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 25.681 -21.592 88.329 1.00 0.00 C ATOM 2 C GLY A 1 27.146 -21.204 88.216 1.00 0.00 C ATOM 3 N VAL A 2 27.540 -20.209 89.006 1.00 0.00 N ATOM 4 CA VAL A 2 28.915 -19.719 89.017 1.00 0.00 C ATOM 5 C VAL A 2 29.876 -20.837 89.386 1.00 0.00 C ATOM 6 O VAL A 2 30.874 -21.069 88.705 1.00 0.00 O ATOM 0 H VAL A 2 26.919 -19.722 89.653 1.00 0.00 H new ATOM 8 N ILE A 3 29.560 -21.530 90.477 1.00 0.00 N ATOM 9 CA ILE A 3 30.380 -22.635 90.964 1.00 0.00 C ATOM 10 C ILE A 3 30.341 -23.798 89.986 1.00 0.00 C ATOM 11 O ILE A 3 31.297 -24.563 89.868 1.00 0.00 O ATOM 0 H ILE A 3 28.734 -21.343 91.045 1.00 0.00 H new ATOM 13 N ASP A 4 29.217 -23.921 89.285 1.00 0.00 N ATOM 14 CA ASP A 4 29.022 -24.986 88.305 1.00 0.00 C ATOM 15 C ASP A 4 30.143 -24.977 87.278 1.00 0.00 C ATOM 16 O ASP A 4 30.757 -26.005 86.997 1.00 0.00 O ATOM 0 H ASP A 4 28.421 -23.290 89.379 1.00 0.00 H new ATOM 18 N THR A 5 30.402 -23.797 86.721 1.00 0.00 N ATOM 19 CA THR A 5 31.448 -23.621 85.718 1.00 0.00 C ATOM 20 C THR A 5 32.147 -24.942 85.440 1.00 0.00 C ATOM 21 O THR A 5 32.354 -25.322 84.289 1.00 0.00 O ATOM 0 H THR A 5 29.896 -22.941 86.950 1.00 0.00 H new ATOM 23 N SER A 6 32.509 -25.637 86.514 1.00 0.00 N ATOM 24 CA SER A 6 33.190 -26.925 86.417 1.00 0.00 C ATOM 25 C SER A 6 32.333 -27.924 85.657 1.00 0.00 C ATOM 26 O SER A 6 32.650 -28.307 84.531 1.00 0.00 O ATOM 0 H SER A 6 32.340 -25.326 87.471 1.00 0.00 H new ATOM 28 N ALA A 7 31.240 -28.342 86.289 1.00 0.00 N ATOM 29 CA ALA A 7 30.314 -29.301 85.693 1.00 0.00 C ATOM 30 C ALA A 7 29.613 -28.689 84.492 1.00 0.00 C ATOM 31 O ALA A 7 29.247 -29.385 83.546 1.00 0.00 O ATOM 0 H ALA A 7 30.972 -28.028 87.222 1.00 0.00 H new ATOM 33 N VAL A 8 29.431 -27.372 84.542 1.00 0.00 N ATOM 34 CA VAL A 8 28.774 -26.634 83.467 1.00 0.00 C ATOM 35 C VAL A 8 29.521 -26.825 82.157 1.00 0.00 C ATOM 36 O VAL A 8 28.917 -27.027 81.104 1.00 0.00 O ATOM 0 H VAL A 8 29.732 -26.790 85.323 1.00 0.00 H new ATOM 38 N GLU A 9 30.847 -26.758 82.236 1.00 0.00 N ATOM 39 CA GLU A 9 31.707 -26.920 81.067 1.00 0.00 C ATOM 40 C GLU A 9 31.286 -28.138 80.261 1.00 0.00 C ATOM 41 O GLU A 9 31.173 -28.083 79.038 1.00 0.00 O ATOM 0 H GLU A 9 31.353 -26.591 83.106 1.00 0.00 H new ATOM 43 N SER A 10 31.056 -29.242 80.966 1.00 0.00 N ATOM 44 CA SER A 10 30.644 -30.496 80.341 1.00 0.00 C ATOM 45 C SER A 10 29.363 -30.299 79.548 1.00 0.00 C ATOM 46 O SER A 10 29.248 -30.741 78.406 1.00 0.00 O ATOM 0 H SER A 10 31.149 -29.293 81.980 1.00 0.00 H new ATOM 48 N ALA A 11 28.399 -29.628 80.171 1.00 0.00 N ATOM 49 CA ALA A 11 27.108 -29.355 79.545 1.00 0.00 C ATOM 50 C ALA A 11 27.281 -28.435 78.347 1.00 0.00 C ATOM 51 O ALA A 11 26.573 -28.553 77.348 1.00 0.00 O ATOM 0 H ALA A 11 28.489 -29.260 81.118 1.00 0.00 H new ATOM 53 N ILE A 12 28.234 -27.515 78.462 1.00 0.00 N ATOM 54 CA ILE A 12 28.525 -26.556 77.400 1.00 0.00 C ATOM 55 C ILE A 12 28.993 -27.276 76.146 1.00 0.00 C ATOM 56 O ILE A 12 28.610 -26.926 75.031 1.00 0.00 O ATOM 0 H ILE A 12 28.823 -27.413 79.288 1.00 0.00 H new ATOM 58 N THR A 13 29.829 -28.292 76.345 1.00 0.00 N ATOM 59 CA THR A 13 30.368 -29.084 75.244 1.00 0.00 C ATOM 60 C THR A 13 29.255 -29.837 74.534 1.00 0.00 C ATOM 61 O THR A 13 29.278 -30.007 73.316 1.00 0.00 O ATOM 0 H THR A 13 30.150 -28.587 77.267 1.00 0.00 H new ATOM 63 N ASP A 14 28.277 -30.287 75.315 1.00 0.00 N ATOM 64 CA ASP A 14 27.136 -31.029 74.787 1.00 0.00 C ATOM 65 C ASP A 14 26.108 -30.077 74.198 1.00 0.00 C ATOM 66 O ASP A 14 25.842 -30.091 72.997 1.00 0.00 O ATOM 0 H ASP A 14 28.252 -30.149 76.325 1.00 0.00 H new ATOM 68 N GLY A 15 25.533 -29.246 75.063 1.00 0.00 N ATOM 69 CA GLY A 15 24.526 -28.270 74.655 1.00 0.00 C ATOM 70 C GLY A 15 25.100 -27.312 73.624 1.00 0.00 C ATOM 71 O GLY A 15 24.710 -27.327 72.457 1.00 0.00 O ATOM 0 H GLY A 15 25.750 -29.229 76.060 1.00 0.00 H new ATOM 0 HA2 GLY A 15 23.660 -28.785 74.239 1.00 0.00 H new ATOM 0 HA3 GLY A 15 24.178 -27.712 75.525 1.00 0.00 H new ATOM 73 N GLN A 16 26.033 -26.477 74.071 1.00 0.00 N ATOM 74 CA GLN A 16 26.682 -25.497 73.206 1.00 0.00 C ATOM 75 C GLN A 16 27.497 -26.194 72.128 1.00 0.00 C ATOM 76 O GLN A 16 27.486 -25.796 70.965 1.00 0.00 O ATOM 0 H GLN A 16 26.359 -26.460 75.037 1.00 0.00 H new ATOM 78 N GLY A 17 28.207 -27.243 72.534 1.00 0.00 N ATOM 79 CA GLY A 17 29.041 -28.020 71.621 1.00 0.00 C ATOM 80 C GLY A 17 28.183 -28.719 70.580 1.00 0.00 C ATOM 81 O GLY A 17 28.460 -28.658 69.383 1.00 0.00 O ATOM 0 H GLY A 17 28.221 -27.577 73.498 1.00 0.00 H new ATOM 0 HA2 GLY A 17 29.759 -27.365 71.128 1.00 0.00 H new ATOM 0 HA3 GLY A 17 29.615 -28.757 72.182 1.00 0.00 H new ATOM 83 N ASP A 18 27.135 -29.386 71.053 1.00 0.00 N ATOM 84 CA ASP A 18 26.213 -30.111 70.182 1.00 0.00 C ATOM 85 C ASP A 18 25.422 -29.141 69.320 1.00 0.00 C ATOM 86 O ASP A 18 24.872 -29.513 68.285 1.00 0.00 O ATOM 0 H ASP A 18 26.901 -29.440 72.044 1.00 0.00 H new ATOM 88 N MET A 19 25.373 -27.887 69.762 1.00 0.00 N ATOM 89 CA MET A 19 24.654 -26.836 69.048 1.00 0.00 C ATOM 90 C MET A 19 25.296 -26.576 67.695 1.00 0.00 C ATOM 91 O MET A 19 24.614 -26.473 66.676 1.00 0.00 O ATOM 0 H MET A 19 25.827 -27.572 70.619 1.00 0.00 H new ATOM 93 N LYS A 20 26.622 -26.472 67.698 1.00 0.00 N ATOM 94 CA LYS A 20 27.388 -26.223 66.480 1.00 0.00 C ATOM 95 C LYS A 20 27.174 -27.347 65.478 1.00 0.00 C ATOM 96 O LYS A 20 27.061 -27.114 64.276 1.00 0.00 O ATOM 0 H LYS A 20 27.193 -26.557 68.539 1.00 0.00 H new ATOM 98 N ALA A 21 27.120 -28.572 65.992 1.00 0.00 N ATOM 99 CA ALA A 21 26.920 -29.757 65.163 1.00 0.00 C ATOM 100 C ALA A 21 25.564 -29.705 64.478 1.00 0.00 C ATOM 101 O ALA A 21 25.425 -30.081 63.315 1.00 0.00 O ATOM 0 H ALA A 21 27.213 -28.771 66.988 1.00 0.00 H new ATOM 103 N ILE A 22 24.565 -29.232 65.217 1.00 0.00 N ATOM 104 CA ILE A 22 23.202 -29.118 64.704 1.00 0.00 C ATOM 105 C ILE A 22 23.137 -28.085 63.591 1.00 0.00 C ATOM 106 O ILE A 22 22.469 -28.283 62.578 1.00 0.00 O ATOM 0 H ILE A 22 24.675 -28.919 66.181 1.00 0.00 H new ATOM 108 N GLY A 23 23.842 -26.976 63.795 1.00 0.00 N ATOM 109 CA GLY A 23 23.884 -25.888 62.821 1.00 0.00 C ATOM 110 C GLY A 23 24.521 -26.359 61.524 1.00 0.00 C ATOM 111 O GLY A 23 24.082 -26.000 60.433 1.00 0.00 O ATOM 0 H GLY A 23 24.397 -26.806 64.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 22.874 -25.527 62.627 1.00 0.00 H new ATOM 0 HA3 GLY A 23 24.450 -25.050 63.228 1.00 0.00 H new ATOM 113 N GLY A 24 25.567 -27.169 61.659 1.00 0.00 N ATOM 114 CA GLY A 24 26.290 -27.708 60.510 1.00 0.00 C ATOM 115 C GLY A 24 25.448 -28.752 59.794 1.00 0.00 C ATOM 116 O GLY A 24 25.280 -28.707 58.576 1.00 0.00 O ATOM 0 H GLY A 24 25.936 -27.469 62.561 1.00 0.00 H new ATOM 0 HA2 GLY A 24 26.544 -26.902 59.821 1.00 0.00 H new ATOM 0 HA3 GLY A 24 27.229 -28.153 60.840 1.00 0.00 H new ATOM 118 N TYR A 25 24.921 -29.696 60.569 1.00 0.00 N ATOM 119 CA TYR A 25 24.089 -30.769 60.034 1.00 0.00 C ATOM 120 C TYR A 25 22.879 -30.197 59.314 1.00 0.00 C ATOM 121 O TYR A 25 22.513 -30.646 58.229 1.00 0.00 O ATOM 0 H TYR A 25 25.057 -29.739 61.579 1.00 0.00 H new ATOM 123 N ILE A 26 22.262 -29.195 59.934 1.00 0.00 N ATOM 124 CA ILE A 26 21.085 -28.538 59.374 1.00 0.00 C ATOM 125 C ILE A 26 21.428 -27.866 58.054 1.00 0.00 C ATOM 126 O ILE A 26 20.678 -27.951 57.083 1.00 0.00 O ATOM 0 H ILE A 26 22.561 -28.818 60.833 1.00 0.00 H new ATOM 128 N VAL A 27 22.576 -27.195 58.032 1.00 0.00 N ATOM 129 CA VAL A 27 23.049 -26.496 56.841 1.00 0.00 C ATOM 130 C VAL A 27 23.314 -27.481 55.715 1.00 0.00 C ATOM 131 O VAL A 27 23.054 -27.198 54.546 1.00 0.00 O ATOM 0 H VAL A 27 23.202 -27.120 58.834 1.00 0.00 H new ATOM 133 N GLY A 28 23.837 -28.647 56.083 1.00 0.00 N ATOM 134 CA GLY A 28 24.150 -29.700 55.121 1.00 0.00 C ATOM 135 C GLY A 28 22.917 -30.065 54.311 1.00 0.00 C ATOM 136 O GLY A 28 22.978 -30.211 53.091 1.00 0.00 O ATOM 0 H GLY A 28 24.055 -28.888 57.050 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.945 -29.367 54.454 1.00 0.00 H new ATOM 0 HA3 GLY A 28 24.522 -30.581 55.645 1.00 0.00 H new ATOM 138 N ALA A 29 21.794 -30.210 55.008 1.00 0.00 N ATOM 139 CA ALA A 29 20.524 -30.559 54.377 1.00 0.00 C ATOM 140 C ALA A 29 20.039 -29.422 53.492 1.00 0.00 C ATOM 141 O ALA A 29 19.513 -29.644 52.403 1.00 0.00 O ATOM 0 H ALA A 29 21.738 -30.090 56.019 1.00 0.00 H new ATOM 143 N LEU A 30 20.223 -28.198 53.978 1.00 0.00 N ATOM 144 CA LEU A 30 19.813 -27.000 53.250 1.00 0.00 C ATOM 145 C LEU A 30 20.532 -26.916 51.914 1.00 0.00 C ATOM 146 O LEU A 30 19.947 -26.543 50.899 1.00 0.00 O ATOM 0 H LEU A 30 20.657 -28.008 54.881 1.00 0.00 H new ATOM 148 N VAL A 31 21.814 -27.270 51.929 1.00 0.00 N ATOM 149 CA VAL A 31 22.644 -27.244 50.728 1.00 0.00 C ATOM 150 C VAL A 31 22.131 -28.244 49.704 1.00 0.00 C ATOM 151 O VAL A 31 22.098 -27.968 48.506 1.00 0.00 O ATOM 0 H VAL A 31 22.304 -27.581 52.768 1.00 0.00 H new ATOM 153 N ILE A 32 21.729 -29.413 50.195 1.00 0.00 N ATOM 154 CA ILE A 32 21.209 -30.479 49.343 1.00 0.00 C ATOM 155 C ILE A 32 19.930 -30.034 48.653 1.00 0.00 C ATOM 156 O ILE A 32 19.729 -30.279 47.465 1.00 0.00 O ATOM 0 H ILE A 32 21.754 -29.647 51.187 1.00 0.00 H new ATOM 158 N LEU A 33 19.065 -29.374 49.418 1.00 0.00 N ATOM 159 CA LEU A 33 17.790 -28.879 48.906 1.00 0.00 C ATOM 160 C LEU A 33 18.020 -27.834 47.826 1.00 0.00 C ATOM 161 O LEU A 33 17.384 -27.857 46.773 1.00 0.00 O ATOM 0 H LEU A 33 19.226 -29.168 50.404 1.00 0.00 H new ATOM 163 N ALA A 34 18.940 -26.915 48.103 1.00 0.00 N ATOM 164 CA ALA A 34 19.278 -25.844 47.170 1.00 0.00 C ATOM 165 C ALA A 34 19.671 -26.418 45.819 1.00 0.00 C ATOM 166 O ALA A 34 19.470 -25.794 44.779 1.00 0.00 O ATOM 0 H ALA A 34 19.469 -26.891 48.974 1.00 0.00 H new ATOM 168 N VAL A 35 20.236 -27.622 45.849 1.00 0.00 N ATOM 169 CA VAL A 35 20.671 -28.310 44.637 1.00 0.00 C ATOM 170 C VAL A 35 19.502 -28.500 43.684 1.00 0.00 C ATOM 171 O VAL A 35 19.664 -28.474 42.465 1.00 0.00 O ATOM 0 H VAL A 35 20.404 -28.145 46.708 1.00 0.00 H new ATOM 173 N ALA A 36 18.317 -28.691 44.258 1.00 0.00 N ATOM 174 CA ALA A 36 17.097 -28.889 43.482 1.00 0.00 C ATOM 175 C ALA A 36 16.717 -27.611 42.753 1.00 0.00 C ATOM 176 O ALA A 36 16.286 -27.639 41.601 1.00 0.00 O ATOM 0 H ALA A 36 18.176 -28.713 45.268 1.00 0.00 H new ATOM 178 N GLY A 37 16.882 -26.485 43.442 1.00 0.00 N ATOM 179 CA GLY A 37 16.564 -25.174 42.884 1.00 0.00 C ATOM 180 C GLY A 37 17.281 -24.972 41.559 1.00 0.00 C ATOM 181 O GLY A 37 16.674 -24.591 40.559 1.00 0.00 O ATOM 0 H GLY A 37 17.238 -26.455 44.397 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.487 -25.085 42.739 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.857 -24.393 43.586 1.00 0.00 H new ATOM 183 N LEU A 38 18.585 -25.232 41.565 1.00 0.00 N ATOM 184 CA LEU A 38 19.416 -25.087 40.374 1.00 0.00 C ATOM 185 C LEU A 38 18.987 -26.076 39.302 1.00 0.00 C ATOM 186 O LEU A 38 18.844 -25.724 38.132 1.00 0.00 O ATOM 0 H LEU A 38 19.093 -25.548 42.391 1.00 0.00 H new ATOM 188 N ILE A 39 18.784 -27.322 39.719 1.00 0.00 N ATOM 189 CA ILE A 39 18.369 -28.390 38.814 1.00 0.00 C ATOM 190 C ILE A 39 17.094 -28.002 38.082 1.00 0.00 C ATOM 191 O ILE A 39 16.989 -28.150 36.865 1.00 0.00 O ATOM 0 H ILE A 39 18.901 -27.619 40.688 1.00 0.00 H new ATOM 193 N TYR A 40 16.125 -27.502 38.842 1.00 0.00 N ATOM 194 CA TYR A 40 14.839 -27.082 38.291 1.00 0.00 C ATOM 195 C TYR A 40 15.024 -25.905 37.348 1.00 0.00 C ATOM 196 O TYR A 40 14.447 -25.863 36.262 1.00 0.00 O ATOM 0 H TYR A 40 16.207 -27.377 39.851 1.00 0.00 H new ATOM 198 N SER A 41 15.838 -24.946 37.778 1.00 0.00 N ATOM 199 CA SER A 41 16.120 -23.749 36.990 1.00 0.00 C ATOM 200 C SER A 41 16.750 -24.125 35.659 1.00 0.00 C ATOM 201 O SER A 41 16.444 -23.539 34.622 1.00 0.00 O ATOM 0 H SER A 41 16.319 -24.975 38.677 1.00 0.00 H new ATOM 203 N MET A 42 17.638 -25.115 35.703 1.00 0.00 N ATOM 204 CA MET A 42 18.331 -25.594 34.510 1.00 0.00 C ATOM 205 C MET A 42 17.357 -26.282 33.568 1.00 0.00 C ATOM 206 O MET A 42 17.413 -26.103 32.353 1.00 0.00 O ATOM 0 H MET A 42 17.896 -25.605 36.560 1.00 0.00 H new ATOM 208 N LEU A 43 16.461 -27.075 34.148 1.00 0.00 N ATOM 209 CA LEU A 43 15.456 -27.808 33.382 1.00 0.00 C ATOM 210 C LEU A 43 14.364 -26.867 32.900 1.00 0.00 C ATOM 211 O LEU A 43 13.807 -27.041 31.818 1.00 0.00 O ATOM 0 H LEU A 43 16.410 -27.228 35.155 1.00 0.00 H new ATOM 213 N ARG A 44 14.066 -25.864 33.721 1.00 0.00 N ATOM 214 CA ARG A 44 13.040 -24.875 33.403 1.00 0.00 C ATOM 215 C ARG A 44 13.581 -23.841 32.429 1.00 0.00 C ATOM 216 O ARG A 44 12.826 -23.182 31.716 1.00 0.00 O ATOM 0 H ARG A 44 14.525 -25.714 34.619 1.00 0.00 H new ATOM 218 N LYS A 45 14.904 -23.708 32.408 1.00 0.00 N ATOM 219 CA LYS A 45 15.579 -22.759 31.528 1.00 0.00 C ATOM 220 C LYS A 45 16.228 -23.484 30.360 1.00 0.00 C ATOM 221 O LYS A 45 16.320 -22.953 29.254 1.00 0.00 O ATOM 0 H LYS A 45 15.535 -24.251 32.997 1.00 0.00 H new ATOM 223 N ALA A 46 16.677 -24.708 30.621 1.00 0.00 N ATOM 224 CA ALA A 46 17.324 -25.534 29.607 1.00 0.00 C ATOM 0 H ALA A 46 16.603 -25.153 31.536 1.00 0.00 H new