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 15.923 -2.126 57.829 1.00 0.00 C ATOM 2 C GLY A 1 16.299 -0.657 57.716 1.00 0.00 C ATOM 3 N VAL A 2 15.621 0.171 58.506 1.00 0.00 N ATOM 4 CA VAL A 2 15.863 1.611 58.517 1.00 0.00 C ATOM 5 C VAL A 2 17.308 1.905 58.886 1.00 0.00 C ATOM 6 O VAL A 2 17.996 2.664 58.205 1.00 0.00 O ATOM 0 H VAL A 2 14.893 -0.134 59.152 1.00 0.00 H new ATOM 8 N ILE A 3 17.759 1.292 59.977 1.00 0.00 N ATOM 9 CA ILE A 3 19.123 1.470 60.464 1.00 0.00 C ATOM 10 C ILE A 3 20.120 0.869 59.486 1.00 0.00 C ATOM 11 O ILE A 3 21.254 1.332 59.368 1.00 0.00 O ATOM 0 H ILE A 3 17.193 0.662 60.545 1.00 0.00 H new ATOM 13 N ASP A 4 19.681 -0.172 58.785 1.00 0.00 N ATOM 14 CA ASP A 4 20.516 -0.861 57.805 1.00 0.00 C ATOM 15 C ASP A 4 21.053 0.123 56.778 1.00 0.00 C ATOM 16 O ASP A 4 22.250 0.158 56.497 1.00 0.00 O ATOM 0 H ASP A 4 18.742 -0.560 58.879 1.00 0.00 H new ATOM 18 N THR A 5 20.149 0.924 56.221 1.00 0.00 N ATOM 19 CA THR A 5 20.505 1.923 55.218 1.00 0.00 C ATOM 20 C THR A 5 21.999 1.890 54.940 1.00 0.00 C ATOM 21 O THR A 5 22.432 1.886 53.789 1.00 0.00 O ATOM 0 H THR A 5 19.155 0.900 56.450 1.00 0.00 H new ATOM 23 N SER A 6 22.782 1.867 56.014 1.00 0.00 N ATOM 24 CA SER A 6 24.239 1.835 55.917 1.00 0.00 C ATOM 25 C SER A 6 24.694 0.600 55.157 1.00 0.00 C ATOM 26 O SER A 6 25.182 0.690 54.031 1.00 0.00 O ATOM 0 H SER A 6 22.428 1.870 56.971 1.00 0.00 H new ATOM 28 N ALA A 7 24.527 -0.558 55.789 1.00 0.00 N ATOM 29 CA ALA A 7 24.913 -1.835 55.193 1.00 0.00 C ATOM 30 C ALA A 7 24.037 -2.148 53.992 1.00 0.00 C ATOM 31 O ALA A 7 24.466 -2.807 53.046 1.00 0.00 O ATOM 0 H ALA A 7 24.123 -0.639 56.722 1.00 0.00 H new ATOM 33 N VAL A 8 22.798 -1.666 54.042 1.00 0.00 N ATOM 34 CA VAL A 8 21.834 -1.880 52.967 1.00 0.00 C ATOM 35 C VAL A 8 22.364 -1.321 51.657 1.00 0.00 C ATOM 36 O VAL A 8 22.246 -1.946 50.604 1.00 0.00 O ATOM 0 H VAL A 8 22.436 -1.120 54.823 1.00 0.00 H new ATOM 38 N GLU A 9 22.951 -0.130 51.736 1.00 0.00 N ATOM 39 CA GLU A 9 23.512 0.542 50.567 1.00 0.00 C ATOM 40 C GLU A 9 24.371 -0.419 49.761 1.00 0.00 C ATOM 41 O GLU A 9 24.268 -0.491 48.538 1.00 0.00 O ATOM 0 H GLU A 9 23.051 0.394 52.606 1.00 0.00 H new ATOM 43 N SER A 10 25.223 -1.158 50.466 1.00 0.00 N ATOM 44 CA SER A 10 26.117 -2.128 49.841 1.00 0.00 C ATOM 45 C SER A 10 25.321 -3.151 49.048 1.00 0.00 C ATOM 46 O SER A 10 25.651 -3.467 47.906 1.00 0.00 O ATOM 0 H SER A 10 25.313 -1.102 51.480 1.00 0.00 H new ATOM 48 N ALA A 11 24.265 -3.666 49.671 1.00 0.00 N ATOM 49 CA ALA A 11 23.399 -4.661 49.045 1.00 0.00 C ATOM 50 C ALA A 11 22.679 -4.062 47.847 1.00 0.00 C ATOM 51 O ALA A 11 22.437 -4.737 46.848 1.00 0.00 O ATOM 0 H ALA A 11 23.986 -3.408 50.618 1.00 0.00 H new ATOM 53 N ILE A 12 22.340 -2.781 47.962 1.00 0.00 N ATOM 54 CA ILE A 12 21.644 -2.060 46.900 1.00 0.00 C ATOM 55 C ILE A 12 22.501 -2.002 45.646 1.00 0.00 C ATOM 56 O ILE A 12 22.009 -2.166 44.531 1.00 0.00 O ATOM 0 H ILE A 12 22.538 -2.216 48.788 1.00 0.00 H new ATOM 58 N THR A 13 23.795 -1.767 45.845 1.00 0.00 N ATOM 59 CA THR A 13 24.750 -1.681 44.744 1.00 0.00 C ATOM 60 C THR A 13 24.866 -3.020 44.034 1.00 0.00 C ATOM 61 O THR A 13 25.025 -3.083 42.816 1.00 0.00 O ATOM 0 H THR A 13 24.209 -1.632 46.767 1.00 0.00 H new ATOM 63 N ASP A 14 24.782 -4.094 44.815 1.00 0.00 N ATOM 64 CA ASP A 14 24.874 -5.452 44.287 1.00 0.00 C ATOM 65 C ASP A 14 23.542 -5.885 43.698 1.00 0.00 C ATOM 66 O ASP A 14 23.425 -6.125 42.497 1.00 0.00 O ATOM 0 H ASP A 14 24.649 -4.048 45.825 1.00 0.00 H new ATOM 68 N GLY A 15 22.536 -5.983 44.563 1.00 0.00 N ATOM 69 CA GLY A 15 21.193 -6.387 44.155 1.00 0.00 C ATOM 70 C GLY A 15 20.636 -5.420 43.124 1.00 0.00 C ATOM 71 O GLY A 15 20.459 -5.767 41.957 1.00 0.00 O ATOM 0 H GLY A 15 22.627 -5.786 45.560 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.220 -7.394 43.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.537 -6.418 45.025 1.00 0.00 H new ATOM 73 N GLN A 16 20.362 -4.198 43.571 1.00 0.00 N ATOM 74 CA GLN A 16 19.821 -3.153 42.706 1.00 0.00 C ATOM 75 C GLN A 16 20.827 -2.781 41.628 1.00 0.00 C ATOM 76 O GLN A 16 20.474 -2.597 40.465 1.00 0.00 O ATOM 0 H GLN A 16 20.507 -3.905 44.537 1.00 0.00 H new ATOM 78 N GLY A 17 22.089 -2.672 42.034 1.00 0.00 N ATOM 79 CA GLY A 17 23.174 -2.322 41.121 1.00 0.00 C ATOM 80 C GLY A 17 23.367 -3.412 40.080 1.00 0.00 C ATOM 81 O GLY A 17 23.448 -3.141 38.883 1.00 0.00 O ATOM 0 H GLY A 17 22.387 -2.822 42.998 1.00 0.00 H new ATOM 0 HA2 GLY A 17 22.951 -1.376 40.628 1.00 0.00 H new ATOM 0 HA3 GLY A 17 24.098 -2.179 41.682 1.00 0.00 H new ATOM 83 N ASP A 18 23.439 -4.653 40.553 1.00 0.00 N ATOM 84 CA ASP A 18 23.623 -5.810 39.682 1.00 0.00 C ATOM 85 C ASP A 18 22.390 -6.029 38.820 1.00 0.00 C ATOM 86 O ASP A 18 22.447 -6.691 37.785 1.00 0.00 O ATOM 0 H ASP A 18 23.372 -4.884 41.544 1.00 0.00 H new ATOM 88 N MET A 19 21.272 -5.461 39.262 1.00 0.00 N ATOM 89 CA MET A 19 20.003 -5.577 38.548 1.00 0.00 C ATOM 90 C MET A 19 20.089 -4.890 37.195 1.00 0.00 C ATOM 91 O MET A 19 19.667 -5.436 36.176 1.00 0.00 O ATOM 0 H MET A 19 21.219 -4.911 40.119 1.00 0.00 H new ATOM 93 N LYS A 20 20.644 -3.681 37.198 1.00 0.00 N ATOM 94 CA LYS A 20 20.800 -2.891 35.980 1.00 0.00 C ATOM 95 C LYS A 20 21.677 -3.625 34.978 1.00 0.00 C ATOM 96 O LYS A 20 21.418 -3.610 33.776 1.00 0.00 O ATOM 0 H LYS A 20 20.996 -3.224 38.039 1.00 0.00 H new ATOM 98 N ALA A 21 22.721 -4.269 35.492 1.00 0.00 N ATOM 99 CA ALA A 21 23.658 -5.021 34.663 1.00 0.00 C ATOM 100 C ALA A 21 22.952 -6.179 33.978 1.00 0.00 C ATOM 101 O ALA A 21 23.212 -6.484 32.815 1.00 0.00 O ATOM 0 H ALA A 21 22.941 -4.285 36.488 1.00 0.00 H new ATOM 103 N ILE A 22 22.053 -6.822 34.717 1.00 0.00 N ATOM 104 CA ILE A 22 21.289 -7.956 34.204 1.00 0.00 C ATOM 105 C ILE A 22 20.355 -7.510 33.091 1.00 0.00 C ATOM 106 O ILE A 22 20.203 -8.190 32.078 1.00 0.00 O ATOM 0 H ILE A 22 21.834 -6.574 35.682 1.00 0.00 H new ATOM 108 N GLY A 23 19.730 -6.354 33.295 1.00 0.00 N ATOM 109 CA GLY A 23 18.800 -5.788 32.321 1.00 0.00 C ATOM 110 C GLY A 23 19.522 -5.460 31.024 1.00 0.00 C ATOM 111 O GLY A 23 18.995 -5.669 29.933 1.00 0.00 O ATOM 0 H GLY A 23 19.852 -5.786 34.134 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.993 -6.495 32.126 1.00 0.00 H new ATOM 0 HA3 GLY A 23 18.343 -4.886 32.728 1.00 0.00 H new ATOM 113 N GLY A 24 20.739 -4.942 31.159 1.00 0.00 N ATOM 114 CA GLY A 24 21.561 -4.573 30.010 1.00 0.00 C ATOM 115 C GLY A 24 22.063 -5.816 29.294 1.00 0.00 C ATOM 116 O GLY A 24 21.942 -5.942 28.076 1.00 0.00 O ATOM 0 H GLY A 24 21.181 -4.767 32.061 1.00 0.00 H new ATOM 0 HA2 GLY A 24 20.980 -3.959 29.322 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.407 -3.969 30.339 1.00 0.00 H new ATOM 118 N TYR A 25 22.631 -6.736 30.069 1.00 0.00 N ATOM 119 CA TYR A 25 23.163 -7.986 29.534 1.00 0.00 C ATOM 120 C TYR A 25 22.074 -8.764 28.814 1.00 0.00 C ATOM 121 O TYR A 25 22.288 -9.303 27.729 1.00 0.00 O ATOM 0 H TYR A 25 22.735 -6.637 31.079 1.00 0.00 H new ATOM 123 N ILE A 26 20.899 -8.815 29.434 1.00 0.00 N ATOM 124 CA ILE A 26 19.751 -9.523 28.874 1.00 0.00 C ATOM 125 C ILE A 26 19.332 -8.896 27.554 1.00 0.00 C ATOM 126 O ILE A 26 19.040 -9.592 26.583 1.00 0.00 O ATOM 0 H ILE A 26 20.715 -8.370 30.333 1.00 0.00 H new ATOM 128 N VAL A 27 19.305 -7.566 27.532 1.00 0.00 N ATOM 129 CA VAL A 27 18.924 -6.813 26.341 1.00 0.00 C ATOM 130 C VAL A 27 19.914 -7.062 25.215 1.00 0.00 C ATOM 131 O VAL A 27 19.540 -7.151 24.046 1.00 0.00 O ATOM 0 H VAL A 27 19.545 -6.983 28.334 1.00 0.00 H new ATOM 133 N GLY A 28 21.187 -7.172 25.583 1.00 0.00 N ATOM 134 CA GLY A 28 22.259 -7.412 24.621 1.00 0.00 C ATOM 135 C GLY A 28 21.977 -8.666 23.811 1.00 0.00 C ATOM 136 O GLY A 28 22.135 -8.685 22.591 1.00 0.00 O ATOM 0 H GLY A 28 21.504 -7.098 26.550 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.355 -6.555 23.954 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.209 -7.517 25.145 1.00 0.00 H new ATOM 138 N ALA A 29 21.557 -9.718 24.508 1.00 0.00 N ATOM 139 CA ALA A 29 21.243 -10.997 23.877 1.00 0.00 C ATOM 140 C ALA A 29 20.014 -10.867 22.992 1.00 0.00 C ATOM 141 O ALA A 29 19.951 -11.434 21.903 1.00 0.00 O ATOM 0 H ALA A 29 21.425 -9.709 25.519 1.00 0.00 H new ATOM 143 N LEU A 30 19.034 -10.110 23.478 1.00 0.00 N ATOM 144 CA LEU A 30 17.788 -9.885 22.750 1.00 0.00 C ATOM 145 C LEU A 30 18.066 -9.216 21.414 1.00 0.00 C ATOM 146 O LEU A 30 17.454 -9.545 20.399 1.00 0.00 O ATOM 0 H LEU A 30 19.080 -9.638 24.381 1.00 0.00 H new ATOM 148 N VAL A 31 18.999 -8.268 21.429 1.00 0.00 N ATOM 149 CA VAL A 31 19.381 -7.531 20.228 1.00 0.00 C ATOM 150 C VAL A 31 20.004 -8.466 19.204 1.00 0.00 C ATOM 151 O VAL A 31 19.747 -8.360 18.006 1.00 0.00 O ATOM 0 H VAL A 31 19.509 -7.990 22.268 1.00 0.00 H new ATOM 153 N ILE A 32 20.829 -9.387 19.695 1.00 0.00 N ATOM 154 CA ILE A 32 21.507 -10.360 18.843 1.00 0.00 C ATOM 155 C ILE A 32 20.495 -11.260 18.153 1.00 0.00 C ATOM 156 O ILE A 32 20.612 -11.555 16.965 1.00 0.00 O ATOM 0 H ILE A 32 21.045 -9.480 20.687 1.00 0.00 H new ATOM 158 N LEU A 33 19.497 -11.694 18.918 1.00 0.00 N ATOM 159 CA LEU A 33 18.444 -12.566 18.406 1.00 0.00 C ATOM 160 C LEU A 33 17.644 -11.857 17.326 1.00 0.00 C ATOM 161 O LEU A 33 17.354 -12.423 16.273 1.00 0.00 O ATOM 0 H LEU A 33 19.395 -11.453 19.904 1.00 0.00 H new ATOM 163 N ALA A 34 17.289 -10.605 17.603 1.00 0.00 N ATOM 164 CA ALA A 34 16.518 -9.789 16.670 1.00 0.00 C ATOM 165 C ALA A 34 17.211 -9.725 15.319 1.00 0.00 C ATOM 166 O ALA A 34 16.568 -9.596 14.279 1.00 0.00 O ATOM 0 H ALA A 34 17.526 -10.130 18.474 1.00 0.00 H new ATOM 168 N VAL A 35 18.538 -9.818 15.349 1.00 0.00 N ATOM 169 CA VAL A 35 19.351 -9.774 14.137 1.00 0.00 C ATOM 170 C VAL A 35 18.946 -10.887 13.184 1.00 0.00 C ATOM 171 O VAL A 35 19.003 -10.733 11.965 1.00 0.00 O ATOM 0 H VAL A 35 19.077 -9.925 16.208 1.00 0.00 H new ATOM 173 N ALA A 36 18.537 -12.015 13.758 1.00 0.00 N ATOM 174 CA ALA A 36 18.115 -13.177 12.982 1.00 0.00 C ATOM 175 C ALA A 36 16.813 -12.886 12.253 1.00 0.00 C ATOM 176 O ALA A 36 16.629 -13.276 11.101 1.00 0.00 O ATOM 0 H ALA A 36 18.489 -12.149 14.768 1.00 0.00 H new ATOM 178 N GLY A 37 15.911 -12.193 12.942 1.00 0.00 N ATOM 179 CA GLY A 37 14.611 -11.833 12.384 1.00 0.00 C ATOM 180 C GLY A 37 14.784 -11.108 11.059 1.00 0.00 C ATOM 181 O GLY A 37 14.156 -11.453 10.059 1.00 0.00 O ATOM 0 H GLY A 37 16.059 -11.867 13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.010 -12.730 12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.071 -11.197 13.086 1.00 0.00 H new ATOM 183 N LEU A 38 15.646 -10.096 11.065 1.00 0.00 N ATOM 184 CA LEU A 38 15.924 -9.300 9.874 1.00 0.00 C ATOM 185 C LEU A 38 16.579 -10.156 8.802 1.00 0.00 C ATOM 186 O LEU A 38 16.202 -10.109 7.632 1.00 0.00 O ATOM 0 H LEU A 38 16.169 -9.805 11.891 1.00 0.00 H new ATOM 188 N ILE A 39 17.568 -10.941 9.219 1.00 0.00 N ATOM 189 CA ILE A 39 18.299 -11.823 8.314 1.00 0.00 C ATOM 190 C ILE A 39 17.339 -12.747 7.582 1.00 0.00 C ATOM 191 O ILE A 39 17.417 -12.911 6.365 1.00 0.00 O ATOM 0 H ILE A 39 17.884 -10.984 10.188 1.00 0.00 H new ATOM 193 N TYR A 40 16.430 -13.351 8.342 1.00 0.00 N ATOM 194 CA TYR A 40 15.438 -14.268 7.791 1.00 0.00 C ATOM 195 C TYR A 40 14.499 -13.534 6.848 1.00 0.00 C ATOM 196 O TYR A 40 14.182 -14.017 5.762 1.00 0.00 O ATOM 0 H TYR A 40 16.360 -13.220 9.351 1.00 0.00 H new ATOM 198 N SER A 41 14.058 -12.355 7.278 1.00 0.00 N ATOM 199 CA SER A 41 13.151 -11.527 6.490 1.00 0.00 C ATOM 200 C SER A 41 13.786 -11.159 5.159 1.00 0.00 C ATOM 201 O SER A 41 13.125 -11.141 4.122 1.00 0.00 O ATOM 0 H SER A 41 14.318 -11.949 8.177 1.00 0.00 H new ATOM 203 N MET A 42 15.082 -10.866 5.203 1.00 0.00 N ATOM 204 CA MET A 42 15.838 -10.493 4.010 1.00 0.00 C ATOM 205 C MET A 42 15.965 -11.680 3.068 1.00 0.00 C ATOM 206 O MET A 42 15.836 -11.543 1.853 1.00 0.00 O ATOM 0 H MET A 42 15.635 -10.880 6.060 1.00 0.00 H new ATOM 208 N LEU A 43 16.221 -12.849 3.648 1.00 0.00 N ATOM 209 CA LEU A 43 16.372 -14.083 2.882 1.00 0.00 C ATOM 210 C LEU A 43 15.018 -14.579 2.400 1.00 0.00 C ATOM 211 O LEU A 43 14.899 -15.150 1.318 1.00 0.00 O ATOM 0 H LEU A 43 16.329 -12.968 4.655 1.00 0.00 H new ATOM 213 N ARG A 44 13.997 -14.351 3.221 1.00 0.00 N ATOM 214 CA ARG A 44 12.633 -14.765 2.903 1.00 0.00 C ATOM 215 C ARG A 44 11.994 -13.789 1.929 1.00 0.00 C ATOM 216 O ARG A 44 11.051 -14.127 1.216 1.00 0.00 O ATOM 0 H ARG A 44 14.090 -13.877 4.120 1.00 0.00 H new ATOM 218 N LYS A 45 12.522 -12.568 1.908 1.00 0.00 N ATOM 219 CA LYS A 45 12.022 -11.516 1.028 1.00 0.00 C ATOM 220 C LYS A 45 12.971 -11.303 -0.140 1.00 0.00 C ATOM 221 O LYS A 45 12.552 -10.964 -1.246 1.00 0.00 O ATOM 0 H LYS A 45 13.304 -12.281 2.497 1.00 0.00 H new ATOM 223 N ALA A 46 14.259 -11.507 0.121 1.00 0.00 N ATOM 224 CA ALA A 46 15.296 -11.344 -0.893 1.00 0.00 C ATOM 0 H ALA A 46 14.612 -11.788 1.036 1.00 0.00 H new TER 226 ALA A 46