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 -9.015 -3.231 94.429 1.00 0.00 C ATOM 2 C GLY A 1 -10.281 -2.397 94.316 1.00 0.00 C ATOM 3 N VAL A 2 -11.285 -2.768 95.106 1.00 0.00 N ATOM 4 CA VAL A 2 -12.568 -2.070 95.117 1.00 0.00 C ATOM 5 C VAL A 2 -12.375 -0.608 95.486 1.00 0.00 C ATOM 6 O VAL A 2 -12.868 0.290 94.805 1.00 0.00 O ATOM 0 H VAL A 2 -11.234 -3.555 95.752 1.00 0.00 H new ATOM 8 N ILE A 3 -11.649 -0.382 96.577 1.00 0.00 N ATOM 9 CA ILE A 3 -11.372 0.966 97.064 1.00 0.00 C ATOM 10 C ILE A 3 -10.479 1.713 96.086 1.00 0.00 C ATOM 11 O ILE A 3 -10.547 2.935 95.968 1.00 0.00 O ATOM 0 H ILE A 3 -11.238 -1.123 97.145 1.00 0.00 H new ATOM 13 N ASP A 4 -9.638 0.958 95.385 1.00 0.00 N ATOM 14 CA ASP A 4 -8.715 1.523 94.405 1.00 0.00 C ATOM 15 C ASP A 4 -9.469 2.352 93.378 1.00 0.00 C ATOM 16 O ASP A 4 -9.113 3.495 93.097 1.00 0.00 O ATOM 0 H ASP A 4 -9.577 -0.056 95.479 1.00 0.00 H new ATOM 18 N THR A 5 -10.521 1.758 92.821 1.00 0.00 N ATOM 19 CA THR A 5 -11.350 2.420 91.818 1.00 0.00 C ATOM 20 C THR A 5 -10.832 3.822 91.540 1.00 0.00 C ATOM 21 O THR A 5 -10.686 4.230 90.389 1.00 0.00 O ATOM 0 H THR A 5 -10.821 0.811 93.050 1.00 0.00 H new ATOM 23 N SER A 6 -10.555 4.555 92.614 1.00 0.00 N ATOM 24 CA SER A 6 -10.049 5.921 92.517 1.00 0.00 C ATOM 25 C SER A 6 -8.734 5.949 91.757 1.00 0.00 C ATOM 26 O SER A 6 -8.660 6.440 90.631 1.00 0.00 O ATOM 0 H SER A 6 -10.674 4.222 93.571 1.00 0.00 H new ATOM 28 N ALA A 7 -7.693 5.414 92.389 1.00 0.00 N ATOM 29 CA ALA A 7 -6.361 5.363 91.793 1.00 0.00 C ATOM 30 C ALA A 7 -6.350 4.432 90.592 1.00 0.00 C ATOM 31 O ALA A 7 -5.587 4.624 89.646 1.00 0.00 O ATOM 0 H ALA A 7 -7.748 5.006 93.322 1.00 0.00 H new ATOM 33 N VAL A 8 -7.209 3.419 90.642 1.00 0.00 N ATOM 34 CA VAL A 8 -7.322 2.437 89.567 1.00 0.00 C ATOM 35 C VAL A 8 -7.677 3.121 88.257 1.00 0.00 C ATOM 36 O VAL A 8 -7.124 2.806 87.204 1.00 0.00 O ATOM 0 H VAL A 8 -7.843 3.255 91.424 1.00 0.00 H new ATOM 38 N GLU A 9 -8.611 4.064 88.336 1.00 0.00 N ATOM 39 CA GLU A 9 -9.064 4.813 87.167 1.00 0.00 C ATOM 40 C GLU A 9 -7.876 5.312 86.361 1.00 0.00 C ATOM 41 O GLU A 9 -7.841 5.191 85.138 1.00 0.00 O ATOM 0 H GLU A 9 -9.073 4.330 89.206 1.00 0.00 H new ATOM 43 N SER A 10 -6.900 5.877 87.066 1.00 0.00 N ATOM 44 CA SER A 10 -5.691 6.406 86.441 1.00 0.00 C ATOM 45 C SER A 10 -4.983 5.320 85.648 1.00 0.00 C ATOM 46 O SER A 10 -4.577 5.528 84.506 1.00 0.00 O ATOM 0 H SER A 10 -6.924 5.981 88.080 1.00 0.00 H new ATOM 48 N ALA A 11 -4.840 4.154 86.271 1.00 0.00 N ATOM 49 CA ALA A 11 -4.182 3.010 85.645 1.00 0.00 C ATOM 50 C ALA A 11 -4.983 2.525 84.447 1.00 0.00 C ATOM 51 O ALA A 11 -4.424 2.077 83.448 1.00 0.00 O ATOM 0 H ALA A 11 -5.174 3.975 87.218 1.00 0.00 H new ATOM 53 N ILE A 12 -6.304 2.622 84.562 1.00 0.00 N ATOM 54 CA ILE A 12 -7.213 2.199 83.500 1.00 0.00 C ATOM 55 C ILE A 12 -6.988 3.028 82.246 1.00 0.00 C ATOM 56 O ILE A 12 -6.994 2.509 81.131 1.00 0.00 O ATOM 0 H ILE A 12 -6.773 2.993 85.388 1.00 0.00 H new ATOM 58 N THR A 13 -6.789 4.328 82.445 1.00 0.00 N ATOM 59 CA THR A 13 -6.559 5.259 81.344 1.00 0.00 C ATOM 60 C THR A 13 -5.255 4.932 80.634 1.00 0.00 C ATOM 61 O THR A 13 -5.144 5.062 79.416 1.00 0.00 O ATOM 0 H THR A 13 -6.783 4.764 83.367 1.00 0.00 H new ATOM 63 N ASP A 14 -4.267 4.503 81.415 1.00 0.00 N ATOM 64 CA ASP A 14 -2.954 4.147 80.887 1.00 0.00 C ATOM 65 C ASP A 14 -2.978 2.746 80.298 1.00 0.00 C ATOM 66 O ASP A 14 -2.790 2.557 79.097 1.00 0.00 O ATOM 0 H ASP A 14 -4.353 4.393 82.425 1.00 0.00 H new ATOM 68 N GLY A 15 -3.214 1.764 81.163 1.00 0.00 N ATOM 69 CA GLY A 15 -3.269 0.363 80.755 1.00 0.00 C ATOM 70 C GLY A 15 -4.365 0.151 79.724 1.00 0.00 C ATOM 71 O GLY A 15 -4.095 -0.129 78.557 1.00 0.00 O ATOM 0 H GLY A 15 -3.372 1.914 82.159 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.308 0.061 80.339 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.453 -0.268 81.625 1.00 0.00 H new ATOM 73 N GLN A 16 -5.610 0.290 80.171 1.00 0.00 N ATOM 74 CA GLN A 16 -6.773 0.119 79.306 1.00 0.00 C ATOM 75 C GLN A 16 -6.798 1.192 78.228 1.00 0.00 C ATOM 76 O GLN A 16 -7.087 0.918 77.065 1.00 0.00 O ATOM 0 H GLN A 16 -5.840 0.523 81.137 1.00 0.00 H new ATOM 78 N GLY A 17 -6.489 2.420 78.634 1.00 0.00 N ATOM 79 CA GLY A 17 -6.467 3.560 77.721 1.00 0.00 C ATOM 80 C GLY A 17 -5.374 3.387 76.680 1.00 0.00 C ATOM 81 O GLY A 17 -5.604 3.552 75.483 1.00 0.00 O ATOM 0 H GLY A 17 -6.248 2.653 79.597 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.434 3.658 77.228 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.301 4.480 78.282 1.00 0.00 H new ATOM 83 N ASP A 18 -4.177 3.051 77.153 1.00 0.00 N ATOM 84 CA ASP A 18 -3.023 2.847 76.282 1.00 0.00 C ATOM 85 C ASP A 18 -3.218 1.611 75.420 1.00 0.00 C ATOM 86 O ASP A 18 -2.573 1.449 74.385 1.00 0.00 O ATOM 0 H ASP A 18 -3.980 2.913 78.144 1.00 0.00 H new ATOM 88 N MET A 19 -4.119 0.739 75.862 1.00 0.00 N ATOM 89 CA MET A 19 -4.423 -0.498 75.148 1.00 0.00 C ATOM 90 C MET A 19 -5.044 -0.193 73.795 1.00 0.00 C ATOM 91 O MET A 19 -4.666 -0.770 72.776 1.00 0.00 O ATOM 0 H MET A 19 -4.656 0.868 76.719 1.00 0.00 H new ATOM 93 N LYS A 20 -6.006 0.725 73.798 1.00 0.00 N ATOM 94 CA LYS A 20 -6.702 1.130 72.580 1.00 0.00 C ATOM 95 C LYS A 20 -5.723 1.720 71.578 1.00 0.00 C ATOM 96 O LYS A 20 -5.821 1.480 70.376 1.00 0.00 O ATOM 0 H LYS A 20 -6.324 1.207 74.639 1.00 0.00 H new ATOM 98 N ALA A 21 -4.774 2.497 72.092 1.00 0.00 N ATOM 99 CA ALA A 21 -3.757 3.138 71.263 1.00 0.00 C ATOM 100 C ALA A 21 -2.892 2.093 70.578 1.00 0.00 C ATOM 101 O ALA A 21 -2.519 2.240 69.415 1.00 0.00 O ATOM 0 H ALA A 21 -4.688 2.699 73.088 1.00 0.00 H new ATOM 103 N ILE A 22 -2.578 1.033 71.317 1.00 0.00 N ATOM 104 CA ILE A 22 -1.754 -0.058 70.804 1.00 0.00 C ATOM 105 C ILE A 22 -2.481 -0.796 69.691 1.00 0.00 C ATOM 106 O ILE A 22 -1.887 -1.161 68.678 1.00 0.00 O ATOM 0 H ILE A 22 -2.885 0.906 72.281 1.00 0.00 H new ATOM 108 N GLY A 23 -3.777 -1.010 69.895 1.00 0.00 N ATOM 109 CA GLY A 23 -4.615 -1.705 68.921 1.00 0.00 C ATOM 110 C GLY A 23 -4.690 -0.916 67.624 1.00 0.00 C ATOM 111 O GLY A 23 -4.664 -1.482 66.533 1.00 0.00 O ATOM 0 H GLY A 23 -4.274 -0.709 70.733 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.210 -2.698 68.727 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.617 -1.844 69.328 1.00 0.00 H new ATOM 113 N GLY A 24 -4.783 0.404 67.759 1.00 0.00 N ATOM 114 CA GLY A 24 -4.864 1.302 66.610 1.00 0.00 C ATOM 115 C GLY A 24 -3.525 1.371 65.894 1.00 0.00 C ATOM 116 O GLY A 24 -3.446 1.216 64.676 1.00 0.00 O ATOM 0 H GLY A 24 -4.804 0.879 68.661 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.634 0.953 65.922 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.159 2.298 66.939 1.00 0.00 H new ATOM 118 N TYR A 25 -2.470 1.608 66.669 1.00 0.00 N ATOM 119 CA TYR A 25 -1.115 1.704 66.134 1.00 0.00 C ATOM 120 C TYR A 25 -0.735 0.421 65.414 1.00 0.00 C ATOM 121 O TYR A 25 -0.156 0.448 64.329 1.00 0.00 O ATOM 0 H TYR A 25 -2.529 1.738 67.679 1.00 0.00 H new ATOM 123 N ILE A 26 -1.070 -0.707 66.034 1.00 0.00 N ATOM 124 CA ILE A 26 -0.775 -2.023 65.474 1.00 0.00 C ATOM 125 C ILE A 26 -1.504 -2.215 64.154 1.00 0.00 C ATOM 126 O ILE A 26 -0.940 -2.717 63.183 1.00 0.00 O ATOM 0 H ILE A 26 -1.551 -0.735 66.933 1.00 0.00 H new ATOM 128 N VAL A 27 -2.769 -1.807 64.132 1.00 0.00 N ATOM 129 CA VAL A 27 -3.606 -1.922 62.941 1.00 0.00 C ATOM 130 C VAL A 27 -3.048 -1.067 61.815 1.00 0.00 C ATOM 131 O VAL A 27 -3.086 -1.450 60.646 1.00 0.00 O ATOM 0 H VAL A 27 -3.241 -1.390 64.934 1.00 0.00 H new ATOM 133 N GLY A 28 -2.529 0.101 62.183 1.00 0.00 N ATOM 134 CA GLY A 28 -1.953 1.037 61.221 1.00 0.00 C ATOM 135 C GLY A 28 -0.859 0.361 60.411 1.00 0.00 C ATOM 136 O GLY A 28 -0.790 0.504 59.191 1.00 0.00 O ATOM 0 H GLY A 28 -2.495 0.424 63.150 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.732 1.407 60.554 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.545 1.901 61.745 1.00 0.00 H new ATOM 138 N ALA A 29 -0.001 -0.379 61.108 1.00 0.00 N ATOM 139 CA ALA A 29 1.106 -1.093 60.477 1.00 0.00 C ATOM 140 C ALA A 29 0.582 -2.212 59.592 1.00 0.00 C ATOM 141 O ALA A 29 1.098 -2.456 58.503 1.00 0.00 O ATOM 0 H ALA A 29 -0.052 -0.501 62.119 1.00 0.00 H new ATOM 143 N LEU A 30 -0.453 -2.892 60.078 1.00 0.00 N ATOM 144 CA LEU A 30 -1.072 -3.996 59.350 1.00 0.00 C ATOM 145 C LEU A 30 -1.614 -3.516 58.014 1.00 0.00 C ATOM 146 O LEU A 30 -1.502 -4.201 56.999 1.00 0.00 O ATOM 0 H LEU A 30 -0.884 -2.695 60.981 1.00 0.00 H new ATOM 148 N VAL A 31 -2.206 -2.325 58.029 1.00 0.00 N ATOM 149 CA VAL A 31 -2.778 -1.723 56.828 1.00 0.00 C ATOM 150 C VAL A 31 -1.691 -1.440 55.804 1.00 0.00 C ATOM 151 O VAL A 31 -1.875 -1.648 54.606 1.00 0.00 O ATOM 0 H VAL A 31 -2.303 -1.753 58.868 1.00 0.00 H new ATOM 153 N ILE A 32 -0.552 -0.959 56.295 1.00 0.00 N ATOM 154 CA ILE A 32 0.589 -0.635 55.443 1.00 0.00 C ATOM 155 C ILE A 32 1.111 -1.886 54.753 1.00 0.00 C ATOM 156 O ILE A 32 1.427 -1.872 53.565 1.00 0.00 O ATOM 0 H ILE A 32 -0.394 -0.784 57.287 1.00 0.00 H new ATOM 158 N LEU A 33 1.195 -2.970 55.518 1.00 0.00 N ATOM 159 CA LEU A 33 1.677 -4.250 55.006 1.00 0.00 C ATOM 160 C LEU A 33 0.745 -4.776 53.926 1.00 0.00 C ATOM 161 O LEU A 33 1.186 -5.234 52.873 1.00 0.00 O ATOM 0 H LEU A 33 0.933 -2.987 56.504 1.00 0.00 H new ATOM 163 N ALA A 34 -0.554 -4.703 54.203 1.00 0.00 N ATOM 164 CA ALA A 34 -1.577 -5.166 53.270 1.00 0.00 C ATOM 165 C ALA A 34 -1.411 -4.490 51.919 1.00 0.00 C ATOM 166 O ALA A 34 -1.742 -5.056 50.879 1.00 0.00 O ATOM 0 H ALA A 34 -0.925 -4.324 55.074 1.00 0.00 H new ATOM 168 N VAL A 35 -0.891 -3.266 51.949 1.00 0.00 N ATOM 169 CA VAL A 35 -0.668 -2.483 50.737 1.00 0.00 C ATOM 170 C VAL A 35 0.253 -3.228 49.784 1.00 0.00 C ATOM 171 O VAL A 35 0.126 -3.125 48.565 1.00 0.00 O ATOM 0 H VAL A 35 -0.614 -2.791 52.808 1.00 0.00 H new ATOM 173 N ALA A 36 1.186 -3.983 50.358 1.00 0.00 N ATOM 174 CA ALA A 36 2.147 -4.760 49.582 1.00 0.00 C ATOM 175 C ALA A 36 1.448 -5.896 48.853 1.00 0.00 C ATOM 176 O ALA A 36 1.756 -6.198 47.701 1.00 0.00 O ATOM 0 H ALA A 36 1.297 -4.073 51.368 1.00 0.00 H new ATOM 178 N GLY A 37 0.499 -6.523 49.542 1.00 0.00 N ATOM 179 CA GLY A 37 -0.265 -7.635 48.984 1.00 0.00 C ATOM 180 C GLY A 37 -0.894 -7.236 47.659 1.00 0.00 C ATOM 181 O GLY A 37 -0.773 -7.942 46.659 1.00 0.00 O ATOM 0 H GLY A 37 0.239 -6.277 50.497 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.388 -8.496 48.839 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.042 -7.939 49.686 1.00 0.00 H new ATOM 183 N LEU A 38 -1.570 -6.090 47.665 1.00 0.00 N ATOM 184 CA LEU A 38 -2.233 -5.568 46.474 1.00 0.00 C ATOM 185 C LEU A 38 -1.210 -5.228 45.402 1.00 0.00 C ATOM 186 O LEU A 38 -1.377 -5.569 44.232 1.00 0.00 O ATOM 0 H LEU A 38 -1.673 -5.500 48.491 1.00 0.00 H new ATOM 188 N ILE A 39 -0.146 -4.548 45.819 1.00 0.00 N ATOM 189 CA ILE A 39 0.927 -4.145 44.914 1.00 0.00 C ATOM 190 C ILE A 39 1.488 -5.353 44.182 1.00 0.00 C ATOM 191 O ILE A 39 1.668 -5.333 42.965 1.00 0.00 O ATOM 0 H ILE A 39 -0.003 -4.262 46.788 1.00 0.00 H new ATOM 193 N TYR A 40 1.762 -6.410 44.942 1.00 0.00 N ATOM 194 CA TYR A 40 2.306 -7.647 44.391 1.00 0.00 C ATOM 195 C TYR A 40 1.306 -8.295 43.448 1.00 0.00 C ATOM 196 O TYR A 40 1.659 -8.752 42.362 1.00 0.00 O ATOM 0 H TYR A 40 1.614 -6.433 45.951 1.00 0.00 H new ATOM 198 N SER A 41 0.048 -8.328 43.878 1.00 0.00 N ATOM 199 CA SER A 41 -1.031 -8.916 43.090 1.00 0.00 C ATOM 200 C SER A 41 -1.171 -8.196 41.759 1.00 0.00 C ATOM 201 O SER A 41 -1.404 -8.815 40.722 1.00 0.00 O ATOM 0 H SER A 41 -0.251 -7.950 44.777 1.00 0.00 H new ATOM 203 N MET A 42 -1.026 -6.874 41.803 1.00 0.00 N ATOM 204 CA MET A 42 -1.132 -6.038 40.610 1.00 0.00 C ATOM 205 C MET A 42 0.031 -6.305 39.668 1.00 0.00 C ATOM 206 O MET A 42 -0.140 -6.383 38.453 1.00 0.00 O ATOM 0 H MET A 42 -0.833 -6.355 42.660 1.00 0.00 H new ATOM 208 N LEU A 43 1.220 -6.444 40.248 1.00 0.00 N ATOM 209 CA LEU A 43 2.435 -6.704 39.482 1.00 0.00 C ATOM 210 C LEU A 43 2.463 -8.145 39.000 1.00 0.00 C ATOM 211 O LEU A 43 2.964 -8.444 37.918 1.00 0.00 O ATOM 0 H LEU A 43 1.368 -6.380 41.255 1.00 0.00 H new ATOM 213 N ARG A 44 1.915 -9.036 39.821 1.00 0.00 N ATOM 214 CA ARG A 44 1.861 -10.460 39.503 1.00 0.00 C ATOM 215 C ARG A 44 0.730 -10.746 38.529 1.00 0.00 C ATOM 216 O ARG A 44 0.743 -11.749 37.816 1.00 0.00 O ATOM 0 H ARG A 44 1.498 -8.794 40.720 1.00 0.00 H new ATOM 218 N LYS A 45 -0.251 -9.849 38.508 1.00 0.00 N ATOM 219 CA LYS A 45 -1.409 -9.979 37.628 1.00 0.00 C ATOM 220 C LYS A 45 -1.301 -9.013 36.460 1.00 0.00 C ATOM 221 O LYS A 45 -1.758 -9.298 35.354 1.00 0.00 O ATOM 0 H LYS A 45 -0.267 -9.016 39.096 1.00 0.00 H new ATOM 223 N ALA A 46 -0.688 -7.862 36.721 1.00 0.00 N ATOM 224 CA ALA A 46 -0.504 -6.828 35.707 1.00 0.00 C ATOM 0 H ALA A 46 -0.307 -7.620 37.636 1.00 0.00 H new TER 226 ALA A 46