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 22.005 -32.259 103.579 1.00 0.00 C ATOM 2 C GLY A 1 23.464 -32.667 103.466 1.00 0.00 C ATOM 3 N VAL A 2 24.308 -32.008 104.256 1.00 0.00 N ATOM 4 CA VAL A 2 25.742 -32.282 104.267 1.00 0.00 C ATOM 5 C VAL A 2 26.004 -33.733 104.636 1.00 0.00 C ATOM 6 O VAL A 2 26.747 -34.438 103.955 1.00 0.00 O ATOM 0 H VAL A 2 24.019 -31.274 104.903 1.00 0.00 H new ATOM 8 N ILE A 3 25.381 -34.170 105.727 1.00 0.00 N ATOM 9 CA ILE A 3 25.529 -35.538 106.214 1.00 0.00 C ATOM 10 C ILE A 3 24.905 -36.521 105.236 1.00 0.00 C ATOM 11 O ILE A 3 25.343 -37.665 105.118 1.00 0.00 O ATOM 0 H ILE A 3 24.763 -33.590 106.295 1.00 0.00 H new ATOM 13 N ASP A 4 23.875 -36.059 104.535 1.00 0.00 N ATOM 14 CA ASP A 4 23.167 -36.878 103.555 1.00 0.00 C ATOM 15 C ASP A 4 24.138 -37.437 102.528 1.00 0.00 C ATOM 16 O ASP A 4 24.147 -38.635 102.247 1.00 0.00 O ATOM 0 H ASP A 4 23.508 -35.112 104.628 1.00 0.00 H new ATOM 18 N THR A 5 24.959 -36.551 101.971 1.00 0.00 N ATOM 19 CA THR A 5 25.950 -36.929 100.968 1.00 0.00 C ATOM 20 C THR A 5 25.884 -38.422 100.690 1.00 0.00 C ATOM 21 O THR A 5 25.870 -38.855 99.539 1.00 0.00 O ATOM 0 H THR A 5 24.957 -35.557 102.200 1.00 0.00 H new ATOM 23 N SER A 6 25.844 -39.205 101.764 1.00 0.00 N ATOM 24 CA SER A 6 25.779 -40.660 101.667 1.00 0.00 C ATOM 25 C SER A 6 24.534 -41.088 100.907 1.00 0.00 C ATOM 26 O SER A 6 24.613 -41.578 99.781 1.00 0.00 O ATOM 0 H SER A 6 25.856 -38.852 102.721 1.00 0.00 H new ATOM 28 N ALA A 7 23.380 -40.895 101.539 1.00 0.00 N ATOM 29 CA ALA A 7 22.096 -41.253 100.943 1.00 0.00 C ATOM 30 C ALA A 7 21.802 -40.370 99.742 1.00 0.00 C ATOM 31 O ALA A 7 21.133 -40.784 98.796 1.00 0.00 O ATOM 0 H ALA A 7 23.308 -40.489 102.472 1.00 0.00 H new ATOM 33 N VAL A 8 22.311 -39.142 99.792 1.00 0.00 N ATOM 34 CA VAL A 8 22.119 -38.173 98.717 1.00 0.00 C ATOM 35 C VAL A 8 22.666 -38.716 97.407 1.00 0.00 C ATOM 36 O VAL A 8 22.043 -38.584 96.354 1.00 0.00 O ATOM 0 H VAL A 8 22.865 -38.792 100.574 1.00 0.00 H new ATOM 38 N GLU A 9 23.843 -39.330 97.486 1.00 0.00 N ATOM 39 CA GLU A 9 24.503 -39.905 96.317 1.00 0.00 C ATOM 40 C GLU A 9 23.523 -40.743 95.511 1.00 0.00 C ATOM 41 O GLU A 9 23.453 -40.638 94.288 1.00 0.00 O ATOM 0 H GLU A 9 24.364 -39.443 98.356 1.00 0.00 H new ATOM 43 N SER A 10 22.765 -41.578 96.216 1.00 0.00 N ATOM 44 CA SER A 10 21.776 -42.450 95.591 1.00 0.00 C ATOM 45 C SER A 10 20.770 -41.632 94.798 1.00 0.00 C ATOM 46 O SER A 10 20.447 -41.954 93.656 1.00 0.00 O ATOM 0 H SER A 10 22.818 -41.669 97.231 1.00 0.00 H new ATOM 48 N ALA A 11 20.279 -40.564 95.421 1.00 0.00 N ATOM 49 CA ALA A 11 19.304 -39.676 94.795 1.00 0.00 C ATOM 50 C ALA A 11 19.918 -38.970 93.597 1.00 0.00 C ATOM 51 O ALA A 11 19.249 -38.713 92.598 1.00 0.00 O ATOM 0 H ALA A 11 20.544 -40.291 96.368 1.00 0.00 H new ATOM 53 N ILE A 12 21.207 -38.659 93.712 1.00 0.00 N ATOM 54 CA ILE A 12 21.943 -37.980 92.650 1.00 0.00 C ATOM 55 C ILE A 12 21.982 -38.838 91.396 1.00 0.00 C ATOM 56 O ILE A 12 21.829 -38.342 90.281 1.00 0.00 O ATOM 0 H ILE A 12 21.767 -38.869 94.538 1.00 0.00 H new ATOM 58 N THR A 13 22.188 -40.137 91.595 1.00 0.00 N ATOM 59 CA THR A 13 22.253 -41.093 90.494 1.00 0.00 C ATOM 60 C THR A 13 20.911 -41.179 89.784 1.00 0.00 C ATOM 61 O THR A 13 20.845 -41.337 88.566 1.00 0.00 O ATOM 0 H THR A 13 22.314 -40.554 92.517 1.00 0.00 H new ATOM 63 N ASP A 14 19.840 -41.072 90.565 1.00 0.00 N ATOM 64 CA ASP A 14 18.480 -41.134 90.037 1.00 0.00 C ATOM 65 C ASP A 14 18.076 -39.792 89.448 1.00 0.00 C ATOM 66 O ASP A 14 17.839 -39.669 88.247 1.00 0.00 O ATOM 0 H ASP A 14 19.889 -40.941 91.575 1.00 0.00 H new ATOM 68 N GLY A 15 18.001 -38.784 90.313 1.00 0.00 N ATOM 69 CA GLY A 15 17.627 -37.433 89.905 1.00 0.00 C ATOM 70 C GLY A 15 18.607 -36.897 88.874 1.00 0.00 C ATOM 71 O GLY A 15 18.264 -36.713 87.707 1.00 0.00 O ATOM 0 H GLY A 15 18.196 -38.879 91.310 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.619 -37.438 89.489 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.609 -36.776 90.775 1.00 0.00 H new ATOM 73 N GLN A 16 19.834 -36.650 89.321 1.00 0.00 N ATOM 74 CA GLN A 16 20.890 -36.133 88.456 1.00 0.00 C ATOM 75 C GLN A 16 21.240 -37.147 87.378 1.00 0.00 C ATOM 76 O GLN A 16 21.432 -36.798 86.215 1.00 0.00 O ATOM 0 H GLN A 16 20.124 -36.801 90.287 1.00 0.00 H new ATOM 78 N GLY A 17 21.321 -38.411 87.784 1.00 0.00 N ATOM 79 CA GLY A 17 21.647 -39.503 86.871 1.00 0.00 C ATOM 80 C GLY A 17 20.553 -39.672 85.830 1.00 0.00 C ATOM 81 O GLY A 17 20.823 -39.759 84.633 1.00 0.00 O ATOM 0 H GLY A 17 21.164 -38.706 88.748 1.00 0.00 H new ATOM 0 HA2 GLY A 17 22.598 -39.301 86.378 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.769 -40.429 87.432 1.00 0.00 H new ATOM 83 N ASP A 18 19.311 -39.716 86.303 1.00 0.00 N ATOM 84 CA ASP A 18 18.150 -39.874 85.432 1.00 0.00 C ATOM 85 C ASP A 18 17.959 -38.637 84.570 1.00 0.00 C ATOM 86 O ASP A 18 17.296 -38.679 83.535 1.00 0.00 O ATOM 0 H ASP A 18 19.081 -39.644 87.294 1.00 0.00 H new ATOM 88 N MET A 19 18.551 -37.532 85.012 1.00 0.00 N ATOM 89 CA MET A 19 18.464 -36.261 84.298 1.00 0.00 C ATOM 90 C MET A 19 19.148 -36.362 82.945 1.00 0.00 C ATOM 91 O MET A 19 18.612 -35.928 81.926 1.00 0.00 O ATOM 0 H MET A 19 19.102 -37.491 85.870 1.00 0.00 H new ATOM 93 N LYS A 20 20.345 -36.943 82.948 1.00 0.00 N ATOM 94 CA LYS A 20 21.131 -37.117 81.730 1.00 0.00 C ATOM 95 C LYS A 20 20.378 -37.977 80.728 1.00 0.00 C ATOM 96 O LYS A 20 20.398 -37.719 79.526 1.00 0.00 O ATOM 0 H LYS A 20 20.795 -37.304 83.789 1.00 0.00 H new ATOM 98 N ALA A 21 19.711 -39.007 81.242 1.00 0.00 N ATOM 99 CA ALA A 21 18.938 -39.928 80.413 1.00 0.00 C ATOM 100 C ALA A 21 17.796 -39.196 79.728 1.00 0.00 C ATOM 101 O ALA A 21 17.485 -39.449 78.565 1.00 0.00 O ATOM 0 H ALA A 21 19.691 -39.226 82.238 1.00 0.00 H new ATOM 103 N ILE A 22 17.173 -38.282 80.467 1.00 0.00 N ATOM 104 CA ILE A 22 16.056 -37.494 79.954 1.00 0.00 C ATOM 105 C ILE A 22 16.523 -36.570 78.841 1.00 0.00 C ATOM 106 O ILE A 22 15.847 -36.402 77.828 1.00 0.00 O ATOM 0 H ILE A 22 17.426 -38.068 81.432 1.00 0.00 H new ATOM 108 N GLY A 23 17.693 -35.970 79.045 1.00 0.00 N ATOM 109 CA GLY A 23 18.279 -35.054 78.071 1.00 0.00 C ATOM 110 C GLY A 23 18.591 -35.782 76.774 1.00 0.00 C ATOM 111 O GLY A 23 18.393 -35.251 75.683 1.00 0.00 O ATOM 0 H GLY A 23 18.258 -36.104 79.884 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.590 -34.232 77.876 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.191 -34.617 78.478 1.00 0.00 H new ATOM 113 N GLY A 24 19.082 -37.011 76.909 1.00 0.00 N ATOM 114 CA GLY A 24 19.432 -37.841 75.760 1.00 0.00 C ATOM 115 C GLY A 24 18.178 -38.315 75.044 1.00 0.00 C ATOM 116 O GLY A 24 18.056 -38.191 73.826 1.00 0.00 O ATOM 0 H GLY A 24 19.248 -37.457 77.811 1.00 0.00 H new ATOM 0 HA2 GLY A 24 20.059 -37.274 75.072 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.017 -38.700 76.089 1.00 0.00 H new ATOM 118 N TYR A 25 17.246 -38.862 75.819 1.00 0.00 N ATOM 119 CA TYR A 25 15.984 -39.367 75.284 1.00 0.00 C ATOM 120 C TYR A 25 15.231 -38.260 74.564 1.00 0.00 C ATOM 121 O TYR A 25 14.688 -38.462 73.479 1.00 0.00 O ATOM 0 H TYR A 25 17.342 -38.968 76.829 1.00 0.00 H new ATOM 123 N ILE A 26 15.206 -37.084 75.184 1.00 0.00 N ATOM 124 CA ILE A 26 14.524 -35.921 74.624 1.00 0.00 C ATOM 125 C ILE A 26 15.160 -35.516 73.304 1.00 0.00 C ATOM 126 O ILE A 26 14.470 -35.209 72.333 1.00 0.00 O ATOM 0 H ILE A 26 15.655 -36.910 76.083 1.00 0.00 H new ATOM 128 N VAL A 27 16.490 -35.519 73.282 1.00 0.00 N ATOM 129 CA VAL A 27 17.252 -35.154 72.091 1.00 0.00 C ATOM 130 C VAL A 27 16.981 -36.139 70.965 1.00 0.00 C ATOM 131 O VAL A 27 16.901 -35.762 69.796 1.00 0.00 O ATOM 0 H VAL A 27 17.067 -35.773 74.084 1.00 0.00 H new ATOM 133 N GLY A 28 16.842 -37.409 71.333 1.00 0.00 N ATOM 134 CA GLY A 28 16.579 -38.476 70.371 1.00 0.00 C ATOM 135 C GLY A 28 15.331 -38.166 69.561 1.00 0.00 C ATOM 136 O GLY A 28 15.309 -38.323 68.341 1.00 0.00 O ATOM 0 H GLY A 28 16.908 -37.727 72.300 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.433 -38.591 69.704 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.454 -39.424 70.895 1.00 0.00 H new ATOM 138 N ALA A 29 14.289 -37.722 70.258 1.00 0.00 N ATOM 139 CA ALA A 29 13.017 -37.380 69.627 1.00 0.00 C ATOM 140 C ALA A 29 13.174 -36.154 68.742 1.00 0.00 C ATOM 141 O ALA A 29 12.609 -36.079 67.653 1.00 0.00 O ATOM 0 H ALA A 29 14.301 -37.590 71.269 1.00 0.00 H new ATOM 143 N LEU A 30 13.953 -35.191 69.228 1.00 0.00 N ATOM 144 CA LEU A 30 14.206 -33.951 68.500 1.00 0.00 C ATOM 145 C LEU A 30 14.869 -34.243 67.164 1.00 0.00 C ATOM 146 O LEU A 30 14.553 -33.624 66.149 1.00 0.00 O ATOM 0 H LEU A 30 14.424 -35.247 70.131 1.00 0.00 H new ATOM 148 N VAL A 31 15.795 -35.197 67.179 1.00 0.00 N ATOM 149 CA VAL A 31 16.524 -35.595 65.978 1.00 0.00 C ATOM 150 C VAL A 31 15.575 -36.197 64.954 1.00 0.00 C ATOM 151 O VAL A 31 15.686 -35.943 63.756 1.00 0.00 O ATOM 0 H VAL A 31 16.060 -35.713 68.018 1.00 0.00 H new ATOM 153 N ILE A 32 14.636 -37.002 65.445 1.00 0.00 N ATOM 154 CA ILE A 32 13.648 -37.658 64.593 1.00 0.00 C ATOM 155 C ILE A 32 12.771 -36.626 63.903 1.00 0.00 C ATOM 156 O ILE A 32 12.473 -36.736 62.715 1.00 0.00 O ATOM 0 H ILE A 32 14.539 -37.217 66.437 1.00 0.00 H new ATOM 158 N LEU A 33 12.359 -35.619 64.668 1.00 0.00 N ATOM 159 CA LEU A 33 11.510 -34.547 64.156 1.00 0.00 C ATOM 160 C LEU A 33 12.237 -33.762 63.076 1.00 0.00 C ATOM 161 O LEU A 33 11.678 -33.460 62.023 1.00 0.00 O ATOM 0 H LEU A 33 12.602 -35.523 65.654 1.00 0.00 H new ATOM 163 N ALA A 34 13.497 -33.435 63.353 1.00 0.00 N ATOM 164 CA ALA A 34 14.330 -32.683 62.420 1.00 0.00 C ATOM 165 C ALA A 34 14.378 -33.377 61.069 1.00 0.00 C ATOM 166 O ALA A 34 14.521 -32.737 60.029 1.00 0.00 O ATOM 0 H ALA A 34 13.966 -33.682 64.224 1.00 0.00 H new ATOM 168 N VAL A 35 14.256 -34.701 61.099 1.00 0.00 N ATOM 169 CA VAL A 35 14.282 -35.515 59.887 1.00 0.00 C ATOM 170 C VAL A 35 13.178 -35.086 58.934 1.00 0.00 C ATOM 171 O VAL A 35 13.331 -35.146 57.715 1.00 0.00 O ATOM 0 H VAL A 35 14.137 -35.238 61.958 1.00 0.00 H new ATOM 173 N ALA A 36 12.060 -34.652 59.508 1.00 0.00 N ATOM 174 CA ALA A 36 10.907 -34.204 58.732 1.00 0.00 C ATOM 175 C ALA A 36 11.227 -32.909 58.003 1.00 0.00 C ATOM 176 O ALA A 36 10.841 -32.716 56.851 1.00 0.00 O ATOM 0 H ALA A 36 11.927 -34.601 60.518 1.00 0.00 H new ATOM 178 N GLY A 37 11.940 -32.023 58.692 1.00 0.00 N ATOM 179 CA GLY A 37 12.329 -30.731 58.134 1.00 0.00 C ATOM 180 C GLY A 37 13.050 -30.919 56.809 1.00 0.00 C ATOM 181 O GLY A 37 12.719 -30.284 55.809 1.00 0.00 O ATOM 0 H GLY A 37 12.263 -32.178 59.647 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.445 -30.110 57.989 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.976 -30.205 58.836 1.00 0.00 H new ATOM 183 N LEU A 38 14.042 -31.804 56.815 1.00 0.00 N ATOM 184 CA LEU A 38 14.832 -32.100 55.624 1.00 0.00 C ATOM 185 C LEU A 38 13.962 -32.736 54.552 1.00 0.00 C ATOM 186 O LEU A 38 14.017 -32.360 53.382 1.00 0.00 O ATOM 0 H LEU A 38 14.320 -32.334 57.641 1.00 0.00 H new ATOM 188 N ILE A 39 13.155 -33.707 54.969 1.00 0.00 N ATOM 189 CA ILE A 39 12.257 -34.418 54.064 1.00 0.00 C ATOM 190 C ILE A 39 11.354 -33.438 53.332 1.00 0.00 C ATOM 191 O ILE A 39 11.189 -33.512 52.115 1.00 0.00 O ATOM 0 H ILE A 39 13.105 -34.022 55.938 1.00 0.00 H new ATOM 193 N TYR A 40 10.771 -32.516 54.092 1.00 0.00 N ATOM 194 CA TYR A 40 9.876 -31.503 53.541 1.00 0.00 C ATOM 195 C TYR A 40 10.631 -30.581 52.598 1.00 0.00 C ATOM 196 O TYR A 40 10.155 -30.254 51.512 1.00 0.00 O ATOM 0 H TYR A 40 10.904 -32.450 55.101 1.00 0.00 H new ATOM 198 N SER A 41 11.819 -30.166 53.028 1.00 0.00 N ATOM 199 CA SER A 41 12.668 -29.278 52.240 1.00 0.00 C ATOM 200 C SER A 41 13.021 -29.921 50.909 1.00 0.00 C ATOM 201 O SER A 41 13.054 -29.260 49.872 1.00 0.00 O ATOM 0 H SER A 41 12.219 -30.434 53.927 1.00 0.00 H new ATOM 203 N MET A 42 13.285 -31.224 50.953 1.00 0.00 N ATOM 204 CA MET A 42 13.641 -31.988 49.760 1.00 0.00 C ATOM 205 C MET A 42 12.452 -32.088 48.818 1.00 0.00 C ATOM 206 O MET A 42 12.591 -31.962 47.603 1.00 0.00 O ATOM 0 H MET A 42 13.259 -31.777 51.810 1.00 0.00 H new ATOM 208 N LEU A 43 11.277 -32.318 49.398 1.00 0.00 N ATOM 209 CA LEU A 43 10.040 -32.441 48.632 1.00 0.00 C ATOM 210 C LEU A 43 9.575 -31.077 48.150 1.00 0.00 C ATOM 211 O LEU A 43 9.006 -30.945 47.068 1.00 0.00 O ATOM 0 H LEU A 43 11.156 -32.424 50.405 1.00 0.00 H new ATOM 213 N ARG A 44 9.825 -30.061 48.971 1.00 0.00 N ATOM 214 CA ARG A 44 9.442 -28.688 48.653 1.00 0.00 C ATOM 215 C ARG A 44 10.432 -28.071 47.679 1.00 0.00 C ATOM 216 O ARG A 44 10.115 -27.120 46.966 1.00 0.00 O ATOM 0 H ARG A 44 10.296 -30.164 49.870 1.00 0.00 H new ATOM 218 N LYS A 45 11.640 -28.626 47.658 1.00 0.00 N ATOM 219 CA LYS A 45 12.703 -28.150 46.778 1.00 0.00 C ATOM 220 C LYS A 45 12.895 -29.103 45.610 1.00 0.00 C ATOM 221 O LYS A 45 13.243 -28.692 44.504 1.00 0.00 O ATOM 0 H LYS A 45 11.909 -29.414 48.247 1.00 0.00 H new ATOM 223 N ALA A 46 12.663 -30.386 45.871 1.00 0.00 N ATOM 224 CA ALA A 46 12.802 -31.427 44.857 1.00 0.00 C ATOM 0 H ALA A 46 12.375 -30.732 46.786 1.00 0.00 H new