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 -1.411 -40.912 66.979 1.00 0.00 C ATOM 2 C GLY A 1 -1.321 -42.425 66.866 1.00 0.00 C ATOM 3 N VAL A 2 -0.423 -43.008 67.656 1.00 0.00 N ATOM 4 CA VAL A 2 -0.214 -44.453 67.667 1.00 0.00 C ATOM 5 C VAL A 2 -1.501 -45.173 68.036 1.00 0.00 C ATOM 6 O VAL A 2 -1.925 -46.106 67.355 1.00 0.00 O ATOM 0 H VAL A 2 0.177 -42.496 68.303 1.00 0.00 H new ATOM 8 N ILE A 3 -2.117 -44.727 69.127 1.00 0.00 N ATOM 9 CA ILE A 3 -3.362 -45.312 69.614 1.00 0.00 C ATOM 10 C ILE A 3 -4.495 -45.044 68.636 1.00 0.00 C ATOM 11 O ILE A 3 -5.434 -45.830 68.518 1.00 0.00 O ATOM 0 H ILE A 3 -1.770 -43.955 69.695 1.00 0.00 H new ATOM 13 N ASP A 4 -4.394 -43.918 67.935 1.00 0.00 N ATOM 14 CA ASP A 4 -5.399 -43.517 66.955 1.00 0.00 C ATOM 15 C ASP A 4 -5.611 -44.617 65.928 1.00 0.00 C ATOM 16 O ASP A 4 -6.740 -45.016 65.647 1.00 0.00 O ATOM 0 H ASP A 4 -3.619 -43.262 68.029 1.00 0.00 H new ATOM 18 N THR A 5 -4.506 -45.104 65.371 1.00 0.00 N ATOM 19 CA THR A 5 -4.540 -46.164 64.368 1.00 0.00 C ATOM 20 C THR A 5 -5.973 -46.589 64.090 1.00 0.00 C ATOM 21 O THR A 5 -6.387 -46.716 62.939 1.00 0.00 O ATOM 0 H THR A 5 -3.567 -44.778 65.600 1.00 0.00 H new ATOM 23 N SER A 6 -6.726 -46.806 65.164 1.00 0.00 N ATOM 24 CA SER A 6 -8.123 -47.218 65.067 1.00 0.00 C ATOM 25 C SER A 6 -8.933 -46.181 64.307 1.00 0.00 C ATOM 26 O SER A 6 -9.371 -46.416 63.181 1.00 0.00 O ATOM 0 H SER A 6 -6.388 -46.702 66.121 1.00 0.00 H new ATOM 28 N ALA A 7 -9.127 -45.027 64.939 1.00 0.00 N ATOM 29 CA ALA A 7 -9.884 -43.929 64.343 1.00 0.00 C ATOM 30 C ALA A 7 -9.145 -43.363 63.142 1.00 0.00 C ATOM 31 O ALA A 7 -9.755 -42.867 62.196 1.00 0.00 O ATOM 0 H ALA A 7 -8.767 -44.827 65.872 1.00 0.00 H new ATOM 33 N VAL A 8 -7.818 -43.446 63.192 1.00 0.00 N ATOM 34 CA VAL A 8 -6.965 -42.948 62.117 1.00 0.00 C ATOM 35 C VAL A 8 -7.300 -43.642 60.807 1.00 0.00 C ATOM 36 O VAL A 8 -7.378 -43.010 59.754 1.00 0.00 O ATOM 0 H VAL A 8 -7.307 -43.857 63.973 1.00 0.00 H new ATOM 38 N GLU A 9 -7.496 -44.955 60.886 1.00 0.00 N ATOM 39 CA GLU A 9 -7.825 -45.766 59.717 1.00 0.00 C ATOM 40 C GLU A 9 -8.936 -45.113 58.911 1.00 0.00 C ATOM 41 O GLU A 9 -8.860 -45.012 57.688 1.00 0.00 O ATOM 0 H GLU A 9 -7.432 -45.484 61.756 1.00 0.00 H new ATOM 43 N SER A 10 -9.973 -44.669 59.616 1.00 0.00 N ATOM 44 CA SER A 10 -11.120 -44.017 58.991 1.00 0.00 C ATOM 45 C SER A 10 -10.674 -42.800 58.198 1.00 0.00 C ATOM 46 O SER A 10 -11.084 -42.599 57.056 1.00 0.00 O ATOM 0 H SER A 10 -10.042 -44.750 60.630 1.00 0.00 H new ATOM 48 N ALA A 11 -9.825 -41.987 58.821 1.00 0.00 N ATOM 49 CA ALA A 11 -9.303 -40.776 58.195 1.00 0.00 C ATOM 50 C ALA A 11 -8.435 -41.127 56.997 1.00 0.00 C ATOM 51 O ALA A 11 -8.411 -40.411 55.998 1.00 0.00 O ATOM 0 H ALA A 11 -9.481 -42.148 59.768 1.00 0.00 H new ATOM 53 N ILE A 12 -7.722 -42.244 57.112 1.00 0.00 N ATOM 54 CA ILE A 12 -6.839 -42.718 56.050 1.00 0.00 C ATOM 55 C ILE A 12 -7.638 -43.034 54.796 1.00 0.00 C ATOM 56 O ILE A 12 -7.219 -42.729 53.681 1.00 0.00 O ATOM 0 H ILE A 12 -7.739 -42.843 57.938 1.00 0.00 H new ATOM 58 N THR A 13 -8.798 -43.653 54.995 1.00 0.00 N ATOM 59 CA THR A 13 -9.682 -44.026 53.894 1.00 0.00 C ATOM 60 C THR A 13 -10.200 -42.786 53.184 1.00 0.00 C ATOM 61 O THR A 13 -10.371 -42.774 51.966 1.00 0.00 O ATOM 0 H THR A 13 -9.151 -43.909 55.917 1.00 0.00 H new ATOM 63 N ASP A 14 -10.448 -41.738 53.965 1.00 0.00 N ATOM 64 CA ASP A 14 -10.949 -40.472 53.437 1.00 0.00 C ATOM 65 C ASP A 14 -9.812 -39.653 52.848 1.00 0.00 C ATOM 66 O ASP A 14 -9.774 -39.389 51.647 1.00 0.00 O ATOM 0 H ASP A 14 -10.308 -41.742 54.975 1.00 0.00 H new ATOM 68 N GLY A 15 -8.884 -39.254 53.713 1.00 0.00 N ATOM 69 CA GLY A 15 -7.729 -38.460 53.305 1.00 0.00 C ATOM 70 C GLY A 15 -6.903 -39.211 52.274 1.00 0.00 C ATOM 71 O GLY A 15 -6.840 -38.827 51.107 1.00 0.00 O ATOM 0 H GLY A 15 -8.910 -39.470 54.710 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.063 -37.509 52.889 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.114 -38.229 54.175 1.00 0.00 H new ATOM 73 N GLN A 16 -6.269 -40.292 52.721 1.00 0.00 N ATOM 74 CA GLN A 16 -5.436 -41.121 51.856 1.00 0.00 C ATOM 75 C GLN A 16 -6.281 -41.783 50.778 1.00 0.00 C ATOM 76 O GLN A 16 -5.888 -41.850 49.615 1.00 0.00 O ATOM 0 H GLN A 16 -6.318 -40.616 53.687 1.00 0.00 H new ATOM 78 N GLY A 17 -7.450 -42.271 51.184 1.00 0.00 N ATOM 79 CA GLY A 17 -8.376 -42.935 50.271 1.00 0.00 C ATOM 80 C GLY A 17 -8.892 -41.956 49.230 1.00 0.00 C ATOM 81 O GLY A 17 -8.886 -42.239 48.033 1.00 0.00 O ATOM 0 H GLY A 17 -7.780 -42.218 52.148 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.875 -43.768 49.778 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.212 -43.353 50.832 1.00 0.00 H new ATOM 83 N ASP A 18 -9.339 -40.796 49.703 1.00 0.00 N ATOM 84 CA ASP A 18 -9.867 -39.750 48.832 1.00 0.00 C ATOM 85 C ASP A 18 -8.759 -39.166 47.970 1.00 0.00 C ATOM 86 O ASP A 18 -9.015 -38.553 46.935 1.00 0.00 O ATOM 0 H ASP A 18 -9.346 -40.555 50.694 1.00 0.00 H new ATOM 88 N MET A 19 -7.521 -39.366 48.412 1.00 0.00 N ATOM 89 CA MET A 19 -6.348 -38.869 47.698 1.00 0.00 C ATOM 90 C MET A 19 -6.221 -39.549 46.345 1.00 0.00 C ATOM 91 O MET A 19 -5.985 -38.901 45.326 1.00 0.00 O ATOM 0 H MET A 19 -7.303 -39.874 49.269 1.00 0.00 H new ATOM 93 N LYS A 20 -6.380 -40.869 46.348 1.00 0.00 N ATOM 94 CA LYS A 20 -6.288 -41.669 45.130 1.00 0.00 C ATOM 95 C LYS A 20 -7.347 -41.238 44.128 1.00 0.00 C ATOM 96 O LYS A 20 -7.096 -41.173 42.926 1.00 0.00 O ATOM 0 H LYS A 20 -6.575 -41.412 47.189 1.00 0.00 H new ATOM 98 N ALA A 21 -8.538 -40.943 44.642 1.00 0.00 N ATOM 99 CA ALA A 21 -9.660 -40.512 43.813 1.00 0.00 C ATOM 100 C ALA A 21 -9.341 -39.194 43.128 1.00 0.00 C ATOM 101 O ALA A 21 -9.681 -38.983 41.965 1.00 0.00 O ATOM 0 H ALA A 21 -8.752 -40.995 45.638 1.00 0.00 H new ATOM 103 N ILE A 22 -8.680 -38.307 43.867 1.00 0.00 N ATOM 104 CA ILE A 22 -8.298 -36.994 43.354 1.00 0.00 C ATOM 105 C ILE A 22 -7.273 -37.135 42.241 1.00 0.00 C ATOM 106 O ILE A 22 -7.335 -36.441 41.228 1.00 0.00 O ATOM 0 H ILE A 22 -8.396 -38.476 44.832 1.00 0.00 H new ATOM 108 N GLY A 23 -6.325 -38.045 42.445 1.00 0.00 N ATOM 109 CA GLY A 23 -5.267 -38.301 41.471 1.00 0.00 C ATOM 110 C GLY A 23 -5.854 -38.833 40.174 1.00 0.00 C ATOM 111 O GLY A 23 -5.416 -38.473 39.083 1.00 0.00 O ATOM 0 H GLY A 23 -6.268 -38.622 43.284 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.714 -37.382 41.277 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.557 -39.021 41.878 1.00 0.00 H new ATOM 113 N GLY A 24 -6.855 -39.698 40.309 1.00 0.00 N ATOM 114 CA GLY A 24 -7.526 -40.300 39.160 1.00 0.00 C ATOM 115 C GLY A 24 -8.383 -39.269 38.444 1.00 0.00 C ATOM 116 O GLY A 24 -8.306 -39.112 37.226 1.00 0.00 O ATOM 0 H GLY A 24 -7.222 -40.000 41.211 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.786 -40.708 38.472 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.147 -41.133 39.489 1.00 0.00 H new ATOM 118 N TYR A 25 -9.204 -38.565 39.219 1.00 0.00 N ATOM 119 CA TYR A 25 -10.092 -37.537 38.684 1.00 0.00 C ATOM 120 C TYR A 25 -9.292 -36.464 37.964 1.00 0.00 C ATOM 121 O TYR A 25 -9.660 -36.016 36.879 1.00 0.00 O ATOM 0 H TYR A 25 -9.272 -38.690 40.229 1.00 0.00 H new ATOM 123 N ILE A 26 -8.188 -36.057 38.584 1.00 0.00 N ATOM 124 CA ILE A 26 -7.311 -35.034 38.024 1.00 0.00 C ATOM 125 C ILE A 26 -6.720 -35.503 36.704 1.00 0.00 C ATOM 126 O ILE A 26 -6.655 -34.751 35.733 1.00 0.00 O ATOM 0 H ILE A 26 -7.878 -36.425 39.483 1.00 0.00 H new ATOM 128 N VAL A 27 -6.290 -36.761 36.682 1.00 0.00 N ATOM 129 CA VAL A 27 -5.697 -37.362 35.491 1.00 0.00 C ATOM 130 C VAL A 27 -6.716 -37.427 34.365 1.00 0.00 C ATOM 131 O VAL A 27 -6.386 -37.229 33.196 1.00 0.00 O ATOM 0 H VAL A 27 -6.342 -37.389 37.484 1.00 0.00 H new ATOM 133 N GLY A 28 -7.962 -37.710 34.733 1.00 0.00 N ATOM 134 CA GLY A 28 -9.056 -37.809 33.771 1.00 0.00 C ATOM 135 C GLY A 28 -9.170 -36.528 32.961 1.00 0.00 C ATOM 136 O GLY A 28 -9.326 -36.558 31.741 1.00 0.00 O ATOM 0 H GLY A 28 -8.241 -37.876 35.700 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.886 -38.654 33.104 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.993 -38.000 34.295 1.00 0.00 H new ATOM 138 N ALA A 29 -9.090 -35.398 33.658 1.00 0.00 N ATOM 139 CA ALA A 29 -9.181 -34.084 33.027 1.00 0.00 C ATOM 140 C ALA A 29 -7.971 -33.833 32.142 1.00 0.00 C ATOM 141 O ALA A 29 -8.084 -33.274 31.053 1.00 0.00 O ATOM 0 H ALA A 29 -8.961 -35.366 34.669 1.00 0.00 H new ATOM 143 N LEU A 30 -6.807 -34.256 32.628 1.00 0.00 N ATOM 144 CA LEU A 30 -5.552 -34.090 31.900 1.00 0.00 C ATOM 145 C LEU A 30 -5.612 -34.813 30.564 1.00 0.00 C ATOM 146 O LEU A 30 -5.130 -34.313 29.549 1.00 0.00 O ATOM 0 H LEU A 30 -6.707 -34.720 33.531 1.00 0.00 H new ATOM 148 N VAL A 31 -6.212 -35.999 30.579 1.00 0.00 N ATOM 149 CA VAL A 31 -6.351 -36.818 29.378 1.00 0.00 C ATOM 150 C VAL A 31 -7.229 -36.117 28.354 1.00 0.00 C ATOM 151 O VAL A 31 -6.952 -36.139 27.156 1.00 0.00 O ATOM 0 H VAL A 31 -6.613 -36.418 31.418 1.00 0.00 H new ATOM 153 N ILE A 32 -8.296 -35.492 28.845 1.00 0.00 N ATOM 154 CA ILE A 32 -9.238 -34.772 27.993 1.00 0.00 C ATOM 155 C ILE A 32 -8.549 -33.606 27.303 1.00 0.00 C ATOM 156 O ILE A 32 -8.750 -33.360 26.115 1.00 0.00 O ATOM 0 H ILE A 32 -8.531 -35.470 29.837 1.00 0.00 H new ATOM 158 N LEU A 33 -7.731 -32.888 28.068 1.00 0.00 N ATOM 159 CA LEU A 33 -6.994 -31.737 27.556 1.00 0.00 C ATOM 160 C LEU A 33 -6.015 -32.168 26.476 1.00 0.00 C ATOM 161 O LEU A 33 -5.912 -31.541 25.423 1.00 0.00 O ATOM 0 H LEU A 33 -7.561 -33.086 29.054 1.00 0.00 H new ATOM 163 N ALA A 34 -5.296 -33.252 26.753 1.00 0.00 N ATOM 164 CA ALA A 34 -4.312 -33.795 25.820 1.00 0.00 C ATOM 165 C ALA A 34 -4.954 -34.067 24.469 1.00 0.00 C ATOM 166 O ALA A 34 -4.301 -33.993 23.429 1.00 0.00 O ATOM 0 H ALA A 34 -5.377 -33.776 27.624 1.00 0.00 H new ATOM 168 N VAL A 35 -6.245 -34.383 24.499 1.00 0.00 N ATOM 169 CA VAL A 35 -7.006 -34.673 23.287 1.00 0.00 C ATOM 170 C VAL A 35 -6.960 -33.489 22.334 1.00 0.00 C ATOM 171 O VAL A 35 -6.967 -33.653 21.115 1.00 0.00 O ATOM 0 H VAL A 35 -6.791 -34.445 25.358 1.00 0.00 H new ATOM 173 N ALA A 36 -6.914 -32.290 22.908 1.00 0.00 N ATOM 174 CA ALA A 36 -6.866 -31.055 22.132 1.00 0.00 C ATOM 175 C ALA A 36 -5.538 -30.935 21.403 1.00 0.00 C ATOM 176 O ALA A 36 -5.481 -30.507 20.251 1.00 0.00 O ATOM 0 H ALA A 36 -6.909 -32.148 23.918 1.00 0.00 H new ATOM 178 N GLY A 37 -4.467 -31.320 22.092 1.00 0.00 N ATOM 179 CA GLY A 37 -3.120 -31.267 21.534 1.00 0.00 C ATOM 180 C GLY A 37 -3.063 -32.010 20.209 1.00 0.00 C ATOM 181 O GLY A 37 -2.570 -31.490 19.209 1.00 0.00 O ATOM 0 H GLY A 37 -4.508 -31.675 23.047 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.821 -30.229 21.389 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.412 -31.708 22.236 1.00 0.00 H new ATOM 183 N LEU A 38 -3.576 -33.237 20.215 1.00 0.00 N ATOM 184 CA LEU A 38 -3.597 -34.080 19.024 1.00 0.00 C ATOM 185 C LEU A 38 -4.482 -33.464 17.952 1.00 0.00 C ATOM 186 O LEU A 38 -4.109 -33.394 16.782 1.00 0.00 O ATOM 0 H LEU A 38 -3.987 -33.673 21.041 1.00 0.00 H new ATOM 188 N ILE A 39 -5.664 -33.018 18.369 1.00 0.00 N ATOM 189 CA ILE A 39 -6.629 -32.401 17.464 1.00 0.00 C ATOM 190 C ILE A 39 -5.996 -31.228 16.732 1.00 0.00 C ATOM 191 O ILE A 39 -6.121 -31.096 15.515 1.00 0.00 O ATOM 0 H ILE A 39 -5.978 -33.074 19.338 1.00 0.00 H new ATOM 193 N TYR A 40 -5.315 -30.376 17.492 1.00 0.00 N ATOM 194 CA TYR A 40 -4.649 -29.199 16.941 1.00 0.00 C ATOM 195 C TYR A 40 -3.531 -29.613 15.998 1.00 0.00 C ATOM 196 O TYR A 40 -3.377 -29.056 14.912 1.00 0.00 O ATOM 0 H TYR A 40 -5.209 -30.480 18.501 1.00 0.00 H new ATOM 198 N SER A 41 -2.752 -30.601 16.428 1.00 0.00 N ATOM 199 CA SER A 41 -1.635 -31.113 15.640 1.00 0.00 C ATOM 200 C SER A 41 -2.128 -31.657 14.309 1.00 0.00 C ATOM 201 O SER A 41 -1.493 -31.473 13.272 1.00 0.00 O ATOM 0 H SER A 41 -2.876 -31.067 17.327 1.00 0.00 H new ATOM 203 N MET A 42 -3.273 -32.332 14.353 1.00 0.00 N ATOM 204 CA MET A 42 -3.880 -32.917 13.160 1.00 0.00 C ATOM 205 C MET A 42 -4.362 -31.826 12.218 1.00 0.00 C ATOM 206 O MET A 42 -4.198 -31.916 11.003 1.00 0.00 O ATOM 0 H MET A 42 -3.804 -32.489 15.210 1.00 0.00 H new ATOM 208 N LEU A 43 -4.962 -30.790 12.798 1.00 0.00 N ATOM 209 CA LEU A 43 -5.482 -29.660 12.032 1.00 0.00 C ATOM 210 C LEU A 43 -4.344 -28.776 11.550 1.00 0.00 C ATOM 211 O LEU A 43 -4.405 -28.195 10.468 1.00 0.00 O ATOM 0 H LEU A 43 -5.101 -30.710 13.805 1.00 0.00 H new ATOM 213 N ARG A 44 -3.302 -28.682 12.371 1.00 0.00 N ATOM 214 CA ARG A 44 -2.129 -27.872 12.053 1.00 0.00 C ATOM 215 C ARG A 44 -1.223 -28.607 11.079 1.00 0.00 C ATOM 216 O ARG A 44 -0.428 -27.997 10.366 1.00 0.00 O ATOM 0 H ARG A 44 -3.246 -29.161 13.270 1.00 0.00 H new ATOM 218 N LYS A 45 -1.354 -29.930 11.058 1.00 0.00 N ATOM 219 CA LYS A 45 -0.557 -30.780 10.178 1.00 0.00 C ATOM 220 C LYS A 45 -1.396 -31.272 9.010 1.00 0.00 C ATOM 221 O LYS A 45 -0.894 -31.467 7.904 1.00 0.00 O ATOM 0 H LYS A 45 -2.012 -30.441 11.647 1.00 0.00 H new ATOM 223 N ALA A 46 -2.685 -31.470 9.271 1.00 0.00 N ATOM 224 CA ALA A 46 -3.623 -31.941 8.257 1.00 0.00 C ATOM 0 H ALA A 46 -3.107 -31.310 10.186 1.00 0.00 H new TER 226 ALA A 46