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 -12.407 -33.784 48.679 1.00 0.00 C ATOM 2 C GLY A 1 -13.212 -35.068 48.566 1.00 0.00 C ATOM 3 N VAL A 2 -12.820 -36.064 49.356 1.00 0.00 N ATOM 4 CA VAL A 2 -13.489 -37.361 49.367 1.00 0.00 C ATOM 5 C VAL A 2 -14.954 -37.201 49.736 1.00 0.00 C ATOM 6 O VAL A 2 -15.841 -37.714 49.055 1.00 0.00 O ATOM 0 H VAL A 2 -12.034 -35.995 50.003 1.00 0.00 H new ATOM 8 N ILE A 3 -15.197 -36.480 50.827 1.00 0.00 N ATOM 9 CA ILE A 3 -16.551 -36.233 51.314 1.00 0.00 C ATOM 10 C ILE A 3 -17.317 -35.357 50.336 1.00 0.00 C ATOM 11 O ILE A 3 -18.538 -35.452 50.218 1.00 0.00 O ATOM 0 H ILE A 3 -14.466 -36.053 51.396 1.00 0.00 H new ATOM 13 N ASP A 4 -16.581 -34.500 49.635 1.00 0.00 N ATOM 14 CA ASP A 4 -17.167 -33.589 48.655 1.00 0.00 C ATOM 15 C ASP A 4 -17.978 -34.362 47.628 1.00 0.00 C ATOM 16 O ASP A 4 -19.129 -34.031 47.347 1.00 0.00 O ATOM 0 H ASP A 4 -15.569 -34.417 49.728 1.00 0.00 H new ATOM 18 N THR A 5 -17.361 -35.400 47.071 1.00 0.00 N ATOM 19 CA THR A 5 -18.004 -36.243 46.068 1.00 0.00 C ATOM 20 C THR A 5 -19.418 -35.757 45.790 1.00 0.00 C ATOM 21 O THR A 5 -19.829 -35.621 44.639 1.00 0.00 O ATOM 0 H THR A 5 -16.407 -35.679 47.300 1.00 0.00 H new ATOM 23 N SER A 6 -20.157 -35.496 46.864 1.00 0.00 N ATOM 24 CA SER A 6 -21.534 -35.021 46.767 1.00 0.00 C ATOM 25 C SER A 6 -21.591 -33.706 46.007 1.00 0.00 C ATOM 26 O SER A 6 -22.084 -33.643 44.881 1.00 0.00 O ATOM 0 H SER A 6 -19.821 -35.607 47.821 1.00 0.00 H new ATOM 28 N ALA A 7 -21.079 -32.654 46.639 1.00 0.00 N ATOM 29 CA ALA A 7 -21.058 -31.321 46.043 1.00 0.00 C ATOM 30 C ALA A 7 -20.128 -31.289 44.842 1.00 0.00 C ATOM 31 O ALA A 7 -20.336 -30.531 43.896 1.00 0.00 O ATOM 0 H ALA A 7 -20.670 -32.700 47.572 1.00 0.00 H new ATOM 33 N VAL A 8 -19.095 -32.126 44.892 1.00 0.00 N ATOM 34 CA VAL A 8 -18.111 -32.217 43.817 1.00 0.00 C ATOM 35 C VAL A 8 -18.787 -32.587 42.507 1.00 0.00 C ATOM 36 O VAL A 8 -18.484 -32.027 41.454 1.00 0.00 O ATOM 0 H VAL A 8 -18.917 -32.757 45.674 1.00 0.00 H new ATOM 38 N GLU A 9 -19.709 -33.542 42.586 1.00 0.00 N ATOM 39 CA GLU A 9 -20.448 -34.012 41.417 1.00 0.00 C ATOM 40 C GLU A 9 -20.973 -32.835 40.611 1.00 0.00 C ATOM 41 O GLU A 9 -20.853 -32.797 39.388 1.00 0.00 O ATOM 0 H GLU A 9 -19.964 -34.010 43.456 1.00 0.00 H new ATOM 43 N SER A 10 -21.560 -31.871 41.316 1.00 0.00 N ATOM 44 CA SER A 10 -22.116 -30.675 40.691 1.00 0.00 C ATOM 45 C SER A 10 -21.046 -29.943 39.898 1.00 0.00 C ATOM 46 O SER A 10 -21.263 -29.542 38.756 1.00 0.00 O ATOM 0 H SER A 10 -21.663 -31.897 42.330 1.00 0.00 H new ATOM 48 N ALA A 11 -19.883 -29.774 40.521 1.00 0.00 N ATOM 49 CA ALA A 11 -18.754 -29.091 39.895 1.00 0.00 C ATOM 50 C ALA A 11 -18.252 -29.881 38.697 1.00 0.00 C ATOM 51 O ALA A 11 -17.816 -29.312 37.698 1.00 0.00 O ATOM 0 H ALA A 11 -19.697 -30.104 41.468 1.00 0.00 H new ATOM 53 N ILE A 12 -18.319 -31.204 38.812 1.00 0.00 N ATOM 54 CA ILE A 12 -17.876 -32.103 37.750 1.00 0.00 C ATOM 55 C ILE A 12 -18.710 -31.896 36.496 1.00 0.00 C ATOM 56 O ILE A 12 -18.191 -31.891 35.381 1.00 0.00 O ATOM 0 H ILE A 12 -18.679 -31.681 39.638 1.00 0.00 H new ATOM 58 N THR A 13 -20.014 -31.727 36.695 1.00 0.00 N ATOM 59 CA THR A 13 -20.950 -31.517 35.594 1.00 0.00 C ATOM 60 C THR A 13 -20.651 -30.206 34.884 1.00 0.00 C ATOM 61 O THR A 13 -20.784 -30.098 33.666 1.00 0.00 O ATOM 0 H THR A 13 -20.450 -31.732 37.617 1.00 0.00 H new ATOM 63 N ASP A 14 -20.245 -29.209 35.665 1.00 0.00 N ATOM 64 CA ASP A 14 -19.919 -27.888 35.137 1.00 0.00 C ATOM 65 C ASP A 14 -18.517 -27.881 34.548 1.00 0.00 C ATOM 66 O ASP A 14 -18.333 -27.688 33.347 1.00 0.00 O ATOM 0 H ASP A 14 -20.133 -29.293 36.675 1.00 0.00 H new ATOM 68 N GLY A 15 -17.530 -28.095 35.413 1.00 0.00 N ATOM 69 CA GLY A 15 -16.128 -28.119 35.005 1.00 0.00 C ATOM 70 C GLY A 15 -15.892 -29.210 33.974 1.00 0.00 C ATOM 71 O GLY A 15 -15.618 -28.934 32.807 1.00 0.00 O ATOM 0 H GLY A 15 -17.677 -28.256 36.409 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.848 -27.151 34.590 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.493 -28.289 35.875 1.00 0.00 H new ATOM 73 N GLN A 16 -16.003 -30.458 34.421 1.00 0.00 N ATOM 74 CA GLN A 16 -15.806 -31.617 33.556 1.00 0.00 C ATOM 75 C GLN A 16 -16.878 -31.665 32.478 1.00 0.00 C ATOM 76 O GLN A 16 -16.598 -31.948 31.315 1.00 0.00 O ATOM 0 H GLN A 16 -16.231 -30.693 35.387 1.00 0.00 H new ATOM 78 N GLY A 17 -18.113 -31.384 32.884 1.00 0.00 N ATOM 79 CA GLY A 17 -19.253 -31.387 31.971 1.00 0.00 C ATOM 80 C GLY A 17 -19.104 -30.290 30.930 1.00 0.00 C ATOM 81 O GLY A 17 -19.264 -30.524 29.733 1.00 0.00 O ATOM 0 H GLY A 17 -18.351 -31.149 33.848 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -19.329 -32.356 31.478 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -20.176 -31.241 32.532 1.00 0.00 H new ATOM 83 N ASP A 18 -18.795 -29.086 31.403 1.00 0.00 N ATOM 84 CA ASP A 18 -18.617 -27.928 30.532 1.00 0.00 C ATOM 85 C ASP A 18 -17.377 -28.096 29.670 1.00 0.00 C ATOM 86 O ASP A 18 -17.229 -27.448 28.635 1.00 0.00 O ATOM 0 H ASP A 18 -18.662 -28.886 32.394 1.00 0.00 H new ATOM 88 N MET A 19 -16.485 -28.977 30.112 1.00 0.00 N ATOM 89 CA MET A 19 -15.241 -29.253 29.398 1.00 0.00 C ATOM 90 C MET A 19 -15.532 -29.881 28.045 1.00 0.00 C ATOM 91 O MET A 19 -14.964 -29.490 27.026 1.00 0.00 O ATOM 0 H MET A 19 -16.602 -29.517 30.969 1.00 0.00 H new ATOM 93 N LYS A 20 -16.429 -30.864 28.048 1.00 0.00 N ATOM 94 CA LYS A 20 -16.818 -31.569 26.830 1.00 0.00 C ATOM 95 C LYS A 20 -17.430 -30.603 25.828 1.00 0.00 C ATOM 96 O LYS A 20 -17.188 -30.695 24.626 1.00 0.00 O ATOM 0 H LYS A 20 -16.904 -31.192 28.889 1.00 0.00 H new ATOM 98 N ALA A 21 -18.228 -29.671 26.342 1.00 0.00 N ATOM 99 CA ALA A 21 -18.892 -28.669 25.513 1.00 0.00 C ATOM 100 C ALA A 21 -17.866 -27.781 24.828 1.00 0.00 C ATOM 101 O ALA A 21 -18.021 -27.411 23.665 1.00 0.00 O ATOM 0 H ALA A 21 -18.432 -29.589 27.338 1.00 0.00 H new ATOM 103 N ILE A 22 -16.813 -27.443 25.567 1.00 0.00 N ATOM 104 CA ILE A 22 -15.741 -26.595 25.054 1.00 0.00 C ATOM 105 C ILE A 22 -14.987 -27.305 23.941 1.00 0.00 C ATOM 106 O ILE A 22 -14.635 -26.704 22.928 1.00 0.00 O ATOM 0 H ILE A 22 -16.679 -27.747 26.532 1.00 0.00 H new ATOM 108 N GLY A 23 -14.744 -28.597 24.145 1.00 0.00 N ATOM 109 CA GLY A 23 -14.031 -29.419 23.171 1.00 0.00 C ATOM 110 C GLY A 23 -14.818 -29.511 21.874 1.00 0.00 C ATOM 111 O GLY A 23 -14.252 -29.473 20.783 1.00 0.00 O ATOM 0 H GLY A 23 -15.033 -29.101 24.983 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.047 -28.992 22.977 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.870 -30.418 23.577 1.00 0.00 H new ATOM 113 N GLY A 24 -16.136 -29.634 22.009 1.00 0.00 N ATOM 114 CA GLY A 24 -17.031 -29.734 20.860 1.00 0.00 C ATOM 115 C GLY A 24 -17.130 -28.397 20.144 1.00 0.00 C ATOM 116 O GLY A 24 -16.977 -28.315 18.926 1.00 0.00 O ATOM 0 H GLY A 24 -16.611 -29.667 22.911 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.665 -30.496 20.172 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.021 -30.051 21.189 1.00 0.00 H new ATOM 118 N TYR A 25 -17.390 -27.348 20.919 1.00 0.00 N ATOM 119 CA TYR A 25 -17.517 -25.995 20.384 1.00 0.00 C ATOM 120 C TYR A 25 -16.242 -25.587 19.664 1.00 0.00 C ATOM 121 O TYR A 25 -16.282 -25.008 18.579 1.00 0.00 O ATOM 0 H TYR A 25 -17.518 -27.410 21.929 1.00 0.00 H new ATOM 123 N ILE A 26 -15.107 -25.896 20.284 1.00 0.00 N ATOM 124 CA ILE A 26 -13.798 -25.572 19.724 1.00 0.00 C ATOM 125 C ILE A 26 -13.590 -26.297 18.404 1.00 0.00 C ATOM 126 O ILE A 26 -13.100 -25.722 17.433 1.00 0.00 O ATOM 0 H ILE A 26 -15.068 -26.375 21.184 1.00 0.00 H new ATOM 128 N VAL A 27 -13.970 -27.571 18.382 1.00 0.00 N ATOM 129 CA VAL A 27 -13.837 -28.405 17.191 1.00 0.00 C ATOM 130 C VAL A 27 -14.704 -27.866 16.065 1.00 0.00 C ATOM 131 O VAL A 27 -14.320 -27.896 14.896 1.00 0.00 O ATOM 0 H VAL A 27 -14.377 -28.053 19.184 1.00 0.00 H new ATOM 133 N GLY A 28 -15.883 -27.373 16.433 1.00 0.00 N ATOM 134 CA GLY A 28 -16.831 -26.818 15.471 1.00 0.00 C ATOM 135 C GLY A 28 -16.180 -25.709 14.661 1.00 0.00 C ATOM 136 O GLY A 28 -16.324 -25.644 13.441 1.00 0.00 O ATOM 0 H GLY A 28 -16.207 -27.347 17.400 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.184 -27.605 14.804 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.704 -26.429 15.995 1.00 0.00 H new ATOM 138 N ALA A 29 -15.459 -24.836 15.358 1.00 0.00 N ATOM 139 CA ALA A 29 -14.770 -23.713 14.727 1.00 0.00 C ATOM 140 C ALA A 29 -13.639 -24.212 13.842 1.00 0.00 C ATOM 141 O ALA A 29 -13.407 -23.690 12.753 1.00 0.00 O ATOM 0 H ALA A 29 -15.336 -24.885 16.369 1.00 0.00 H new ATOM 143 N LEU A 30 -12.937 -25.231 14.328 1.00 0.00 N ATOM 144 CA LEU A 30 -11.819 -25.825 13.600 1.00 0.00 C ATOM 145 C LEU A 30 -12.287 -26.378 12.264 1.00 0.00 C ATOM 146 O LEU A 30 -11.604 -26.251 11.249 1.00 0.00 O ATOM 0 H LEU A 30 -13.125 -25.666 15.231 1.00 0.00 H new ATOM 148 N VAL A 31 -13.464 -26.996 12.279 1.00 0.00 N ATOM 149 CA VAL A 31 -14.053 -27.582 11.078 1.00 0.00 C ATOM 150 C VAL A 31 -14.361 -26.501 10.054 1.00 0.00 C ATOM 151 O VAL A 31 -14.149 -26.680 8.856 1.00 0.00 O ATOM 0 H VAL A 31 -14.034 -27.105 13.118 1.00 0.00 H new ATOM 153 N ILE A 32 -14.867 -25.373 10.545 1.00 0.00 N ATOM 154 CA ILE A 32 -15.216 -24.240 9.693 1.00 0.00 C ATOM 155 C ILE A 32 -13.978 -23.690 9.003 1.00 0.00 C ATOM 156 O ILE A 32 -13.999 -23.374 7.815 1.00 0.00 O ATOM 0 H ILE A 32 -15.046 -25.219 11.537 1.00 0.00 H new ATOM 158 N LEU A 33 -12.895 -23.581 9.768 1.00 0.00 N ATOM 159 CA LEU A 33 -11.626 -23.071 9.256 1.00 0.00 C ATOM 160 C LEU A 33 -11.080 -23.991 8.176 1.00 0.00 C ATOM 161 O LEU A 33 -10.631 -23.540 7.123 1.00 0.00 O ATOM 0 H LEU A 33 -12.872 -23.842 10.754 1.00 0.00 H new ATOM 163 N ALA A 34 -11.124 -25.291 8.453 1.00 0.00 N ATOM 164 CA ALA A 34 -10.638 -26.304 7.520 1.00 0.00 C ATOM 165 C ALA A 34 -11.318 -26.153 6.169 1.00 0.00 C ATOM 166 O ALA A 34 -10.744 -26.472 5.129 1.00 0.00 O ATOM 0 H ALA A 34 -11.495 -25.671 9.324 1.00 0.00 H new ATOM 168 N VAL A 35 -12.553 -25.661 6.199 1.00 0.00 N ATOM 169 CA VAL A 35 -13.341 -25.455 4.987 1.00 0.00 C ATOM 170 C VAL A 35 -12.616 -24.518 4.034 1.00 0.00 C ATOM 171 O VAL A 35 -12.717 -24.648 2.815 1.00 0.00 O ATOM 0 H VAL A 35 -13.034 -25.395 7.058 1.00 0.00 H new ATOM 173 N ALA A 36 -11.883 -23.569 4.608 1.00 0.00 N ATOM 174 CA ALA A 36 -11.127 -22.590 3.832 1.00 0.00 C ATOM 175 C ALA A 36 -9.975 -23.264 3.103 1.00 0.00 C ATOM 176 O ALA A 36 -9.681 -22.949 1.951 1.00 0.00 O ATOM 0 H ALA A 36 -11.796 -23.456 5.618 1.00 0.00 H new ATOM 178 N GLY A 37 -9.327 -24.199 3.792 1.00 0.00 N ATOM 179 CA GLY A 37 -8.199 -24.938 3.234 1.00 0.00 C ATOM 180 C GLY A 37 -8.584 -25.576 1.909 1.00 0.00 C ATOM 181 O GLY A 37 -7.881 -25.439 0.909 1.00 0.00 O ATOM 0 H GLY A 37 -9.567 -24.465 4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.353 -24.267 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.878 -25.708 3.936 1.00 0.00 H new ATOM 183 N LEU A 38 -9.714 -26.277 1.915 1.00 0.00 N ATOM 184 CA LEU A 38 -10.221 -26.951 0.724 1.00 0.00 C ATOM 185 C LEU A 38 -10.584 -25.936 -0.348 1.00 0.00 C ATOM 186 O LEU A 38 -10.240 -26.095 -1.518 1.00 0.00 O ATOM 0 H LEU A 38 -10.301 -26.394 2.741 1.00 0.00 H new ATOM 188 N ILE A 39 -11.288 -24.887 0.069 1.00 0.00 N ATOM 189 CA ILE A 39 -11.714 -23.824 -0.836 1.00 0.00 C ATOM 190 C ILE A 39 -10.519 -23.236 -1.568 1.00 0.00 C ATOM 191 O ILE A 39 -10.543 -23.057 -2.785 1.00 0.00 O ATOM 0 H ILE A 39 -11.578 -24.750 1.037 1.00 0.00 H new ATOM 193 N TYR A 40 -9.469 -22.938 -0.808 1.00 0.00 N ATOM 194 CA TYR A 40 -8.244 -22.367 -1.359 1.00 0.00 C ATOM 195 C TYR A 40 -7.574 -23.352 -2.302 1.00 0.00 C ATOM 196 O TYR A 40 -7.125 -22.989 -3.388 1.00 0.00 O ATOM 0 H TYR A 40 -9.443 -23.084 0.201 1.00 0.00 H new ATOM 198 N SER A 41 -7.513 -24.609 -1.872 1.00 0.00 N ATOM 199 CA SER A 41 -6.901 -25.675 -2.660 1.00 0.00 C ATOM 200 C SER A 41 -7.618 -25.831 -3.991 1.00 0.00 C ATOM 201 O SER A 41 -6.994 -26.050 -5.028 1.00 0.00 O ATOM 0 H SER A 41 -7.884 -24.917 -0.973 1.00 0.00 H new ATOM 203 N MET A 42 -8.942 -25.716 -3.947 1.00 0.00 N ATOM 204 CA MET A 42 -9.776 -25.840 -5.140 1.00 0.00 C ATOM 205 C MET A 42 -9.535 -24.672 -6.082 1.00 0.00 C ATOM 206 O MET A 42 -9.454 -24.841 -7.297 1.00 0.00 O ATOM 0 H MET A 42 -9.465 -25.535 -3.090 1.00 0.00 H new ATOM 208 N LEU A 43 -9.423 -23.480 -5.502 1.00 0.00 N ATOM 209 CA LEU A 43 -9.190 -22.259 -6.268 1.00 0.00 C ATOM 210 C LEU A 43 -7.750 -22.199 -6.750 1.00 0.00 C ATOM 211 O LEU A 43 -7.462 -21.691 -7.832 1.00 0.00 O ATOM 0 H LEU A 43 -9.491 -23.333 -4.495 1.00 0.00 H new ATOM 213 N ARG A 44 -6.846 -22.727 -5.929 1.00 0.00 N ATOM 214 CA ARG A 44 -5.422 -22.749 -6.247 1.00 0.00 C ATOM 215 C ARG A 44 -5.110 -23.873 -7.221 1.00 0.00 C ATOM 216 O ARG A 44 -4.109 -23.838 -7.934 1.00 0.00 O ATOM 0 H ARG A 44 -7.078 -23.149 -5.030 1.00 0.00 H new ATOM 218 N LYS A 45 -5.986 -24.875 -7.242 1.00 0.00 N ATOM 219 CA LYS A 45 -5.830 -26.029 -8.122 1.00 0.00 C ATOM 220 C LYS A 45 -6.798 -25.943 -9.290 1.00 0.00 C ATOM 221 O LYS A 45 -6.503 -26.393 -10.396 1.00 0.00 O ATOM 0 H LYS A 45 -6.818 -24.910 -6.653 1.00 0.00 H new ATOM 223 N ALA A 46 -7.963 -25.356 -9.029 1.00 0.00 N ATOM 224 CA ALA A 46 -9.000 -25.195 -10.043 1.00 0.00 C ATOM 0 H ALA A 46 -8.213 -24.981 -8.114 1.00 0.00 H new