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 -11.702 -0.513 -2.556 1.00 0.00 N ATOM 30 CA GLY A 3 -11.463 -1.904 -2.905 1.00 0.00 C ATOM 31 C GLY A 3 -9.979 -2.225 -2.805 1.00 0.00 C ATOM 32 O GLY A 3 -9.344 -2.090 -1.764 1.00 0.00 O ATOM 0 HA2 GLY A 3 -12.029 -2.556 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.817 -2.098 -3.918 1.00 0.00 H new ATOM 36 N ILE A 4 -9.393 -2.547 -3.958 1.00 0.00 N ATOM 37 CA ILE A 4 -7.972 -2.890 -4.088 1.00 0.00 C ATOM 38 C ILE A 4 -7.103 -1.704 -3.632 1.00 0.00 C ATOM 39 O ILE A 4 -6.051 -1.866 -3.020 1.00 0.00 O ATOM 40 CB ILE A 4 -7.663 -3.333 -5.541 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.589 -4.465 -6.051 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.191 -3.751 -5.704 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.612 -5.742 -5.198 1.00 0.00 C ATOM 0 H ILE A 4 -9.898 -2.578 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.732 -3.733 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.858 -2.455 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.605 -4.076 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.283 -4.731 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.011 -4.055 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.544 -2.909 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.973 -4.585 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.292 -6.467 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.609 -6.166 -5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.952 -5.501 -4.191 1.00 0.00 H new ATOM 55 N GLY A 5 -7.585 -0.490 -3.893 1.00 0.00 N ATOM 56 CA GLY A 5 -6.977 0.765 -3.499 1.00 0.00 C ATOM 57 C GLY A 5 -7.067 1.057 -2.001 1.00 0.00 C ATOM 58 O GLY A 5 -6.407 1.991 -1.545 1.00 0.00 O ATOM 0 H GLY A 5 -8.453 -0.356 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.928 0.757 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.456 1.577 -4.046 1.00 0.00 H new ATOM 62 N ALA A 6 -7.922 0.365 -1.234 1.00 0.00 N ATOM 63 CA ALA A 6 -7.762 0.289 0.214 1.00 0.00 C ATOM 64 C ALA A 6 -6.526 -0.540 0.556 1.00 0.00 C ATOM 65 O ALA A 6 -5.716 -0.125 1.378 1.00 0.00 O ATOM 66 CB ALA A 6 -9.015 -0.271 0.886 1.00 0.00 C ATOM 0 H ALA A 6 -8.727 -0.146 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.620 1.298 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.861 -0.314 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.865 0.375 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.214 -1.274 0.508 1.00 0.00 H new ATOM 72 N LEU A 7 -6.353 -1.700 -0.091 1.00 0.00 N ATOM 73 CA LEU A 7 -5.249 -2.621 0.182 1.00 0.00 C ATOM 74 C LEU A 7 -3.926 -1.935 -0.115 1.00 0.00 C ATOM 75 O LEU A 7 -2.954 -2.146 0.592 1.00 0.00 O ATOM 76 CB LEU A 7 -5.332 -3.916 -0.652 1.00 0.00 C ATOM 77 CG LEU A 7 -6.747 -4.461 -0.855 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.715 -5.691 -1.770 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.445 -4.820 0.464 1.00 0.00 C ATOM 0 H LEU A 7 -6.983 -2.026 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.320 -2.896 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.886 -3.731 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.729 -4.683 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.324 -3.662 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.728 -6.069 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.298 -5.414 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.096 -6.466 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.445 -5.201 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.868 -5.584 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.519 -3.931 1.090 1.00 0.00 H new ATOM 91 N PHE A 8 -3.909 -1.087 -1.137 1.00 0.00 N ATOM 92 CA PHE A 8 -2.714 -0.371 -1.569 1.00 0.00 C ATOM 93 C PHE A 8 -2.139 0.496 -0.453 1.00 0.00 C ATOM 94 O PHE A 8 -0.946 0.437 -0.167 1.00 0.00 O ATOM 95 CB PHE A 8 -3.105 0.581 -2.699 1.00 0.00 C ATOM 96 CG PHE A 8 -2.934 0.065 -4.120 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.174 -1.285 -4.449 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.495 0.951 -5.124 1.00 0.00 C ATOM 99 CE1 PHE A 8 -2.958 -1.743 -5.761 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.287 0.493 -6.437 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.516 -0.855 -6.756 1.00 0.00 C ATOM 0 H PHE A 8 -4.735 -0.875 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.975 -1.112 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.150 0.860 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.516 1.492 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.525 -1.970 -3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.317 1.989 -4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.132 -2.781 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.951 1.179 -7.201 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.353 -1.208 -7.763 1.00 0.00 H new ATOM 111 N LEU A 9 -3.001 1.299 0.177 1.00 0.00 N ATOM 112 CA LEU A 9 -2.549 2.184 1.254 1.00 0.00 C ATOM 113 C LEU A 9 -2.505 1.433 2.582 1.00 0.00 C ATOM 114 O LEU A 9 -1.791 1.828 3.499 1.00 0.00 O ATOM 115 CB LEU A 9 -3.388 3.477 1.311 1.00 0.00 C ATOM 116 CG LEU A 9 -4.806 3.352 1.916 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.835 3.633 3.427 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.760 4.336 1.226 1.00 0.00 C ATOM 0 H LEU A 9 -3.997 1.355 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.529 2.503 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.835 4.218 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.482 3.868 0.298 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.121 2.321 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.855 3.531 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.189 2.921 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.481 4.646 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.756 4.241 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.398 5.354 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.804 4.113 0.160 1.00 0.00 H new ATOM 130 N GLY A 10 -3.297 0.365 2.668 1.00 0.00 N ATOM 131 CA GLY A 10 -3.625 -0.314 3.912 1.00 0.00 C ATOM 132 C GLY A 10 -2.818 -1.588 4.091 1.00 0.00 C ATOM 133 O GLY A 10 -1.907 -1.639 4.909 1.00 0.00 O ATOM 0 H GLY A 10 -3.737 -0.059 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.438 0.356 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.688 -0.553 3.926 1.00 0.00 H new ATOM 137 N PHE A 11 -3.172 -2.628 3.339 1.00 0.00 N ATOM 138 CA PHE A 11 -2.596 -3.964 3.442 1.00 0.00 C ATOM 139 C PHE A 11 -1.118 -3.966 3.014 1.00 0.00 C ATOM 140 O PHE A 11 -0.246 -4.425 3.752 1.00 0.00 O ATOM 141 CB PHE A 11 -3.439 -4.882 2.538 1.00 0.00 C ATOM 142 CG PHE A 11 -3.069 -6.349 2.638 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.643 -7.153 3.642 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.134 -6.909 1.745 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.284 -8.509 3.751 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.775 -8.265 1.857 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.349 -9.065 2.860 1.00 0.00 C ATOM 0 H PHE A 11 -3.891 -2.560 2.619 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.616 -4.315 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.491 -4.764 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.327 -4.559 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.360 -6.728 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.692 -6.296 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.727 -9.124 4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.058 -8.691 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.072 -10.105 2.946 1.00 0.00 H new ATOM 157 N LEU A 12 -0.837 -3.374 1.848 1.00 0.00 N ATOM 158 CA LEU A 12 0.494 -3.160 1.297 1.00 0.00 C ATOM 159 C LEU A 12 1.256 -2.167 2.172 1.00 0.00 C ATOM 160 O LEU A 12 2.418 -2.410 2.474 1.00 0.00 O ATOM 161 CB LEU A 12 0.355 -2.688 -0.164 1.00 0.00 C ATOM 162 CG LEU A 12 1.569 -1.934 -0.740 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.817 -2.824 -0.822 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.245 -1.420 -2.150 1.00 0.00 C ATOM 0 H LEU A 12 -1.572 -3.016 1.238 1.00 0.00 H new ATOM 0 HA LEU A 12 1.071 -4.085 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.160 -3.558 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.519 -2.041 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 12 1.779 -1.105 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.647 -2.250 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.079 -3.176 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.612 -3.679 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.108 -0.888 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.005 -2.263 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.391 -0.744 -2.104 1.00 0.00 H new ATOM 176 N GLY A 13 0.606 -1.087 2.617 1.00 0.00 N ATOM 177 CA GLY A 13 1.265 -0.060 3.415 1.00 0.00 C ATOM 178 C GLY A 13 1.646 -0.581 4.804 1.00 0.00 C ATOM 179 O GLY A 13 2.744 -0.289 5.270 1.00 0.00 O ATOM 0 H GLY A 13 -0.381 -0.905 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.160 0.285 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.605 0.801 3.518 1.00 0.00 H new