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 -17.222 -21.595 30.379 1.00 0.00 C ATOM 2 C GLY A 1 -18.624 -22.174 30.266 1.00 0.00 C ATOM 3 N VAL A 2 -18.882 -23.212 31.056 1.00 0.00 N ATOM 4 CA VAL A 2 -20.180 -23.880 31.067 1.00 0.00 C ATOM 5 C VAL A 2 -21.280 -22.899 31.436 1.00 0.00 C ATOM 6 O VAL A 2 -22.300 -22.802 30.755 1.00 0.00 O ATOM 0 H VAL A 2 -18.202 -23.612 31.703 1.00 0.00 H new ATOM 8 N ILE A 3 -21.059 -22.171 32.527 1.00 0.00 N ATOM 9 CA ILE A 3 -22.019 -21.184 33.014 1.00 0.00 C ATOM 10 C ILE A 3 -22.134 -20.026 32.036 1.00 0.00 C ATOM 11 O ILE A 3 -23.183 -19.395 31.918 1.00 0.00 O ATOM 0 H ILE A 3 -20.215 -22.247 33.095 1.00 0.00 H new ATOM 13 N ASP A 4 -21.037 -19.755 31.335 1.00 0.00 N ATOM 14 CA ASP A 4 -20.985 -18.674 30.355 1.00 0.00 C ATOM 15 C ASP A 4 -22.094 -18.832 29.328 1.00 0.00 C ATOM 16 O ASP A 4 -22.839 -17.894 29.047 1.00 0.00 O ATOM 0 H ASP A 4 -20.164 -20.274 31.429 1.00 0.00 H new ATOM 18 N THR A 5 -22.194 -20.035 28.771 1.00 0.00 N ATOM 19 CA THR A 5 -23.208 -20.348 27.768 1.00 0.00 C ATOM 20 C THR A 5 -24.076 -19.132 27.490 1.00 0.00 C ATOM 21 O THR A 5 -24.332 -18.782 26.339 1.00 0.00 O ATOM 0 H THR A 5 -21.579 -20.816 29.000 1.00 0.00 H new ATOM 23 N SER A 6 -24.527 -18.491 28.564 1.00 0.00 N ATOM 24 CA SER A 6 -25.372 -17.304 28.467 1.00 0.00 C ATOM 25 C SER A 6 -24.655 -16.201 27.707 1.00 0.00 C ATOM 26 O SER A 6 -25.020 -15.863 26.581 1.00 0.00 O ATOM 0 H SER A 6 -24.319 -18.777 29.521 1.00 0.00 H new ATOM 28 N ALA A 7 -23.627 -15.641 28.339 1.00 0.00 N ATOM 29 CA ALA A 7 -22.836 -14.568 27.743 1.00 0.00 C ATOM 30 C ALA A 7 -22.061 -15.082 26.542 1.00 0.00 C ATOM 31 O ALA A 7 -21.790 -14.344 25.596 1.00 0.00 O ATOM 0 H ALA A 7 -23.320 -15.916 29.272 1.00 0.00 H new ATOM 33 N VAL A 8 -21.706 -16.363 26.592 1.00 0.00 N ATOM 34 CA VAL A 8 -20.957 -17.008 25.517 1.00 0.00 C ATOM 35 C VAL A 8 -21.722 -16.918 24.207 1.00 0.00 C ATOM 36 O VAL A 8 -21.151 -16.637 23.154 1.00 0.00 O ATOM 0 H VAL A 8 -21.928 -16.980 27.373 1.00 0.00 H new ATOM 38 N GLU A 9 -23.028 -17.160 24.286 1.00 0.00 N ATOM 39 CA GLU A 9 -23.902 -17.113 23.117 1.00 0.00 C ATOM 40 C GLU A 9 -23.646 -15.850 22.311 1.00 0.00 C ATOM 41 O GLU A 9 -23.526 -15.889 21.088 1.00 0.00 O ATOM 0 H GLU A 9 -23.508 -17.393 25.156 1.00 0.00 H new ATOM 43 N SER A 10 -23.564 -14.725 23.016 1.00 0.00 N ATOM 44 CA SER A 10 -23.322 -13.428 22.391 1.00 0.00 C ATOM 45 C SER A 10 -22.026 -13.453 21.598 1.00 0.00 C ATOM 46 O SER A 10 -21.970 -13.000 20.456 1.00 0.00 O ATOM 0 H SER A 10 -23.663 -14.686 24.030 1.00 0.00 H new ATOM 48 N ALA A 11 -20.981 -13.991 22.221 1.00 0.00 N ATOM 49 CA ALA A 11 -19.666 -14.090 21.595 1.00 0.00 C ATOM 50 C ALA A 11 -19.715 -15.024 20.397 1.00 0.00 C ATOM 51 O ALA A 11 -19.030 -14.814 19.398 1.00 0.00 O ATOM 0 H ALA A 11 -21.021 -14.368 23.168 1.00 0.00 H new ATOM 53 N ILE A 12 -20.538 -16.063 20.512 1.00 0.00 N ATOM 54 CA ILE A 12 -20.699 -17.052 19.450 1.00 0.00 C ATOM 55 C ILE A 12 -21.258 -16.400 18.196 1.00 0.00 C ATOM 56 O ILE A 12 -20.833 -16.697 17.081 1.00 0.00 O ATOM 0 H ILE A 12 -21.109 -16.243 21.338 1.00 0.00 H new ATOM 58 N THR A 13 -22.222 -15.504 18.395 1.00 0.00 N ATOM 59 CA THR A 13 -22.862 -14.790 17.294 1.00 0.00 C ATOM 60 C THR A 13 -21.858 -13.896 16.584 1.00 0.00 C ATOM 61 O THR A 13 -21.903 -13.731 15.366 1.00 0.00 O ATOM 0 H THR A 13 -22.579 -15.254 19.317 1.00 0.00 H new ATOM 63 N ASP A 14 -20.948 -13.321 17.365 1.00 0.00 N ATOM 64 CA ASP A 14 -19.915 -12.434 16.837 1.00 0.00 C ATOM 65 C ASP A 14 -18.771 -13.242 16.248 1.00 0.00 C ATOM 66 O ASP A 14 -18.508 -13.192 15.047 1.00 0.00 O ATOM 0 H ASP A 14 -20.905 -13.455 18.375 1.00 0.00 H new ATOM 68 N GLY A 15 -18.090 -13.990 17.113 1.00 0.00 N ATOM 69 CA GLY A 15 -16.963 -14.823 16.705 1.00 0.00 C ATOM 70 C GLY A 15 -17.404 -15.848 15.674 1.00 0.00 C ATOM 71 O GLY A 15 -17.021 -15.783 14.507 1.00 0.00 O ATOM 0 H GLY A 15 -18.302 -14.036 18.110 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.173 -14.198 16.290 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.545 -15.330 17.574 1.00 0.00 H new ATOM 73 N GLN A 16 -18.219 -16.800 16.121 1.00 0.00 N ATOM 74 CA GLN A 16 -18.732 -17.858 15.256 1.00 0.00 C ATOM 75 C GLN A 16 -19.632 -17.275 14.178 1.00 0.00 C ATOM 76 O GLN A 16 -19.569 -17.668 13.015 1.00 0.00 O ATOM 0 H GLN A 16 -18.541 -16.860 17.087 1.00 0.00 H new ATOM 78 N GLY A 17 -20.475 -16.329 14.584 1.00 0.00 N ATOM 79 CA GLY A 17 -21.405 -15.670 13.671 1.00 0.00 C ATOM 80 C GLY A 17 -20.647 -14.863 12.630 1.00 0.00 C ATOM 81 O GLY A 17 -20.913 -14.960 11.433 1.00 0.00 O ATOM 0 H GLY A 17 -20.533 -16.000 15.548 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.029 -16.415 13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.072 -15.016 14.232 1.00 0.00 H new ATOM 83 N ASP A 18 -19.696 -14.062 13.103 1.00 0.00 N ATOM 84 CA ASP A 18 -18.879 -13.222 12.232 1.00 0.00 C ATOM 85 C ASP A 18 -17.967 -14.079 11.370 1.00 0.00 C ATOM 86 O ASP A 18 -17.470 -13.637 10.335 1.00 0.00 O ATOM 0 H ASP A 18 -19.471 -13.977 14.094 1.00 0.00 H new ATOM 88 N MET A 19 -17.752 -15.315 11.812 1.00 0.00 N ATOM 89 CA MET A 19 -16.900 -16.261 11.098 1.00 0.00 C ATOM 90 C MET A 19 -17.501 -16.604 9.745 1.00 0.00 C ATOM 91 O MET A 19 -16.812 -16.615 8.726 1.00 0.00 O ATOM 0 H MET A 19 -18.160 -15.687 12.669 1.00 0.00 H new ATOM 93 N LYS A 20 -18.802 -16.883 9.748 1.00 0.00 N ATOM 94 CA LYS A 20 -19.528 -17.231 8.530 1.00 0.00 C ATOM 95 C LYS A 20 -19.465 -16.089 7.528 1.00 0.00 C ATOM 96 O LYS A 20 -19.322 -16.305 6.326 1.00 0.00 O ATOM 0 H LYS A 20 -19.379 -16.874 10.589 1.00 0.00 H new ATOM 98 N ALA A 21 -19.574 -14.867 8.042 1.00 0.00 N ATOM 99 CA ALA A 21 -19.533 -13.666 7.213 1.00 0.00 C ATOM 100 C ALA A 21 -18.182 -13.538 6.528 1.00 0.00 C ATOM 101 O ALA A 21 -18.094 -13.148 5.365 1.00 0.00 O ATOM 0 H ALA A 21 -19.692 -14.682 9.038 1.00 0.00 H new ATOM 103 N ILE A 22 -17.129 -13.874 7.267 1.00 0.00 N ATOM 104 CA ILE A 22 -15.763 -13.807 6.754 1.00 0.00 C ATOM 105 C ILE A 22 -15.562 -14.822 5.641 1.00 0.00 C ATOM 106 O ILE A 22 -14.926 -14.537 4.628 1.00 0.00 O ATOM 0 H ILE A 22 -17.196 -14.198 8.232 1.00 0.00 H new ATOM 108 N GLY A 23 -16.114 -16.015 5.845 1.00 0.00 N ATOM 109 CA GLY A 23 -16.011 -17.099 4.871 1.00 0.00 C ATOM 110 C GLY A 23 -16.705 -16.717 3.574 1.00 0.00 C ATOM 111 O GLY A 23 -16.222 -17.014 2.483 1.00 0.00 O ATOM 0 H GLY A 23 -16.642 -16.257 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.962 -17.323 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.460 -18.005 5.278 1.00 0.00 H new ATOM 113 N GLY A 24 -17.849 -16.052 3.709 1.00 0.00 N ATOM 114 CA GLY A 24 -18.636 -15.614 2.560 1.00 0.00 C ATOM 115 C GLY A 24 -17.941 -14.468 1.844 1.00 0.00 C ATOM 116 O GLY A 24 -17.768 -14.490 0.626 1.00 0.00 O ATOM 0 H GLY A 24 -18.254 -15.803 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.780 -16.447 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -19.626 -15.298 2.889 1.00 0.00 H new ATOM 118 N TYR A 25 -17.544 -13.463 2.619 1.00 0.00 N ATOM 119 CA TYR A 25 -16.861 -12.288 2.084 1.00 0.00 C ATOM 120 C TYR A 25 -15.586 -12.695 1.364 1.00 0.00 C ATOM 121 O TYR A 25 -15.282 -12.201 0.279 1.00 0.00 O ATOM 0 H TYR A 25 -17.685 -13.439 3.629 1.00 0.00 H new ATOM 123 N ILE A 26 -14.841 -13.606 1.984 1.00 0.00 N ATOM 124 CA ILE A 26 -13.588 -14.102 1.424 1.00 0.00 C ATOM 125 C ILE A 26 -13.839 -14.813 0.104 1.00 0.00 C ATOM 126 O ILE A 26 -13.107 -14.629 -0.867 1.00 0.00 O ATOM 0 H ILE A 26 -15.087 -14.019 2.884 1.00 0.00 H new ATOM 128 N VAL A 27 -14.888 -15.630 0.082 1.00 0.00 N ATOM 129 CA VAL A 27 -15.263 -16.386 -1.109 1.00 0.00 C ATOM 130 C VAL A 27 -15.657 -15.444 -2.235 1.00 0.00 C ATOM 131 O VAL A 27 -15.361 -15.691 -3.404 1.00 0.00 O ATOM 0 H VAL A 27 -15.499 -15.786 0.884 1.00 0.00 H new ATOM 133 N GLY A 28 -16.330 -14.358 -1.867 1.00 0.00 N ATOM 134 CA GLY A 28 -16.780 -13.356 -2.829 1.00 0.00 C ATOM 135 C GLY A 28 -15.606 -12.831 -3.639 1.00 0.00 C ATOM 136 O GLY A 28 -15.686 -12.694 -4.859 1.00 0.00 O ATOM 0 H GLY A 28 -16.578 -14.148 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.524 -13.792 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.265 -12.532 -2.305 1.00 0.00 H new ATOM 138 N ALA A 29 -14.512 -12.538 -2.942 1.00 0.00 N ATOM 139 CA ALA A 29 -13.300 -12.024 -3.573 1.00 0.00 C ATOM 140 C ALA A 29 -12.668 -13.086 -4.458 1.00 0.00 C ATOM 141 O ALA A 29 -12.176 -12.797 -5.547 1.00 0.00 O ATOM 0 H ALA A 29 -14.440 -12.649 -1.931 1.00 0.00 H new ATOM 143 N LEU A 30 -12.688 -14.325 -3.972 1.00 0.00 N ATOM 144 CA LEU A 30 -12.123 -15.457 -4.700 1.00 0.00 C ATOM 145 C LEU A 30 -12.825 -15.636 -6.036 1.00 0.00 C ATOM 146 O LEU A 30 -12.196 -15.928 -7.051 1.00 0.00 O ATOM 0 H LEU A 30 -13.093 -14.571 -3.069 1.00 0.00 H new ATOM 148 N VAL A 31 -14.143 -15.455 -6.021 1.00 0.00 N ATOM 149 CA VAL A 31 -14.962 -15.590 -7.222 1.00 0.00 C ATOM 150 C VAL A 31 -14.585 -14.531 -8.246 1.00 0.00 C ATOM 151 O VAL A 31 -14.516 -14.801 -9.444 1.00 0.00 O ATOM 0 H VAL A 31 -14.670 -15.212 -5.182 1.00 0.00 H new ATOM 153 N ILE A 32 -14.342 -13.319 -7.755 1.00 0.00 N ATOM 154 CA ILE A 32 -13.968 -12.194 -8.607 1.00 0.00 C ATOM 155 C ILE A 32 -12.641 -12.466 -9.297 1.00 0.00 C ATOM 156 O ILE A 32 -12.475 -12.196 -10.485 1.00 0.00 O ATOM 0 H ILE A 32 -14.398 -13.090 -6.763 1.00 0.00 H new ATOM 158 N LEU A 33 -11.696 -13.005 -8.532 1.00 0.00 N ATOM 159 CA LEU A 33 -10.367 -13.327 -9.044 1.00 0.00 C ATOM 160 C LEU A 33 -10.456 -14.393 -10.124 1.00 0.00 C ATOM 161 O LEU A 33 -9.829 -14.286 -11.177 1.00 0.00 O ATOM 0 H LEU A 33 -11.828 -13.230 -7.546 1.00 0.00 H new ATOM 163 N ALA A 34 -11.247 -15.426 -9.847 1.00 0.00 N ATOM 164 CA ALA A 34 -11.439 -16.533 -10.780 1.00 0.00 C ATOM 165 C ALA A 34 -11.905 -16.015 -12.131 1.00 0.00 C ATOM 166 O ALA A 34 -11.623 -16.608 -13.171 1.00 0.00 O ATOM 0 H ALA A 34 -11.770 -15.520 -8.976 1.00 0.00 H new ATOM 168 N VAL A 35 -12.625 -14.897 -12.101 1.00 0.00 N ATOM 169 CA VAL A 35 -13.147 -14.272 -13.313 1.00 0.00 C ATOM 170 C VAL A 35 -12.013 -13.930 -14.266 1.00 0.00 C ATOM 171 O VAL A 35 -12.170 -13.977 -15.485 1.00 0.00 O ATOM 0 H VAL A 35 -12.862 -14.401 -11.242 1.00 0.00 H new ATOM 173 N ALA A 36 -10.865 -13.583 -13.692 1.00 0.00 N ATOM 174 CA ALA A 36 -9.681 -13.225 -14.468 1.00 0.00 C ATOM 175 C ALA A 36 -9.135 -14.442 -15.197 1.00 0.00 C ATOM 176 O ALA A 36 -8.712 -14.356 -16.349 1.00 0.00 O ATOM 0 H ALA A 36 -10.729 -13.542 -12.682 1.00 0.00 H new ATOM 178 N GLY A 37 -9.150 -15.579 -14.508 1.00 0.00 N ATOM 179 CA GLY A 37 -8.660 -16.836 -15.066 1.00 0.00 C ATOM 180 C GLY A 37 -9.344 -17.132 -16.391 1.00 0.00 C ATOM 181 O GLY A 37 -8.693 -17.429 -17.391 1.00 0.00 O ATOM 0 H GLY A 37 -9.500 -15.656 -13.553 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.581 -16.780 -15.211 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.846 -17.649 -14.364 1.00 0.00 H new ATOM 183 N LEU A 38 -10.672 -17.047 -16.385 1.00 0.00 N ATOM 184 CA LEU A 38 -11.476 -17.301 -17.576 1.00 0.00 C ATOM 185 C LEU A 38 -11.182 -16.264 -18.648 1.00 0.00 C ATOM 186 O LEU A 38 -10.994 -16.594 -19.818 1.00 0.00 O ATOM 0 H LEU A 38 -11.218 -16.802 -15.559 1.00 0.00 H new ATOM 188 N ILE A 39 -11.146 -15.002 -18.231 1.00 0.00 N ATOM 189 CA ILE A 39 -10.876 -13.888 -19.136 1.00 0.00 C ATOM 190 C ILE A 39 -9.561 -14.104 -19.868 1.00 0.00 C ATOM 191 O ILE A 39 -9.477 -13.943 -21.085 1.00 0.00 O ATOM 0 H ILE A 39 -11.302 -14.723 -17.262 1.00 0.00 H new ATOM 193 N TYR A 40 -8.534 -14.471 -19.108 1.00 0.00 N ATOM 194 CA TYR A 40 -7.204 -14.717 -19.659 1.00 0.00 C ATOM 195 C TYR A 40 -7.231 -15.908 -20.602 1.00 0.00 C ATOM 196 O TYR A 40 -6.654 -15.873 -21.688 1.00 0.00 O ATOM 0 H TYR A 40 -8.598 -14.606 -18.099 1.00 0.00 H new ATOM 198 N SER A 41 -7.911 -16.967 -20.172 1.00 0.00 N ATOM 199 CA SER A 41 -8.032 -18.190 -20.960 1.00 0.00 C ATOM 200 C SER A 41 -8.706 -17.901 -22.291 1.00 0.00 C ATOM 201 O SER A 41 -8.325 -18.441 -23.328 1.00 0.00 O ATOM 0 H SER A 41 -8.391 -17.002 -19.273 1.00 0.00 H new ATOM 203 N MET A 42 -9.717 -17.038 -22.247 1.00 0.00 N ATOM 204 CA MET A 42 -10.468 -16.655 -23.440 1.00 0.00 C ATOM 205 C MET A 42 -9.594 -15.843 -24.382 1.00 0.00 C ATOM 206 O MET A 42 -9.626 -16.029 -25.597 1.00 0.00 O ATOM 0 H MET A 42 -10.038 -16.587 -21.390 1.00 0.00 H new ATOM 208 N LEU A 43 -8.810 -14.939 -23.802 1.00 0.00 N ATOM 209 CA LEU A 43 -7.912 -14.079 -24.568 1.00 0.00 C ATOM 210 C LEU A 43 -6.705 -14.867 -25.050 1.00 0.00 C ATOM 211 O LEU A 43 -6.175 -14.620 -26.132 1.00 0.00 O ATOM 0 H LEU A 43 -8.779 -14.782 -22.795 1.00 0.00 H new ATOM 213 N ARG A 44 -6.276 -15.822 -24.229 1.00 0.00 N ATOM 214 CA ARG A 44 -5.128 -16.666 -24.547 1.00 0.00 C ATOM 215 C ARG A 44 -5.528 -17.763 -25.521 1.00 0.00 C ATOM 216 O ARG A 44 -4.692 -18.316 -26.234 1.00 0.00 O ATOM 0 H ARG A 44 -6.711 -16.032 -23.331 1.00 0.00 H new ATOM 218 N LYS A 45 -6.822 -18.070 -25.542 1.00 0.00 N ATOM 219 CA LYS A 45 -7.365 -19.100 -26.422 1.00 0.00 C ATOM 220 C LYS A 45 -8.103 -18.468 -27.590 1.00 0.00 C ATOM 221 O LYS A 45 -8.124 -19.006 -28.696 1.00 0.00 O ATOM 0 H LYS A 45 -7.520 -17.615 -24.953 1.00 0.00 H new ATOM 223 N ALA A 46 -8.711 -17.314 -27.329 1.00 0.00 N ATOM 224 CA ALA A 46 -9.462 -16.580 -28.343 1.00 0.00 C ATOM 0 H ALA A 46 -8.697 -16.863 -26.414 1.00 0.00 H new TER 226 ALA A 46