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 25.471 -23.480 54.779 1.00 0.00 C ATOM 2 C GLY A 1 26.965 -23.224 54.666 1.00 0.00 C ATOM 3 N VAL A 2 27.445 -22.267 55.456 1.00 0.00 N ATOM 4 CA VAL A 2 28.858 -21.900 55.467 1.00 0.00 C ATOM 5 C VAL A 2 29.716 -23.099 55.836 1.00 0.00 C ATOM 6 O VAL A 2 30.690 -23.418 55.155 1.00 0.00 O ATOM 0 H VAL A 2 26.870 -21.727 56.103 1.00 0.00 H new ATOM 8 N ILE A 3 29.341 -23.761 56.927 1.00 0.00 N ATOM 9 CA ILE A 3 30.060 -24.934 57.414 1.00 0.00 C ATOM 10 C ILE A 3 29.918 -26.089 56.436 1.00 0.00 C ATOM 11 O ILE A 3 30.803 -26.935 56.318 1.00 0.00 O ATOM 0 H ILE A 3 28.535 -23.501 57.495 1.00 0.00 H new ATOM 13 N ASP A 4 28.788 -26.113 55.735 1.00 0.00 N ATOM 14 CA ASP A 4 28.500 -27.156 54.755 1.00 0.00 C ATOM 15 C ASP A 4 29.617 -27.246 53.728 1.00 0.00 C ATOM 16 O ASP A 4 30.138 -28.324 53.447 1.00 0.00 O ATOM 0 H ASP A 4 28.050 -25.415 55.829 1.00 0.00 H new ATOM 18 N THR A 5 29.979 -26.094 53.171 1.00 0.00 N ATOM 19 CA THR A 5 31.037 -26.010 52.168 1.00 0.00 C ATOM 20 C THR A 5 31.617 -27.388 51.890 1.00 0.00 C ATOM 21 O THR A 5 31.789 -27.785 50.739 1.00 0.00 O ATOM 0 H THR A 5 29.550 -25.197 53.400 1.00 0.00 H new ATOM 23 N SER A 6 31.915 -28.113 52.964 1.00 0.00 N ATOM 24 CA SER A 6 32.480 -29.456 52.867 1.00 0.00 C ATOM 25 C SER A 6 31.539 -30.375 52.107 1.00 0.00 C ATOM 26 O SER A 6 31.820 -30.784 50.981 1.00 0.00 O ATOM 0 H SER A 6 31.773 -27.789 53.921 1.00 0.00 H new ATOM 28 N ALA A 7 30.413 -30.695 52.739 1.00 0.00 N ATOM 29 CA ALA A 7 29.405 -31.568 52.143 1.00 0.00 C ATOM 30 C ALA A 7 28.761 -30.896 50.942 1.00 0.00 C ATOM 31 O ALA A 7 28.335 -31.557 49.996 1.00 0.00 O ATOM 0 H ALA A 7 30.174 -30.359 53.672 1.00 0.00 H new ATOM 33 N VAL A 8 28.696 -29.569 50.992 1.00 0.00 N ATOM 34 CA VAL A 8 28.108 -28.776 49.917 1.00 0.00 C ATOM 35 C VAL A 8 28.834 -29.032 48.607 1.00 0.00 C ATOM 36 O VAL A 8 28.215 -29.180 47.554 1.00 0.00 O ATOM 0 H VAL A 8 29.047 -29.016 51.774 1.00 0.00 H new ATOM 38 N GLU A 9 30.161 -29.082 48.686 1.00 0.00 N ATOM 39 CA GLU A 9 31.004 -29.320 47.517 1.00 0.00 C ATOM 40 C GLU A 9 30.477 -30.496 46.711 1.00 0.00 C ATOM 41 O GLU A 9 30.368 -30.431 45.488 1.00 0.00 O ATOM 0 H GLU A 9 30.680 -28.960 49.556 1.00 0.00 H new ATOM 43 N SER A 10 30.150 -31.575 47.416 1.00 0.00 N ATOM 44 CA SER A 10 29.629 -32.787 46.791 1.00 0.00 C ATOM 45 C SER A 10 28.370 -32.478 45.998 1.00 0.00 C ATOM 46 O SER A 10 28.216 -32.908 44.856 1.00 0.00 O ATOM 0 H SER A 10 30.238 -31.634 48.430 1.00 0.00 H new ATOM 48 N ALA A 11 27.469 -31.725 46.621 1.00 0.00 N ATOM 49 CA ALA A 11 26.207 -31.339 45.995 1.00 0.00 C ATOM 50 C ALA A 11 26.460 -30.438 44.797 1.00 0.00 C ATOM 51 O ALA A 11 25.746 -30.493 43.798 1.00 0.00 O ATOM 0 H ALA A 11 27.591 -31.367 47.568 1.00 0.00 H new ATOM 53 N ILE A 12 27.491 -29.606 44.912 1.00 0.00 N ATOM 54 CA ILE A 12 27.866 -28.676 43.850 1.00 0.00 C ATOM 55 C ILE A 12 28.268 -29.435 42.596 1.00 0.00 C ATOM 56 O ILE A 12 27.918 -29.052 41.481 1.00 0.00 O ATOM 0 H ILE A 12 28.087 -29.557 45.738 1.00 0.00 H new ATOM 58 N THR A 13 29.011 -30.520 42.795 1.00 0.00 N ATOM 59 CA THR A 13 29.479 -31.357 41.694 1.00 0.00 C ATOM 60 C THR A 13 28.304 -32.009 40.984 1.00 0.00 C ATOM 61 O THR A 13 28.312 -32.180 39.766 1.00 0.00 O ATOM 0 H THR A 13 29.304 -30.842 43.717 1.00 0.00 H new ATOM 63 N ASP A 14 27.290 -32.371 41.765 1.00 0.00 N ATOM 64 CA ASP A 14 26.087 -33.009 41.237 1.00 0.00 C ATOM 65 C ASP A 14 25.148 -31.970 40.648 1.00 0.00 C ATOM 66 O ASP A 14 24.881 -31.960 39.447 1.00 0.00 O ATOM 0 H ASP A 14 27.278 -32.232 42.775 1.00 0.00 H new ATOM 68 N GLY A 15 24.648 -31.091 41.513 1.00 0.00 N ATOM 69 CA GLY A 15 23.731 -30.030 41.105 1.00 0.00 C ATOM 70 C GLY A 15 24.387 -29.127 40.074 1.00 0.00 C ATOM 71 O GLY A 15 23.998 -29.107 38.907 1.00 0.00 O ATOM 0 H GLY A 15 24.865 -31.093 42.510 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.823 -30.466 40.690 1.00 0.00 H new ATOM 0 HA3 GLY A 15 23.434 -29.443 41.974 1.00 0.00 H new ATOM 73 N GLN A 16 25.391 -28.378 40.521 1.00 0.00 N ATOM 74 CA GLN A 16 26.124 -27.458 39.656 1.00 0.00 C ATOM 75 C GLN A 16 26.874 -28.224 38.578 1.00 0.00 C ATOM 76 O GLN A 16 26.898 -27.827 37.415 1.00 0.00 O ATOM 0 H GLN A 16 25.718 -28.391 41.487 1.00 0.00 H new ATOM 78 N GLY A 17 27.488 -29.332 38.984 1.00 0.00 N ATOM 79 CA GLY A 17 28.251 -30.179 38.071 1.00 0.00 C ATOM 80 C GLY A 17 27.335 -30.800 37.030 1.00 0.00 C ATOM 81 O GLY A 17 27.615 -30.764 35.833 1.00 0.00 O ATOM 0 H GLY A 17 27.472 -29.666 39.947 1.00 0.00 H new ATOM 0 HA2 GLY A 17 29.024 -29.589 37.578 1.00 0.00 H new ATOM 0 HA3 GLY A 17 28.758 -30.964 38.632 1.00 0.00 H new ATOM 83 N ASP A 18 26.231 -31.373 37.503 1.00 0.00 N ATOM 84 CA ASP A 18 25.249 -32.013 36.632 1.00 0.00 C ATOM 85 C ASP A 18 24.547 -30.977 35.770 1.00 0.00 C ATOM 86 O ASP A 18 23.966 -31.299 34.735 1.00 0.00 O ATOM 0 H ASP A 18 25.993 -31.407 38.494 1.00 0.00 H new ATOM 88 N MET A 19 24.609 -29.724 36.212 1.00 0.00 N ATOM 89 CA MET A 19 23.985 -28.613 35.498 1.00 0.00 C ATOM 90 C MET A 19 24.648 -28.411 34.145 1.00 0.00 C ATOM 91 O MET A 19 23.977 -28.248 33.126 1.00 0.00 O ATOM 0 H MET A 19 25.090 -29.451 37.069 1.00 0.00 H new ATOM 93 N LYS A 20 25.977 -28.424 34.148 1.00 0.00 N ATOM 94 CA LYS A 20 26.762 -28.244 32.930 1.00 0.00 C ATOM 95 C LYS A 20 26.450 -29.344 31.928 1.00 0.00 C ATOM 96 O LYS A 20 26.358 -29.102 30.726 1.00 0.00 O ATOM 0 H LYS A 20 26.538 -28.559 34.989 1.00 0.00 H new ATOM 98 N ALA A 21 26.288 -30.560 32.442 1.00 0.00 N ATOM 99 CA ALA A 21 25.985 -31.723 31.613 1.00 0.00 C ATOM 100 C ALA A 21 24.639 -31.551 30.928 1.00 0.00 C ATOM 101 O ALA A 21 24.467 -31.913 29.765 1.00 0.00 O ATOM 0 H ALA A 21 26.362 -30.767 33.438 1.00 0.00 H new ATOM 103 N ILE A 22 23.685 -30.992 31.667 1.00 0.00 N ATOM 104 CA ILE A 22 22.338 -30.758 31.154 1.00 0.00 C ATOM 105 C ILE A 22 22.364 -29.723 30.041 1.00 0.00 C ATOM 106 O ILE A 22 21.681 -29.862 29.028 1.00 0.00 O ATOM 0 H ILE A 22 23.822 -30.690 32.632 1.00 0.00 H new ATOM 108 N GLY A 23 23.164 -28.681 30.245 1.00 0.00 N ATOM 109 CA GLY A 23 23.302 -27.601 29.271 1.00 0.00 C ATOM 110 C GLY A 23 23.895 -28.126 27.974 1.00 0.00 C ATOM 111 O GLY A 23 23.489 -27.730 26.883 1.00 0.00 O ATOM 0 H GLY A 23 23.732 -28.561 31.084 1.00 0.00 H new ATOM 0 HA2 GLY A 23 22.328 -27.152 29.077 1.00 0.00 H new ATOM 0 HA3 GLY A 23 23.940 -26.816 29.678 1.00 0.00 H new ATOM 113 N GLY A 24 24.865 -29.026 28.109 1.00 0.00 N ATOM 114 CA GLY A 24 25.538 -29.626 26.960 1.00 0.00 C ATOM 115 C GLY A 24 24.607 -30.592 26.244 1.00 0.00 C ATOM 116 O GLY A 24 24.443 -30.532 25.026 1.00 0.00 O ATOM 0 H GLY A 24 25.205 -29.358 29.011 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.861 -28.845 26.272 1.00 0.00 H new ATOM 0 HA3 GLY A 24 26.434 -30.152 27.289 1.00 0.00 H new ATOM 118 N TYR A 25 23.999 -31.485 27.019 1.00 0.00 N ATOM 119 CA TYR A 25 23.075 -32.481 26.484 1.00 0.00 C ATOM 120 C TYR A 25 21.921 -31.804 25.764 1.00 0.00 C ATOM 121 O TYR A 25 21.516 -32.220 24.679 1.00 0.00 O ATOM 0 H TYR A 25 24.131 -31.539 28.029 1.00 0.00 H new ATOM 123 N ILE A 26 21.394 -30.752 26.384 1.00 0.00 N ATOM 124 CA ILE A 26 20.280 -29.993 25.824 1.00 0.00 C ATOM 125 C ILE A 26 20.681 -29.355 24.504 1.00 0.00 C ATOM 126 O ILE A 26 19.926 -29.373 23.533 1.00 0.00 O ATOM 0 H ILE A 26 21.725 -30.403 27.284 1.00 0.00 H new ATOM 128 N VAL A 27 21.884 -28.788 24.482 1.00 0.00 N ATOM 129 CA VAL A 27 22.416 -28.132 23.291 1.00 0.00 C ATOM 130 C VAL A 27 22.594 -29.138 22.165 1.00 0.00 C ATOM 131 O VAL A 27 22.359 -28.832 20.996 1.00 0.00 O ATOM 0 H VAL A 27 22.514 -28.770 25.284 1.00 0.00 H new ATOM 133 N GLY A 28 23.012 -30.345 22.533 1.00 0.00 N ATOM 134 CA GLY A 28 23.231 -31.422 21.571 1.00 0.00 C ATOM 135 C GLY A 28 21.970 -31.676 20.761 1.00 0.00 C ATOM 136 O GLY A 28 22.018 -31.828 19.541 1.00 0.00 O ATOM 0 H GLY A 28 23.208 -30.604 23.500 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.052 -31.160 20.904 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.523 -32.332 22.095 1.00 0.00 H new ATOM 138 N ALA A 29 20.839 -31.722 21.458 1.00 0.00 N ATOM 139 CA ALA A 29 19.543 -31.957 20.827 1.00 0.00 C ATOM 140 C ALA A 29 19.160 -30.782 19.942 1.00 0.00 C ATOM 141 O ALA A 29 18.617 -30.956 18.853 1.00 0.00 O ATOM 0 H ALA A 29 20.794 -31.598 22.469 1.00 0.00 H new ATOM 143 N LEU A 30 19.452 -29.578 20.428 1.00 0.00 N ATOM 144 CA LEU A 30 19.148 -28.349 19.700 1.00 0.00 C ATOM 145 C LEU A 30 19.873 -28.329 18.364 1.00 0.00 C ATOM 146 O LEU A 30 19.323 -27.905 17.349 1.00 0.00 O ATOM 0 H LEU A 30 19.903 -29.427 21.331 1.00 0.00 H new ATOM 148 N VAL A 31 21.118 -28.795 18.379 1.00 0.00 N ATOM 149 CA VAL A 31 21.947 -28.843 17.178 1.00 0.00 C ATOM 150 C VAL A 31 21.348 -29.793 16.154 1.00 0.00 C ATOM 151 O VAL A 31 21.339 -29.515 14.956 1.00 0.00 O ATOM 0 H VAL A 31 21.579 -29.148 19.218 1.00 0.00 H new ATOM 153 N ILE A 32 20.844 -30.922 16.645 1.00 0.00 N ATOM 154 CA ILE A 32 20.233 -31.938 15.793 1.00 0.00 C ATOM 155 C ILE A 32 18.997 -31.382 15.103 1.00 0.00 C ATOM 156 O ILE A 32 18.776 -31.608 13.915 1.00 0.00 O ATOM 0 H ILE A 32 20.847 -31.157 17.637 1.00 0.00 H new ATOM 158 N LEU A 33 18.194 -30.648 15.868 1.00 0.00 N ATOM 159 CA LEU A 33 16.968 -30.042 15.356 1.00 0.00 C ATOM 160 C LEU A 33 17.289 -29.022 14.276 1.00 0.00 C ATOM 161 O LEU A 33 16.654 -28.988 13.223 1.00 0.00 O ATOM 0 H LEU A 33 18.373 -30.457 16.854 1.00 0.00 H new ATOM 163 N ALA A 34 18.287 -28.187 14.553 1.00 0.00 N ATOM 164 CA ALA A 34 18.718 -27.150 13.620 1.00 0.00 C ATOM 165 C ALA A 34 19.059 -27.757 12.269 1.00 0.00 C ATOM 166 O ALA A 34 18.914 -27.117 11.229 1.00 0.00 O ATOM 0 H ALA A 34 18.817 -28.209 15.424 1.00 0.00 H new ATOM 168 N VAL A 35 19.516 -29.006 12.299 1.00 0.00 N ATOM 169 CA VAL A 35 19.887 -29.730 11.087 1.00 0.00 C ATOM 170 C VAL A 35 18.706 -29.816 10.134 1.00 0.00 C ATOM 171 O VAL A 35 18.870 -29.804 8.915 1.00 0.00 O ATOM 0 H VAL A 35 19.639 -29.542 13.158 1.00 0.00 H new ATOM 173 N ALA A 36 17.510 -29.902 10.708 1.00 0.00 N ATOM 174 CA ALA A 36 16.276 -29.991 9.932 1.00 0.00 C ATOM 175 C ALA A 36 16.011 -28.684 9.203 1.00 0.00 C ATOM 176 O ALA A 36 15.579 -28.674 8.051 1.00 0.00 O ATOM 0 H ALA A 36 17.368 -29.912 11.718 1.00 0.00 H new ATOM 178 N GLY A 37 16.275 -27.578 9.892 1.00 0.00 N ATOM 179 CA GLY A 37 16.073 -26.244 9.334 1.00 0.00 C ATOM 180 C GLY A 37 16.805 -26.105 8.009 1.00 0.00 C ATOM 181 O GLY A 37 16.235 -25.673 7.009 1.00 0.00 O ATOM 0 H GLY A 37 16.633 -27.580 10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.008 -26.061 9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.433 -25.491 10.036 1.00 0.00 H new ATOM 183 N LEU A 38 18.082 -26.480 8.015 1.00 0.00 N ATOM 184 CA LEU A 38 18.922 -26.408 6.824 1.00 0.00 C ATOM 185 C LEU A 38 18.408 -27.356 5.752 1.00 0.00 C ATOM 186 O LEU A 38 18.296 -26.993 4.582 1.00 0.00 O ATOM 0 H LEU A 38 18.561 -26.840 8.841 1.00 0.00 H new ATOM 188 N ILE A 39 18.095 -28.579 6.169 1.00 0.00 N ATOM 189 CA ILE A 39 17.588 -29.606 5.264 1.00 0.00 C ATOM 190 C ILE A 39 16.352 -29.107 4.532 1.00 0.00 C ATOM 191 O ILE A 39 16.235 -29.245 3.315 1.00 0.00 O ATOM 0 H ILE A 39 18.185 -28.885 7.138 1.00 0.00 H new ATOM 193 N TYR A 40 15.430 -28.524 5.292 1.00 0.00 N ATOM 194 CA TYR A 40 14.187 -27.992 4.741 1.00 0.00 C ATOM 195 C TYR A 40 14.475 -26.836 3.798 1.00 0.00 C ATOM 196 O TYR A 40 13.905 -26.743 2.712 1.00 0.00 O ATOM 0 H TYR A 40 15.522 -28.407 6.301 1.00 0.00 H new ATOM 198 N SER A 41 15.371 -25.952 4.228 1.00 0.00 N ATOM 199 CA SER A 41 15.757 -24.785 3.440 1.00 0.00 C ATOM 200 C SER A 41 16.352 -25.215 2.109 1.00 0.00 C ATOM 201 O SER A 41 16.098 -24.604 1.072 1.00 0.00 O ATOM 0 H SER A 41 15.848 -26.023 5.127 1.00 0.00 H new ATOM 203 N MET A 42 17.149 -26.279 2.153 1.00 0.00 N ATOM 204 CA MET A 42 17.797 -26.817 0.960 1.00 0.00 C ATOM 205 C MET A 42 16.766 -27.417 0.018 1.00 0.00 C ATOM 206 O MET A 42 16.838 -27.244 -1.197 1.00 0.00 O ATOM 0 H MET A 42 17.363 -26.790 3.010 1.00 0.00 H new ATOM 208 N LEU A 43 15.803 -28.128 0.598 1.00 0.00 N ATOM 209 CA LEU A 43 14.738 -28.769 -0.168 1.00 0.00 C ATOM 210 C LEU A 43 13.733 -27.736 -0.650 1.00 0.00 C ATOM 211 O LEU A 43 13.162 -27.860 -1.732 1.00 0.00 O ATOM 0 H LEU A 43 15.739 -28.276 1.605 1.00 0.00 H new ATOM 213 N ARG A 44 13.524 -26.710 0.171 1.00 0.00 N ATOM 214 CA ARG A 44 12.590 -25.634 -0.147 1.00 0.00 C ATOM 215 C ARG A 44 13.220 -24.652 -1.121 1.00 0.00 C ATOM 216 O ARG A 44 12.526 -23.929 -1.834 1.00 0.00 O ATOM 0 H ARG A 44 13.994 -26.601 1.070 1.00 0.00 H new ATOM 218 N LYS A 45 14.550 -24.637 -1.142 1.00 0.00 N ATOM 219 CA LYS A 45 15.306 -23.751 -2.022 1.00 0.00 C ATOM 220 C LYS A 45 15.888 -24.530 -3.190 1.00 0.00 C ATOM 221 O LYS A 45 16.026 -24.010 -4.296 1.00 0.00 O ATOM 0 H LYS A 45 15.131 -25.234 -0.554 1.00 0.00 H new ATOM 223 N ALA A 46 16.227 -25.789 -2.929 1.00 0.00 N ATOM 224 CA ALA A 46 16.799 -26.670 -3.943 1.00 0.00 C ATOM 0 H ALA A 46 16.114 -26.226 -2.014 1.00 0.00 H new