USER MOD reduce.3.24.130724 H: found=0, std=0, add=57, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 45 hydrogens (0 hets) ATOM 1 CA GLY A 1 -14.992 -10.535 45.629 1.00 0.00 C ATOM 2 C GLY A 1 -16.493 -10.324 45.516 1.00 0.00 C ATOM 3 N VAL A 2 -17.242 -11.089 46.306 1.00 0.00 N ATOM 4 CA VAL A 2 -18.700 -11.008 46.317 1.00 0.00 C ATOM 5 C VAL A 2 -19.152 -9.605 46.686 1.00 0.00 C ATOM 6 O VAL A 2 -19.982 -9.004 46.005 1.00 0.00 O ATOM 0 H VAL A 2 -16.859 -11.778 46.953 1.00 0.00 H new ATOM 8 N ILE A 3 -18.592 -9.089 47.777 1.00 0.00 N ATOM 9 CA ILE A 3 -18.920 -7.752 48.264 1.00 0.00 C ATOM 10 C ILE A 3 -18.432 -6.695 47.286 1.00 0.00 C ATOM 11 O ILE A 3 -19.017 -5.619 47.168 1.00 0.00 O ATOM 0 H ILE A 3 -17.903 -9.582 48.345 1.00 0.00 H new ATOM 13 N ASP A 4 -17.349 -7.017 46.585 1.00 0.00 N ATOM 14 CA ASP A 4 -16.757 -6.111 45.605 1.00 0.00 C ATOM 15 C ASP A 4 -17.794 -5.685 44.578 1.00 0.00 C ATOM 16 O ASP A 4 -17.961 -4.500 44.297 1.00 0.00 O ATOM 0 H ASP A 4 -16.859 -7.907 46.679 1.00 0.00 H new ATOM 18 N THR A 5 -18.490 -6.672 44.021 1.00 0.00 N ATOM 19 CA THR A 5 -19.522 -6.429 43.018 1.00 0.00 C ATOM 20 C THR A 5 -19.654 -4.941 42.740 1.00 0.00 C ATOM 21 O THR A 5 -19.698 -4.509 41.589 1.00 0.00 O ATOM 0 H THR A 5 -18.356 -7.657 44.250 1.00 0.00 H new ATOM 23 N SER A 6 -19.718 -4.159 43.814 1.00 0.00 N ATOM 24 CA SER A 6 -19.847 -2.708 43.717 1.00 0.00 C ATOM 25 C SER A 6 -18.670 -2.119 42.957 1.00 0.00 C ATOM 26 O SER A 6 -18.813 -1.644 41.831 1.00 0.00 O ATOM 0 H SER A 6 -19.682 -4.511 44.771 1.00 0.00 H new ATOM 28 N ALA A 7 -17.500 -2.158 43.589 1.00 0.00 N ATOM 29 CA ALA A 7 -16.274 -1.633 42.993 1.00 0.00 C ATOM 30 C ALA A 7 -15.866 -2.469 41.792 1.00 0.00 C ATOM 31 O ALA A 7 -15.259 -1.970 40.846 1.00 0.00 O ATOM 0 H ALA A 7 -17.375 -2.551 44.522 1.00 0.00 H new ATOM 33 N VAL A 8 -16.209 -3.753 41.842 1.00 0.00 N ATOM 34 CA VAL A 8 -15.889 -4.688 40.767 1.00 0.00 C ATOM 35 C VAL A 8 -16.504 -4.223 39.457 1.00 0.00 C ATOM 36 O VAL A 8 -15.869 -4.271 38.404 1.00 0.00 O ATOM 0 H VAL A 8 -16.713 -4.173 42.623 1.00 0.00 H new ATOM 38 N GLU A 9 -17.752 -3.771 39.536 1.00 0.00 N ATOM 39 CA GLU A 9 -18.482 -3.287 38.367 1.00 0.00 C ATOM 40 C GLU A 9 -17.622 -2.328 37.561 1.00 0.00 C ATOM 41 O GLU A 9 -17.538 -2.422 36.338 1.00 0.00 O ATOM 0 H GLU A 9 -18.284 -3.730 40.406 1.00 0.00 H new ATOM 43 N SER A 10 -16.981 -1.399 38.266 1.00 0.00 N ATOM 44 CA SER A 10 -16.116 -0.404 37.641 1.00 0.00 C ATOM 45 C SER A 10 -15.011 -1.082 36.848 1.00 0.00 C ATOM 46 O SER A 10 -14.733 -0.719 35.706 1.00 0.00 O ATOM 0 H SER A 10 -17.046 -1.315 39.280 1.00 0.00 H new ATOM 48 N ALA A 11 -14.382 -2.074 37.471 1.00 0.00 N ATOM 49 CA ALA A 11 -13.298 -2.826 36.845 1.00 0.00 C ATOM 50 C ALA A 11 -13.814 -3.607 35.647 1.00 0.00 C ATOM 51 O ALA A 11 -13.117 -3.773 34.648 1.00 0.00 O ATOM 0 H ALA A 11 -14.607 -2.378 38.418 1.00 0.00 H new ATOM 53 N ILE A 12 -15.049 -4.086 35.762 1.00 0.00 N ATOM 54 CA ILE A 12 -15.689 -4.857 34.700 1.00 0.00 C ATOM 55 C ILE A 12 -15.841 -4.011 33.446 1.00 0.00 C ATOM 56 O ILE A 12 -15.625 -4.483 32.331 1.00 0.00 O ATOM 0 H ILE A 12 -15.632 -3.952 36.588 1.00 0.00 H new ATOM 58 N THR A 13 -16.218 -2.751 33.645 1.00 0.00 N ATOM 59 CA THR A 13 -16.409 -1.812 32.544 1.00 0.00 C ATOM 60 C THR A 13 -15.091 -1.549 31.834 1.00 0.00 C ATOM 61 O THR A 13 -15.046 -1.383 30.616 1.00 0.00 O ATOM 0 H THR A 13 -16.399 -2.354 34.567 1.00 0.00 H new ATOM 63 N ASP A 14 -14.015 -1.513 32.615 1.00 0.00 N ATOM 64 CA ASP A 14 -12.675 -1.272 32.087 1.00 0.00 C ATOM 65 C ASP A 14 -12.097 -2.548 31.498 1.00 0.00 C ATOM 66 O ASP A 14 -11.846 -2.638 30.297 1.00 0.00 O ATOM 0 H ASP A 14 -14.046 -1.649 33.625 1.00 0.00 H new ATOM 68 N GLY A 15 -11.889 -3.537 32.363 1.00 0.00 N ATOM 69 CA GLY A 15 -11.339 -4.827 31.955 1.00 0.00 C ATOM 70 C GLY A 15 -12.239 -5.488 30.924 1.00 0.00 C ATOM 71 O GLY A 15 -11.875 -5.625 29.757 1.00 0.00 O ATOM 0 H GLY A 15 -12.095 -3.468 33.360 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.341 -4.688 31.539 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.235 -5.476 32.825 1.00 0.00 H new ATOM 73 N GLN A 16 -13.423 -5.895 31.371 1.00 0.00 N ATOM 74 CA GLN A 16 -14.401 -6.548 30.506 1.00 0.00 C ATOM 75 C GLN A 16 -14.882 -5.589 29.428 1.00 0.00 C ATOM 76 O GLN A 16 -15.026 -5.960 28.265 1.00 0.00 O ATOM 0 H GLN A 16 -13.731 -5.783 32.337 1.00 0.00 H new ATOM 78 N GLY A 17 -15.130 -4.347 29.834 1.00 0.00 N ATOM 79 CA GLY A 17 -15.598 -3.308 28.921 1.00 0.00 C ATOM 80 C GLY A 17 -14.536 -2.996 27.880 1.00 0.00 C ATOM 81 O GLY A 17 -14.815 -2.945 26.683 1.00 0.00 O ATOM 0 H GLY A 17 -15.013 -4.034 30.798 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.514 -3.634 28.428 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.842 -2.406 29.482 1.00 0.00 H new ATOM 83 N ASP A 18 -13.311 -2.787 28.353 1.00 0.00 N ATOM 84 CA ASP A 18 -12.181 -2.476 27.482 1.00 0.00 C ATOM 85 C ASP A 18 -11.828 -3.677 26.620 1.00 0.00 C ATOM 86 O ASP A 18 -11.176 -3.547 25.585 1.00 0.00 O ATOM 0 H ASP A 18 -13.074 -2.828 29.344 1.00 0.00 H new ATOM 88 N MET A 19 -12.268 -4.851 27.062 1.00 0.00 N ATOM 89 CA MET A 19 -12.013 -6.099 26.348 1.00 0.00 C ATOM 90 C MET A 19 -12.705 -6.090 24.995 1.00 0.00 C ATOM 91 O MET A 19 -12.116 -6.449 23.976 1.00 0.00 O ATOM 0 H MET A 19 -12.808 -4.965 27.920 1.00 0.00 H new ATOM 93 N LYS A 20 -13.968 -5.672 24.998 1.00 0.00 N ATOM 94 CA LYS A 20 -14.770 -5.604 23.780 1.00 0.00 C ATOM 95 C LYS A 20 -14.138 -4.652 22.778 1.00 0.00 C ATOM 96 O LYS A 20 -14.124 -4.910 21.576 1.00 0.00 O ATOM 0 H LYS A 20 -14.462 -5.373 25.839 1.00 0.00 H new ATOM 98 N ALA A 21 -13.613 -3.543 23.292 1.00 0.00 N ATOM 99 CA ALA A 21 -12.969 -2.528 22.463 1.00 0.00 C ATOM 100 C ALA A 21 -11.740 -3.102 21.778 1.00 0.00 C ATOM 101 O ALA A 21 -11.465 -2.810 20.615 1.00 0.00 O ATOM 0 H ALA A 21 -13.622 -3.323 24.288 1.00 0.00 H new ATOM 103 N ILE A 22 -11.002 -3.925 22.517 1.00 0.00 N ATOM 104 CA ILE A 22 -9.790 -4.559 22.004 1.00 0.00 C ATOM 105 C ILE A 22 -10.130 -5.536 20.891 1.00 0.00 C ATOM 106 O ILE A 22 -9.438 -5.612 19.878 1.00 0.00 O ATOM 0 H ILE A 22 -11.224 -4.171 23.482 1.00 0.00 H new ATOM 108 N GLY A 23 -11.210 -6.285 21.095 1.00 0.00 N ATOM 109 CA GLY A 23 -11.670 -7.272 20.121 1.00 0.00 C ATOM 110 C GLY A 23 -12.076 -6.591 18.824 1.00 0.00 C ATOM 111 O GLY A 23 -11.809 -7.092 17.733 1.00 0.00 O ATOM 0 H GLY A 23 -11.788 -6.226 21.934 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.879 -7.996 19.926 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.516 -7.826 20.528 1.00 0.00 H new ATOM 113 N GLY A 24 -12.725 -5.438 18.959 1.00 0.00 N ATOM 114 CA GLY A 24 -13.182 -4.661 17.810 1.00 0.00 C ATOM 115 C GLY A 24 -12.002 -4.025 17.094 1.00 0.00 C ATOM 116 O GLY A 24 -11.864 -4.132 15.876 1.00 0.00 O ATOM 0 H GLY A 24 -12.948 -5.018 19.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.728 -5.306 17.121 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.875 -3.887 18.139 1.00 0.00 H new ATOM 118 N TYR A 25 -11.151 -3.360 17.869 1.00 0.00 N ATOM 119 CA TYR A 25 -9.967 -2.693 17.334 1.00 0.00 C ATOM 120 C TYR A 25 -9.074 -3.689 16.614 1.00 0.00 C ATOM 121 O TYR A 25 -8.562 -3.417 15.529 1.00 0.00 O ATOM 0 H TYR A 25 -11.260 -3.268 18.879 1.00 0.00 H new ATOM 123 N ILE A 26 -8.893 -4.852 17.234 1.00 0.00 N ATOM 124 CA ILE A 26 -8.063 -5.914 16.674 1.00 0.00 C ATOM 125 C ILE A 26 -8.640 -6.400 15.354 1.00 0.00 C ATOM 126 O ILE A 26 -7.916 -6.613 14.383 1.00 0.00 O ATOM 0 H ILE A 26 -9.315 -5.084 18.133 1.00 0.00 H new ATOM 128 N VAL A 27 -9.958 -6.573 15.332 1.00 0.00 N ATOM 129 CA VAL A 27 -10.665 -7.035 14.141 1.00 0.00 C ATOM 130 C VAL A 27 -10.527 -6.024 13.015 1.00 0.00 C ATOM 131 O VAL A 27 -10.398 -6.386 11.846 1.00 0.00 O ATOM 0 H VAL A 27 -10.564 -6.398 16.134 1.00 0.00 H new ATOM 133 N GLY A 28 -10.558 -4.746 13.383 1.00 0.00 N ATOM 134 CA GLY A 28 -10.438 -3.654 12.421 1.00 0.00 C ATOM 135 C GLY A 28 -9.160 -3.796 11.611 1.00 0.00 C ATOM 136 O GLY A 28 -9.159 -3.638 10.391 1.00 0.00 O ATOM 0 H GLY A 28 -10.666 -4.439 14.350 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.300 -3.653 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.439 -2.698 12.945 1.00 0.00 H new ATOM 138 N ALA A 29 -8.068 -4.098 12.308 1.00 0.00 N ATOM 139 CA ALA A 29 -6.763 -4.268 11.677 1.00 0.00 C ATOM 140 C ALA A 29 -6.756 -5.504 10.792 1.00 0.00 C ATOM 141 O ALA A 29 -6.186 -5.504 9.703 1.00 0.00 O ATOM 0 H ALA A 29 -8.062 -4.231 13.319 1.00 0.00 H new ATOM 143 N LEU A 30 -7.401 -6.562 11.278 1.00 0.00 N ATOM 144 CA LEU A 30 -7.486 -7.825 10.550 1.00 0.00 C ATOM 145 C LEU A 30 -8.182 -7.623 9.214 1.00 0.00 C ATOM 146 O LEU A 30 -7.788 -8.194 8.199 1.00 0.00 O ATOM 0 H LEU A 30 -7.876 -6.568 12.181 1.00 0.00 H new ATOM 148 N VAL A 31 -9.227 -6.800 9.229 1.00 0.00 N ATOM 149 CA VAL A 31 -10.002 -6.502 8.028 1.00 0.00 C ATOM 150 C VAL A 31 -9.141 -5.780 7.004 1.00 0.00 C ATOM 151 O VAL A 31 -9.218 -6.047 5.806 1.00 0.00 O ATOM 0 H VAL A 31 -9.559 -6.324 10.068 1.00 0.00 H new ATOM 153 N ILE A 32 -8.317 -4.858 7.495 1.00 0.00 N ATOM 154 CA ILE A 32 -7.425 -4.076 6.643 1.00 0.00 C ATOM 155 C ILE A 32 -6.419 -4.983 5.953 1.00 0.00 C ATOM 156 O ILE A 32 -6.138 -4.834 4.765 1.00 0.00 O ATOM 0 H ILE A 32 -8.249 -4.633 8.487 1.00 0.00 H new ATOM 158 N LEU A 33 -5.877 -5.927 6.718 1.00 0.00 N ATOM 159 CA LEU A 33 -4.894 -6.877 6.206 1.00 0.00 C ATOM 160 C LEU A 33 -5.511 -7.751 5.126 1.00 0.00 C ATOM 161 O LEU A 33 -4.916 -7.976 4.073 1.00 0.00 O ATOM 0 H LEU A 33 -6.105 -6.055 7.704 1.00 0.00 H new ATOM 163 N ALA A 34 -6.715 -8.242 5.403 1.00 0.00 N ATOM 164 CA ALA A 34 -7.442 -9.098 4.470 1.00 0.00 C ATOM 165 C ALA A 34 -7.581 -8.416 3.119 1.00 0.00 C ATOM 166 O ALA A 34 -7.638 -9.070 2.079 1.00 0.00 O ATOM 0 H ALA A 34 -7.212 -8.060 6.275 1.00 0.00 H new ATOM 168 N VAL A 35 -7.636 -7.087 3.149 1.00 0.00 N ATOM 169 CA VAL A 35 -7.770 -6.284 1.937 1.00 0.00 C ATOM 170 C VAL A 35 -6.618 -6.563 0.984 1.00 0.00 C ATOM 171 O VAL A 35 -6.778 -6.524 -0.235 1.00 0.00 O ATOM 0 H VAL A 35 -7.589 -6.539 4.008 1.00 0.00 H new ATOM 173 N ALA A 36 -5.453 -6.846 1.558 1.00 0.00 N ATOM 174 CA ALA A 36 -4.251 -7.137 0.782 1.00 0.00 C ATOM 175 C ALA A 36 -4.396 -8.462 0.053 1.00 0.00 C ATOM 176 O ALA A 36 -3.988 -8.603 -1.099 1.00 0.00 O ATOM 0 H ALA A 36 -5.315 -6.880 2.568 1.00 0.00 H new ATOM 178 N GLY A 37 -4.985 -9.436 0.742 1.00 0.00 N ATOM 179 CA GLY A 37 -5.199 -10.767 0.184 1.00 0.00 C ATOM 180 C GLY A 37 -5.939 -10.676 -1.141 1.00 0.00 C ATOM 181 O GLY A 37 -5.527 -11.262 -2.141 1.00 0.00 O ATOM 0 H GLY A 37 -5.325 -9.325 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.241 -11.265 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.771 -11.374 0.886 1.00 0.00 H new ATOM 183 N LEU A 38 -7.040 -9.931 -1.135 1.00 0.00 N ATOM 184 CA LEU A 38 -7.862 -9.743 -2.326 1.00 0.00 C ATOM 185 C LEU A 38 -7.084 -8.997 -3.398 1.00 0.00 C ATOM 186 O LEU A 38 -7.088 -9.377 -4.568 1.00 0.00 O ATOM 0 H LEU A 38 -7.386 -9.443 -0.309 1.00 0.00 H new ATOM 188 N ILE A 39 -6.413 -7.927 -2.981 1.00 0.00 N ATOM 189 CA ILE A 39 -5.617 -7.104 -3.886 1.00 0.00 C ATOM 190 C ILE A 39 -4.592 -7.955 -4.618 1.00 0.00 C ATOM 191 O ILE A 39 -4.438 -7.860 -5.835 1.00 0.00 O ATOM 0 H ILE A 39 -6.405 -7.608 -2.012 1.00 0.00 H new ATOM 193 N TYR A 40 -3.892 -8.792 -3.858 1.00 0.00 N ATOM 194 CA TYR A 40 -2.870 -9.677 -4.409 1.00 0.00 C ATOM 195 C TYR A 40 -3.497 -10.691 -5.352 1.00 0.00 C ATOM 196 O TYR A 40 -2.982 -10.953 -6.438 1.00 0.00 O ATOM 0 H TYR A 40 -4.016 -8.876 -2.849 1.00 0.00 H new ATOM 198 N SER A 41 -4.619 -11.260 -4.922 1.00 0.00 N ATOM 199 CA SER A 41 -5.343 -12.253 -5.710 1.00 0.00 C ATOM 200 C SER A 41 -5.778 -11.662 -7.041 1.00 0.00 C ATOM 201 O SER A 41 -5.723 -12.321 -8.078 1.00 0.00 O ATOM 0 H SER A 41 -5.050 -11.048 -4.022 1.00 0.00 H new ATOM 203 N MET A 42 -6.213 -10.406 -6.997 1.00 0.00 N ATOM 204 CA MET A 42 -6.666 -9.696 -8.190 1.00 0.00 C ATOM 205 C MET A 42 -5.501 -9.439 -9.132 1.00 0.00 C ATOM 206 O MET A 42 -5.623 -9.582 -10.347 1.00 0.00 O ATOM 0 H MET A 42 -6.262 -9.855 -6.140 1.00 0.00 H new ATOM 208 N LEU A 43 -4.367 -9.055 -8.552 1.00 0.00 N ATOM 209 CA LEU A 43 -3.158 -8.769 -9.318 1.00 0.00 C ATOM 210 C LEU A 43 -2.516 -10.060 -9.800 1.00 0.00 C ATOM 211 O LEU A 43 -1.934 -10.115 -10.882 1.00 0.00 O ATOM 0 H LEU A 43 -4.261 -8.934 -7.545 1.00 0.00 H new ATOM 213 N ARG A 44 -2.629 -11.100 -8.979 1.00 0.00 N ATOM 214 CA ARG A 44 -2.067 -12.410 -9.297 1.00 0.00 C ATOM 215 C ARG A 44 -2.967 -13.153 -10.271 1.00 0.00 C ATOM 216 O ARG A 44 -2.526 -14.053 -10.984 1.00 0.00 O ATOM 0 H ARG A 44 -3.109 -11.060 -8.080 1.00 0.00 H new ATOM 218 N LYS A 45 -4.238 -12.762 -10.292 1.00 0.00 N ATOM 219 CA LYS A 45 -5.229 -13.376 -11.172 1.00 0.00 C ATOM 220 C LYS A 45 -5.545 -12.456 -12.340 1.00 0.00 C ATOM 221 O LYS A 45 -5.836 -12.910 -13.446 1.00 0.00 O ATOM 0 H LYS A 45 -4.609 -12.016 -9.704 1.00 0.00 H new ATOM 223 N ALA A 46 -5.484 -11.154 -12.079 1.00 0.00 N ATOM 224 CA ALA A 46 -5.761 -10.141 -13.093 1.00 0.00 C ATOM 0 H ALA A 46 -5.243 -10.772 -11.164 1.00 0.00 H new