USER MOD reduce.3.24.130724 H: found=0, std=0, add=59, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 60 hydrogens (7 hets) HETATM 1 C ACE A 1 -8.004 -2.377 3.987 1.00 0.00 C HETATM 2 O ACE A 1 -9.140 -1.964 4.209 1.00 0.00 O HETATM 3 CH3 ACE A 1 -7.598 -3.772 4.436 1.00 0.00 C HETATM 0 H1 ACE A 1 -7.304 -4.362 3.568 1.00 0.00 H new HETATM 0 H2 ACE A 1 -6.759 -3.702 5.128 1.00 0.00 H new HETATM 0 H3 ACE A 1 -8.440 -4.253 4.934 1.00 0.00 H new ATOM 7 N ARG A 2 -7.064 -1.659 3.369 1.00 0.00 N ATOM 8 CA ARG A 2 -7.330 -0.312 2.779 1.00 0.00 C ATOM 9 C ARG A 2 -6.720 -0.260 1.331 1.00 0.00 C ATOM 10 O ARG A 2 -7.037 -1.114 0.499 1.00 0.00 O ATOM 11 CB ARG A 2 -6.882 0.740 3.851 1.00 0.00 C ATOM 12 CG ARG A 2 -7.158 2.235 3.520 1.00 0.00 C ATOM 13 CD ARG A 2 -8.043 3.002 4.528 1.00 0.00 C ATOM 14 NE ARG A 2 -7.419 3.188 5.873 1.00 0.00 N ATOM 15 CZ ARG A 2 -6.553 4.149 6.208 1.00 0.00 C ATOM 16 NH1 ARG A 2 -6.176 4.233 7.451 1.00 0.00 N ATOM 17 NH2 ARG A 2 -6.058 5.011 5.354 1.00 0.00 N ATOM 0 H ARG A 2 -6.101 -1.976 3.255 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.375 -0.070 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.380 0.502 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.812 0.620 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.201 2.751 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.630 2.288 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.283 3.981 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.985 2.467 4.648 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.677 2.522 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.541 3.575 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.516 4.956 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.331 4.970 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.400 5.723 5.671 1.00 0.00 H new ATOM 31 N ALA A 3 -5.847 0.710 1.012 1.00 0.00 N ATOM 32 CA ALA A 3 -5.041 0.714 -0.247 1.00 0.00 C ATOM 33 C ALA A 3 -3.670 -0.054 -0.223 1.00 0.00 C ATOM 34 O ALA A 3 -2.983 -0.120 -1.246 1.00 0.00 O ATOM 35 CB ALA A 3 -4.823 2.207 -0.566 1.00 0.00 C ATOM 0 H ALA A 3 -5.671 1.517 1.610 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.594 0.159 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.237 2.302 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.788 2.695 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.289 2.681 0.258 1.00 0.00 H new HETATM 41 N DCY A 4 -3.246 -0.579 0.940 1.00 0.00 N HETATM 42 CA DCY A 4 -1.905 -1.185 1.157 1.00 0.00 C HETATM 43 C DCY A 4 -0.669 -0.220 1.023 1.00 0.00 C HETATM 44 O DCY A 4 0.391 -0.642 0.562 1.00 0.00 O HETATM 45 CB DCY A 4 -1.972 -1.852 2.563 1.00 0.00 C HETATM 46 SG DCY A 4 -1.403 -3.562 2.530 1.00 0.00 S HETATM 0 HB3 DCY A 4 -1.363 -1.281 3.264 1.00 0.00 H new HETATM 0 HB2 DCY A 4 -2.997 -1.819 2.931 1.00 0.00 H new HETATM 0 HA DCY A 4 -1.714 -1.895 0.352 1.00 0.00 H new ATOM 51 N ARG A 5 -0.788 1.049 1.468 1.00 0.00 N ATOM 52 CA ARG A 5 0.376 1.971 1.662 1.00 0.00 C ATOM 53 C ARG A 5 1.113 1.800 3.033 1.00 0.00 C ATOM 54 O ARG A 5 2.343 1.814 3.075 1.00 0.00 O ATOM 55 CB ARG A 5 -0.096 3.447 1.477 1.00 0.00 C ATOM 56 CG ARG A 5 -0.166 3.932 0.012 1.00 0.00 C ATOM 57 CD ARG A 5 -0.455 5.444 -0.084 1.00 0.00 C ATOM 58 NE ARG A 5 -0.914 5.786 -1.456 1.00 0.00 N ATOM 59 CZ ARG A 5 -1.013 7.019 -1.957 1.00 0.00 C ATOM 60 NH1 ARG A 5 -1.587 7.168 -3.116 1.00 0.00 N ATOM 61 NH2 ARG A 5 -0.561 8.090 -1.349 1.00 0.00 N ATOM 0 H ARG A 5 -1.685 1.472 1.705 1.00 0.00 H new ATOM 0 HA ARG A 5 1.112 1.704 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.083 3.556 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.580 4.101 2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.777 3.711 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.944 3.380 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.216 5.724 0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.443 6.011 0.160 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.176 5.012 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.946 6.355 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.677 8.098 -3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.104 8.006 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.667 9.006 -1.784 1.00 0.00 H new ATOM 75 N PHE A 6 0.363 1.701 4.142 1.00 0.00 N ATOM 76 CA PHE A 6 0.920 1.637 5.528 1.00 0.00 C ATOM 77 C PHE A 6 0.889 0.183 6.105 1.00 0.00 C ATOM 78 O PHE A 6 1.894 -0.302 6.626 1.00 0.00 O ATOM 79 CB PHE A 6 0.176 2.661 6.443 1.00 0.00 C ATOM 80 CG PHE A 6 0.198 4.130 5.968 1.00 0.00 C ATOM 81 CD1 PHE A 6 1.318 4.937 6.200 1.00 0.00 C ATOM 82 CD2 PHE A 6 -0.868 4.636 5.216 1.00 0.00 C ATOM 83 CE1 PHE A 6 1.372 6.227 5.677 1.00 0.00 C ATOM 84 CE2 PHE A 6 -0.809 5.925 4.689 1.00 0.00 C ATOM 85 CZ PHE A 6 0.311 6.718 4.920 1.00 0.00 C ATOM 0 H PHE A 6 -0.656 1.662 4.116 1.00 0.00 H new ATOM 0 HA PHE A 6 1.973 1.917 5.495 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.863 2.346 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.616 2.615 7.439 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.142 4.559 6.786 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.741 4.024 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.237 6.847 5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.631 6.308 4.102 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.358 7.717 4.511 1.00 0.00 H new ATOM 95 N PHE A 7 -0.249 -0.524 5.975 1.00 0.00 N ATOM 96 CA PHE A 7 -0.437 -1.927 6.455 1.00 0.00 C ATOM 97 C PHE A 7 0.167 -3.069 5.537 1.00 0.00 C ATOM 98 O PHE A 7 -0.151 -4.243 5.740 1.00 0.00 O ATOM 99 CB PHE A 7 -1.974 -2.140 6.705 1.00 0.00 C ATOM 100 CG PHE A 7 -2.769 -1.027 7.438 1.00 0.00 C ATOM 101 CD1 PHE A 7 -3.498 -0.096 6.687 1.00 0.00 C ATOM 102 CD2 PHE A 7 -2.658 -0.854 8.822 1.00 0.00 C ATOM 103 CE1 PHE A 7 -4.085 1.004 7.308 1.00 0.00 C ATOM 104 CE2 PHE A 7 -3.252 0.243 9.442 1.00 0.00 C ATOM 105 CZ PHE A 7 -3.960 1.174 8.685 1.00 0.00 C ATOM 0 H PHE A 7 -1.082 -0.141 5.529 1.00 0.00 H new ATOM 0 HA PHE A 7 0.145 -2.029 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.447 -2.302 5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.092 -3.061 7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.605 -0.232 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.110 -1.574 9.412 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.637 1.725 6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.164 0.372 10.511 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.412 2.028 9.166 1.00 0.00 H new ATOM 115 N CYS A 8 1.034 -2.746 4.553 1.00 0.00 N ATOM 116 CA CYS A 8 1.755 -3.730 3.700 1.00 0.00 C ATOM 117 C CYS A 8 3.221 -3.905 4.184 1.00 0.00 C ATOM 118 O CYS A 8 3.723 -5.087 4.617 1.00 0.00 O ATOM 119 CB CYS A 8 1.707 -3.244 2.230 1.00 0.00 C ATOM 120 SG CYS A 8 0.206 -3.747 1.366 1.00 0.00 S ATOM 121 OXT CYS A 8 3.956 -2.752 4.132 1.00 0.00 O ATOM 0 H CYS A 8 1.260 -1.779 4.321 1.00 0.00 H new ATOM 0 HA CYS A 8 1.271 -4.704 3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.783 -2.157 2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.574 -3.634 1.696 1.00 0.00 H new TER 126 CYS A 8