLY A 6 -0.273 -2.114 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.404 -3.437 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.108 -2.600 -4.247 1.00 0.00 H new ATOM 76 N ASP A 7 0.941 -0.332 -4.807 1.00 0.00 N ATOM 77 CA ASP A 7 1.646 0.884 -5.304 1.00 0.00 C ATOM 78 C ASP A 7 1.570 1.944 -4.203 1.00 0.00 C ATOM 79 O ASP A 7 1.539 3.133 -4.448 1.00 0.00 O ATOM 80 CB ASP A 7 0.901 1.316 -6.573 1.00 0.00 C ATOM 81 CG ASP A 7 -0.544 1.688 -6.242 1.00 0.00 C ATOM 82 OD1 ASP A 7 -0.773 2.828 -5.873 1.00 0.00 O ATOM 83 OD2 ASP A 7 -1.400 0.828 -6.371 1.00 0.00 O ATOM 0 H ASP A 7 -0.075 -0.317 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 7 2.697 0.718 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.407 2.167 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.917 0.508 -7.304 1.00 0.00 H new ATOM 88 N CYS A 8 1.540 1.482 -2.981 1.00 0.00 N ATOM 89 CA CYS A 8 1.469 2.370 -1.801 1.00 0.00 C ATOM 90 C CYS A 8 2.293 1.691 -0.709 1.00 0.00 C ATOM 91 O CYS A 8 2.634 0.532 -0.847 1.00 0.00 O ATOM 92 CB CYS A 8 -0.027 2.451 -1.434 1.00 0.00 C ATOM 93 SG CYS A 8 -0.928 0.990 -2.049 1.00 0.00 S ATOM 0 H CYS A 8 1.563 0.488 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 8 1.857 3.377 -1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.137 2.522 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.461 3.356 -1.858 1.00 0.00 H new ATOM 98 N PHE A 9 2.659 2.361 0.349 1.00 0.00 N ATOM 99 CA PHE A 9 3.496 1.654 1.369 1.00 0.00 C ATOM 100 C PHE A 9 3.042 1.934 2.803 1.00 0.00 C ATOM 101 O PHE A 9 2.838 3.062 3.206 1.00 0.00 O ATOM 102 CB PHE A 9 4.924 2.161 1.140 1.00 0.00 C ATOM 103 CG PHE A 9 4.976 3.666 1.274 1.00 0.00 C ATOM 104 CD1 PHE A 9 4.567 4.481 0.211 1.00 0.00 C ATOM 105 CD2 PHE A 9 5.439 4.245 2.460 1.00 0.00 C ATOM 106 CE1 PHE A 9 4.622 5.874 0.336 1.00 0.00 C ATOM 107 CE2 PHE A 9 5.495 5.638 2.585 1.00 0.00 C ATOM 108 CZ PHE A 9 5.085 6.453 1.523 1.00 0.00 C ATOM 0 H PHE A 9 2.427 3.333 0.552 1.00 0.00 H new ATOM 0 HA PHE A 9 3.413 0.573 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.600 1.702 1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.267 1.866 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.209 4.035 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.754 3.617 3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.307 6.502 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.854 6.084 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.126 7.528 1.620 1.00 0.00 H new ATOM 118 N CYS A 10 2.890 0.885 3.570 1.00 0.00 N ATOM 119 CA CYS A 10 2.453 1.028 4.998 1.00 0.00 C ATOM 120 C CYS A 10 3.625 1.446 5.891 1.00 0.00 C ATOM 121 O CYS A 10 3.475 1.610 7.086 1.00 0.00 O ATOM 122 CB CYS A 10 1.980 -0.374 5.407 1.00 0.00 C ATOM 123 SG CYS A 10 0.254 -0.323 5.944 1.00 0.00 S ATOM 0 H CYS A 10 3.051 -0.076 3.268 1.00 0.00 H new ATOM 0 HA CYS A 10 1.679 1.789 5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.086 -1.060 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.607 -0.756 6.212 1.00 0.00 H new ATOM 128 N GLY A 11 4.781 1.628 5.323 1.00 0.00 N ATOM 129 CA GLY A 11 5.956 2.044 6.140 1.00 0.00 C ATOM 130 C GLY A 11 7.245 1.614 5.441 1.00 0.00 C ATOM 131 O GLY A 11 7.796 0.597 5.829 1.00 0.00 O ATOM 132 OXT GLY A 11 7.661 2.310 4.529 1.00 0.00 O ATOM 0 H GLY A 11 4.966 1.507 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.950 3.125 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.900 1.594 7.131 1.00 0.00 H new