USER MOD reduce.3.24.130724 H: found=0, std=0, add=78, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 79 hydrogens (0 hets) ATOM 29 N GLY A 3 -12.044 -0.462 -2.196 1.00 0.00 N ATOM 30 CA GLY A 3 -11.717 -1.866 -2.357 1.00 0.00 C ATOM 31 C GLY A 3 -10.213 -2.034 -2.497 1.00 0.00 C ATOM 32 O GLY A 3 -9.452 -1.842 -1.550 1.00 0.00 O ATOM 0 HA2 GLY A 3 -12.077 -2.433 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.220 -2.267 -3.237 1.00 0.00 H new ATOM 36 N ILE A 4 -9.783 -2.341 -3.722 1.00 0.00 N ATOM 37 CA ILE A 4 -8.399 -2.652 -4.065 1.00 0.00 C ATOM 38 C ILE A 4 -7.453 -1.541 -3.600 1.00 0.00 C ATOM 39 O ILE A 4 -6.365 -1.834 -3.105 1.00 0.00 O ATOM 40 CB ILE A 4 -8.279 -2.909 -5.587 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.262 -3.986 -6.111 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.839 -3.273 -5.991 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.168 -5.354 -5.420 1.00 0.00 C ATOM 0 H ILE A 4 -10.410 -2.381 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.101 -3.561 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.555 -1.966 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.279 -3.611 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.088 -4.124 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.795 -3.446 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.169 -2.454 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.531 -4.177 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.897 -6.035 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.165 -5.761 -5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.375 -5.239 -4.356 1.00 0.00 H new ATOM 55 N GLY A 5 -7.858 -0.269 -3.711 1.00 0.00 N ATOM 56 CA GLY A 5 -6.983 0.830 -3.341 1.00 0.00 C ATOM 57 C GLY A 5 -6.795 0.914 -1.829 1.00 0.00 C ATOM 58 O GLY A 5 -5.753 1.382 -1.377 1.00 0.00 O ATOM 0 H GLY A 5 -8.777 0.014 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.013 0.702 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.400 1.767 -3.709 1.00 0.00 H new ATOM 62 N ALA A 6 -7.793 0.478 -1.050 1.00 0.00 N ATOM 63 CA ALA A 6 -7.664 0.368 0.394 1.00 0.00 C ATOM 64 C ALA A 6 -6.683 -0.744 0.770 1.00 0.00 C ATOM 65 O ALA A 6 -5.956 -0.591 1.741 1.00 0.00 O ATOM 66 CB ALA A 6 -9.033 0.144 1.029 1.00 0.00 C ATOM 0 H ALA A 6 -8.705 0.195 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.260 1.303 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.924 0.063 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.686 0.984 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.469 -0.776 0.639 1.00 0.00 H new ATOM 72 N LEU A 7 -6.594 -1.834 -0.003 1.00 0.00 N ATOM 73 CA LEU A 7 -5.534 -2.823 0.166 1.00 0.00 C ATOM 74 C LEU A 7 -4.195 -2.196 -0.185 1.00 0.00 C ATOM 75 O LEU A 7 -3.204 -2.423 0.490 1.00 0.00 O ATOM 76 CB LEU A 7 -5.735 -4.079 -0.709 1.00 0.00 C ATOM 77 CG LEU A 7 -7.183 -4.560 -0.857 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.247 -5.763 -1.805 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.822 -4.928 0.490 1.00 0.00 C ATOM 0 H LEU A 7 -7.250 -2.049 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.562 -3.139 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.336 -3.875 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.143 -4.891 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.752 -3.729 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.281 -6.095 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.865 -5.475 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.641 -6.575 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.847 -5.262 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.249 -5.729 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.824 -4.055 1.142 1.00 0.00 H new ATOM 91 N PHE A 8 -4.168 -1.401 -1.243 1.00 0.00 N ATOM 92 CA PHE A 8 -2.926 -0.909 -1.824 1.00 0.00 C ATOM 93 C PHE A 8 -2.209 0.059 -0.894 1.00 0.00 C ATOM 94 O PHE A 8 -1.022 -0.090 -0.612 1.00 0.00 O ATOM 95 CB PHE A 8 -3.280 -0.160 -3.096 1.00 0.00 C ATOM 96 CG PHE A 8 -2.118 -0.010 -4.059 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.191 1.038 -3.897 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.935 -0.949 -5.092 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.088 1.145 -4.763 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.833 -0.840 -5.959 1.00 0.00 C ATOM 101 CZ PHE A 8 0.091 0.207 -5.794 1.00 0.00 C ATOM 0 H PHE A 8 -5.007 -1.078 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.267 -1.758 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.093 -0.682 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.652 0.830 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.327 1.761 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.643 -1.755 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.622 1.949 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.696 -1.561 -6.752 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.938 0.290 -6.459 1.00 0.00 H new ATOM 111 N LEU A 9 -2.956 1.042 -0.388 1.00 0.00 N ATOM 112 CA LEU A 9 -2.407 1.982 0.580 1.00 0.00 C ATOM 113 C LEU A 9 -2.386 1.341 1.962 1.00 0.00 C ATOM 114 O LEU A 9 -1.628 1.776 2.826 1.00 0.00 O ATOM 115 CB LEU A 9 -3.193 3.310 0.557 1.00 0.00 C ATOM 116 CG LEU A 9 -4.626 3.259 1.144 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.673 3.635 2.633 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.551 4.224 0.387 1.00 0.00 C ATOM 0 H LEU A 9 -3.933 1.204 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.379 2.224 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.622 4.057 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.256 3.654 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.959 2.227 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.702 3.582 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.055 2.941 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.296 4.649 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.554 4.176 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.168 5.240 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.589 3.941 -0.665 1.00 0.00 H new ATOM 130 N GLY A 10 -3.250 0.341 2.168 1.00 0.00 N ATOM 131 CA GLY A 10 -3.543 -0.164 3.509 1.00 0.00 C ATOM 132 C GLY A 10 -2.825 -1.466 3.807 1.00 0.00 C ATOM 133 O GLY A 10 -1.823 -1.479 4.510 1.00 0.00 O ATOM 0 H GLY A 10 -3.758 -0.133 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.254 0.584 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.618 -0.314 3.611 1.00 0.00 H new ATOM 137 N PHE A 11 -3.362 -2.567 3.284 1.00 0.00 N ATOM 138 CA PHE A 11 -2.866 -3.923 3.490 1.00 0.00 C ATOM 139 C PHE A 11 -1.401 -4.065 3.036 1.00 0.00 C ATOM 140 O PHE A 11 -0.550 -4.535 3.789 1.00 0.00 O ATOM 141 CB PHE A 11 -3.798 -4.873 2.714 1.00 0.00 C ATOM 142 CG PHE A 11 -3.480 -6.343 2.907 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.944 -7.021 4.051 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.706 -7.032 1.953 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.635 -8.380 4.239 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.399 -8.391 2.142 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.863 -9.065 3.284 1.00 0.00 C ATOM 0 H PHE A 11 -4.185 -2.536 2.683 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.873 -4.172 4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.827 -4.690 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.739 -4.636 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.538 -6.496 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.348 -6.516 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.991 -8.898 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.806 -8.917 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.627 -10.109 3.428 1.00 0.00 H new ATOM 157 N LEU A 12 -1.103 -3.596 1.821 1.00 0.00 N ATOM 158 CA LEU A 12 0.227 -3.536 1.227 1.00 0.00 C ATOM 159 C LEU A 12 1.083 -2.500 1.961 1.00 0.00 C ATOM 160 O LEU A 12 2.227 -2.794 2.296 1.00 0.00 O ATOM 161 CB LEU A 12 0.073 -3.234 -0.277 1.00 0.00 C ATOM 162 CG LEU A 12 1.316 -2.649 -0.976 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.483 -3.645 -0.980 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.976 -2.275 -2.426 1.00 0.00 C ATOM 0 H LEU A 12 -1.822 -3.230 1.197 1.00 0.00 H new ATOM 0 HA LEU A 12 0.746 -4.489 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.206 -4.156 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.754 -2.536 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 12 1.618 -1.762 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.341 -3.198 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.752 -3.895 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.186 -4.551 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.860 -1.862 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.648 -3.164 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.178 -1.532 -2.433 1.00 0.00 H new ATOM 176 N GLY A 13 0.537 -1.316 2.258 1.00 0.00 N ATOM 177 CA GLY A 13 1.314 -0.249 2.881 1.00 0.00 C ATOM 178 C GLY A 13 1.708 -0.591 4.322 1.00 0.00 C ATOM 179 O GLY A 13 2.813 -0.253 4.744 1.00 0.00 O ATOM 0 H GLY A 13 -0.438 -1.077 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.213 -0.065 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.734 0.674 2.873 1.00 0.00 H new