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 4.977 -0.650 3.575 1.00 0.00 N ATOM 14 CA CYS A 2 3.671 -0.077 3.158 1.00 0.00 C ATOM 15 C CYS A 2 3.829 0.703 1.863 1.00 0.00 C ATOM 16 O CYS A 2 4.223 1.854 1.856 1.00 0.00 O ATOM 17 CB CYS A 2 3.240 0.865 4.288 1.00 0.00 C ATOM 18 SG CYS A 2 1.934 1.999 3.706 1.00 0.00 S ATOM 0 HA CYS A 2 2.932 -0.859 2.983 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.875 0.284 5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.098 1.438 4.640 1.00 0.00 H new ATOM 23 N ASP A 3 3.459 0.108 0.786 1.00 0.00 N ATOM 24 CA ASP A 3 3.507 0.823 -0.510 1.00 0.00 C ATOM 25 C ASP A 3 2.063 1.142 -0.844 1.00 0.00 C ATOM 26 O ASP A 3 1.610 2.263 -0.722 1.00 0.00 O ATOM 27 CB ASP A 3 4.116 -0.163 -1.516 1.00 0.00 C ATOM 28 CG ASP A 3 4.952 0.600 -2.547 1.00 0.00 C ATOM 29 OD1 ASP A 3 4.368 1.331 -3.329 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.161 0.435 -2.540 1.00 0.00 O ATOM 0 H ASP A 3 3.121 -0.853 0.739 1.00 0.00 H new ATOM 0 HA ASP A 3 4.096 1.740 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.739 -0.890 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.325 -0.721 -2.017 1.00 0.00 H new ATOM 35 N CYS A 4 1.330 0.145 -1.198 1.00 0.00 N ATOM 36 CA CYS A 4 -0.097 0.325 -1.477 1.00 0.00 C ATOM 37 C CYS A 4 -0.828 -0.969 -1.098 1.00 0.00 C ATOM 38 O CYS A 4 -1.681 -1.441 -1.821 1.00 0.00 O ATOM 39 CB CYS A 4 -0.164 0.623 -2.970 1.00 0.00 C ATOM 40 SG CYS A 4 0.506 -0.761 -3.924 1.00 0.00 S ATOM 0 H CYS A 4 1.671 -0.810 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.570 1.128 -0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.197 0.808 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 4 0.398 1.530 -3.191 1.00 0.00 H new ATOM 45 N ARG A 5 -0.471 -1.572 0.019 1.00 0.00 N ATOM 46 CA ARG A 5 -1.139 -2.856 0.395 1.00 0.00 C ATOM 47 C ARG A 5 -1.234 -3.077 1.905 1.00 0.00 C ATOM 48 O ARG A 5 -2.241 -3.548 2.400 1.00 0.00 O ATOM 49 CB ARG A 5 -0.288 -3.951 -0.250 1.00 0.00 C ATOM 50 CG ARG A 5 -0.421 -3.877 -1.773 1.00 0.00 C ATOM 51 CD ARG A 5 0.127 -5.164 -2.396 1.00 0.00 C ATOM 52 NE ARG A 5 1.544 -5.244 -1.942 1.00 0.00 N ATOM 53 CZ ARG A 5 2.437 -4.435 -2.443 1.00 0.00 C ATOM 54 NH1 ARG A 5 2.650 -4.415 -3.730 1.00 0.00 N ATOM 55 NH2 ARG A 5 3.118 -3.647 -1.654 1.00 0.00 N ATOM 0 H ARG A 5 0.239 -1.236 0.670 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.173 -2.854 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.756 -3.832 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.608 -4.930 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.466 -3.742 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.125 -3.014 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.442 -6.034 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.063 -5.134 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 5 1.816 -5.931 -1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.119 -5.032 -4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.348 -3.783 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.951 -3.665 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.816 -3.014 -2.044 1.00 0.00 H new ATOM 69 N GLY A 6 -0.215 -2.760 2.637 1.00 0.00 N ATOM 70 CA GLY A 6 -0.270 -2.982 4.116 1.00 0.00 C ATOM 71 C GLY A 6 -1.223 -1.956 4.718 1.00 0.00 C ATOM 72 O GLY A 6 -2.426 -2.131 4.703 1.00 0.00 O ATOM 0 H GLY A 6 0.655 -2.358 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.612 -3.993 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.723 -2.880 4.553 1.00 0.00 H new ATOM 76 N ASP A 7 -0.704 -0.867 5.207 1.00 0.00 N ATOM 77 CA ASP A 7 -1.596 0.190 5.758 1.00 0.00 C ATOM 78 C ASP A 7 -1.783 1.251 4.674 1.00 0.00 C ATOM 79 O ASP A 7 -1.982 2.419 4.941 1.00 0.00 O ATOM 80 CB ASP A 7 -0.875 0.754 6.987 1.00 0.00 C ATOM 81 CG ASP A 7 0.478 1.335 6.580 1.00 0.00 C ATOM 82 OD1 ASP A 7 0.493 2.443 6.075 1.00 0.00 O ATOM 83 OD2 ASP A 7 1.476 0.663 6.788 1.00 0.00 O ATOM 0 H ASP A 7 0.294 -0.663 5.250 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.581 -0.176 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.486 1.527 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.734 -0.032 7.728 1.00 0.00 H new ATOM 88 N CYS A 8 -1.723 0.819 3.441 1.00 0.00 N ATOM 89 CA CYS A 8 -1.894 1.722 2.284 1.00 0.00 C ATOM 90 C CYS A 8 -2.655 0.918 1.229 1.00 0.00 C ATOM 91 O CYS A 8 -2.819 -0.277 1.385 1.00 0.00 O ATOM 92 CB CYS A 8 -0.466 2.090 1.827 1.00 0.00 C ATOM 93 SG CYS A 8 0.757 0.900 2.473 1.00 0.00 S ATOM 0 H CYS A 8 -1.557 -0.156 3.190 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.448 2.638 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.422 2.106 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.218 3.094 2.171 1.00 0.00 H new ATOM 98 N PHE A 9 -3.163 1.521 0.188 1.00 0.00 N ATOM 99 CA PHE A 9 -3.936 0.699 -0.796 1.00 0.00 C ATOM 100 C PHE A 9 -3.589 1.032 -2.250 1.00 0.00 C ATOM 101 O PHE A 9 -3.563 2.175 -2.663 1.00 0.00 O ATOM 102 CB PHE A 9 -5.411 1.006 -0.508 1.00 0.00 C ATOM 103 CG PHE A 9 -5.692 2.476 -0.719 1.00 0.00 C ATOM 104 CD1 PHE A 9 -5.366 3.404 0.277 1.00 0.00 C ATOM 105 CD2 PHE A 9 -6.284 2.910 -1.910 1.00 0.00 C ATOM 106 CE1 PHE A 9 -5.632 4.764 0.081 1.00 0.00 C ATOM 107 CE2 PHE A 9 -6.551 4.270 -2.106 1.00 0.00 C ATOM 108 CZ PHE A 9 -6.224 5.197 -1.111 1.00 0.00 C ATOM 0 H PHE A 9 -3.083 2.516 -0.023 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.697 -0.358 -0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.048 0.410 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.654 0.726 0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.909 3.070 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.535 2.195 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.380 5.480 0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.009 4.603 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.428 6.247 -1.262 1.00 0.00 H new ATOM 118 N CYS A 10 -3.327 0.011 -3.020 1.00 0.00 N ATOM 119 CA CYS A 10 -2.980 0.198 -4.465 1.00 0.00 C ATOM 120 C CYS A 10 -4.249 0.426 -5.293 1.00 0.00 C ATOM 121 O CYS A 10 -4.547 -0.312 -6.212 1.00 0.00 O ATOM 122 CB CYS A 10 -2.319 -1.125 -4.880 1.00 0.00 C ATOM 123 SG CYS A 10 -0.673 -0.813 -5.559 1.00 0.00 S ATOM 0 H CYS A 10 -3.338 -0.960 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.332 1.060 -4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.245 -1.789 -4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.936 -1.632 -5.622 1.00 0.00 H new ATOM 128 N GLY A 11 -4.989 1.455 -4.983 1.00 0.00 N ATOM 129 CA GLY A 11 -6.230 1.746 -5.758 1.00 0.00 C ATOM 130 C GLY A 11 -5.894 2.710 -6.898 1.00 0.00 C ATOM 131 O GLY A 11 -5.929 2.282 -8.040 1.00 0.00 O ATOM 132 OXT GLY A 11 -5.602 3.858 -6.608 1.00 0.00 O ATOM 0 H GLY A 11 -4.788 2.108 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.649 0.822 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.986 2.183 -5.106 1.00 0.00 H new