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 11.682 -40.332 85.279 1.00 0.00 C ATOM 2 C GLY A 1 12.633 -41.512 85.166 1.00 0.00 C ATOM 3 N VAL A 2 13.703 -41.465 85.956 1.00 0.00 N ATOM 4 CA VAL A 2 14.711 -42.520 85.967 1.00 0.00 C ATOM 5 C VAL A 2 14.082 -43.854 86.336 1.00 0.00 C ATOM 6 O VAL A 2 14.278 -44.860 85.655 1.00 0.00 O ATOM 0 H VAL A 2 13.894 -40.699 86.602 1.00 0.00 H new ATOM 8 N ILE A 3 13.321 -43.848 87.427 1.00 0.00 N ATOM 9 CA ILE A 3 12.647 -45.048 87.914 1.00 0.00 C ATOM 10 C ILE A 3 11.569 -45.487 86.936 1.00 0.00 C ATOM 11 O ILE A 3 11.261 -46.672 86.818 1.00 0.00 O ATOM 0 H ILE A 3 13.155 -43.017 87.995 1.00 0.00 H new ATOM 13 N ASP A 4 10.998 -44.512 86.235 1.00 0.00 N ATOM 14 CA ASP A 4 9.946 -44.768 85.255 1.00 0.00 C ATOM 15 C ASP A 4 10.413 -45.787 84.228 1.00 0.00 C ATOM 16 O ASP A 4 9.724 -46.767 83.947 1.00 0.00 O ATOM 0 H ASP A 4 11.249 -43.528 86.329 1.00 0.00 H new ATOM 18 N THR A 5 11.595 -45.542 83.671 1.00 0.00 N ATOM 19 CA THR A 5 12.183 -46.425 82.668 1.00 0.00 C ATOM 20 C THR A 5 11.262 -47.603 82.390 1.00 0.00 C ATOM 21 O THR A 5 10.999 -47.947 81.239 1.00 0.00 O ATOM 0 H THR A 5 12.170 -44.731 83.900 1.00 0.00 H new ATOM 23 N SER A 6 10.775 -48.217 83.464 1.00 0.00 N ATOM 24 CA SER A 6 9.877 -49.364 83.367 1.00 0.00 C ATOM 25 C SER A 6 8.615 -48.990 82.607 1.00 0.00 C ATOM 26 O SER A 6 8.395 -49.435 81.481 1.00 0.00 O ATOM 0 H SER A 6 10.990 -47.936 84.421 1.00 0.00 H new ATOM 28 N ALA A 7 7.788 -48.162 83.239 1.00 0.00 N ATOM 29 CA ALA A 7 6.534 -47.708 82.643 1.00 0.00 C ATOM 30 C ALA A 7 6.807 -46.818 81.442 1.00 0.00 C ATOM 31 O ALA A 7 6.023 -46.768 80.496 1.00 0.00 O ATOM 0 H ALA A 7 7.966 -47.789 84.172 1.00 0.00 H new ATOM 33 N VAL A 8 7.935 -46.115 81.492 1.00 0.00 N ATOM 34 CA VAL A 8 8.341 -45.214 80.417 1.00 0.00 C ATOM 35 C VAL A 8 8.471 -45.973 79.107 1.00 0.00 C ATOM 36 O VAL A 8 8.041 -45.505 78.054 1.00 0.00 O ATOM 0 H VAL A 8 8.590 -46.153 82.273 1.00 0.00 H new ATOM 38 N GLU A 9 9.074 -47.157 79.186 1.00 0.00 N ATOM 39 CA GLU A 9 9.276 -48.008 78.017 1.00 0.00 C ATOM 40 C GLU A 9 7.993 -48.121 77.211 1.00 0.00 C ATOM 41 O GLU A 9 7.996 -47.995 75.988 1.00 0.00 O ATOM 0 H GLU A 9 9.434 -47.551 80.055 1.00 0.00 H new ATOM 43 N SER A 10 6.891 -48.361 77.916 1.00 0.00 N ATOM 44 CA SER A 10 5.579 -48.497 77.291 1.00 0.00 C ATOM 45 C SER A 10 5.235 -47.247 76.498 1.00 0.00 C ATOM 46 O SER A 10 4.785 -47.322 75.356 1.00 0.00 O ATOM 0 H SER A 10 6.882 -48.466 78.931 1.00 0.00 H new ATOM 48 N ALA A 11 5.454 -46.093 77.121 1.00 0.00 N ATOM 49 CA ALA A 11 5.176 -44.803 76.495 1.00 0.00 C ATOM 50 C ALA A 11 6.087 -44.585 75.297 1.00 0.00 C ATOM 51 O ALA A 11 5.691 -43.988 74.298 1.00 0.00 O ATOM 0 H ALA A 11 5.827 -46.025 78.068 1.00 0.00 H new ATOM 53 N ILE A 12 7.316 -45.080 75.412 1.00 0.00 N ATOM 54 CA ILE A 12 8.310 -44.954 74.350 1.00 0.00 C ATOM 55 C ILE A 12 7.843 -45.675 73.096 1.00 0.00 C ATOM 56 O ILE A 12 8.007 -45.183 71.981 1.00 0.00 O ATOM 0 H ILE A 12 7.650 -45.577 76.238 1.00 0.00 H new ATOM 58 N THR A 13 7.258 -46.853 73.295 1.00 0.00 N ATOM 59 CA THR A 13 6.754 -47.669 72.194 1.00 0.00 C ATOM 60 C THR A 13 5.613 -46.960 71.484 1.00 0.00 C ATOM 61 O THR A 13 5.467 -47.051 70.266 1.00 0.00 O ATOM 0 H THR A 13 7.120 -47.267 74.217 1.00 0.00 H new ATOM 63 N ASP A 14 4.803 -46.251 72.265 1.00 0.00 N ATOM 64 CA ASP A 14 3.660 -45.512 71.737 1.00 0.00 C ATOM 65 C ASP A 14 4.110 -44.185 71.148 1.00 0.00 C ATOM 66 O ASP A 14 3.988 -43.947 69.947 1.00 0.00 O ATOM 0 H ASP A 14 4.919 -46.172 73.275 1.00 0.00 H new ATOM 68 N GLY A 15 4.634 -43.321 72.013 1.00 0.00 N ATOM 69 CA GLY A 15 5.114 -42.003 71.605 1.00 0.00 C ATOM 70 C GLY A 15 6.222 -42.136 70.574 1.00 0.00 C ATOM 71 O GLY A 15 6.050 -41.786 69.407 1.00 0.00 O ATOM 0 H GLY A 15 4.738 -43.512 73.010 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.291 -41.422 71.190 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.482 -41.458 72.474 1.00 0.00 H new ATOM 73 N GLN A 16 7.365 -42.647 71.021 1.00 0.00 N ATOM 74 CA GLN A 16 8.525 -42.839 70.156 1.00 0.00 C ATOM 75 C GLN A 16 8.222 -43.868 69.078 1.00 0.00 C ATOM 76 O GLN A 16 8.580 -43.695 67.915 1.00 0.00 O ATOM 0 H GLN A 16 7.513 -42.938 71.987 1.00 0.00 H new ATOM 78 N GLY A 17 7.553 -44.944 69.484 1.00 0.00 N ATOM 79 CA GLY A 17 7.185 -46.023 68.571 1.00 0.00 C ATOM 80 C GLY A 17 6.196 -45.525 67.530 1.00 0.00 C ATOM 81 O GLY A 17 6.365 -45.752 66.333 1.00 0.00 O ATOM 0 H GLY A 17 7.253 -45.092 70.447 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.077 -46.410 68.078 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.747 -46.849 69.132 1.00 0.00 H new ATOM 83 N ASP A 18 5.159 -44.840 68.003 1.00 0.00 N ATOM 84 CA ASP A 18 4.122 -44.295 67.132 1.00 0.00 C ATOM 85 C ASP A 18 4.684 -43.177 66.270 1.00 0.00 C ATOM 86 O ASP A 18 4.120 -42.826 65.235 1.00 0.00 O ATOM 0 H ASP A 18 5.014 -44.648 68.994 1.00 0.00 H new ATOM 88 N MET A 19 5.809 -42.620 66.712 1.00 0.00 N ATOM 89 CA MET A 19 6.475 -41.535 65.998 1.00 0.00 C ATOM 90 C MET A 19 6.974 -42.015 64.645 1.00 0.00 C ATOM 91 O MET A 19 6.789 -41.350 63.626 1.00 0.00 O ATOM 0 H MET A 19 6.282 -42.906 67.569 1.00 0.00 H new ATOM 93 N LYS A 20 7.610 -43.183 64.648 1.00 0.00 N ATOM 94 CA LYS A 20 8.150 -43.780 63.430 1.00 0.00 C ATOM 95 C LYS A 20 7.037 -44.044 62.428 1.00 0.00 C ATOM 96 O LYS A 20 7.204 -43.846 61.226 1.00 0.00 O ATOM 0 H LYS A 20 7.765 -43.739 65.489 1.00 0.00 H new ATOM 98 N ALA A 21 5.896 -44.495 62.942 1.00 0.00 N ATOM 99 CA ALA A 21 4.733 -44.796 62.113 1.00 0.00 C ATOM 100 C ALA A 21 4.227 -43.537 61.428 1.00 0.00 C ATOM 101 O ALA A 21 3.827 -43.562 60.265 1.00 0.00 O ATOM 0 H ALA A 21 5.752 -44.661 63.938 1.00 0.00 H new ATOM 103 N ILE A 22 4.251 -42.431 62.167 1.00 0.00 N ATOM 104 CA ILE A 22 3.799 -41.141 61.654 1.00 0.00 C ATOM 105 C ILE A 22 4.716 -40.660 60.541 1.00 0.00 C ATOM 106 O ILE A 22 4.262 -40.131 59.528 1.00 0.00 O ATOM 0 H ILE A 22 4.582 -42.403 63.131 1.00 0.00 H new ATOM 108 N GLY A 23 6.016 -40.851 60.745 1.00 0.00 N ATOM 109 CA GLY A 23 7.026 -40.445 59.771 1.00 0.00 C ATOM 110 C GLY A 23 6.857 -41.219 58.474 1.00 0.00 C ATOM 111 O GLY A 23 7.004 -40.671 57.383 1.00 0.00 O ATOM 0 H GLY A 23 6.398 -41.288 61.584 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.943 -39.376 59.577 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.022 -40.619 60.178 1.00 0.00 H new ATOM 113 N GLY A 24 6.543 -42.504 58.609 1.00 0.00 N ATOM 114 CA GLY A 24 6.346 -43.384 57.460 1.00 0.00 C ATOM 115 C GLY A 24 5.050 -43.042 56.744 1.00 0.00 C ATOM 116 O GLY A 24 5.022 -42.870 55.526 1.00 0.00 O ATOM 0 H GLY A 24 6.418 -42.963 59.511 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.185 -43.286 56.772 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.323 -44.423 57.790 1.00 0.00 H new ATOM 118 N TYR A 25 3.973 -42.946 57.519 1.00 0.00 N ATOM 119 CA TYR A 25 2.653 -42.624 56.984 1.00 0.00 C ATOM 120 C TYR A 25 2.682 -41.286 56.264 1.00 0.00 C ATOM 121 O TYR A 25 2.122 -41.135 55.179 1.00 0.00 O ATOM 0 H TYR A 25 3.990 -43.088 58.529 1.00 0.00 H new ATOM 123 N ILE A 26 3.345 -40.314 56.884 1.00 0.00 N ATOM 124 CA ILE A 26 3.465 -38.971 56.324 1.00 0.00 C ATOM 125 C ILE A 26 4.218 -39.010 55.004 1.00 0.00 C ATOM 126 O ILE A 26 3.834 -38.360 54.033 1.00 0.00 O ATOM 0 H ILE A 26 3.812 -40.433 57.783 1.00 0.00 H new ATOM 128 N VAL A 27 5.299 -39.785 54.982 1.00 0.00 N ATOM 129 CA VAL A 27 6.130 -39.930 53.791 1.00 0.00 C ATOM 130 C VAL A 27 5.339 -40.575 52.665 1.00 0.00 C ATOM 131 O VAL A 27 5.492 -40.221 51.496 1.00 0.00 O ATOM 0 H VAL A 27 5.622 -40.327 55.784 1.00 0.00 H new ATOM 133 N GLY A 28 4.488 -41.528 53.033 1.00 0.00 N ATOM 134 CA GLY A 28 3.655 -42.244 52.071 1.00 0.00 C ATOM 135 C GLY A 28 2.818 -41.267 51.261 1.00 0.00 C ATOM 136 O GLY A 28 2.709 -41.382 50.041 1.00 0.00 O ATOM 0 H GLY A 28 4.356 -41.825 54.000 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.284 -42.833 51.404 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.003 -42.943 52.595 1.00 0.00 H new ATOM 138 N ALA A 29 2.227 -40.301 51.958 1.00 0.00 N ATOM 139 CA ALA A 29 1.391 -39.284 51.327 1.00 0.00 C ATOM 140 C ALA A 29 2.231 -38.377 50.442 1.00 0.00 C ATOM 141 O ALA A 29 1.814 -37.987 49.353 1.00 0.00 O ATOM 0 H ALA A 29 2.313 -40.201 52.969 1.00 0.00 H new ATOM 143 N LEU A 30 3.424 -38.045 50.928 1.00 0.00 N ATOM 144 CA LEU A 30 4.349 -37.182 50.200 1.00 0.00 C ATOM 145 C LEU A 30 4.720 -37.805 48.864 1.00 0.00 C ATOM 146 O LEU A 30 4.822 -37.118 47.849 1.00 0.00 O ATOM 0 H LEU A 30 3.775 -38.364 51.831 1.00 0.00 H new ATOM 148 N VAL A 31 4.920 -39.119 48.879 1.00 0.00 N ATOM 149 CA VAL A 31 5.282 -39.867 47.678 1.00 0.00 C ATOM 150 C VAL A 31 4.160 -39.806 46.654 1.00 0.00 C ATOM 151 O VAL A 31 4.398 -39.663 45.456 1.00 0.00 O ATOM 0 H VAL A 31 4.837 -39.693 49.718 1.00 0.00 H new ATOM 153 N ILE A 32 2.928 -39.916 47.145 1.00 0.00 N ATOM 154 CA ILE A 32 1.743 -39.877 46.293 1.00 0.00 C ATOM 155 C ILE A 32 1.628 -38.527 45.603 1.00 0.00 C ATOM 156 O ILE A 32 1.321 -38.444 44.415 1.00 0.00 O ATOM 0 H ILE A 32 2.724 -40.034 48.137 1.00 0.00 H new ATOM 158 N LEU A 33 1.877 -37.468 46.368 1.00 0.00 N ATOM 159 CA LEU A 33 1.809 -36.102 45.856 1.00 0.00 C ATOM 160 C LEU A 33 2.856 -35.886 44.776 1.00 0.00 C ATOM 161 O LEU A 33 2.576 -35.315 43.723 1.00 0.00 O ATOM 0 H LEU A 33 2.130 -37.531 47.354 1.00 0.00 H new ATOM 163 N ALA A 34 4.071 -36.351 45.053 1.00 0.00 N ATOM 164 CA ALA A 34 5.187 -36.221 44.120 1.00 0.00 C ATOM 165 C ALA A 34 4.823 -36.815 42.769 1.00 0.00 C ATOM 166 O ALA A 34 5.311 -36.377 41.729 1.00 0.00 O ATOM 0 H ALA A 34 4.309 -36.825 45.924 1.00 0.00 H new ATOM 168 N VAL A 35 3.955 -37.822 42.799 1.00 0.00 N ATOM 169 CA VAL A 35 3.503 -38.500 41.587 1.00 0.00 C ATOM 170 C VAL A 35 2.853 -37.510 40.634 1.00 0.00 C ATOM 171 O VAL A 35 2.943 -37.647 39.415 1.00 0.00 O ATOM 0 H VAL A 35 3.547 -38.190 43.658 1.00 0.00 H new ATOM 173 N ALA A 36 2.195 -36.507 41.208 1.00 0.00 N ATOM 174 CA ALA A 36 1.517 -35.473 40.432 1.00 0.00 C ATOM 175 C ALA A 36 2.529 -34.605 39.703 1.00 0.00 C ATOM 176 O ALA A 36 2.327 -34.223 38.551 1.00 0.00 O ATOM 0 H ALA A 36 2.117 -36.388 42.218 1.00 0.00 H new ATOM 178 N GLY A 37 3.624 -34.296 40.392 1.00 0.00 N ATOM 179 CA GLY A 37 4.690 -33.471 39.834 1.00 0.00 C ATOM 180 C GLY A 37 5.168 -34.043 38.509 1.00 0.00 C ATOM 181 O GLY A 37 5.268 -33.333 37.509 1.00 0.00 O ATOM 0 H GLY A 37 3.797 -34.609 41.347 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.331 -32.452 39.689 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.522 -33.419 40.536 1.00 0.00 H new ATOM 183 N LEU A 38 5.463 -35.339 38.515 1.00 0.00 N ATOM 184 CA LEU A 38 5.934 -36.039 37.324 1.00 0.00 C ATOM 185 C LEU A 38 4.856 -36.051 36.252 1.00 0.00 C ATOM 186 O LEU A 38 5.119 -35.777 35.082 1.00 0.00 O ATOM 0 H LEU A 38 5.383 -35.932 39.341 1.00 0.00 H new ATOM 188 N ILE A 39 3.635 -36.374 36.669 1.00 0.00 N ATOM 189 CA ILE A 39 2.492 -36.431 35.764 1.00 0.00 C ATOM 190 C ILE A 39 2.325 -35.109 35.032 1.00 0.00 C ATOM 191 O ILE A 39 2.148 -35.074 33.815 1.00 0.00 O ATOM 0 H ILE A 39 3.411 -36.602 37.638 1.00 0.00 H new ATOM 193 N TYR A 40 2.386 -34.020 35.792 1.00 0.00 N ATOM 194 CA TYR A 40 2.245 -32.675 35.241 1.00 0.00 C ATOM 195 C TYR A 40 3.395 -32.363 34.298 1.00 0.00 C ATOM 196 O TYR A 40 3.198 -31.820 33.212 1.00 0.00 O ATOM 0 H TYR A 40 2.534 -34.043 36.801 1.00 0.00 H new ATOM 198 N SER A 41 4.603 -32.715 34.728 1.00 0.00 N ATOM 199 CA SER A 41 5.810 -32.484 33.940 1.00 0.00 C ATOM 200 C SER A 41 5.724 -33.213 32.609 1.00 0.00 C ATOM 201 O SER A 41 6.134 -32.694 31.572 1.00 0.00 O ATOM 0 H SER A 41 4.773 -33.166 35.627 1.00 0.00 H new ATOM 203 N MET A 42 5.183 -34.427 32.653 1.00 0.00 N ATOM 204 CA MET A 42 5.029 -35.256 31.460 1.00 0.00 C ATOM 205 C MET A 42 4.003 -34.647 30.518 1.00 0.00 C ATOM 206 O MET A 42 4.189 -34.625 29.303 1.00 0.00 O ATOM 0 H MET A 42 4.841 -34.862 33.510 1.00 0.00 H new ATOM 208 N LEU A 43 2.913 -34.152 31.098 1.00 0.00 N ATOM 209 CA LEU A 43 1.834 -33.534 30.332 1.00 0.00 C ATOM 210 C LEU A 43 2.247 -32.153 29.850 1.00 0.00 C ATOM 211 O LEU A 43 1.861 -31.716 28.768 1.00 0.00 O ATOM 0 H LEU A 43 2.753 -34.167 32.105 1.00 0.00 H new ATOM 213 N ARG A 44 3.041 -31.472 30.671 1.00 0.00 N ATOM 214 CA ARG A 44 3.526 -30.131 30.353 1.00 0.00 C ATOM 215 C ARG A 44 4.690 -30.204 29.379 1.00 0.00 C ATOM 216 O ARG A 44 4.984 -29.245 28.666 1.00 0.00 O ATOM 0 H ARG A 44 3.365 -31.830 31.569 1.00 0.00 H new ATOM 218 N LYS A 45 5.352 -31.357 29.358 1.00 0.00 N ATOM 219 CA LYS A 45 6.494 -31.586 28.478 1.00 0.00 C ATOM 220 C LYS A 45 6.097 -32.474 27.310 1.00 0.00 C ATOM 221 O LYS A 45 6.619 -32.341 26.204 1.00 0.00 O ATOM 0 H LYS A 45 5.114 -32.155 29.947 1.00 0.00 H new ATOM 223 N ALA A 46 5.162 -33.384 27.571 1.00 0.00 N ATOM 224 CA ALA A 46 4.672 -34.312 26.557 1.00 0.00 C ATOM 0 H ALA A 46 4.725 -33.498 28.486 1.00 0.00 H new TER 226 ALA A 46