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 -15.768 -12.270 79.179 1.00 0.00 C ATOM 2 C GLY A 1 -17.281 -12.192 79.066 1.00 0.00 C ATOM 3 N VAL A 2 -17.959 -13.020 79.856 1.00 0.00 N ATOM 4 CA VAL A 2 -19.419 -13.068 79.867 1.00 0.00 C ATOM 5 C VAL A 2 -19.993 -11.710 80.236 1.00 0.00 C ATOM 6 O VAL A 2 -20.873 -11.185 79.555 1.00 0.00 O ATOM 0 H VAL A 2 -17.516 -13.673 80.503 1.00 0.00 H new ATOM 8 N ILE A 3 -19.481 -11.147 81.327 1.00 0.00 N ATOM 9 CA ILE A 3 -19.925 -9.844 81.814 1.00 0.00 C ATOM 10 C ILE A 3 -19.533 -8.748 80.836 1.00 0.00 C ATOM 11 O ILE A 3 -20.211 -7.729 80.718 1.00 0.00 O ATOM 0 H ILE A 3 -18.752 -11.578 81.895 1.00 0.00 H new ATOM 13 N ASP A 4 -18.426 -8.973 80.135 1.00 0.00 N ATOM 14 CA ASP A 4 -17.916 -8.019 79.155 1.00 0.00 C ATOM 15 C ASP A 4 -18.986 -7.686 78.128 1.00 0.00 C ATOM 16 O ASP A 4 -19.257 -6.520 77.847 1.00 0.00 O ATOM 0 H ASP A 4 -17.860 -9.816 80.229 1.00 0.00 H new ATOM 18 N THR A 5 -19.592 -8.731 77.571 1.00 0.00 N ATOM 19 CA THR A 5 -20.642 -8.580 76.568 1.00 0.00 C ATOM 20 C THR A 5 -20.905 -7.109 76.290 1.00 0.00 C ATOM 21 O THR A 5 -20.987 -6.683 75.139 1.00 0.00 O ATOM 0 H THR A 5 -19.371 -9.700 77.800 1.00 0.00 H new ATOM 23 N SER A 6 -21.038 -6.336 77.364 1.00 0.00 N ATOM 24 CA SER A 6 -21.294 -4.902 77.267 1.00 0.00 C ATOM 25 C SER A 6 -20.174 -4.211 76.507 1.00 0.00 C ATOM 26 O SER A 6 -20.358 -3.750 75.381 1.00 0.00 O ATOM 0 H SER A 6 -20.972 -6.683 78.321 1.00 0.00 H new ATOM 28 N ALA A 7 -19.005 -4.146 77.139 1.00 0.00 N ATOM 29 CA ALA A 7 -17.830 -3.516 76.543 1.00 0.00 C ATOM 30 C ALA A 7 -17.350 -4.312 75.342 1.00 0.00 C ATOM 31 O ALA A 7 -16.789 -3.761 74.396 1.00 0.00 O ATOM 0 H ALA A 7 -18.846 -4.526 78.072 1.00 0.00 H new ATOM 33 N VAL A 8 -17.578 -5.622 75.392 1.00 0.00 N ATOM 34 CA VAL A 8 -17.177 -6.525 74.317 1.00 0.00 C ATOM 35 C VAL A 8 -17.830 -6.116 73.007 1.00 0.00 C ATOM 36 O VAL A 8 -17.194 -6.107 71.954 1.00 0.00 O ATOM 0 H VAL A 8 -18.043 -6.085 76.173 1.00 0.00 H new ATOM 38 N GLU A 9 -19.113 -5.775 73.086 1.00 0.00 N ATOM 39 CA GLU A 9 -19.883 -5.358 71.917 1.00 0.00 C ATOM 40 C GLU A 9 -19.111 -4.326 71.111 1.00 0.00 C ATOM 41 O GLU A 9 -19.020 -4.413 69.888 1.00 0.00 O ATOM 0 H GLU A 9 -19.646 -5.779 73.956 1.00 0.00 H new ATOM 43 N SER A 10 -18.555 -3.345 71.816 1.00 0.00 N ATOM 44 CA SER A 10 -17.781 -2.277 71.191 1.00 0.00 C ATOM 45 C SER A 10 -16.621 -2.855 70.398 1.00 0.00 C ATOM 46 O SER A 10 -16.376 -2.469 69.256 1.00 0.00 O ATOM 0 H SER A 10 -18.627 -3.268 72.830 1.00 0.00 H new ATOM 48 N ALA A 11 -15.907 -3.788 71.021 1.00 0.00 N ATOM 49 CA ALA A 11 -14.761 -4.441 70.395 1.00 0.00 C ATOM 50 C ALA A 11 -15.205 -5.264 69.197 1.00 0.00 C ATOM 51 O ALA A 11 -14.496 -5.368 68.198 1.00 0.00 O ATOM 0 H ALA A 11 -16.104 -4.111 71.968 1.00 0.00 H new ATOM 53 N ILE A 12 -16.394 -5.850 69.312 1.00 0.00 N ATOM 54 CA ILE A 12 -16.963 -6.675 68.250 1.00 0.00 C ATOM 55 C ILE A 12 -17.189 -5.846 66.996 1.00 0.00 C ATOM 56 O ILE A 12 -16.932 -6.297 65.881 1.00 0.00 O ATOM 0 H ILE A 12 -16.987 -5.767 70.138 1.00 0.00 H new ATOM 58 N THR A 13 -17.676 -4.625 67.195 1.00 0.00 N ATOM 59 CA THR A 13 -17.949 -3.705 66.094 1.00 0.00 C ATOM 60 C THR A 13 -16.659 -3.327 65.384 1.00 0.00 C ATOM 61 O THR A 13 -16.629 -3.158 64.166 1.00 0.00 O ATOM 0 H THR A 13 -17.892 -4.246 68.117 1.00 0.00 H new ATOM 63 N ASP A 14 -15.590 -3.197 66.165 1.00 0.00 N ATOM 64 CA ASP A 14 -14.277 -2.838 65.637 1.00 0.00 C ATOM 65 C ASP A 14 -13.589 -4.059 65.048 1.00 0.00 C ATOM 66 O ASP A 14 -13.330 -4.126 63.847 1.00 0.00 O ATOM 0 H ASP A 14 -15.609 -3.336 67.175 1.00 0.00 H new ATOM 68 N GLY A 15 -13.294 -5.025 65.913 1.00 0.00 N ATOM 69 CA GLY A 15 -12.633 -6.261 65.505 1.00 0.00 C ATOM 70 C GLY A 15 -13.470 -6.999 64.474 1.00 0.00 C ATOM 71 O GLY A 15 -13.096 -7.104 63.307 1.00 0.00 O ATOM 0 H GLY A 15 -13.505 -4.974 66.910 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.651 -6.035 65.090 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.472 -6.898 66.375 1.00 0.00 H new ATOM 73 N GLN A 16 -14.614 -7.509 64.921 1.00 0.00 N ATOM 74 CA GLN A 16 -15.531 -8.246 64.056 1.00 0.00 C ATOM 75 C GLN A 16 -16.095 -7.334 62.978 1.00 0.00 C ATOM 76 O GLN A 16 -16.205 -7.716 61.815 1.00 0.00 O ATOM 0 H GLN A 16 -14.931 -7.424 65.887 1.00 0.00 H new ATOM 78 N GLY A 17 -16.451 -6.118 63.384 1.00 0.00 N ATOM 79 CA GLY A 17 -17.009 -5.124 62.471 1.00 0.00 C ATOM 80 C GLY A 17 -15.979 -4.719 61.430 1.00 0.00 C ATOM 81 O GLY A 17 -16.261 -4.693 60.233 1.00 0.00 O ATOM 0 H GLY A 17 -16.362 -5.795 64.348 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.892 -5.530 61.978 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -17.332 -4.247 63.032 1.00 0.00 H new ATOM 83 N ASP A 18 -14.777 -4.403 61.903 1.00 0.00 N ATOM 84 CA ASP A 18 -13.678 -3.994 61.032 1.00 0.00 C ATOM 85 C ASP A 18 -13.221 -5.159 60.170 1.00 0.00 C ATOM 86 O ASP A 18 -12.583 -4.972 59.135 1.00 0.00 O ATOM 0 H ASP A 18 -14.537 -4.423 62.894 1.00 0.00 H new ATOM 88 N MET A 19 -13.556 -6.368 60.612 1.00 0.00 N ATOM 89 CA MET A 19 -13.191 -7.588 59.898 1.00 0.00 C ATOM 90 C MET A 19 -13.882 -7.640 58.545 1.00 0.00 C ATOM 91 O MET A 19 -13.263 -7.946 57.526 1.00 0.00 O ATOM 0 H MET A 19 -14.085 -6.529 61.469 1.00 0.00 H new ATOM 93 N LYS A 20 -15.176 -7.335 58.548 1.00 0.00 N ATOM 94 CA LYS A 20 -15.982 -7.338 57.330 1.00 0.00 C ATOM 95 C LYS A 20 -15.436 -6.334 56.328 1.00 0.00 C ATOM 96 O LYS A 20 -15.399 -6.590 55.126 1.00 0.00 O ATOM 0 H LYS A 20 -15.694 -7.080 59.389 1.00 0.00 H new ATOM 98 N ALA A 21 -15.011 -5.183 56.842 1.00 0.00 N ATOM 99 CA ALA A 21 -14.459 -4.115 56.013 1.00 0.00 C ATOM 100 C ALA A 21 -13.184 -4.578 55.328 1.00 0.00 C ATOM 101 O ALA A 21 -12.936 -4.263 54.165 1.00 0.00 O ATOM 0 H ALA A 21 -15.039 -4.965 57.838 1.00 0.00 H new ATOM 103 N ILE A 22 -12.376 -5.333 56.067 1.00 0.00 N ATOM 104 CA ILE A 22 -11.113 -5.857 55.554 1.00 0.00 C ATOM 105 C ILE A 22 -11.366 -6.861 54.441 1.00 0.00 C ATOM 106 O ILE A 22 -10.669 -6.876 53.428 1.00 0.00 O ATOM 0 H ILE A 22 -12.576 -5.598 57.032 1.00 0.00 H new ATOM 108 N GLY A 23 -12.376 -7.702 54.645 1.00 0.00 N ATOM 109 CA GLY A 23 -12.746 -8.726 53.671 1.00 0.00 C ATOM 110 C GLY A 23 -13.210 -8.083 52.374 1.00 0.00 C ATOM 111 O GLY A 23 -12.901 -8.559 51.283 1.00 0.00 O ATOM 0 H GLY A 23 -12.957 -7.694 55.483 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.893 -9.377 53.477 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.540 -9.353 54.077 1.00 0.00 H new ATOM 113 N GLY A 24 -13.959 -6.992 52.509 1.00 0.00 N ATOM 114 CA GLY A 24 -14.483 -6.259 51.360 1.00 0.00 C ATOM 115 C GLY A 24 -13.364 -5.521 50.644 1.00 0.00 C ATOM 116 O GLY A 24 -13.217 -5.615 49.426 1.00 0.00 O ATOM 0 H GLY A 24 -14.219 -6.593 53.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.970 -6.950 50.672 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.242 -5.549 51.689 1.00 0.00 H new ATOM 118 N TYR A 25 -12.574 -4.783 51.419 1.00 0.00 N ATOM 119 CA TYR A 25 -11.454 -4.014 50.884 1.00 0.00 C ATOM 120 C TYR A 25 -10.477 -4.928 50.164 1.00 0.00 C ATOM 121 O TYR A 25 -9.991 -4.612 49.079 1.00 0.00 O ATOM 0 H TYR A 25 -12.691 -4.701 52.429 1.00 0.00 H new ATOM 123 N ILE A 26 -10.194 -6.070 50.784 1.00 0.00 N ATOM 124 CA ILE A 26 -9.273 -7.055 50.224 1.00 0.00 C ATOM 125 C ILE A 26 -9.805 -7.590 48.904 1.00 0.00 C ATOM 126 O ILE A 26 -9.065 -7.738 47.933 1.00 0.00 O ATOM 0 H ILE A 26 -10.594 -6.338 51.683 1.00 0.00 H new ATOM 128 N VAL A 27 -11.103 -7.879 48.882 1.00 0.00 N ATOM 129 CA VAL A 27 -11.766 -8.402 47.691 1.00 0.00 C ATOM 130 C VAL A 27 -11.718 -7.382 46.565 1.00 0.00 C ATOM 131 O VAL A 27 -11.557 -7.731 45.396 1.00 0.00 O ATOM 0 H VAL A 27 -11.722 -7.758 49.684 1.00 0.00 H new ATOM 133 N GLY A 28 -11.861 -6.112 46.933 1.00 0.00 N ATOM 134 CA GLY A 28 -11.839 -5.014 45.971 1.00 0.00 C ATOM 135 C GLY A 28 -10.553 -5.042 45.161 1.00 0.00 C ATOM 136 O GLY A 28 -10.566 -4.884 43.941 1.00 0.00 O ATOM 0 H GLY A 28 -11.995 -5.816 47.900 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.698 -5.090 45.304 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.925 -4.062 46.495 1.00 0.00 H new ATOM 138 N ALA A 29 -9.439 -5.246 45.858 1.00 0.00 N ATOM 139 CA ALA A 29 -8.123 -5.301 45.227 1.00 0.00 C ATOM 140 C ALA A 29 -8.008 -6.532 44.342 1.00 0.00 C ATOM 141 O ALA A 29 -7.439 -6.481 43.253 1.00 0.00 O ATOM 0 H ALA A 29 -9.422 -5.377 46.869 1.00 0.00 H new ATOM 143 N LEU A 30 -8.556 -7.642 44.828 1.00 0.00 N ATOM 144 CA LEU A 30 -8.530 -8.907 44.100 1.00 0.00 C ATOM 145 C LEU A 30 -9.241 -8.768 42.764 1.00 0.00 C ATOM 146 O LEU A 30 -8.798 -9.302 41.749 1.00 0.00 O ATOM 0 H LEU A 30 -9.028 -7.691 45.731 1.00 0.00 H new ATOM 148 N VAL A 31 -10.354 -8.040 42.779 1.00 0.00 N ATOM 149 CA VAL A 31 -11.153 -7.812 41.578 1.00 0.00 C ATOM 150 C VAL A 31 -10.359 -7.016 40.554 1.00 0.00 C ATOM 151 O VAL A 31 -10.412 -7.289 39.356 1.00 0.00 O ATOM 0 H VAL A 31 -10.726 -7.594 43.618 1.00 0.00 H new ATOM 153 N ILE A 32 -9.620 -6.025 41.045 1.00 0.00 N ATOM 154 CA ILE A 32 -8.800 -5.168 40.193 1.00 0.00 C ATOM 155 C ILE A 32 -7.717 -5.982 39.503 1.00 0.00 C ATOM 156 O ILE A 32 -7.451 -5.810 38.315 1.00 0.00 O ATOM 0 H ILE A 32 -9.572 -5.794 42.037 1.00 0.00 H new ATOM 158 N LEU A 33 -7.095 -6.875 40.268 1.00 0.00 N ATOM 159 CA LEU A 33 -6.032 -7.734 39.756 1.00 0.00 C ATOM 160 C LEU A 33 -6.569 -8.659 38.676 1.00 0.00 C ATOM 161 O LEU A 33 -5.956 -8.831 37.623 1.00 0.00 O ATOM 0 H LEU A 33 -7.312 -7.023 41.254 1.00 0.00 H new ATOM 163 N ALA A 34 -7.725 -9.255 38.953 1.00 0.00 N ATOM 164 CA ALA A 34 -8.373 -10.172 38.020 1.00 0.00 C ATOM 165 C ALA A 34 -8.573 -9.505 36.669 1.00 0.00 C ATOM 166 O ALA A 34 -8.572 -10.161 35.629 1.00 0.00 O ATOM 0 H ALA A 34 -8.236 -9.117 39.825 1.00 0.00 H new ATOM 168 N VAL A 35 -8.744 -8.186 36.699 1.00 0.00 N ATOM 169 CA VAL A 35 -8.948 -7.398 35.487 1.00 0.00 C ATOM 170 C VAL A 35 -7.777 -7.574 34.534 1.00 0.00 C ATOM 171 O VAL A 35 -7.939 -7.549 33.315 1.00 0.00 O ATOM 0 H VAL A 35 -8.745 -7.636 37.558 1.00 0.00 H new ATOM 173 N ALA A 36 -6.591 -7.752 35.108 1.00 0.00 N ATOM 174 CA ALA A 36 -5.368 -7.936 34.332 1.00 0.00 C ATOM 175 C ALA A 36 -5.396 -9.270 33.603 1.00 0.00 C ATOM 176 O ALA A 36 -4.977 -9.374 32.451 1.00 0.00 O ATOM 0 H ALA A 36 -6.450 -7.773 36.118 1.00 0.00 H new ATOM 178 N GLY A 37 -5.896 -10.291 34.292 1.00 0.00 N ATOM 179 CA GLY A 37 -5.992 -11.637 33.734 1.00 0.00 C ATOM 180 C GLY A 37 -6.737 -11.611 32.409 1.00 0.00 C ATOM 181 O GLY A 37 -6.275 -12.158 31.409 1.00 0.00 O ATOM 0 H GLY A 37 -6.244 -10.211 35.247 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.993 -12.049 33.589 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.508 -12.292 34.436 1.00 0.00 H new ATOM 183 N LEU A 38 -7.900 -10.966 32.415 1.00 0.00 N ATOM 184 CA LEU A 38 -8.735 -10.851 31.224 1.00 0.00 C ATOM 185 C LEU A 38 -8.026 -10.039 30.152 1.00 0.00 C ATOM 186 O LEU A 38 -7.997 -10.418 28.982 1.00 0.00 O ATOM 0 H LEU A 38 -8.288 -10.511 33.241 1.00 0.00 H new ATOM 188 N ILE A 39 -7.452 -8.914 30.569 1.00 0.00 N ATOM 189 CA ILE A 39 -6.732 -8.024 29.664 1.00 0.00 C ATOM 190 C ILE A 39 -5.636 -8.781 28.932 1.00 0.00 C ATOM 191 O ILE A 39 -5.491 -8.673 27.715 1.00 0.00 O ATOM 0 H ILE A 39 -7.472 -8.595 31.538 1.00 0.00 H new ATOM 193 N TYR A 40 -4.865 -9.553 29.692 1.00 0.00 N ATOM 194 CA TYR A 40 -3.769 -10.345 29.141 1.00 0.00 C ATOM 195 C TYR A 40 -4.303 -11.410 28.198 1.00 0.00 C ATOM 196 O TYR A 40 -3.767 -11.625 27.112 1.00 0.00 O ATOM 0 H TYR A 40 -4.981 -9.647 30.701 1.00 0.00 H new ATOM 198 N SER A 41 -5.371 -12.076 28.628 1.00 0.00 N ATOM 199 CA SER A 41 -6.004 -13.129 27.840 1.00 0.00 C ATOM 200 C SER A 41 -6.490 -12.579 26.509 1.00 0.00 C ATOM 201 O SER A 41 -6.377 -13.231 25.472 1.00 0.00 O ATOM 0 H SER A 41 -5.820 -11.902 29.527 1.00 0.00 H new ATOM 203 N MET A 42 -7.034 -11.366 26.553 1.00 0.00 N ATOM 204 CA MET A 42 -7.548 -10.699 25.360 1.00 0.00 C ATOM 205 C MET A 42 -6.411 -10.340 24.418 1.00 0.00 C ATOM 206 O MET A 42 -6.518 -10.493 23.203 1.00 0.00 O ATOM 0 H MET A 42 -7.131 -10.821 27.410 1.00 0.00 H new ATOM 208 N LEU A 43 -5.315 -9.858 24.998 1.00 0.00 N ATOM 209 CA LEU A 43 -4.135 -9.466 24.232 1.00 0.00 C ATOM 210 C LEU A 43 -3.382 -10.695 23.750 1.00 0.00 C ATOM 211 O LEU A 43 -2.797 -10.699 22.668 1.00 0.00 O ATOM 0 H LEU A 43 -5.220 -9.729 26.005 1.00 0.00 H new ATOM 213 N ARG A 44 -3.403 -11.741 24.571 1.00 0.00 N ATOM 214 CA ARG A 44 -2.728 -12.996 24.253 1.00 0.00 C ATOM 215 C ARG A 44 -3.558 -13.815 23.279 1.00 0.00 C ATOM 216 O ARG A 44 -3.040 -14.673 22.566 1.00 0.00 O ATOM 0 H ARG A 44 -3.885 -11.744 25.470 1.00 0.00 H new ATOM 218 N LYS A 45 -4.859 -13.539 23.258 1.00 0.00 N ATOM 219 CA LYS A 45 -5.791 -14.237 22.378 1.00 0.00 C ATOM 220 C LYS A 45 -6.188 -13.349 21.210 1.00 0.00 C ATOM 221 O LYS A 45 -6.437 -13.826 20.104 1.00 0.00 O ATOM 0 H LYS A 45 -5.295 -12.829 23.847 1.00 0.00 H new ATOM 223 N ALA A 46 -6.242 -12.046 21.471 1.00 0.00 N ATOM 224 CA ALA A 46 -6.607 -11.062 20.457 1.00 0.00 C ATOM 0 H ALA A 46 -6.035 -11.644 22.386 1.00 0.00 H new TER 226 ALA A 46