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 -17.012 -23.484 63.929 1.00 0.00 C ATOM 2 C GLY A 1 -18.357 -24.183 63.816 1.00 0.00 C ATOM 3 N VAL A 2 -18.523 -25.241 64.606 1.00 0.00 N ATOM 4 CA VAL A 2 -19.757 -26.021 64.617 1.00 0.00 C ATOM 5 C VAL A 2 -20.940 -25.141 64.986 1.00 0.00 C ATOM 6 O VAL A 2 -21.964 -25.134 64.305 1.00 0.00 O ATOM 0 H VAL A 2 -17.811 -25.580 65.253 1.00 0.00 H new ATOM 8 N ILE A 3 -20.783 -24.396 66.077 1.00 0.00 N ATOM 9 CA ILE A 3 -21.826 -23.498 66.564 1.00 0.00 C ATOM 10 C ILE A 3 -22.043 -22.354 65.586 1.00 0.00 C ATOM 11 O ILE A 3 -23.144 -21.818 65.468 1.00 0.00 O ATOM 0 H ILE A 3 -19.936 -24.397 66.645 1.00 0.00 H new ATOM 13 N ASP A 4 -20.974 -21.987 64.885 1.00 0.00 N ATOM 14 CA ASP A 4 -21.018 -20.906 63.905 1.00 0.00 C ATOM 15 C ASP A 4 -22.109 -21.161 62.878 1.00 0.00 C ATOM 16 O ASP A 4 -22.934 -20.293 62.597 1.00 0.00 O ATOM 0 H ASP A 4 -20.059 -22.427 64.979 1.00 0.00 H new ATOM 18 N THR A 5 -22.103 -22.369 62.321 1.00 0.00 N ATOM 19 CA THR A 5 -23.084 -22.770 61.318 1.00 0.00 C ATOM 20 C THR A 5 -24.057 -21.635 61.040 1.00 0.00 C ATOM 21 O THR A 5 -24.342 -21.309 59.889 1.00 0.00 O ATOM 0 H THR A 5 -21.422 -23.093 62.551 1.00 0.00 H new ATOM 23 N SER A 6 -24.562 -21.036 62.114 1.00 0.00 N ATOM 24 CA SER A 6 -25.509 -19.929 62.017 1.00 0.00 C ATOM 25 C SER A 6 -24.893 -18.766 61.257 1.00 0.00 C ATOM 26 O SER A 6 -25.286 -18.462 60.131 1.00 0.00 O ATOM 0 H SER A 6 -24.329 -21.302 63.071 1.00 0.00 H new ATOM 28 N ALA A 7 -23.918 -18.118 61.889 1.00 0.00 N ATOM 29 CA ALA A 7 -23.225 -16.980 61.293 1.00 0.00 C ATOM 30 C ALA A 7 -22.407 -17.423 60.092 1.00 0.00 C ATOM 31 O ALA A 7 -22.202 -16.664 59.146 1.00 0.00 O ATOM 0 H ALA A 7 -23.588 -18.365 62.822 1.00 0.00 H new ATOM 33 N VAL A 8 -21.940 -18.668 60.142 1.00 0.00 N ATOM 34 CA VAL A 8 -21.138 -19.244 59.067 1.00 0.00 C ATOM 35 C VAL A 8 -21.908 -19.221 57.757 1.00 0.00 C ATOM 36 O VAL A 8 -21.363 -18.892 56.704 1.00 0.00 O ATOM 0 H VAL A 8 -22.106 -19.302 60.924 1.00 0.00 H new ATOM 38 N GLU A 9 -23.187 -19.578 57.836 1.00 0.00 N ATOM 39 CA GLU A 9 -24.062 -19.608 56.667 1.00 0.00 C ATOM 40 C GLU A 9 -23.918 -18.327 55.861 1.00 0.00 C ATOM 41 O GLU A 9 -23.795 -18.356 54.638 1.00 0.00 O ATOM 0 H GLU A 9 -23.644 -19.853 58.706 1.00 0.00 H new ATOM 43 N SER A 10 -23.936 -17.200 56.566 1.00 0.00 N ATOM 44 CA SER A 10 -23.810 -15.887 55.941 1.00 0.00 C ATOM 45 C SER A 10 -22.516 -15.797 55.148 1.00 0.00 C ATOM 46 O SER A 10 -22.501 -15.341 54.006 1.00 0.00 O ATOM 0 H SER A 10 -24.038 -17.170 57.580 1.00 0.00 H new ATOM 48 N ALA A 11 -21.428 -16.240 55.771 1.00 0.00 N ATOM 49 CA ALA A 11 -20.109 -16.223 55.145 1.00 0.00 C ATOM 50 C ALA A 11 -20.075 -17.158 53.947 1.00 0.00 C ATOM 51 O ALA A 11 -19.411 -16.888 52.948 1.00 0.00 O ATOM 0 H ALA A 11 -21.435 -16.619 56.718 1.00 0.00 H new ATOM 53 N ILE A 12 -20.804 -18.265 54.062 1.00 0.00 N ATOM 54 CA ILE A 12 -20.877 -19.265 53.000 1.00 0.00 C ATOM 55 C ILE A 12 -21.491 -18.665 51.746 1.00 0.00 C ATOM 56 O ILE A 12 -21.041 -18.923 50.631 1.00 0.00 O ATOM 0 H ILE A 12 -21.357 -18.493 54.888 1.00 0.00 H new ATOM 58 N THR A 13 -22.530 -17.858 51.945 1.00 0.00 N ATOM 59 CA THR A 13 -23.231 -17.203 50.844 1.00 0.00 C ATOM 60 C THR A 13 -22.310 -16.224 50.134 1.00 0.00 C ATOM 61 O THR A 13 -22.369 -16.063 48.916 1.00 0.00 O ATOM 0 H THR A 13 -22.908 -17.641 52.867 1.00 0.00 H new ATOM 63 N ASP A 14 -21.454 -15.570 50.915 1.00 0.00 N ATOM 64 CA ASP A 14 -20.504 -14.596 50.387 1.00 0.00 C ATOM 65 C ASP A 14 -19.292 -15.300 49.798 1.00 0.00 C ATOM 66 O ASP A 14 -19.035 -15.227 48.597 1.00 0.00 O ATOM 0 H ASP A 14 -21.400 -15.699 51.925 1.00 0.00 H new ATOM 68 N GLY A 15 -18.549 -15.984 50.663 1.00 0.00 N ATOM 69 CA GLY A 15 -17.352 -16.715 50.255 1.00 0.00 C ATOM 70 C GLY A 15 -17.701 -17.775 49.224 1.00 0.00 C ATOM 71 O GLY A 15 -17.325 -17.676 48.057 1.00 0.00 O ATOM 0 H GLY A 15 -18.757 -16.048 51.660 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.620 -16.023 49.840 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.891 -17.183 51.125 1.00 0.00 H new ATOM 73 N GLN A 16 -18.429 -18.795 49.671 1.00 0.00 N ATOM 74 CA GLN A 16 -18.846 -19.894 48.806 1.00 0.00 C ATOM 75 C GLN A 16 -19.795 -19.393 47.728 1.00 0.00 C ATOM 76 O GLN A 16 -19.696 -19.779 46.565 1.00 0.00 O ATOM 0 H GLN A 16 -18.745 -18.883 50.637 1.00 0.00 H new ATOM 78 N GLY A 17 -20.717 -18.525 48.134 1.00 0.00 N ATOM 79 CA GLY A 17 -21.702 -17.950 47.221 1.00 0.00 C ATOM 80 C GLY A 17 -21.018 -17.080 46.180 1.00 0.00 C ATOM 81 O GLY A 17 -21.275 -17.200 44.983 1.00 0.00 O ATOM 0 H GLY A 17 -20.803 -18.202 49.098 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.259 -18.747 46.728 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.424 -17.357 47.782 1.00 0.00 H new ATOM 83 N ASP A 18 -20.142 -16.198 46.653 1.00 0.00 N ATOM 84 CA ASP A 18 -19.402 -15.290 45.782 1.00 0.00 C ATOM 85 C ASP A 18 -18.417 -16.062 44.920 1.00 0.00 C ATOM 86 O ASP A 18 -17.962 -15.578 43.885 1.00 0.00 O ATOM 0 H ASP A 18 -19.926 -16.093 47.644 1.00 0.00 H new ATOM 88 N MET A 19 -18.094 -17.274 45.362 1.00 0.00 N ATOM 89 CA MET A 19 -17.162 -18.142 44.648 1.00 0.00 C ATOM 90 C MET A 19 -17.731 -18.536 43.295 1.00 0.00 C ATOM 91 O MET A 19 -17.043 -18.487 42.276 1.00 0.00 O ATOM 0 H MET A 19 -18.468 -17.680 46.220 1.00 0.00 H new ATOM 93 N LYS A 20 -19.002 -18.929 43.298 1.00 0.00 N ATOM 94 CA LYS A 20 -19.694 -19.340 42.080 1.00 0.00 C ATOM 95 C LYS A 20 -19.733 -18.197 41.078 1.00 0.00 C ATOM 96 O LYS A 20 -19.571 -18.399 39.876 1.00 0.00 O ATOM 0 H LYS A 20 -19.578 -18.971 44.139 1.00 0.00 H new ATOM 98 N ALA A 21 -19.949 -16.989 41.592 1.00 0.00 N ATOM 99 CA ALA A 21 -20.014 -15.789 40.763 1.00 0.00 C ATOM 100 C ALA A 21 -18.680 -15.543 40.078 1.00 0.00 C ATOM 101 O ALA A 21 -18.626 -15.146 38.915 1.00 0.00 O ATOM 0 H ALA A 21 -20.083 -16.815 42.588 1.00 0.00 H new ATOM 103 N ILE A 22 -17.601 -15.785 40.817 1.00 0.00 N ATOM 104 CA ILE A 22 -16.247 -15.597 40.304 1.00 0.00 C ATOM 105 C ILE A 22 -15.956 -16.591 39.191 1.00 0.00 C ATOM 106 O ILE A 22 -15.348 -16.251 38.178 1.00 0.00 O ATOM 0 H ILE A 22 -17.639 -16.115 41.782 1.00 0.00 H new ATOM 108 N GLY A 23 -16.401 -17.828 39.395 1.00 0.00 N ATOM 109 CA GLY A 23 -16.202 -18.898 38.421 1.00 0.00 C ATOM 110 C GLY A 23 -16.928 -18.579 37.124 1.00 0.00 C ATOM 111 O GLY A 23 -16.420 -18.832 36.033 1.00 0.00 O ATOM 0 H GLY A 23 -16.906 -18.116 40.233 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.137 -19.027 38.226 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.569 -19.841 38.827 1.00 0.00 H new ATOM 113 N GLY A 24 -18.126 -18.017 37.259 1.00 0.00 N ATOM 114 CA GLY A 24 -18.949 -17.650 36.110 1.00 0.00 C ATOM 115 C GLY A 24 -18.357 -16.447 35.394 1.00 0.00 C ATOM 116 O GLY A 24 -18.183 -16.454 34.176 1.00 0.00 O ATOM 0 H GLY A 24 -18.552 -17.804 38.161 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -19.019 -18.492 35.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -19.963 -17.422 36.439 1.00 0.00 H new ATOM 118 N TYR A 25 -18.050 -15.411 36.169 1.00 0.00 N ATOM 119 CA TYR A 25 -17.474 -14.181 35.634 1.00 0.00 C ATOM 120 C TYR A 25 -16.168 -14.473 34.914 1.00 0.00 C ATOM 121 O TYR A 25 -15.910 -13.955 33.829 1.00 0.00 O ATOM 0 H TYR A 25 -18.192 -15.400 37.179 1.00 0.00 H new ATOM 123 N ILE A 26 -15.346 -15.315 35.534 1.00 0.00 N ATOM 124 CA ILE A 26 -14.053 -15.698 34.974 1.00 0.00 C ATOM 125 C ILE A 26 -14.241 -16.429 33.654 1.00 0.00 C ATOM 126 O ILE A 26 -13.528 -16.182 32.683 1.00 0.00 O ATOM 0 H ILE A 26 -15.555 -15.749 36.433 1.00 0.00 H new ATOM 128 N VAL A 27 -15.214 -17.335 33.632 1.00 0.00 N ATOM 129 CA VAL A 27 -15.521 -18.122 32.441 1.00 0.00 C ATOM 130 C VAL A 27 -15.996 -17.218 31.315 1.00 0.00 C ATOM 131 O VAL A 27 -15.680 -17.438 30.146 1.00 0.00 O ATOM 0 H VAL A 27 -15.809 -17.544 34.434 1.00 0.00 H new ATOM 133 N GLY A 28 -16.763 -16.196 31.683 1.00 0.00 N ATOM 134 CA GLY A 28 -17.299 -15.237 30.721 1.00 0.00 C ATOM 135 C GLY A 28 -16.176 -14.611 29.911 1.00 0.00 C ATOM 136 O GLY A 28 -16.268 -14.481 28.691 1.00 0.00 O ATOM 0 H GLY A 28 -17.029 -16.009 32.650 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -18.002 -15.736 30.054 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.855 -14.459 31.245 1.00 0.00 H new ATOM 138 N ALA A 29 -15.112 -14.222 30.608 1.00 0.00 N ATOM 139 CA ALA A 29 -13.950 -13.603 29.977 1.00 0.00 C ATOM 140 C ALA A 29 -13.227 -14.606 29.092 1.00 0.00 C ATOM 141 O ALA A 29 -12.763 -14.274 28.003 1.00 0.00 O ATOM 0 H ALA A 29 -15.031 -14.326 31.619 1.00 0.00 H new ATOM 143 N LEU A 30 -13.138 -15.841 29.578 1.00 0.00 N ATOM 144 CA LEU A 30 -12.475 -16.919 28.850 1.00 0.00 C ATOM 145 C LEU A 30 -13.158 -17.159 27.514 1.00 0.00 C ATOM 146 O LEU A 30 -12.506 -17.395 26.499 1.00 0.00 O ATOM 0 H LEU A 30 -13.520 -16.122 30.481 1.00 0.00 H new ATOM 148 N VAL A 31 -14.487 -17.095 27.529 1.00 0.00 N ATOM 149 CA VAL A 31 -15.291 -17.302 26.328 1.00 0.00 C ATOM 150 C VAL A 31 -15.009 -16.215 25.304 1.00 0.00 C ATOM 151 O VAL A 31 -14.917 -16.477 24.106 1.00 0.00 O ATOM 0 H VAL A 31 -15.034 -16.900 28.368 1.00 0.00 H new ATOM 153 N ILE A 32 -14.874 -14.986 25.795 1.00 0.00 N ATOM 154 CA ILE A 32 -14.601 -13.832 24.943 1.00 0.00 C ATOM 155 C ILE A 32 -13.255 -13.985 24.253 1.00 0.00 C ATOM 156 O ILE A 32 -13.113 -13.702 23.065 1.00 0.00 O ATOM 0 H ILE A 32 -14.950 -14.763 26.787 1.00 0.00 H new ATOM 158 N LEU A 33 -12.266 -14.439 25.018 1.00 0.00 N ATOM 159 CA LEU A 33 -10.914 -14.642 24.506 1.00 0.00 C ATOM 160 C LEU A 33 -10.909 -15.712 23.426 1.00 0.00 C ATOM 161 O LEU A 33 -10.294 -15.550 22.373 1.00 0.00 O ATOM 0 H LEU A 33 -12.378 -14.675 26.004 1.00 0.00 H new ATOM 163 N ALA A 34 -11.605 -16.811 23.703 1.00 0.00 N ATOM 164 CA ALA A 34 -11.699 -17.930 22.770 1.00 0.00 C ATOM 165 C ALA A 34 -12.209 -17.456 21.419 1.00 0.00 C ATOM 166 O ALA A 34 -11.876 -18.021 20.379 1.00 0.00 O ATOM 0 H ALA A 34 -12.117 -16.951 24.574 1.00 0.00 H new ATOM 168 N VAL A 35 -13.025 -16.406 21.449 1.00 0.00 N ATOM 169 CA VAL A 35 -13.599 -15.829 20.237 1.00 0.00 C ATOM 170 C VAL A 35 -12.500 -15.388 19.284 1.00 0.00 C ATOM 171 O VAL A 35 -12.653 -15.449 18.065 1.00 0.00 O ATOM 0 H VAL A 35 -13.306 -15.934 22.308 1.00 0.00 H new ATOM 173 N ALA A 36 -11.387 -14.941 19.858 1.00 0.00 N ATOM 174 CA ALA A 36 -10.240 -14.480 19.082 1.00 0.00 C ATOM 175 C ALA A 36 -9.588 -15.644 18.353 1.00 0.00 C ATOM 176 O ALA A 36 -9.175 -15.522 17.201 1.00 0.00 O ATOM 0 H ALA A 36 -11.255 -14.888 20.868 1.00 0.00 H new ATOM 178 N GLY A 37 -9.503 -16.778 19.042 1.00 0.00 N ATOM 179 CA GLY A 37 -8.904 -17.987 18.484 1.00 0.00 C ATOM 180 C GLY A 37 -9.559 -18.342 17.159 1.00 0.00 C ATOM 181 O GLY A 37 -8.884 -18.580 16.159 1.00 0.00 O ATOM 0 H GLY A 37 -9.845 -16.885 19.997 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.834 -17.836 18.339 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.017 -18.813 19.186 1.00 0.00 H new ATOM 183 N LEU A 38 -10.889 -18.375 17.165 1.00 0.00 N ATOM 184 CA LEU A 38 -11.667 -18.699 15.974 1.00 0.00 C ATOM 185 C LEU A 38 -11.466 -17.640 14.902 1.00 0.00 C ATOM 186 O LEU A 38 -11.250 -17.952 13.732 1.00 0.00 O ATOM 0 H LEU A 38 -11.455 -18.179 17.991 1.00 0.00 H new ATOM 188 N ILE A 39 -11.542 -16.379 15.319 1.00 0.00 N ATOM 189 CA ILE A 39 -11.371 -15.247 14.414 1.00 0.00 C ATOM 190 C ILE A 39 -10.043 -15.345 13.682 1.00 0.00 C ATOM 191 O ILE A 39 -9.973 -15.178 12.465 1.00 0.00 O ATOM 0 H ILE A 39 -11.723 -16.114 16.287 1.00 0.00 H new ATOM 193 N TYR A 40 -8.987 -15.620 14.442 1.00 0.00 N ATOM 194 CA TYR A 40 -7.641 -15.747 13.891 1.00 0.00 C ATOM 195 C TYR A 40 -7.562 -16.936 12.948 1.00 0.00 C ATOM 196 O TYR A 40 -6.991 -16.850 11.862 1.00 0.00 O ATOM 0 H TYR A 40 -9.039 -15.760 15.451 1.00 0.00 H new ATOM 198 N SER A 41 -8.146 -18.051 13.378 1.00 0.00 N ATOM 199 CA SER A 41 -8.158 -19.280 12.590 1.00 0.00 C ATOM 200 C SER A 41 -8.856 -19.052 11.259 1.00 0.00 C ATOM 201 O SER A 41 -8.428 -19.556 10.222 1.00 0.00 O ATOM 0 H SER A 41 -8.622 -18.128 14.277 1.00 0.00 H new ATOM 203 N MET A 42 -9.939 -18.281 11.303 1.00 0.00 N ATOM 204 CA MET A 42 -10.721 -17.966 10.110 1.00 0.00 C ATOM 205 C MET A 42 -9.922 -17.081 9.168 1.00 0.00 C ATOM 206 O MET A 42 -9.937 -17.268 7.953 1.00 0.00 O ATOM 0 H MET A 42 -10.298 -17.859 12.160 1.00 0.00 H new ATOM 208 N LEU A 43 -9.221 -16.110 9.748 1.00 0.00 N ATOM 209 CA LEU A 43 -8.402 -15.175 8.982 1.00 0.00 C ATOM 210 C LEU A 43 -7.130 -15.853 8.500 1.00 0.00 C ATOM 211 O LEU A 43 -6.624 -15.561 7.418 1.00 0.00 O ATOM 0 H LEU A 43 -9.204 -15.950 10.755 1.00 0.00 H new ATOM 213 N ARG A 44 -6.618 -16.766 9.321 1.00 0.00 N ATOM 214 CA ARG A 44 -5.401 -17.506 9.003 1.00 0.00 C ATOM 215 C ARG A 44 -5.702 -18.633 8.029 1.00 0.00 C ATOM 216 O ARG A 44 -4.820 -19.110 7.316 1.00 0.00 O ATOM 0 H ARG A 44 -7.032 -17.012 10.220 1.00 0.00 H new ATOM 218 N LYS A 45 -6.963 -19.054 8.008 1.00 0.00 N ATOM 219 CA LYS A 45 -7.414 -20.128 7.128 1.00 0.00 C ATOM 220 C LYS A 45 -8.205 -19.563 5.960 1.00 0.00 C ATOM 221 O LYS A 45 -8.179 -20.101 4.854 1.00 0.00 O ATOM 0 H LYS A 45 -7.698 -18.663 8.597 1.00 0.00 H new ATOM 223 N ALA A 46 -8.912 -18.467 6.221 1.00 0.00 N ATOM 224 CA ALA A 46 -9.725 -17.803 5.207 1.00 0.00 C ATOM 0 H ALA A 46 -8.938 -18.016 7.136 1.00 0.00 H new