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 22.523 -8.873 106.629 1.00 0.00 C ATOM 2 C GLY A 1 23.491 -7.707 106.516 1.00 0.00 C ATOM 3 N VAL A 2 23.234 -6.668 107.306 1.00 0.00 N ATOM 4 CA VAL A 2 24.069 -5.470 107.317 1.00 0.00 C ATOM 5 C VAL A 2 25.501 -5.823 107.686 1.00 0.00 C ATOM 6 O VAL A 2 26.448 -5.432 107.005 1.00 0.00 O ATOM 0 H VAL A 2 22.446 -6.632 107.953 1.00 0.00 H new ATOM 8 N ILE A 3 25.646 -6.570 108.777 1.00 0.00 N ATOM 9 CA ILE A 3 26.955 -6.994 109.264 1.00 0.00 C ATOM 10 C ILE A 3 27.598 -7.964 108.286 1.00 0.00 C ATOM 11 O ILE A 3 28.821 -8.032 108.168 1.00 0.00 O ATOM 0 H ILE A 3 24.865 -6.897 109.345 1.00 0.00 H new ATOM 13 N ASP A 4 26.755 -8.716 107.585 1.00 0.00 N ATOM 14 CA ASP A 4 27.215 -9.697 106.605 1.00 0.00 C ATOM 15 C ASP A 4 28.122 -9.038 105.578 1.00 0.00 C ATOM 16 O ASP A 4 29.218 -9.519 105.297 1.00 0.00 O ATOM 0 H ASP A 4 25.741 -8.664 107.678 1.00 0.00 H new ATOM 18 N THR A 5 27.648 -7.927 105.021 1.00 0.00 N ATOM 19 CA THR A 5 28.397 -7.177 104.018 1.00 0.00 C ATOM 20 C THR A 5 29.733 -7.846 103.740 1.00 0.00 C ATOM 21 O THR A 5 30.123 -8.036 102.589 1.00 0.00 O ATOM 0 H THR A 5 26.740 -7.523 105.250 1.00 0.00 H new ATOM 23 N SER A 6 30.431 -8.203 104.814 1.00 0.00 N ATOM 24 CA SER A 6 31.733 -8.856 104.717 1.00 0.00 C ATOM 25 C SER A 6 31.616 -10.167 103.957 1.00 0.00 C ATOM 26 O SER A 6 32.096 -10.294 102.831 1.00 0.00 O ATOM 0 H SER A 6 30.113 -8.049 105.771 1.00 0.00 H new ATOM 28 N ALA A 7 30.969 -11.142 104.589 1.00 0.00 N ATOM 29 CA ALA A 7 30.771 -12.460 103.993 1.00 0.00 C ATOM 30 C ALA A 7 29.845 -12.368 102.792 1.00 0.00 C ATOM 31 O ALA A 7 29.951 -13.148 101.846 1.00 0.00 O ATOM 0 H ALA A 7 30.570 -11.042 105.522 1.00 0.00 H new ATOM 33 N VAL A 8 28.933 -11.402 102.842 1.00 0.00 N ATOM 34 CA VAL A 8 27.969 -11.182 101.767 1.00 0.00 C ATOM 35 C VAL A 8 28.688 -10.904 100.457 1.00 0.00 C ATOM 36 O VAL A 8 28.314 -11.419 99.404 1.00 0.00 O ATOM 0 H VAL A 8 28.841 -10.753 103.623 1.00 0.00 H new ATOM 38 N GLU A 9 29.729 -10.080 100.536 1.00 0.00 N ATOM 39 CA GLU A 9 30.524 -9.713 99.367 1.00 0.00 C ATOM 40 C GLU A 9 30.888 -10.949 98.561 1.00 0.00 C ATOM 41 O GLU A 9 30.763 -10.970 97.338 1.00 0.00 O ATOM 0 H GLU A 9 30.044 -9.650 101.406 1.00 0.00 H new ATOM 43 N SER A 10 31.341 -11.981 99.266 1.00 0.00 N ATOM 44 CA SER A 10 31.734 -13.241 98.641 1.00 0.00 C ATOM 45 C SER A 10 30.576 -13.825 97.848 1.00 0.00 C ATOM 46 O SER A 10 30.739 -14.251 96.706 1.00 0.00 O ATOM 0 H SER A 10 31.446 -11.969 100.281 1.00 0.00 H new ATOM 48 N ALA A 11 29.401 -13.838 98.471 1.00 0.00 N ATOM 49 CA ALA A 11 28.192 -14.365 97.845 1.00 0.00 C ATOM 50 C ALA A 11 27.799 -13.516 96.647 1.00 0.00 C ATOM 51 O ALA A 11 27.291 -14.022 95.648 1.00 0.00 O ATOM 0 H ALA A 11 29.260 -13.486 99.418 1.00 0.00 H new ATOM 53 N ILE A 12 28.041 -12.213 96.762 1.00 0.00 N ATOM 54 CA ILE A 12 27.721 -11.264 95.700 1.00 0.00 C ATOM 55 C ILE A 12 28.520 -11.579 94.446 1.00 0.00 C ATOM 56 O ILE A 12 28.005 -11.515 93.331 1.00 0.00 O ATOM 0 H ILE A 12 28.462 -11.787 97.588 1.00 0.00 H new ATOM 58 N THR A 13 29.790 -11.920 94.645 1.00 0.00 N ATOM 59 CA THR A 13 30.690 -12.252 93.544 1.00 0.00 C ATOM 60 C THR A 13 30.220 -13.511 92.834 1.00 0.00 C ATOM 61 O THR A 13 30.338 -13.636 91.616 1.00 0.00 O ATOM 0 H THR A 13 30.222 -11.974 95.567 1.00 0.00 H new ATOM 63 N ASP A 14 29.685 -14.446 93.615 1.00 0.00 N ATOM 64 CA ASP A 14 29.187 -15.712 93.087 1.00 0.00 C ATOM 65 C ASP A 14 27.797 -15.533 92.498 1.00 0.00 C ATOM 66 O ASP A 14 27.589 -15.700 91.297 1.00 0.00 O ATOM 0 H ASP A 14 29.585 -14.348 94.625 1.00 0.00 H new ATOM 68 N GLY A 15 26.846 -15.190 93.363 1.00 0.00 N ATOM 69 CA GLY A 15 25.460 -14.981 92.955 1.00 0.00 C ATOM 70 C GLY A 15 25.371 -13.868 91.924 1.00 0.00 C ATOM 71 O GLY A 15 25.062 -14.106 90.757 1.00 0.00 O ATOM 0 H GLY A 15 27.013 -15.050 94.360 1.00 0.00 H new ATOM 0 HA2 GLY A 15 25.054 -15.903 92.539 1.00 0.00 H new ATOM 0 HA3 GLY A 15 24.853 -14.729 93.824 1.00 0.00 H new ATOM 73 N GLN A 16 25.646 -12.646 92.371 1.00 0.00 N ATOM 74 CA GLN A 16 25.605 -11.471 91.506 1.00 0.00 C ATOM 75 C GLN A 16 26.674 -11.565 90.428 1.00 0.00 C ATOM 76 O GLN A 16 26.433 -11.248 89.265 1.00 0.00 O ATOM 0 H GLN A 16 25.902 -12.443 93.337 1.00 0.00 H new ATOM 78 N GLY A 17 27.861 -12.008 90.834 1.00 0.00 N ATOM 79 CA GLY A 17 28.991 -12.156 89.921 1.00 0.00 C ATOM 80 C GLY A 17 28.698 -13.223 88.880 1.00 0.00 C ATOM 81 O GLY A 17 28.888 -13.013 87.683 1.00 0.00 O ATOM 0 H GLY A 17 28.066 -12.273 91.797 1.00 0.00 H new ATOM 0 HA2 GLY A 17 29.195 -11.205 89.428 1.00 0.00 H new ATOM 0 HA3 GLY A 17 29.887 -12.423 90.482 1.00 0.00 H new ATOM 83 N ASP A 18 28.232 -14.375 89.353 1.00 0.00 N ATOM 84 CA ASP A 18 27.902 -15.500 88.482 1.00 0.00 C ATOM 85 C ASP A 18 26.695 -15.169 87.620 1.00 0.00 C ATOM 86 O ASP A 18 26.463 -15.792 86.585 1.00 0.00 O ATOM 0 H ASP A 18 28.073 -14.555 90.344 1.00 0.00 H new ATOM 88 N MET A 19 25.928 -14.177 88.062 1.00 0.00 N ATOM 89 CA MET A 19 24.732 -13.739 87.348 1.00 0.00 C ATOM 90 C MET A 19 25.104 -13.155 85.995 1.00 0.00 C ATOM 91 O MET A 19 24.488 -13.467 84.976 1.00 0.00 O ATOM 0 H MET A 19 26.116 -13.657 88.919 1.00 0.00 H new ATOM 93 N LYS A 20 26.122 -12.300 85.998 1.00 0.00 N ATOM 94 CA LYS A 20 26.602 -11.653 84.780 1.00 0.00 C ATOM 95 C LYS A 20 27.080 -12.692 83.778 1.00 0.00 C ATOM 96 O LYS A 20 26.853 -12.568 82.576 1.00 0.00 O ATOM 0 H LYS A 20 26.635 -12.037 86.839 1.00 0.00 H new ATOM 98 N ALA A 21 27.748 -13.721 84.292 1.00 0.00 N ATOM 99 CA ALA A 21 28.273 -14.802 83.463 1.00 0.00 C ATOM 100 C ALA A 21 27.139 -15.546 82.778 1.00 0.00 C ATOM 101 O ALA A 21 27.243 -15.933 81.615 1.00 0.00 O ATOM 0 H ALA A 21 27.940 -13.829 85.288 1.00 0.00 H new ATOM 103 N ILE A 22 26.050 -15.742 83.517 1.00 0.00 N ATOM 104 CA ILE A 22 24.875 -16.440 83.004 1.00 0.00 C ATOM 105 C ILE A 22 24.222 -15.636 81.891 1.00 0.00 C ATOM 106 O ILE A 22 23.793 -16.186 80.878 1.00 0.00 O ATOM 0 H ILE A 22 25.957 -15.424 84.482 1.00 0.00 H new ATOM 108 N GLY A 23 24.152 -14.324 82.095 1.00 0.00 N ATOM 109 CA GLY A 23 23.554 -13.414 81.121 1.00 0.00 C ATOM 110 C GLY A 23 24.346 -13.427 79.824 1.00 0.00 C ATOM 111 O GLY A 23 23.781 -13.391 78.733 1.00 0.00 O ATOM 0 H GLY A 23 24.505 -13.863 82.934 1.00 0.00 H new ATOM 0 HA2 GLY A 23 22.522 -13.707 80.927 1.00 0.00 H new ATOM 0 HA3 GLY A 23 23.527 -12.403 81.528 1.00 0.00 H new ATOM 113 N GLY A 24 25.669 -13.480 79.959 1.00 0.00 N ATOM 114 CA GLY A 24 26.570 -13.499 78.810 1.00 0.00 C ATOM 115 C GLY A 24 26.491 -14.838 78.094 1.00 0.00 C ATOM 116 O GLY A 24 26.328 -14.899 76.876 1.00 0.00 O ATOM 0 H GLY A 24 26.144 -13.511 80.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 26.308 -12.696 78.121 1.00 0.00 H new ATOM 0 HA3 GLY A 24 27.593 -13.316 79.139 1.00 0.00 H new ATOM 118 N TYR A 25 26.609 -15.912 78.869 1.00 0.00 N ATOM 119 CA TYR A 25 26.555 -17.270 78.334 1.00 0.00 C ATOM 120 C TYR A 25 25.238 -17.506 77.614 1.00 0.00 C ATOM 121 O TYR A 25 25.201 -18.084 76.529 1.00 0.00 O ATOM 0 H TYR A 25 26.744 -15.867 79.879 1.00 0.00 H new ATOM 123 N ILE A 26 24.154 -17.049 78.234 1.00 0.00 N ATOM 124 CA ILE A 26 22.814 -17.196 77.674 1.00 0.00 C ATOM 125 C ILE A 26 22.703 -16.450 76.354 1.00 0.00 C ATOM 126 O ILE A 26 22.142 -16.955 75.383 1.00 0.00 O ATOM 0 H ILE A 26 24.179 -16.569 79.134 1.00 0.00 H new ATOM 128 N VAL A 27 23.249 -15.238 76.332 1.00 0.00 N ATOM 129 CA VAL A 27 23.227 -14.394 75.141 1.00 0.00 C ATOM 130 C VAL A 27 24.015 -15.042 74.015 1.00 0.00 C ATOM 131 O VAL A 27 23.639 -14.962 72.846 1.00 0.00 O ATOM 0 H VAL A 27 23.717 -14.815 77.134 1.00 0.00 H new ATOM 133 N GLY A 28 25.118 -15.688 74.383 1.00 0.00 N ATOM 134 CA GLY A 28 25.985 -16.363 73.421 1.00 0.00 C ATOM 135 C GLY A 28 25.192 -17.376 72.611 1.00 0.00 C ATOM 136 O GLY A 28 25.327 -17.460 71.391 1.00 0.00 O ATOM 0 H GLY A 28 25.435 -15.758 75.350 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.439 -15.630 72.754 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.799 -16.864 73.945 1.00 0.00 H new ATOM 138 N ALA A 29 24.362 -18.147 73.308 1.00 0.00 N ATOM 139 CA ALA A 29 23.531 -19.168 72.677 1.00 0.00 C ATOM 140 C ALA A 29 22.476 -18.524 71.792 1.00 0.00 C ATOM 141 O ALA A 29 22.176 -19.010 70.703 1.00 0.00 O ATOM 0 H ALA A 29 24.247 -18.083 74.319 1.00 0.00 H new ATOM 143 N LEU A 30 21.915 -17.420 72.278 1.00 0.00 N ATOM 144 CA LEU A 30 20.885 -16.683 71.550 1.00 0.00 C ATOM 145 C LEU A 30 21.422 -16.197 70.214 1.00 0.00 C ATOM 146 O LEU A 30 20.729 -16.233 69.199 1.00 0.00 O ATOM 0 H LEU A 30 22.159 -17.013 73.181 1.00 0.00 H new ATOM 148 N VAL A 31 22.671 -15.741 70.229 1.00 0.00 N ATOM 149 CA VAL A 31 23.333 -15.238 69.028 1.00 0.00 C ATOM 150 C VAL A 31 23.495 -16.350 68.004 1.00 0.00 C ATOM 151 O VAL A 31 23.308 -16.144 66.806 1.00 0.00 O ATOM 0 H VAL A 31 23.250 -15.709 71.068 1.00 0.00 H new ATOM 153 N ILE A 32 23.846 -17.536 68.495 1.00 0.00 N ATOM 154 CA ILE A 32 24.042 -18.705 67.643 1.00 0.00 C ATOM 155 C ILE A 32 22.742 -19.085 66.953 1.00 0.00 C ATOM 156 O ILE A 32 22.721 -19.402 65.765 1.00 0.00 O ATOM 0 H ILE A 32 24.002 -17.713 69.487 1.00 0.00 H new ATOM 158 N LEU A 33 21.654 -19.050 67.718 1.00 0.00 N ATOM 159 CA LEU A 33 20.329 -19.387 67.206 1.00 0.00 C ATOM 160 C LEU A 33 19.910 -18.403 66.126 1.00 0.00 C ATOM 161 O LEU A 33 19.405 -18.791 65.073 1.00 0.00 O ATOM 0 H LEU A 33 21.665 -18.789 68.704 1.00 0.00 H new ATOM 163 N ALA A 34 20.125 -17.120 66.403 1.00 0.00 N ATOM 164 CA ALA A 34 19.778 -16.052 65.470 1.00 0.00 C ATOM 165 C ALA A 34 20.432 -16.292 64.119 1.00 0.00 C ATOM 166 O ALA A 34 19.906 -15.900 63.079 1.00 0.00 O ATOM 0 H ALA A 34 20.542 -16.793 67.274 1.00 0.00 H new ATOM 168 N VAL A 35 21.591 -16.944 64.149 1.00 0.00 N ATOM 169 CA VAL A 35 22.344 -17.252 62.937 1.00 0.00 C ATOM 170 C VAL A 35 21.502 -18.085 61.984 1.00 0.00 C ATOM 171 O VAL A 35 21.619 -17.969 60.765 1.00 0.00 O ATOM 0 H VAL A 35 22.032 -17.272 65.008 1.00 0.00 H new ATOM 173 N ALA A 36 20.650 -18.928 62.558 1.00 0.00 N ATOM 174 CA ALA A 36 19.770 -19.798 61.782 1.00 0.00 C ATOM 175 C ALA A 36 18.719 -18.978 61.053 1.00 0.00 C ATOM 176 O ALA A 36 18.385 -19.251 59.901 1.00 0.00 O ATOM 0 H ALA A 36 20.549 -19.028 63.568 1.00 0.00 H new ATOM 178 N GLY A 37 18.200 -17.965 61.742 1.00 0.00 N ATOM 179 CA GLY A 37 17.180 -17.083 61.184 1.00 0.00 C ATOM 180 C GLY A 37 17.646 -16.502 59.859 1.00 0.00 C ATOM 181 O GLY A 37 16.931 -16.544 58.859 1.00 0.00 O ATOM 0 H GLY A 37 18.473 -17.734 62.697 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.252 -17.636 61.039 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.964 -16.277 61.886 1.00 0.00 H new ATOM 183 N LEU A 38 18.859 -15.956 59.865 1.00 0.00 N ATOM 184 CA LEU A 38 19.451 -15.356 58.674 1.00 0.00 C ATOM 185 C LEU A 38 19.676 -16.410 57.602 1.00 0.00 C ATOM 186 O LEU A 38 19.356 -16.207 56.432 1.00 0.00 O ATOM 0 H LEU A 38 19.456 -15.917 60.691 1.00 0.00 H new ATOM 188 N ILE A 39 20.234 -17.543 58.019 1.00 0.00 N ATOM 189 CA ILE A 39 20.517 -18.653 57.114 1.00 0.00 C ATOM 190 C ILE A 39 19.254 -19.077 56.382 1.00 0.00 C ATOM 191 O ILE A 39 19.254 -19.258 55.165 1.00 0.00 O ATOM 0 H ILE A 39 20.501 -17.717 58.988 1.00 0.00 H new ATOM 193 N TYR A 40 18.174 -19.233 57.142 1.00 0.00 N ATOM 194 CA TYR A 40 16.883 -19.637 56.591 1.00 0.00 C ATOM 195 C TYR A 40 16.350 -18.572 55.648 1.00 0.00 C ATOM 196 O TYR A 40 15.857 -18.873 54.562 1.00 0.00 O ATOM 0 H TYR A 40 18.168 -19.084 58.151 1.00 0.00 H new ATOM 198 N SER A 41 16.456 -17.318 56.078 1.00 0.00 N ATOM 199 CA SER A 41 15.991 -16.180 55.290 1.00 0.00 C ATOM 200 C SER A 41 16.722 -16.120 53.959 1.00 0.00 C ATOM 201 O SER A 41 16.133 -15.821 52.922 1.00 0.00 O ATOM 0 H SER A 41 16.864 -17.062 56.977 1.00 0.00 H new ATOM 203 N MET A 42 18.020 -16.411 54.003 1.00 0.00 N ATOM 204 CA MET A 42 18.862 -16.398 52.810 1.00 0.00 C ATOM 205 C MET A 42 18.469 -17.524 51.868 1.00 0.00 C ATOM 206 O MET A 42 18.410 -17.346 50.653 1.00 0.00 O ATOM 0 H MET A 42 18.514 -16.661 54.860 1.00 0.00 H new ATOM 208 N LEU A 43 18.199 -18.690 52.448 1.00 0.00 N ATOM 209 CA LEU A 43 17.807 -19.870 51.682 1.00 0.00 C ATOM 210 C LEU A 43 16.372 -19.738 51.200 1.00 0.00 C ATOM 211 O LEU A 43 16.019 -20.204 50.118 1.00 0.00 O ATOM 0 H LEU A 43 18.245 -18.844 53.455 1.00 0.00 H new ATOM 213 N ARG A 44 15.546 -19.095 52.021 1.00 0.00 N ATOM 214 CA ARG A 44 14.137 -18.885 51.703 1.00 0.00 C ATOM 215 C ARG A 44 13.977 -17.729 50.729 1.00 0.00 C ATOM 216 O ARG A 44 12.980 -17.631 50.016 1.00 0.00 O ATOM 0 H ARG A 44 15.832 -18.707 52.920 1.00 0.00 H new ATOM 218 N LYS A 45 14.977 -16.852 50.708 1.00 0.00 N ATOM 219 CA LYS A 45 14.976 -15.687 49.828 1.00 0.00 C ATOM 220 C LYS A 45 15.924 -15.901 48.660 1.00 0.00 C ATOM 221 O LYS A 45 15.692 -15.416 47.554 1.00 0.00 O ATOM 0 H LYS A 45 15.806 -16.928 51.297 1.00 0.00 H new ATOM 223 N ALA A 46 17.001 -16.637 48.921 1.00 0.00 N ATOM 224 CA ALA A 46 18.008 -16.935 47.907 1.00 0.00 C ATOM 0 H ALA A 46 17.200 -17.042 49.836 1.00 0.00 H new