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 20.868 -33.781 70.029 1.00 0.00 C ATOM 2 C GLY A 1 22.286 -34.316 69.916 1.00 0.00 C ATOM 3 N VAL A 2 23.184 -33.734 70.706 1.00 0.00 N ATOM 4 CA VAL A 2 24.588 -34.134 70.717 1.00 0.00 C ATOM 5 C VAL A 2 24.721 -35.602 71.086 1.00 0.00 C ATOM 6 O VAL A 2 25.399 -36.370 70.405 1.00 0.00 O ATOM 0 H VAL A 2 22.961 -32.977 71.352 1.00 0.00 H new ATOM 8 N ILE A 3 24.062 -35.982 72.177 1.00 0.00 N ATOM 9 CA ILE A 3 24.088 -37.359 72.664 1.00 0.00 C ATOM 10 C ILE A 3 23.381 -38.283 71.686 1.00 0.00 C ATOM 11 O ILE A 3 23.715 -39.461 71.568 1.00 0.00 O ATOM 0 H ILE A 3 23.499 -35.350 72.745 1.00 0.00 H new ATOM 13 N ASP A 4 22.395 -37.731 70.985 1.00 0.00 N ATOM 14 CA ASP A 4 21.618 -38.485 70.005 1.00 0.00 C ATOM 15 C ASP A 4 22.536 -39.128 68.978 1.00 0.00 C ATOM 16 O ASP A 4 22.439 -40.321 68.697 1.00 0.00 O ATOM 0 H ASP A 4 22.113 -36.755 71.079 1.00 0.00 H new ATOM 18 N THR A 5 23.432 -38.318 68.421 1.00 0.00 N ATOM 19 CA THR A 5 24.385 -38.781 67.418 1.00 0.00 C ATOM 20 C THR A 5 24.188 -40.263 67.140 1.00 0.00 C ATOM 21 O THR A 5 24.136 -40.693 65.989 1.00 0.00 O ATOM 0 H THR A 5 23.518 -37.328 68.651 1.00 0.00 H new ATOM 23 N SER A 6 24.079 -41.039 68.214 1.00 0.00 N ATOM 24 CA SER A 6 23.885 -42.483 68.117 1.00 0.00 C ATOM 25 C SER A 6 22.608 -42.799 67.357 1.00 0.00 C ATOM 26 O SER A 6 22.643 -43.294 66.231 1.00 0.00 O ATOM 0 H SER A 6 24.122 -40.688 69.171 1.00 0.00 H new ATOM 28 N ALA A 7 21.475 -42.505 67.989 1.00 0.00 N ATOM 29 CA ALA A 7 20.164 -42.748 67.393 1.00 0.00 C ATOM 30 C ALA A 7 19.949 -41.842 66.192 1.00 0.00 C ATOM 31 O ALA A 7 19.247 -42.196 65.246 1.00 0.00 O ATOM 0 H ALA A 7 21.439 -42.095 68.922 1.00 0.00 H new ATOM 33 N VAL A 8 20.565 -40.665 66.242 1.00 0.00 N ATOM 34 CA VAL A 8 20.459 -39.682 65.167 1.00 0.00 C ATOM 35 C VAL A 8 20.956 -40.271 63.857 1.00 0.00 C ATOM 36 O VAL A 8 20.348 -40.085 62.804 1.00 0.00 O ATOM 0 H VAL A 8 21.149 -40.366 67.023 1.00 0.00 H new ATOM 38 N GLU A 9 22.075 -40.986 63.936 1.00 0.00 N ATOM 39 CA GLU A 9 22.681 -41.618 62.767 1.00 0.00 C ATOM 40 C GLU A 9 21.631 -42.366 61.961 1.00 0.00 C ATOM 41 O GLU A 9 21.570 -42.255 60.738 1.00 0.00 O ATOM 0 H GLU A 9 22.585 -41.143 64.806 1.00 0.00 H new ATOM 43 N SER A 10 20.803 -43.131 62.666 1.00 0.00 N ATOM 44 CA SER A 10 19.740 -43.912 62.041 1.00 0.00 C ATOM 45 C SER A 10 18.811 -43.008 61.248 1.00 0.00 C ATOM 46 O SER A 10 18.460 -43.301 60.106 1.00 0.00 O ATOM 0 H SER A 10 20.849 -43.227 63.680 1.00 0.00 H new ATOM 48 N ALA A 11 18.415 -41.902 61.871 1.00 0.00 N ATOM 49 CA ALA A 11 17.522 -40.931 61.245 1.00 0.00 C ATOM 50 C ALA A 11 18.197 -40.282 60.047 1.00 0.00 C ATOM 51 O ALA A 11 17.553 -39.967 59.048 1.00 0.00 O ATOM 0 H ALA A 11 18.702 -41.654 62.818 1.00 0.00 H new ATOM 53 N ILE A 12 19.508 -40.086 60.162 1.00 0.00 N ATOM 54 CA ILE A 12 20.301 -39.474 59.100 1.00 0.00 C ATOM 55 C ILE A 12 20.264 -40.332 57.846 1.00 0.00 C ATOM 56 O ILE A 12 20.156 -39.825 56.731 1.00 0.00 O ATOM 0 H ILE A 12 20.047 -40.345 60.988 1.00 0.00 H new ATOM 58 N THR A 13 20.355 -41.644 58.045 1.00 0.00 N ATOM 59 CA THR A 13 20.335 -42.603 56.944 1.00 0.00 C ATOM 60 C THR A 13 18.991 -42.570 56.234 1.00 0.00 C ATOM 61 O THR A 13 18.911 -42.722 55.016 1.00 0.00 O ATOM 0 H THR A 13 20.444 -42.070 58.967 1.00 0.00 H new ATOM 63 N ASP A 14 17.933 -42.368 57.015 1.00 0.00 N ATOM 64 CA ASP A 14 16.573 -42.310 56.487 1.00 0.00 C ATOM 65 C ASP A 14 16.290 -40.938 55.898 1.00 0.00 C ATOM 66 O ASP A 14 16.064 -40.795 54.697 1.00 0.00 O ATOM 0 H ASP A 14 17.993 -42.241 58.025 1.00 0.00 H new ATOM 68 N GLY A 15 16.304 -39.927 56.763 1.00 0.00 N ATOM 69 CA GLY A 15 16.050 -38.548 56.355 1.00 0.00 C ATOM 70 C GLY A 15 17.073 -38.101 55.324 1.00 0.00 C ATOM 71 O GLY A 15 16.748 -37.887 54.157 1.00 0.00 O ATOM 0 H GLY A 15 16.490 -40.039 57.760 1.00 0.00 H new ATOM 0 HA2 GLY A 15 15.046 -38.465 55.939 1.00 0.00 H new ATOM 0 HA3 GLY A 15 16.091 -37.892 57.224 1.00 0.00 H new ATOM 73 N GLN A 16 18.318 -37.963 55.771 1.00 0.00 N ATOM 74 CA GLN A 16 19.416 -37.541 54.906 1.00 0.00 C ATOM 75 C GLN A 16 19.675 -38.582 53.828 1.00 0.00 C ATOM 76 O GLN A 16 19.897 -38.252 52.665 1.00 0.00 O ATOM 0 H GLN A 16 18.593 -38.139 56.737 1.00 0.00 H new ATOM 78 N GLY A 17 19.643 -39.849 54.234 1.00 0.00 N ATOM 79 CA GLY A 17 19.872 -40.965 53.321 1.00 0.00 C ATOM 80 C GLY A 17 18.767 -41.037 52.280 1.00 0.00 C ATOM 81 O GLY A 17 19.028 -41.147 51.083 1.00 0.00 O ATOM 0 H GLY A 17 19.459 -40.129 55.197 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.837 -40.847 52.828 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.913 -41.899 53.882 1.00 0.00 H new ATOM 83 N ASP A 18 17.526 -40.971 52.753 1.00 0.00 N ATOM 84 CA ASP A 18 16.355 -41.026 51.882 1.00 0.00 C ATOM 85 C ASP A 18 16.274 -39.777 51.020 1.00 0.00 C ATOM 86 O ASP A 18 15.610 -39.761 49.985 1.00 0.00 O ATOM 0 H ASP A 18 17.304 -40.878 53.744 1.00 0.00 H new ATOM 88 N MET A 19 16.962 -38.728 51.462 1.00 0.00 N ATOM 89 CA MET A 19 16.987 -37.455 50.748 1.00 0.00 C ATOM 90 C MET A 19 17.660 -37.616 49.395 1.00 0.00 C ATOM 91 O MET A 19 17.165 -37.136 48.376 1.00 0.00 O ATOM 0 H MET A 19 17.514 -38.736 52.319 1.00 0.00 H new ATOM 93 N LYS A 20 18.800 -38.301 49.398 1.00 0.00 N ATOM 94 CA LYS A 20 19.568 -38.543 48.180 1.00 0.00 C ATOM 95 C LYS A 20 18.742 -39.334 47.178 1.00 0.00 C ATOM 96 O LYS A 20 18.786 -39.078 45.976 1.00 0.00 O ATOM 0 H LYS A 20 19.216 -38.702 50.239 1.00 0.00 H new ATOM 98 N ALA A 21 17.987 -40.300 47.692 1.00 0.00 N ATOM 99 CA ALA A 21 17.136 -41.149 46.863 1.00 0.00 C ATOM 100 C ALA A 21 16.063 -40.319 46.178 1.00 0.00 C ATOM 101 O ALA A 21 15.731 -40.544 45.015 1.00 0.00 O ATOM 0 H ALA A 21 17.947 -40.516 48.688 1.00 0.00 H new ATOM 103 N ILE A 22 15.523 -39.354 46.917 1.00 0.00 N ATOM 104 CA ILE A 22 14.480 -38.470 46.404 1.00 0.00 C ATOM 105 C ILE A 22 15.027 -37.591 45.291 1.00 0.00 C ATOM 106 O ILE A 22 14.368 -37.365 44.278 1.00 0.00 O ATOM 0 H ILE A 22 15.793 -39.163 47.882 1.00 0.00 H new ATOM 108 N GLY A 23 16.245 -37.097 45.495 1.00 0.00 N ATOM 109 CA GLY A 23 16.910 -36.236 44.521 1.00 0.00 C ATOM 110 C GLY A 23 17.156 -36.989 43.224 1.00 0.00 C ATOM 111 O GLY A 23 17.006 -36.442 42.133 1.00 0.00 O ATOM 0 H GLY A 23 16.796 -37.280 46.334 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.297 -35.356 44.327 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.857 -35.881 44.927 1.00 0.00 H new ATOM 113 N GLY A 24 17.537 -38.256 43.359 1.00 0.00 N ATOM 114 CA GLY A 24 17.812 -39.114 42.210 1.00 0.00 C ATOM 115 C GLY A 24 16.521 -39.476 41.494 1.00 0.00 C ATOM 116 O GLY A 24 16.410 -39.342 40.276 1.00 0.00 O ATOM 0 H GLY A 24 17.663 -38.715 44.261 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.486 -38.604 41.521 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.319 -40.021 42.539 1.00 0.00 H new ATOM 118 N TYR A 25 15.544 -39.938 42.269 1.00 0.00 N ATOM 119 CA TYR A 25 14.243 -40.329 41.734 1.00 0.00 C ATOM 120 C TYR A 25 13.591 -39.161 41.014 1.00 0.00 C ATOM 121 O TYR A 25 13.032 -39.314 39.929 1.00 0.00 O ATOM 0 H TYR A 25 15.630 -40.052 43.279 1.00 0.00 H new ATOM 123 N ILE A 26 13.670 -37.987 41.634 1.00 0.00 N ATOM 124 CA ILE A 26 13.093 -36.768 41.074 1.00 0.00 C ATOM 125 C ILE A 26 13.762 -36.421 39.754 1.00 0.00 C ATOM 126 O ILE A 26 13.102 -36.054 38.783 1.00 0.00 O ATOM 0 H ILE A 26 14.133 -37.854 42.533 1.00 0.00 H new ATOM 128 N VAL A 27 15.087 -36.541 39.732 1.00 0.00 N ATOM 129 CA VAL A 27 15.877 -36.246 38.541 1.00 0.00 C ATOM 130 C VAL A 27 15.521 -37.202 37.415 1.00 0.00 C ATOM 131 O VAL A 27 15.474 -36.820 36.246 1.00 0.00 O ATOM 0 H VAL A 27 15.640 -36.844 40.534 1.00 0.00 H new ATOM 133 N GLY A 28 15.270 -38.455 37.783 1.00 0.00 N ATOM 134 CA GLY A 28 14.914 -39.495 36.821 1.00 0.00 C ATOM 135 C GLY A 28 13.698 -39.076 36.011 1.00 0.00 C ATOM 136 O GLY A 28 13.663 -39.230 34.791 1.00 0.00 O ATOM 0 H GLY A 28 15.307 -38.777 38.750 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.755 -39.685 36.154 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.706 -40.428 37.345 1.00 0.00 H new ATOM 138 N ALA A 29 12.699 -38.542 36.708 1.00 0.00 N ATOM 139 CA ALA A 29 11.463 -38.089 36.077 1.00 0.00 C ATOM 140 C ALA A 29 11.728 -36.881 35.192 1.00 0.00 C ATOM 141 O ALA A 29 11.171 -36.756 34.103 1.00 0.00 O ATOM 0 H ALA A 29 12.722 -38.412 37.719 1.00 0.00 H new ATOM 143 N LEU A 30 12.589 -35.991 35.678 1.00 0.00 N ATOM 144 CA LEU A 30 12.950 -34.778 34.950 1.00 0.00 C ATOM 145 C LEU A 30 13.584 -35.127 33.614 1.00 0.00 C ATOM 146 O LEU A 30 13.325 -34.483 32.599 1.00 0.00 O ATOM 0 H LEU A 30 13.053 -36.089 36.581 1.00 0.00 H new ATOM 148 N VAL A 31 14.423 -36.159 33.629 1.00 0.00 N ATOM 149 CA VAL A 31 15.114 -36.621 32.428 1.00 0.00 C ATOM 150 C VAL A 31 14.115 -37.136 31.404 1.00 0.00 C ATOM 151 O VAL A 31 14.249 -36.893 30.206 1.00 0.00 O ATOM 0 H VAL A 31 14.642 -36.696 34.468 1.00 0.00 H new ATOM 153 N ILE A 32 13.109 -37.855 31.895 1.00 0.00 N ATOM 154 CA ILE A 32 12.067 -38.421 31.043 1.00 0.00 C ATOM 155 C ILE A 32 11.284 -37.316 30.353 1.00 0.00 C ATOM 156 O ILE A 32 10.978 -37.399 29.165 1.00 0.00 O ATOM 0 H ILE A 32 12.993 -38.061 32.887 1.00 0.00 H new ATOM 158 N LEU A 33 10.963 -36.276 31.118 1.00 0.00 N ATOM 159 CA LEU A 33 10.212 -35.134 30.606 1.00 0.00 C ATOM 160 C LEU A 33 11.006 -34.416 29.526 1.00 0.00 C ATOM 161 O LEU A 33 10.475 -34.066 28.473 1.00 0.00 O ATOM 0 H LEU A 33 11.214 -36.201 32.104 1.00 0.00 H new ATOM 163 N ALA A 34 12.289 -34.202 29.803 1.00 0.00 N ATOM 164 CA ALA A 34 13.186 -33.525 28.870 1.00 0.00 C ATOM 165 C ALA A 34 13.172 -34.222 27.519 1.00 0.00 C ATOM 166 O ALA A 34 13.371 -33.596 26.479 1.00 0.00 O ATOM 0 H ALA A 34 12.734 -34.490 30.674 1.00 0.00 H new ATOM 168 N VAL A 35 12.934 -35.530 27.549 1.00 0.00 N ATOM 169 CA VAL A 35 12.888 -36.343 26.337 1.00 0.00 C ATOM 170 C VAL A 35 11.826 -35.818 25.384 1.00 0.00 C ATOM 171 O VAL A 35 11.973 -35.891 24.165 1.00 0.00 O ATOM 0 H VAL A 35 12.768 -36.054 28.408 1.00 0.00 H new ATOM 173 N ALA A 36 10.751 -35.287 25.958 1.00 0.00 N ATOM 174 CA ALA A 36 9.642 -34.739 25.182 1.00 0.00 C ATOM 175 C ALA A 36 10.075 -33.477 24.453 1.00 0.00 C ATOM 176 O ALA A 36 9.708 -33.251 23.301 1.00 0.00 O ATOM 0 H ALA A 36 10.623 -35.224 26.968 1.00 0.00 H new ATOM 178 N GLY A 37 10.863 -32.657 25.142 1.00 0.00 N ATOM 179 CA GLY A 37 11.364 -31.405 24.584 1.00 0.00 C ATOM 180 C GLY A 37 12.066 -31.656 23.259 1.00 0.00 C ATOM 181 O GLY A 37 11.793 -30.994 22.259 1.00 0.00 O ATOM 0 H GLY A 37 11.171 -32.840 26.097 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.538 -30.709 24.439 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.055 -30.938 25.286 1.00 0.00 H new ATOM 183 N LEU A 38 12.977 -32.625 23.265 1.00 0.00 N ATOM 184 CA LEU A 38 13.738 -32.989 22.074 1.00 0.00 C ATOM 185 C LEU A 38 12.814 -33.546 21.002 1.00 0.00 C ATOM 186 O LEU A 38 12.902 -33.177 19.832 1.00 0.00 O ATOM 0 H LEU A 38 13.208 -33.177 24.091 1.00 0.00 H new ATOM 188 N ILE A 39 11.925 -34.443 21.419 1.00 0.00 N ATOM 189 CA ILE A 39 10.968 -35.071 20.514 1.00 0.00 C ATOM 190 C ILE A 39 10.155 -34.016 19.782 1.00 0.00 C ATOM 191 O ILE A 39 9.984 -34.075 18.565 1.00 0.00 O ATOM 0 H ILE A 39 11.848 -34.753 22.388 1.00 0.00 H new ATOM 193 N TYR A 40 9.655 -33.045 20.542 1.00 0.00 N ATOM 194 CA TYR A 40 8.853 -31.957 19.991 1.00 0.00 C ATOM 195 C TYR A 40 9.686 -31.106 19.048 1.00 0.00 C ATOM 196 O TYR A 40 9.241 -30.737 17.962 1.00 0.00 O ATOM 0 H TYR A 40 9.793 -32.990 21.551 1.00 0.00 H new ATOM 198 N SER A 41 10.906 -30.797 19.478 1.00 0.00 N ATOM 199 CA SER A 41 11.830 -29.987 18.690 1.00 0.00 C ATOM 200 C SER A 41 12.125 -30.659 17.359 1.00 0.00 C ATOM 201 O SER A 41 12.216 -30.004 16.322 1.00 0.00 O ATOM 0 H SER A 41 11.281 -31.099 20.377 1.00 0.00 H new ATOM 203 N MET A 42 12.274 -31.980 17.403 1.00 0.00 N ATOM 204 CA MET A 42 12.560 -32.772 16.210 1.00 0.00 C ATOM 205 C MET A 42 11.367 -32.768 15.268 1.00 0.00 C ATOM 206 O MET A 42 11.517 -32.654 14.053 1.00 0.00 O ATOM 0 H MET A 42 12.201 -32.529 18.260 1.00 0.00 H new ATOM 208 N LEU A 43 10.177 -32.893 15.848 1.00 0.00 N ATOM 209 CA LEU A 43 8.934 -32.906 15.082 1.00 0.00 C ATOM 210 C LEU A 43 8.591 -31.506 14.600 1.00 0.00 C ATOM 211 O LEU A 43 8.036 -31.325 13.518 1.00 0.00 O ATOM 0 H LEU A 43 10.047 -32.988 16.855 1.00 0.00 H new ATOM 213 N ARG A 44 8.930 -30.516 15.421 1.00 0.00 N ATOM 214 CA ARG A 44 8.669 -29.115 15.103 1.00 0.00 C ATOM 215 C ARG A 44 9.710 -28.588 14.129 1.00 0.00 C ATOM 216 O ARG A 44 9.478 -27.613 13.416 1.00 0.00 O ATOM 0 H ARG A 44 9.390 -30.660 16.320 1.00 0.00 H new ATOM 218 N LYS A 45 10.865 -29.248 14.108 1.00 0.00 N ATOM 219 CA LYS A 45 11.965 -28.867 13.228 1.00 0.00 C ATOM 220 C LYS A 45 12.072 -29.833 12.060 1.00 0.00 C ATOM 221 O LYS A 45 12.455 -29.455 10.954 1.00 0.00 O ATOM 0 H LYS A 45 11.064 -30.057 14.697 1.00 0.00 H new ATOM 223 N ALA A 46 11.727 -31.091 12.321 1.00 0.00 N ATOM 224 CA ALA A 46 11.774 -32.140 11.307 1.00 0.00 C ATOM 0 H ALA A 46 11.409 -31.411 13.236 1.00 0.00 H new