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 14.285 -1.164 91.379 1.00 0.00 C ATOM 2 C GLY A 1 14.529 0.332 91.266 1.00 0.00 C ATOM 3 N VAL A 2 13.781 1.098 92.056 1.00 0.00 N ATOM 4 CA VAL A 2 13.895 2.553 92.067 1.00 0.00 C ATOM 5 C VAL A 2 15.308 2.974 92.436 1.00 0.00 C ATOM 6 O VAL A 2 15.927 3.790 91.755 1.00 0.00 O ATOM 0 H VAL A 2 13.083 0.730 92.703 1.00 0.00 H new ATOM 8 N ILE A 3 15.811 2.403 93.527 1.00 0.00 N ATOM 9 CA ILE A 3 17.155 2.701 94.014 1.00 0.00 C ATOM 10 C ILE A 3 18.201 2.190 93.036 1.00 0.00 C ATOM 11 O ILE A 3 19.289 2.751 92.918 1.00 0.00 O ATOM 0 H ILE A 3 15.303 1.725 94.095 1.00 0.00 H new ATOM 13 N ASP A 4 17.855 1.114 92.335 1.00 0.00 N ATOM 14 CA ASP A 4 18.748 0.502 91.355 1.00 0.00 C ATOM 15 C ASP A 4 19.196 1.529 90.328 1.00 0.00 C ATOM 16 O ASP A 4 20.385 1.670 90.047 1.00 0.00 O ATOM 0 H ASP A 4 16.954 0.644 92.429 1.00 0.00 H new ATOM 18 N THR A 5 18.225 2.247 89.771 1.00 0.00 N ATOM 19 CA THR A 5 18.491 3.273 88.768 1.00 0.00 C ATOM 20 C THR A 5 19.982 3.373 88.490 1.00 0.00 C ATOM 21 O THR A 5 20.414 3.407 87.339 1.00 0.00 O ATOM 0 H THR A 5 17.237 2.135 90.000 1.00 0.00 H new ATOM 23 N SER A 6 20.765 3.419 89.564 1.00 0.00 N ATOM 24 CA SER A 6 22.218 3.515 89.467 1.00 0.00 C ATOM 25 C SER A 6 22.781 2.325 88.707 1.00 0.00 C ATOM 26 O SER A 6 23.259 2.458 87.581 1.00 0.00 O ATOM 0 H SER A 6 20.413 3.391 90.521 1.00 0.00 H new ATOM 28 N ALA A 7 22.716 1.157 89.339 1.00 0.00 N ATOM 29 CA ALA A 7 23.214 -0.080 88.743 1.00 0.00 C ATOM 30 C ALA A 7 22.369 -0.470 87.542 1.00 0.00 C ATOM 31 O ALA A 7 22.855 -1.088 86.596 1.00 0.00 O ATOM 0 H ALA A 7 22.320 1.040 90.272 1.00 0.00 H new ATOM 33 N VAL A 8 21.092 -0.099 87.592 1.00 0.00 N ATOM 34 CA VAL A 8 20.151 -0.397 86.517 1.00 0.00 C ATOM 35 C VAL A 8 20.629 0.207 85.207 1.00 0.00 C ATOM 36 O VAL A 8 20.568 -0.427 84.154 1.00 0.00 O ATOM 0 H VAL A 8 20.683 0.413 88.374 1.00 0.00 H new ATOM 38 N GLU A 9 21.109 1.445 85.286 1.00 0.00 N ATOM 39 CA GLU A 9 21.609 2.164 84.117 1.00 0.00 C ATOM 40 C GLU A 9 22.549 1.282 83.311 1.00 0.00 C ATOM 41 O GLU A 9 22.453 1.201 82.088 1.00 0.00 O ATOM 0 H GLU A 9 21.162 1.975 86.156 1.00 0.00 H new ATOM 43 N SER A 10 23.463 0.622 84.016 1.00 0.00 N ATOM 44 CA SER A 10 24.439 -0.266 83.391 1.00 0.00 C ATOM 45 C SER A 10 23.737 -1.355 82.598 1.00 0.00 C ATOM 46 O SER A 10 24.093 -1.641 81.456 1.00 0.00 O ATOM 0 H SER A 10 23.548 0.686 85.030 1.00 0.00 H new ATOM 48 N ALA A 11 22.730 -1.962 83.221 1.00 0.00 N ATOM 49 CA ALA A 11 21.955 -3.029 82.595 1.00 0.00 C ATOM 50 C ALA A 11 21.186 -2.496 81.397 1.00 0.00 C ATOM 51 O ALA A 11 21.004 -3.189 80.398 1.00 0.00 O ATOM 0 H ALA A 11 22.430 -1.730 84.168 1.00 0.00 H new ATOM 53 N ILE A 12 20.734 -1.250 81.512 1.00 0.00 N ATOM 54 CA ILE A 12 19.978 -0.593 80.450 1.00 0.00 C ATOM 55 C ILE A 12 20.826 -0.460 79.196 1.00 0.00 C ATOM 56 O ILE A 12 20.350 -0.666 78.081 1.00 0.00 O ATOM 0 H ILE A 12 20.880 -0.671 82.339 1.00 0.00 H new ATOM 58 N THR A 13 22.094 -0.111 79.395 1.00 0.00 N ATOM 59 CA THR A 13 23.038 0.058 78.294 1.00 0.00 C ATOM 60 C THR A 13 23.271 -1.265 77.584 1.00 0.00 C ATOM 61 O THR A 13 23.436 -1.314 76.366 1.00 0.00 O ATOM 0 H THR A 13 22.494 0.062 80.317 1.00 0.00 H new ATOM 63 N ASP A 14 23.283 -2.342 78.365 1.00 0.00 N ATOM 64 CA ASP A 14 23.495 -3.687 77.837 1.00 0.00 C ATOM 65 C ASP A 14 22.206 -4.236 77.248 1.00 0.00 C ATOM 66 O ASP A 14 22.110 -4.485 76.047 1.00 0.00 O ATOM 0 H ASP A 14 23.147 -2.308 79.375 1.00 0.00 H new ATOM 68 N GLY A 15 21.212 -4.422 78.113 1.00 0.00 N ATOM 69 CA GLY A 15 19.911 -4.943 77.705 1.00 0.00 C ATOM 70 C GLY A 15 19.270 -4.029 76.674 1.00 0.00 C ATOM 71 O GLY A 15 19.124 -4.390 75.507 1.00 0.00 O ATOM 0 H GLY A 15 21.285 -4.217 79.110 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.028 -5.944 77.289 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.260 -5.033 78.575 1.00 0.00 H new ATOM 73 N GLN A 16 18.889 -2.836 77.121 1.00 0.00 N ATOM 74 CA GLN A 16 18.258 -1.843 76.256 1.00 0.00 C ATOM 75 C GLN A 16 19.227 -1.384 75.178 1.00 0.00 C ATOM 76 O GLN A 16 18.859 -1.231 74.015 1.00 0.00 O ATOM 0 H GLN A 16 19.008 -2.531 78.087 1.00 0.00 H new ATOM 78 N GLY A 17 20.475 -1.164 75.584 1.00 0.00 N ATOM 79 CA GLY A 17 21.524 -0.719 74.671 1.00 0.00 C ATOM 80 C GLY A 17 21.813 -1.788 73.630 1.00 0.00 C ATOM 81 O GLY A 17 21.870 -1.510 72.433 1.00 0.00 O ATOM 0 H GLY A 17 20.786 -1.288 76.548 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.218 0.204 74.178 1.00 0.00 H new ATOM 0 HA3 GLY A 17 22.431 -0.495 75.232 1.00 0.00 H new ATOM 83 N ASP A 18 21.994 -3.017 74.103 1.00 0.00 N ATOM 84 CA ASP A 18 22.279 -4.154 73.232 1.00 0.00 C ATOM 85 C ASP A 18 21.071 -4.480 72.370 1.00 0.00 C ATOM 86 O ASP A 18 21.186 -5.135 71.335 1.00 0.00 O ATOM 0 H ASP A 18 21.948 -3.253 75.094 1.00 0.00 H new ATOM 88 N MET A 19 19.907 -4.014 72.812 1.00 0.00 N ATOM 89 CA MET A 19 18.654 -4.241 72.098 1.00 0.00 C ATOM 90 C MET A 19 18.679 -3.549 70.745 1.00 0.00 C ATOM 91 O MET A 19 18.306 -4.130 69.726 1.00 0.00 O ATOM 0 H MET A 19 19.805 -3.472 73.670 1.00 0.00 H new ATOM 93 N LYS A 20 19.124 -2.296 70.748 1.00 0.00 N ATOM 94 CA LYS A 20 19.210 -1.496 69.530 1.00 0.00 C ATOM 95 C LYS A 20 20.148 -2.149 68.528 1.00 0.00 C ATOM 96 O LYS A 20 19.889 -2.157 67.326 1.00 0.00 O ATOM 0 H LYS A 20 19.433 -1.809 71.589 1.00 0.00 H new ATOM 98 N ALA A 21 21.245 -2.698 69.042 1.00 0.00 N ATOM 99 CA ALA A 21 22.245 -3.365 68.213 1.00 0.00 C ATOM 100 C ALA A 21 21.644 -4.581 67.528 1.00 0.00 C ATOM 101 O ALA A 21 21.930 -4.862 66.365 1.00 0.00 O ATOM 0 H ALA A 21 21.465 -2.694 70.038 1.00 0.00 H new ATOM 103 N ILE A 22 20.805 -5.301 68.267 1.00 0.00 N ATOM 104 CA ILE A 22 20.144 -6.498 67.754 1.00 0.00 C ATOM 105 C ILE A 22 19.175 -6.136 66.641 1.00 0.00 C ATOM 106 O ILE A 22 19.083 -6.826 65.628 1.00 0.00 O ATOM 0 H ILE A 22 20.565 -5.074 69.232 1.00 0.00 H new ATOM 108 N GLY A 23 18.450 -5.039 66.845 1.00 0.00 N ATOM 109 CA GLY A 23 17.474 -4.558 65.871 1.00 0.00 C ATOM 110 C GLY A 23 18.164 -4.168 64.574 1.00 0.00 C ATOM 111 O GLY A 23 17.657 -4.422 63.483 1.00 0.00 O ATOM 0 H GLY A 23 18.521 -4.462 67.683 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.733 -5.333 65.677 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.939 -3.700 66.277 1.00 0.00 H new ATOM 113 N GLY A 24 19.330 -3.544 64.709 1.00 0.00 N ATOM 114 CA GLY A 24 20.117 -3.104 63.560 1.00 0.00 C ATOM 115 C GLY A 24 20.727 -4.298 62.844 1.00 0.00 C ATOM 116 O GLY A 24 20.617 -4.434 61.626 1.00 0.00 O ATOM 0 H GLY A 24 19.755 -3.330 65.611 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.484 -2.544 62.871 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.906 -2.428 63.890 1.00 0.00 H new ATOM 118 N TYR A 25 21.373 -5.164 63.619 1.00 0.00 N ATOM 119 CA TYR A 25 22.014 -6.362 63.084 1.00 0.00 C ATOM 120 C TYR A 25 20.998 -7.233 62.364 1.00 0.00 C ATOM 121 O TYR A 25 21.259 -7.751 61.279 1.00 0.00 O ATOM 0 H TYR A 25 21.467 -5.057 64.629 1.00 0.00 H new ATOM 123 N ILE A 26 19.831 -7.388 62.984 1.00 0.00 N ATOM 124 CA ILE A 26 18.751 -8.194 62.424 1.00 0.00 C ATOM 125 C ILE A 26 18.278 -7.607 61.104 1.00 0.00 C ATOM 126 O ILE A 26 18.049 -8.326 60.133 1.00 0.00 O ATOM 0 H ILE A 26 19.609 -6.961 63.883 1.00 0.00 H new ATOM 128 N VAL A 27 18.134 -6.285 61.082 1.00 0.00 N ATOM 129 CA VAL A 27 17.688 -5.568 59.891 1.00 0.00 C ATOM 130 C VAL A 27 18.696 -5.728 58.765 1.00 0.00 C ATOM 131 O VAL A 27 18.331 -5.850 57.596 1.00 0.00 O ATOM 0 H VAL A 27 18.322 -5.683 61.884 1.00 0.00 H new ATOM 133 N GLY A 28 19.974 -5.726 59.133 1.00 0.00 N ATOM 134 CA GLY A 28 21.063 -5.870 58.171 1.00 0.00 C ATOM 135 C GLY A 28 20.893 -7.144 57.361 1.00 0.00 C ATOM 136 O GLY A 28 21.051 -7.149 56.141 1.00 0.00 O ATOM 0 H GLY A 28 20.283 -5.625 60.100 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.083 -5.008 57.504 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.019 -5.890 58.695 1.00 0.00 H new ATOM 138 N ALA A 29 20.567 -8.229 58.058 1.00 0.00 N ATOM 139 CA ALA A 29 20.367 -9.531 57.427 1.00 0.00 C ATOM 140 C ALA A 29 19.131 -9.510 56.542 1.00 0.00 C ATOM 141 O ALA A 29 19.119 -10.080 55.453 1.00 0.00 O ATOM 0 H ALA A 29 20.435 -8.232 59.069 1.00 0.00 H new ATOM 143 N LEU A 30 18.089 -8.842 57.028 1.00 0.00 N ATOM 144 CA LEU A 30 16.828 -8.728 56.300 1.00 0.00 C ATOM 145 C LEU A 30 17.045 -8.037 54.964 1.00 0.00 C ATOM 146 O LEU A 30 16.465 -8.418 53.949 1.00 0.00 O ATOM 0 H LEU A 30 18.093 -8.367 57.931 1.00 0.00 H new ATOM 148 N VAL A 31 17.891 -7.011 54.979 1.00 0.00 N ATOM 149 CA VAL A 31 18.206 -6.243 53.778 1.00 0.00 C ATOM 150 C VAL A 31 18.909 -7.119 52.754 1.00 0.00 C ATOM 151 O VAL A 31 18.644 -7.037 51.556 1.00 0.00 O ATOM 0 H VAL A 31 18.375 -6.690 55.818 1.00 0.00 H new ATOM 153 N ILE A 32 19.813 -7.963 53.245 1.00 0.00 N ATOM 154 CA ILE A 32 20.574 -8.873 52.393 1.00 0.00 C ATOM 155 C ILE A 32 19.645 -9.859 51.703 1.00 0.00 C ATOM 156 O ILE A 32 19.787 -10.143 50.515 1.00 0.00 O ATOM 0 H ILE A 32 20.038 -8.036 54.237 1.00 0.00 H new ATOM 158 N LEU A 33 18.690 -10.379 52.468 1.00 0.00 N ATOM 159 CA LEU A 33 17.718 -11.341 51.956 1.00 0.00 C ATOM 160 C LEU A 33 16.858 -10.705 50.876 1.00 0.00 C ATOM 161 O LEU A 33 16.619 -11.295 49.823 1.00 0.00 O ATOM 0 H LEU A 33 18.568 -10.148 53.454 1.00 0.00 H new ATOM 163 N ALA A 34 16.394 -9.490 51.153 1.00 0.00 N ATOM 164 CA ALA A 34 15.554 -8.744 50.220 1.00 0.00 C ATOM 165 C ALA A 34 16.239 -8.620 48.869 1.00 0.00 C ATOM 166 O ALA A 34 15.586 -8.548 47.829 1.00 0.00 O ATOM 0 H ALA A 34 16.588 -8.997 52.025 1.00 0.00 H new ATOM 168 N VAL A 35 17.568 -8.595 48.899 1.00 0.00 N ATOM 169 CA VAL A 35 18.374 -8.479 47.687 1.00 0.00 C ATOM 170 C VAL A 35 18.070 -9.624 46.734 1.00 0.00 C ATOM 171 O VAL A 35 18.112 -9.465 45.515 1.00 0.00 O ATOM 0 H VAL A 35 18.114 -8.654 49.758 1.00 0.00 H new ATOM 173 N ALA A 36 17.762 -10.783 47.308 1.00 0.00 N ATOM 174 CA ALA A 36 17.444 -11.978 46.532 1.00 0.00 C ATOM 175 C ALA A 36 16.122 -11.804 45.803 1.00 0.00 C ATOM 176 O ALA A 36 15.972 -12.208 44.651 1.00 0.00 O ATOM 0 H ALA A 36 17.726 -10.921 48.318 1.00 0.00 H new ATOM 178 N GLY A 37 15.162 -11.193 46.492 1.00 0.00 N ATOM 179 CA GLY A 37 13.835 -10.949 45.934 1.00 0.00 C ATOM 180 C GLY A 37 13.943 -10.212 44.609 1.00 0.00 C ATOM 181 O GLY A 37 13.348 -10.610 43.609 1.00 0.00 O ATOM 0 H GLY A 37 15.281 -10.855 47.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.315 -11.896 45.789 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.241 -10.363 46.636 1.00 0.00 H new ATOM 183 N LEU A 38 14.712 -9.127 44.615 1.00 0.00 N ATOM 184 CA LEU A 38 14.919 -8.310 43.424 1.00 0.00 C ATOM 185 C LEU A 38 15.647 -9.104 42.352 1.00 0.00 C ATOM 186 O LEU A 38 15.268 -9.091 41.182 1.00 0.00 O ATOM 0 H LEU A 38 15.207 -8.791 45.441 1.00 0.00 H new ATOM 188 N ILE A 39 16.702 -9.799 42.769 1.00 0.00 N ATOM 189 CA ILE A 39 17.507 -10.613 41.864 1.00 0.00 C ATOM 190 C ILE A 39 16.633 -11.618 41.132 1.00 0.00 C ATOM 191 O ILE A 39 16.725 -11.775 39.915 1.00 0.00 O ATOM 0 H ILE A 39 17.021 -9.814 43.738 1.00 0.00 H new ATOM 193 N TYR A 40 15.781 -12.300 41.892 1.00 0.00 N ATOM 194 CA TYR A 40 14.873 -13.302 41.341 1.00 0.00 C ATOM 195 C TYR A 40 13.874 -12.653 40.398 1.00 0.00 C ATOM 196 O TYR A 40 13.601 -13.162 39.312 1.00 0.00 O ATOM 0 H TYR A 40 15.700 -12.175 42.901 1.00 0.00 H new ATOM 198 N SER A 41 13.330 -11.518 40.828 1.00 0.00 N ATOM 199 CA SER A 41 12.353 -10.773 40.040 1.00 0.00 C ATOM 200 C SER A 41 12.953 -10.351 38.709 1.00 0.00 C ATOM 201 O SER A 41 12.293 -10.391 37.672 1.00 0.00 O ATOM 0 H SER A 41 13.552 -11.091 41.727 1.00 0.00 H new ATOM 203 N MET A 42 14.219 -9.944 38.753 1.00 0.00 N ATOM 204 CA MET A 42 14.939 -9.506 37.560 1.00 0.00 C ATOM 205 C MET A 42 15.170 -10.677 36.618 1.00 0.00 C ATOM 206 O MET A 42 15.029 -10.552 35.403 1.00 0.00 O ATOM 0 H MET A 42 14.771 -9.908 39.610 1.00 0.00 H new ATOM 208 N LEU A 43 15.528 -11.819 37.198 1.00 0.00 N ATOM 209 CA LEU A 43 15.787 -13.035 36.432 1.00 0.00 C ATOM 210 C LEU A 43 14.483 -13.648 35.950 1.00 0.00 C ATOM 211 O LEU A 43 14.414 -14.228 34.868 1.00 0.00 O ATOM 0 H LEU A 43 15.646 -11.928 38.205 1.00 0.00 H new ATOM 213 N ARG A 44 13.445 -13.511 36.771 1.00 0.00 N ATOM 214 CA ARG A 44 12.124 -14.044 36.453 1.00 0.00 C ATOM 215 C ARG A 44 11.401 -13.128 35.479 1.00 0.00 C ATOM 216 O ARG A 44 10.491 -13.548 34.766 1.00 0.00 O ATOM 0 H ARG A 44 13.495 -13.031 37.669 1.00 0.00 H new ATOM 218 N LYS A 45 11.819 -11.866 35.458 1.00 0.00 N ATOM 219 CA LYS A 45 11.228 -10.862 34.578 1.00 0.00 C ATOM 220 C LYS A 45 12.154 -10.566 33.410 1.00 0.00 C ATOM 221 O LYS A 45 11.708 -10.265 32.304 1.00 0.00 O ATOM 0 H LYS A 45 12.573 -11.511 36.047 1.00 0.00 H new ATOM 223 N ALA A 46 13.455 -10.655 33.671 1.00 0.00 N ATOM 224 CA ALA A 46 14.474 -10.402 32.657 1.00 0.00 C ATOM 0 H ALA A 46 13.831 -10.903 34.586 1.00 0.00 H new TER 226 ALA A 46