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 0.443 -41.329 100.529 1.00 0.00 C ATOM 2 C GLY A 1 0.666 -42.828 100.416 1.00 0.00 C ATOM 3 N VAL A 2 1.612 -43.329 101.206 1.00 0.00 N ATOM 4 CA VAL A 2 1.947 -44.750 101.217 1.00 0.00 C ATOM 5 C VAL A 2 0.730 -45.582 101.586 1.00 0.00 C ATOM 6 O VAL A 2 0.389 -46.548 100.905 1.00 0.00 O ATOM 0 H VAL A 2 2.165 -42.766 101.852 1.00 0.00 H new ATOM 8 N ILE A 3 0.076 -45.191 102.677 1.00 0.00 N ATOM 9 CA ILE A 3 -1.113 -45.884 103.164 1.00 0.00 C ATOM 10 C ILE A 3 -2.264 -45.717 102.186 1.00 0.00 C ATOM 11 O ILE A 3 -3.130 -46.583 102.068 1.00 0.00 O ATOM 0 H ILE A 3 0.353 -44.390 103.245 1.00 0.00 H new ATOM 13 N ASP A 4 -2.263 -44.587 101.485 1.00 0.00 N ATOM 14 CA ASP A 4 -3.300 -44.275 100.505 1.00 0.00 C ATOM 15 C ASP A 4 -3.414 -45.390 99.478 1.00 0.00 C ATOM 16 O ASP A 4 -4.503 -45.887 99.197 1.00 0.00 O ATOM 0 H ASP A 4 -1.548 -43.865 101.579 1.00 0.00 H new ATOM 18 N THR A 5 -2.270 -45.778 98.921 1.00 0.00 N ATOM 19 CA THR A 5 -2.211 -46.837 97.918 1.00 0.00 C ATOM 20 C THR A 5 -3.600 -47.386 97.640 1.00 0.00 C ATOM 21 O THR A 5 -4.002 -47.550 96.489 1.00 0.00 O ATOM 0 H THR A 5 -1.364 -45.370 99.150 1.00 0.00 H new ATOM 23 N SER A 6 -4.332 -47.669 98.714 1.00 0.00 N ATOM 24 CA SER A 6 -5.687 -48.203 98.617 1.00 0.00 C ATOM 25 C SER A 6 -6.585 -47.242 97.857 1.00 0.00 C ATOM 26 O SER A 6 -7.000 -47.514 96.731 1.00 0.00 O ATOM 0 H SER A 6 -4.005 -47.536 99.671 1.00 0.00 H new ATOM 28 N ALA A 7 -6.880 -46.109 98.489 1.00 0.00 N ATOM 29 CA ALA A 7 -7.731 -45.082 97.893 1.00 0.00 C ATOM 30 C ALA A 7 -7.045 -44.454 96.692 1.00 0.00 C ATOM 31 O ALA A 7 -7.696 -44.013 95.746 1.00 0.00 O ATOM 0 H ALA A 7 -6.539 -45.877 99.422 1.00 0.00 H new ATOM 33 N VAL A 8 -5.716 -44.418 96.742 1.00 0.00 N ATOM 34 CA VAL A 8 -4.910 -43.847 95.667 1.00 0.00 C ATOM 35 C VAL A 8 -5.182 -44.568 94.357 1.00 0.00 C ATOM 36 O VAL A 8 -5.316 -43.946 93.304 1.00 0.00 O ATOM 0 H VAL A 8 -5.170 -44.781 97.524 1.00 0.00 H new ATOM 38 N GLU A 9 -5.262 -45.893 94.436 1.00 0.00 N ATOM 39 CA GLU A 9 -5.518 -46.730 93.267 1.00 0.00 C ATOM 40 C GLU A 9 -6.682 -46.178 92.461 1.00 0.00 C ATOM 41 O GLU A 9 -6.615 -46.070 91.238 1.00 0.00 O ATOM 0 H GLU A 9 -5.152 -46.414 95.306 1.00 0.00 H new ATOM 43 N SER A 10 -7.754 -45.827 93.166 1.00 0.00 N ATOM 44 CA SER A 10 -8.955 -45.279 92.541 1.00 0.00 C ATOM 45 C SER A 10 -8.618 -44.027 91.748 1.00 0.00 C ATOM 46 O SER A 10 -9.044 -43.864 90.606 1.00 0.00 O ATOM 0 H SER A 10 -7.815 -45.913 94.180 1.00 0.00 H new ATOM 48 N ALA A 11 -7.844 -43.143 92.371 1.00 0.00 N ATOM 49 CA ALA A 11 -7.430 -41.890 91.745 1.00 0.00 C ATOM 50 C ALA A 11 -6.535 -42.163 90.547 1.00 0.00 C ATOM 51 O ALA A 11 -6.574 -41.448 89.548 1.00 0.00 O ATOM 0 H ALA A 11 -7.488 -43.273 93.318 1.00 0.00 H new ATOM 53 N ILE A 12 -5.726 -43.212 90.662 1.00 0.00 N ATOM 54 CA ILE A 12 -4.805 -43.607 89.600 1.00 0.00 C ATOM 55 C ILE A 12 -5.573 -43.993 88.346 1.00 0.00 C ATOM 56 O ILE A 12 -5.182 -43.651 87.231 1.00 0.00 O ATOM 0 H ILE A 12 -5.690 -43.809 91.488 1.00 0.00 H new ATOM 58 N THR A 13 -6.674 -44.712 88.545 1.00 0.00 N ATOM 59 CA THR A 13 -7.521 -45.161 87.444 1.00 0.00 C ATOM 60 C THR A 13 -8.147 -43.971 86.734 1.00 0.00 C ATOM 61 O THR A 13 -8.318 -43.975 85.516 1.00 0.00 O ATOM 0 H THR A 13 -7.003 -44.998 89.467 1.00 0.00 H new ATOM 63 N ASP A 14 -8.486 -42.949 87.515 1.00 0.00 N ATOM 64 CA ASP A 14 -9.097 -41.733 86.987 1.00 0.00 C ATOM 65 C ASP A 14 -8.037 -40.817 86.398 1.00 0.00 C ATOM 66 O ASP A 14 -8.022 -40.550 85.197 1.00 0.00 O ATOM 0 H ASP A 14 -8.346 -42.940 88.525 1.00 0.00 H new ATOM 68 N GLY A 15 -7.148 -40.337 87.263 1.00 0.00 N ATOM 69 CA GLY A 15 -6.067 -39.444 86.855 1.00 0.00 C ATOM 70 C GLY A 15 -5.178 -40.120 85.824 1.00 0.00 C ATOM 71 O GLY A 15 -5.150 -39.731 84.657 1.00 0.00 O ATOM 0 H GLY A 15 -7.156 -40.554 88.260 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.483 -38.526 86.439 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.474 -39.160 87.725 1.00 0.00 H new ATOM 73 N GLN A 16 -4.452 -41.140 86.271 1.00 0.00 N ATOM 74 CA GLN A 16 -3.548 -41.893 85.406 1.00 0.00 C ATOM 75 C GLN A 16 -4.331 -42.626 84.328 1.00 0.00 C ATOM 76 O GLN A 16 -3.935 -42.659 83.165 1.00 0.00 O ATOM 0 H GLN A 16 -4.473 -41.467 87.237 1.00 0.00 H new ATOM 78 N GLY A 17 -5.452 -43.215 84.734 1.00 0.00 N ATOM 79 CA GLY A 17 -6.316 -43.959 83.821 1.00 0.00 C ATOM 80 C GLY A 17 -6.917 -43.029 82.780 1.00 0.00 C ATOM 81 O GLY A 17 -6.886 -43.311 81.583 1.00 0.00 O ATOM 0 H GLY A 17 -5.786 -43.191 85.698 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.743 -44.745 83.328 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.112 -44.449 84.382 1.00 0.00 H new ATOM 83 N ASP A 18 -7.464 -41.913 83.253 1.00 0.00 N ATOM 84 CA ASP A 18 -8.083 -40.918 82.382 1.00 0.00 C ATOM 85 C ASP A 18 -7.031 -40.239 81.520 1.00 0.00 C ATOM 86 O ASP A 18 -7.340 -39.650 80.485 1.00 0.00 O ATOM 0 H ASP A 18 -7.491 -41.673 84.244 1.00 0.00 H new ATOM 88 N MET A 19 -5.780 -40.328 81.962 1.00 0.00 N ATOM 89 CA MET A 19 -4.656 -39.730 81.248 1.00 0.00 C ATOM 90 C MET A 19 -4.469 -40.396 79.895 1.00 0.00 C ATOM 91 O MET A 19 -4.291 -39.729 78.876 1.00 0.00 O ATOM 0 H MET A 19 -5.518 -40.813 82.820 1.00 0.00 H new ATOM 93 N LYS A 20 -4.511 -41.725 79.898 1.00 0.00 N ATOM 94 CA LYS A 20 -4.349 -42.514 78.680 1.00 0.00 C ATOM 95 C LYS A 20 -5.441 -42.178 77.678 1.00 0.00 C ATOM 96 O LYS A 20 -5.198 -42.091 76.476 1.00 0.00 O ATOM 0 H LYS A 20 -4.657 -42.283 80.739 1.00 0.00 H new ATOM 98 N ALA A 21 -6.654 -41.989 78.192 1.00 0.00 N ATOM 99 CA ALA A 21 -7.809 -41.659 77.363 1.00 0.00 C ATOM 100 C ALA A 21 -7.608 -40.318 76.678 1.00 0.00 C ATOM 101 O ALA A 21 -7.965 -40.137 75.515 1.00 0.00 O ATOM 0 H ALA A 21 -6.863 -42.060 79.188 1.00 0.00 H new ATOM 103 N ILE A 22 -7.028 -39.376 77.417 1.00 0.00 N ATOM 104 CA ILE A 22 -6.763 -38.035 76.904 1.00 0.00 C ATOM 105 C ILE A 22 -5.730 -38.084 75.791 1.00 0.00 C ATOM 106 O ILE A 22 -5.853 -37.398 74.778 1.00 0.00 O ATOM 0 H ILE A 22 -6.730 -39.519 78.382 1.00 0.00 H new ATOM 108 N GLY A 23 -4.705 -38.907 75.995 1.00 0.00 N ATOM 109 CA GLY A 23 -3.629 -39.069 75.021 1.00 0.00 C ATOM 110 C GLY A 23 -4.167 -39.650 73.724 1.00 0.00 C ATOM 111 O GLY A 23 -3.762 -39.253 72.633 1.00 0.00 O ATOM 0 H GLY A 23 -4.597 -39.477 76.834 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.158 -38.105 74.827 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.858 -39.724 75.427 1.00 0.00 H new ATOM 113 N GLY A 24 -5.088 -40.600 73.859 1.00 0.00 N ATOM 114 CA GLY A 24 -5.703 -41.259 72.710 1.00 0.00 C ATOM 115 C GLY A 24 -6.648 -40.307 71.994 1.00 0.00 C ATOM 116 O GLY A 24 -6.585 -40.145 70.776 1.00 0.00 O ATOM 0 H GLY A 24 -5.427 -40.933 74.761 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.930 -41.600 72.022 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.249 -42.143 73.039 1.00 0.00 H new ATOM 118 N TYR A 25 -7.527 -39.679 72.769 1.00 0.00 N ATOM 119 CA TYR A 25 -8.503 -38.734 72.234 1.00 0.00 C ATOM 120 C TYR A 25 -7.800 -37.594 71.514 1.00 0.00 C ATOM 121 O TYR A 25 -8.206 -37.181 70.429 1.00 0.00 O ATOM 0 H TYR A 25 -7.583 -39.809 73.779 1.00 0.00 H new ATOM 123 N ILE A 26 -6.736 -37.091 72.134 1.00 0.00 N ATOM 124 CA ILE A 26 -5.953 -35.994 71.574 1.00 0.00 C ATOM 125 C ILE A 26 -5.323 -36.410 70.254 1.00 0.00 C ATOM 126 O ILE A 26 -5.325 -35.655 69.283 1.00 0.00 O ATOM 0 H ILE A 26 -6.394 -37.430 73.033 1.00 0.00 H new ATOM 128 N VAL A 27 -4.784 -37.625 70.232 1.00 0.00 N ATOM 129 CA VAL A 27 -4.140 -38.171 69.041 1.00 0.00 C ATOM 130 C VAL A 27 -5.149 -38.326 67.915 1.00 0.00 C ATOM 131 O VAL A 27 -4.838 -38.099 66.746 1.00 0.00 O ATOM 0 H VAL A 27 -4.781 -38.256 71.034 1.00 0.00 H new ATOM 133 N GLY A 28 -6.366 -38.718 68.283 1.00 0.00 N ATOM 134 CA GLY A 28 -7.447 -38.913 67.321 1.00 0.00 C ATOM 135 C GLY A 28 -7.673 -37.647 66.511 1.00 0.00 C ATOM 136 O GLY A 28 -7.825 -37.691 65.291 1.00 0.00 O ATOM 0 H GLY A 28 -6.630 -38.908 69.250 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.203 -39.740 66.654 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.363 -39.185 67.845 1.00 0.00 H new ATOM 138 N ALA A 29 -7.693 -36.514 67.208 1.00 0.00 N ATOM 139 CA ALA A 29 -7.900 -35.214 66.577 1.00 0.00 C ATOM 140 C ALA A 29 -6.717 -34.857 65.692 1.00 0.00 C ATOM 141 O ALA A 29 -6.879 -34.310 64.603 1.00 0.00 O ATOM 0 H ALA A 29 -7.567 -36.471 68.219 1.00 0.00 H new ATOM 143 N LEU A 30 -5.520 -35.175 66.178 1.00 0.00 N ATOM 144 CA LEU A 30 -4.284 -34.900 65.450 1.00 0.00 C ATOM 145 C LEU A 30 -4.280 -35.624 64.114 1.00 0.00 C ATOM 146 O LEU A 30 -3.844 -35.084 63.099 1.00 0.00 O ATOM 0 H LEU A 30 -5.379 -35.627 67.081 1.00 0.00 H new ATOM 148 N VAL A 31 -4.773 -36.859 64.129 1.00 0.00 N ATOM 149 CA VAL A 31 -4.840 -37.687 62.928 1.00 0.00 C ATOM 150 C VAL A 31 -5.776 -37.066 61.904 1.00 0.00 C ATOM 151 O VAL A 31 -5.498 -37.064 60.706 1.00 0.00 O ATOM 0 H VAL A 31 -5.135 -37.312 64.968 1.00 0.00 H new ATOM 153 N ILE A 32 -6.894 -36.538 62.395 1.00 0.00 N ATOM 154 CA ILE A 32 -7.896 -35.904 61.543 1.00 0.00 C ATOM 155 C ILE A 32 -7.313 -34.681 60.853 1.00 0.00 C ATOM 156 O ILE A 32 -7.534 -34.454 59.665 1.00 0.00 O ATOM 0 H ILE A 32 -7.130 -36.537 63.387 1.00 0.00 H new ATOM 158 N LEU A 33 -6.561 -33.895 61.618 1.00 0.00 N ATOM 159 CA LEU A 33 -5.928 -32.682 61.106 1.00 0.00 C ATOM 160 C LEU A 33 -4.915 -33.026 60.026 1.00 0.00 C ATOM 161 O LEU A 33 -4.868 -32.391 58.973 1.00 0.00 O ATOM 0 H LEU A 33 -6.374 -34.078 62.604 1.00 0.00 H new ATOM 163 N ALA A 34 -4.103 -34.042 60.303 1.00 0.00 N ATOM 164 CA ALA A 34 -3.076 -34.496 59.370 1.00 0.00 C ATOM 165 C ALA A 34 -3.690 -34.823 58.019 1.00 0.00 C ATOM 166 O ALA A 34 -3.047 -34.692 56.979 1.00 0.00 O ATOM 0 H ALA A 34 -4.137 -34.571 61.174 1.00 0.00 H new ATOM 168 N VAL A 35 -4.949 -35.252 58.049 1.00 0.00 N ATOM 169 CA VAL A 35 -5.681 -35.608 56.837 1.00 0.00 C ATOM 170 C VAL A 35 -5.740 -34.425 55.884 1.00 0.00 C ATOM 171 O VAL A 35 -5.732 -34.589 54.665 1.00 0.00 O ATOM 0 H VAL A 35 -5.488 -35.362 58.908 1.00 0.00 H new ATOM 173 N ALA A 36 -5.800 -33.227 56.458 1.00 0.00 N ATOM 174 CA ALA A 36 -5.862 -31.992 55.682 1.00 0.00 C ATOM 175 C ALA A 36 -4.549 -31.755 54.953 1.00 0.00 C ATOM 176 O ALA A 36 -4.530 -31.324 53.801 1.00 0.00 O ATOM 0 H ALA A 36 -5.807 -33.085 57.468 1.00 0.00 H new ATOM 178 N GLY A 37 -3.449 -32.044 55.642 1.00 0.00 N ATOM 179 CA GLY A 37 -2.111 -31.872 55.084 1.00 0.00 C ATOM 180 C GLY A 37 -1.989 -32.607 53.759 1.00 0.00 C ATOM 181 O GLY A 37 -1.543 -32.046 52.759 1.00 0.00 O ATOM 0 H GLY A 37 -3.459 -32.402 56.597 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.905 -30.812 54.939 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.367 -32.249 55.786 1.00 0.00 H new ATOM 183 N LEU A 38 -2.391 -33.875 53.765 1.00 0.00 N ATOM 184 CA LEU A 38 -2.338 -34.716 52.574 1.00 0.00 C ATOM 185 C LEU A 38 -3.274 -34.181 51.502 1.00 0.00 C ATOM 186 O LEU A 38 -2.909 -34.078 50.332 1.00 0.00 O ATOM 0 H LEU A 38 -2.761 -34.346 54.591 1.00 0.00 H new ATOM 188 N ILE A 39 -4.491 -33.841 51.919 1.00 0.00 N ATOM 189 CA ILE A 39 -5.506 -33.311 51.014 1.00 0.00 C ATOM 190 C ILE A 39 -4.980 -32.087 50.282 1.00 0.00 C ATOM 191 O ILE A 39 -5.115 -31.967 49.065 1.00 0.00 O ATOM 0 H ILE A 39 -4.800 -33.925 52.888 1.00 0.00 H new ATOM 193 N TYR A 40 -4.376 -31.179 51.042 1.00 0.00 N ATOM 194 CA TYR A 40 -3.817 -29.948 50.491 1.00 0.00 C ATOM 195 C TYR A 40 -2.667 -30.261 49.548 1.00 0.00 C ATOM 196 O TYR A 40 -2.562 -29.693 48.462 1.00 0.00 O ATOM 0 H TYR A 40 -4.260 -31.274 52.051 1.00 0.00 H new ATOM 198 N SER A 41 -1.803 -31.176 49.978 1.00 0.00 N ATOM 199 CA SER A 41 -0.646 -31.588 49.190 1.00 0.00 C ATOM 200 C SER A 41 -1.089 -32.173 47.859 1.00 0.00 C ATOM 201 O SER A 41 -0.472 -31.934 46.822 1.00 0.00 O ATOM 0 H SER A 41 -1.884 -31.650 50.877 1.00 0.00 H new ATOM 203 N MET A 42 -2.170 -32.946 47.903 1.00 0.00 N ATOM 204 CA MET A 42 -2.723 -33.583 46.710 1.00 0.00 C ATOM 205 C MET A 42 -3.299 -32.539 45.768 1.00 0.00 C ATOM 206 O MET A 42 -3.127 -32.614 44.553 1.00 0.00 O ATOM 0 H MET A 42 -2.685 -33.148 48.760 1.00 0.00 H new ATOM 208 N LEU A 43 -3.989 -31.560 46.348 1.00 0.00 N ATOM 209 CA LEU A 43 -4.606 -30.481 45.582 1.00 0.00 C ATOM 210 C LEU A 43 -3.550 -29.499 45.100 1.00 0.00 C ATOM 211 O LEU A 43 -3.662 -28.926 44.018 1.00 0.00 O ATOM 0 H LEU A 43 -4.135 -31.492 47.355 1.00 0.00 H new ATOM 213 N ARG A 44 -2.520 -29.313 45.921 1.00 0.00 N ATOM 214 CA ARG A 44 -1.424 -28.403 45.603 1.00 0.00 C ATOM 215 C ARG A 44 -0.456 -29.055 44.629 1.00 0.00 C ATOM 216 O ARG A 44 0.282 -28.377 43.916 1.00 0.00 O ATOM 0 H ARG A 44 -2.422 -29.785 46.820 1.00 0.00 H new ATOM 218 N LYS A 45 -0.470 -30.385 44.608 1.00 0.00 N ATOM 219 CA LYS A 45 0.399 -31.161 43.728 1.00 0.00 C ATOM 220 C LYS A 45 -0.393 -31.725 42.560 1.00 0.00 C ATOM 221 O LYS A 45 0.124 -31.875 41.454 1.00 0.00 O ATOM 0 H LYS A 45 -1.080 -30.952 45.197 1.00 0.00 H new ATOM 223 N ALA A 46 -1.660 -32.036 42.821 1.00 0.00 N ATOM 224 CA ALA A 46 -2.553 -32.588 41.807 1.00 0.00 C ATOM 0 H ALA A 46 -2.094 -31.913 43.736 1.00 0.00 H new