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 -3.220 -40.333 33.429 1.00 0.00 C ATOM 2 C GLY A 1 -3.264 -41.848 33.316 1.00 0.00 C ATOM 3 N VAL A 2 -2.421 -42.508 34.106 1.00 0.00 N ATOM 4 CA VAL A 2 -2.341 -43.966 34.117 1.00 0.00 C ATOM 5 C VAL A 2 -3.686 -44.570 34.486 1.00 0.00 C ATOM 6 O VAL A 2 -4.191 -45.461 33.805 1.00 0.00 O ATOM 0 H VAL A 2 -1.778 -42.051 34.753 1.00 0.00 H new ATOM 8 N ILE A 3 -4.260 -44.071 35.577 1.00 0.00 N ATOM 9 CA ILE A 3 -5.553 -44.544 36.064 1.00 0.00 C ATOM 10 C ILE A 3 -6.657 -44.176 35.086 1.00 0.00 C ATOM 11 O ILE A 3 -7.662 -44.877 34.968 1.00 0.00 O ATOM 0 H ILE A 3 -3.846 -43.332 36.145 1.00 0.00 H new ATOM 13 N ASP A 4 -6.457 -43.064 34.385 1.00 0.00 N ATOM 14 CA ASP A 4 -7.423 -42.576 33.405 1.00 0.00 C ATOM 15 C ASP A 4 -7.731 -43.653 32.378 1.00 0.00 C ATOM 16 O ASP A 4 -8.891 -43.950 32.097 1.00 0.00 O ATOM 0 H ASP A 4 -5.627 -42.479 34.479 1.00 0.00 H new ATOM 18 N THR A 5 -6.673 -44.236 31.821 1.00 0.00 N ATOM 19 CA THR A 5 -6.801 -45.289 30.818 1.00 0.00 C ATOM 20 C THR A 5 -8.266 -45.585 30.540 1.00 0.00 C ATOM 21 O THR A 5 -8.690 -45.676 29.389 1.00 0.00 O ATOM 0 H THR A 5 -5.709 -43.994 32.050 1.00 0.00 H new ATOM 23 N SER A 6 -9.036 -45.734 31.614 1.00 0.00 N ATOM 24 CA SER A 6 -10.464 -46.022 31.517 1.00 0.00 C ATOM 25 C SER A 6 -11.179 -44.918 30.757 1.00 0.00 C ATOM 26 O SER A 6 -11.635 -45.113 29.631 1.00 0.00 O ATOM 0 H SER A 6 -8.691 -45.659 32.571 1.00 0.00 H new ATOM 28 N ALA A 7 -11.270 -43.751 31.389 1.00 0.00 N ATOM 29 CA ALA A 7 -11.927 -42.591 30.793 1.00 0.00 C ATOM 30 C ALA A 7 -11.141 -42.092 29.592 1.00 0.00 C ATOM 31 O ALA A 7 -11.704 -41.544 28.646 1.00 0.00 O ATOM 0 H ALA A 7 -10.893 -43.583 32.322 1.00 0.00 H new ATOM 33 N VAL A 8 -9.827 -42.291 29.642 1.00 0.00 N ATOM 34 CA VAL A 8 -8.932 -41.871 28.567 1.00 0.00 C ATOM 35 C VAL A 8 -9.327 -42.532 27.257 1.00 0.00 C ATOM 36 O VAL A 8 -9.350 -41.896 26.204 1.00 0.00 O ATOM 0 H VAL A 8 -9.354 -42.745 30.424 1.00 0.00 H new ATOM 38 N GLU A 9 -9.639 -43.823 27.336 1.00 0.00 N ATOM 39 CA GLU A 9 -10.039 -44.602 26.167 1.00 0.00 C ATOM 40 C GLU A 9 -11.087 -43.853 25.361 1.00 0.00 C ATOM 41 O GLU A 9 -11.002 -43.759 24.138 1.00 0.00 O ATOM 0 H GLU A 9 -9.622 -44.356 28.206 1.00 0.00 H new ATOM 43 N SER A 10 -12.081 -43.319 26.066 1.00 0.00 N ATOM 44 CA SER A 10 -13.166 -42.569 25.441 1.00 0.00 C ATOM 45 C SER A 10 -12.614 -41.396 24.648 1.00 0.00 C ATOM 46 O SER A 10 -13.005 -41.160 23.506 1.00 0.00 O ATOM 0 H SER A 10 -12.157 -43.393 27.080 1.00 0.00 H new ATOM 48 N ALA A 11 -11.697 -40.661 25.271 1.00 0.00 N ATOM 49 CA ALA A 11 -11.070 -39.501 24.645 1.00 0.00 C ATOM 50 C ALA A 11 -10.236 -39.927 23.447 1.00 0.00 C ATOM 51 O ALA A 11 -10.149 -39.216 22.448 1.00 0.00 O ATOM 0 H ALA A 11 -11.369 -40.851 26.218 1.00 0.00 H new ATOM 53 N ILE A 12 -9.624 -41.102 23.562 1.00 0.00 N ATOM 54 CA ILE A 12 -8.787 -41.653 22.500 1.00 0.00 C ATOM 55 C ILE A 12 -9.611 -41.898 21.246 1.00 0.00 C ATOM 56 O ILE A 12 -9.166 -41.630 20.131 1.00 0.00 O ATOM 0 H ILE A 12 -9.693 -41.696 24.388 1.00 0.00 H new ATOM 58 N THR A 13 -10.821 -42.411 21.445 1.00 0.00 N ATOM 59 CA THR A 13 -11.734 -42.704 20.344 1.00 0.00 C ATOM 60 C THR A 13 -12.141 -41.423 19.634 1.00 0.00 C ATOM 61 O THR A 13 -12.310 -41.397 18.416 1.00 0.00 O ATOM 0 H THR A 13 -11.195 -42.634 22.367 1.00 0.00 H new ATOM 63 N ASP A 14 -12.295 -40.358 20.415 1.00 0.00 N ATOM 64 CA ASP A 14 -12.683 -39.053 19.887 1.00 0.00 C ATOM 65 C ASP A 14 -11.478 -38.338 19.298 1.00 0.00 C ATOM 66 O ASP A 14 -11.416 -38.078 18.097 1.00 0.00 O ATOM 0 H ASP A 14 -12.156 -40.374 21.425 1.00 0.00 H new ATOM 68 N GLY A 15 -10.518 -38.022 20.163 1.00 0.00 N ATOM 69 CA GLY A 15 -9.297 -37.333 19.755 1.00 0.00 C ATOM 70 C GLY A 15 -8.541 -38.154 18.724 1.00 0.00 C ATOM 71 O GLY A 15 -8.445 -37.777 17.557 1.00 0.00 O ATOM 0 H GLY A 15 -10.563 -38.234 21.160 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.545 -36.356 19.340 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.663 -37.158 20.625 1.00 0.00 H new ATOM 73 N GLN A 16 -8.005 -39.286 19.171 1.00 0.00 N ATOM 74 CA GLN A 16 -7.249 -40.186 18.306 1.00 0.00 C ATOM 75 C GLN A 16 -8.148 -40.770 17.228 1.00 0.00 C ATOM 76 O GLN A 16 -7.763 -40.872 16.065 1.00 0.00 O ATOM 0 H GLN A 16 -8.082 -39.604 20.137 1.00 0.00 H new ATOM 78 N GLY A 17 -9.356 -41.153 17.634 1.00 0.00 N ATOM 79 CA GLY A 17 -10.337 -41.733 16.721 1.00 0.00 C ATOM 80 C GLY A 17 -10.764 -40.712 15.680 1.00 0.00 C ATOM 81 O GLY A 17 -10.784 -40.995 14.483 1.00 0.00 O ATOM 0 H GLY A 17 -9.681 -41.071 18.597 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.912 -42.607 16.228 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.207 -42.075 17.282 1.00 0.00 H new ATOM 83 N ASP A 18 -11.107 -39.518 16.153 1.00 0.00 N ATOM 84 CA ASP A 18 -11.540 -38.429 15.282 1.00 0.00 C ATOM 85 C ASP A 18 -10.386 -37.945 14.420 1.00 0.00 C ATOM 86 O ASP A 18 -10.587 -37.312 13.385 1.00 0.00 O ATOM 0 H ASP A 18 -11.093 -39.278 17.144 1.00 0.00 H new ATOM 88 N MET A 19 -9.170 -38.254 14.862 1.00 0.00 N ATOM 89 CA MET A 19 -7.958 -37.862 14.148 1.00 0.00 C ATOM 90 C MET A 19 -7.891 -38.551 12.795 1.00 0.00 C ATOM 91 O MET A 19 -7.599 -37.926 11.776 1.00 0.00 O ATOM 0 H MET A 19 -8.997 -38.779 15.719 1.00 0.00 H new ATOM 93 N LYS A 20 -8.167 -39.852 12.798 1.00 0.00 N ATOM 94 CA LYS A 20 -8.146 -40.657 11.580 1.00 0.00 C ATOM 95 C LYS A 20 -9.162 -40.134 10.578 1.00 0.00 C ATOM 96 O LYS A 20 -8.907 -40.091 9.376 1.00 0.00 O ATOM 0 H LYS A 20 -8.410 -40.376 13.639 1.00 0.00 H new ATOM 98 N ALA A 21 -10.322 -39.734 11.092 1.00 0.00 N ATOM 99 CA ALA A 21 -11.402 -39.207 10.263 1.00 0.00 C ATOM 100 C ALA A 21 -10.967 -37.922 9.578 1.00 0.00 C ATOM 101 O ALA A 21 -11.288 -37.681 8.415 1.00 0.00 O ATOM 0 H ALA A 21 -10.539 -39.766 12.088 1.00 0.00 H new ATOM 103 N ILE A 22 -10.231 -37.097 10.317 1.00 0.00 N ATOM 104 CA ILE A 22 -9.735 -35.823 9.804 1.00 0.00 C ATOM 105 C ILE A 22 -8.726 -36.053 8.691 1.00 0.00 C ATOM 106 O ILE A 22 -8.727 -35.356 7.678 1.00 0.00 O ATOM 0 H ILE A 22 -9.963 -37.290 11.282 1.00 0.00 H new ATOM 108 N GLY A 23 -7.862 -37.044 8.895 1.00 0.00 N ATOM 109 CA GLY A 23 -6.831 -37.392 7.921 1.00 0.00 C ATOM 110 C GLY A 23 -7.463 -37.870 6.624 1.00 0.00 C ATOM 111 O GLY A 23 -6.994 -37.550 5.533 1.00 0.00 O ATOM 0 H GLY A 23 -7.856 -37.625 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.199 -36.526 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.187 -38.172 8.327 1.00 0.00 H new ATOM 113 N GLY A 24 -8.537 -38.643 6.759 1.00 0.00 N ATOM 114 CA GLY A 24 -9.258 -39.183 5.610 1.00 0.00 C ATOM 115 C GLY A 24 -10.021 -38.080 4.894 1.00 0.00 C ATOM 116 O GLY A 24 -9.930 -37.931 3.676 1.00 0.00 O ATOM 0 H GLY A 24 -8.930 -38.911 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.556 -39.654 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.950 -39.958 5.939 1.00 0.00 H new ATOM 118 N TYR A 25 -10.776 -37.307 5.669 1.00 0.00 N ATOM 119 CA TYR A 25 -11.570 -36.205 5.134 1.00 0.00 C ATOM 120 C TYR A 25 -10.678 -35.207 4.414 1.00 0.00 C ATOM 121 O TYR A 25 -11.005 -34.728 3.329 1.00 0.00 O ATOM 0 H TYR A 25 -10.855 -37.425 6.679 1.00 0.00 H new ATOM 123 N ILE A 26 -9.542 -34.899 5.034 1.00 0.00 N ATOM 124 CA ILE A 26 -8.578 -33.957 4.474 1.00 0.00 C ATOM 125 C ILE A 26 -8.031 -34.476 3.154 1.00 0.00 C ATOM 126 O ILE A 26 -7.900 -33.733 2.183 1.00 0.00 O ATOM 0 H ILE A 26 -9.265 -35.293 5.933 1.00 0.00 H new ATOM 128 N VAL A 27 -7.714 -35.768 3.132 1.00 0.00 N ATOM 129 CA VAL A 27 -7.177 -36.419 1.941 1.00 0.00 C ATOM 130 C VAL A 27 -8.197 -36.394 0.815 1.00 0.00 C ATOM 131 O VAL A 27 -7.851 -36.225 -0.354 1.00 0.00 O ATOM 0 H VAL A 27 -7.821 -36.389 3.934 1.00 0.00 H new ATOM 133 N GLY A 28 -9.464 -36.565 1.183 1.00 0.00 N ATOM 134 CA GLY A 28 -10.562 -36.567 0.221 1.00 0.00 C ATOM 135 C GLY A 28 -10.562 -35.281 -0.589 1.00 0.00 C ATOM 136 O GLY A 28 -10.720 -35.298 -1.809 1.00 0.00 O ATOM 0 H GLY A 28 -9.757 -36.705 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.467 -37.424 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.512 -36.674 0.745 1.00 0.00 H new ATOM 138 N ALA A 29 -10.383 -34.163 0.108 1.00 0.00 N ATOM 139 CA ALA A 29 -10.358 -32.846 -0.523 1.00 0.00 C ATOM 140 C ALA A 29 -9.130 -32.703 -1.408 1.00 0.00 C ATOM 141 O ALA A 29 -9.193 -32.136 -2.497 1.00 0.00 O ATOM 0 H ALA A 29 -10.252 -34.143 1.119 1.00 0.00 H new ATOM 143 N LEU A 30 -8.008 -33.227 -0.922 1.00 0.00 N ATOM 144 CA LEU A 30 -6.743 -33.172 -1.650 1.00 0.00 C ATOM 145 C LEU A 30 -6.866 -33.887 -2.986 1.00 0.00 C ATOM 146 O LEU A 30 -6.342 -33.431 -4.001 1.00 0.00 O ATOM 0 H LEU A 30 -7.949 -33.698 -0.019 1.00 0.00 H new ATOM 148 N VAL A 31 -7.569 -35.016 -2.971 1.00 0.00 N ATOM 149 CA VAL A 31 -7.780 -35.819 -4.172 1.00 0.00 C ATOM 150 C VAL A 31 -8.593 -35.043 -5.196 1.00 0.00 C ATOM 151 O VAL A 31 -8.319 -35.090 -6.394 1.00 0.00 O ATOM 0 H VAL A 31 -8.006 -35.398 -2.132 1.00 0.00 H new ATOM 153 N ILE A 32 -9.600 -34.326 -4.705 1.00 0.00 N ATOM 154 CA ILE A 32 -10.475 -33.526 -5.557 1.00 0.00 C ATOM 155 C ILE A 32 -9.686 -32.425 -6.247 1.00 0.00 C ATOM 156 O ILE A 32 -9.864 -32.163 -7.435 1.00 0.00 O ATOM 0 H ILE A 32 -9.832 -34.283 -3.713 1.00 0.00 H new ATOM 158 N LEU A 33 -8.807 -31.783 -5.482 1.00 0.00 N ATOM 159 CA LEU A 33 -7.971 -30.701 -5.994 1.00 0.00 C ATOM 160 C LEU A 33 -7.034 -31.217 -7.074 1.00 0.00 C ATOM 161 O LEU A 33 -6.876 -30.601 -8.127 1.00 0.00 O ATOM 0 H LEU A 33 -8.655 -31.996 -4.496 1.00 0.00 H new ATOM 163 N ALA A 34 -6.414 -32.360 -6.797 1.00 0.00 N ATOM 164 CA ALA A 34 -5.482 -32.987 -7.730 1.00 0.00 C ATOM 165 C ALA A 34 -6.145 -33.202 -9.081 1.00 0.00 C ATOM 166 O ALA A 34 -5.489 -33.186 -10.121 1.00 0.00 O ATOM 0 H ALA A 34 -6.542 -32.875 -5.926 1.00 0.00 H new ATOM 168 N VAL A 35 -7.459 -33.403 -9.051 1.00 0.00 N ATOM 169 CA VAL A 35 -8.243 -33.624 -10.263 1.00 0.00 C ATOM 170 C VAL A 35 -8.093 -32.449 -11.216 1.00 0.00 C ATOM 171 O VAL A 35 -8.114 -32.612 -12.435 1.00 0.00 O ATOM 0 H VAL A 35 -8.008 -33.417 -8.192 1.00 0.00 H new ATOM 173 N ALA A 36 -7.941 -31.259 -10.642 1.00 0.00 N ATOM 174 CA ALA A 36 -7.784 -30.033 -11.418 1.00 0.00 C ATOM 175 C ALA A 36 -6.451 -30.031 -12.147 1.00 0.00 C ATOM 176 O ALA A 36 -6.356 -29.610 -13.299 1.00 0.00 O ATOM 0 H ALA A 36 -7.923 -31.118 -9.632 1.00 0.00 H new ATOM 178 N GLY A 37 -5.418 -30.508 -11.458 1.00 0.00 N ATOM 179 CA GLY A 37 -4.071 -30.575 -12.016 1.00 0.00 C ATOM 180 C GLY A 37 -4.080 -31.320 -13.341 1.00 0.00 C ATOM 181 O GLY A 37 -3.543 -30.846 -14.341 1.00 0.00 O ATOM 0 H GLY A 37 -5.490 -30.857 -10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.681 -29.568 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.405 -31.077 -11.314 1.00 0.00 H new ATOM 183 N LEU A 38 -4.699 -32.497 -13.335 1.00 0.00 N ATOM 184 CA LEU A 38 -4.795 -33.334 -14.526 1.00 0.00 C ATOM 185 C LEU A 38 -5.622 -32.643 -15.598 1.00 0.00 C ATOM 186 O LEU A 38 -5.245 -32.606 -16.768 1.00 0.00 O ATOM 0 H LEU A 38 -5.146 -32.895 -12.509 1.00 0.00 H new ATOM 188 N ILE A 39 -6.760 -32.095 -15.181 1.00 0.00 N ATOM 189 CA ILE A 39 -7.666 -31.394 -16.086 1.00 0.00 C ATOM 190 C ILE A 39 -6.933 -30.282 -16.818 1.00 0.00 C ATOM 191 O ILE A 39 -7.045 -30.139 -18.035 1.00 0.00 O ATOM 0 H ILE A 39 -7.079 -32.124 -14.213 1.00 0.00 H new ATOM 193 N TYR A 40 -6.179 -29.493 -16.058 1.00 0.00 N ATOM 194 CA TYR A 40 -5.412 -28.380 -16.609 1.00 0.00 C ATOM 195 C TYR A 40 -4.335 -28.891 -17.552 1.00 0.00 C ATOM 196 O TYR A 40 -4.132 -28.350 -18.638 1.00 0.00 O ATOM 0 H TYR A 40 -6.083 -29.606 -15.049 1.00 0.00 H new ATOM 198 N SER A 41 -3.646 -29.944 -17.122 1.00 0.00 N ATOM 199 CA SER A 41 -2.579 -30.553 -17.910 1.00 0.00 C ATOM 200 C SER A 41 -3.118 -31.051 -19.241 1.00 0.00 C ATOM 201 O SER A 41 -2.469 -30.923 -20.278 1.00 0.00 O ATOM 0 H SER A 41 -3.810 -30.397 -16.223 1.00 0.00 H new ATOM 203 N MET A 42 -4.318 -31.622 -19.197 1.00 0.00 N ATOM 204 CA MET A 42 -4.974 -32.151 -20.390 1.00 0.00 C ATOM 205 C MET A 42 -5.358 -31.022 -21.332 1.00 0.00 C ATOM 206 O MET A 42 -5.202 -31.126 -22.547 1.00 0.00 O ATOM 0 H MET A 42 -4.861 -31.731 -18.340 1.00 0.00 H new ATOM 208 N LEU A 43 -5.865 -29.937 -20.752 1.00 0.00 N ATOM 209 CA LEU A 43 -6.282 -28.766 -21.518 1.00 0.00 C ATOM 210 C LEU A 43 -5.071 -27.985 -22.000 1.00 0.00 C ATOM 211 O LEU A 43 -5.080 -27.401 -23.082 1.00 0.00 O ATOM 0 H LEU A 43 -5.998 -29.845 -19.745 1.00 0.00 H new ATOM 213 N ARG A 44 -4.024 -27.983 -21.179 1.00 0.00 N ATOM 214 CA ARG A 44 -2.785 -27.280 -21.497 1.00 0.00 C ATOM 215 C ARG A 44 -1.947 -28.092 -22.471 1.00 0.00 C ATOM 216 O ARG A 44 -1.101 -27.555 -23.184 1.00 0.00 O ATOM 0 H ARG A 44 -4.010 -28.465 -20.280 1.00 0.00 H new ATOM 218 N LYS A 45 -2.194 -29.399 -22.492 1.00 0.00 N ATOM 219 CA LYS A 45 -1.475 -30.316 -23.372 1.00 0.00 C ATOM 220 C LYS A 45 -2.354 -30.732 -24.540 1.00 0.00 C ATOM 221 O LYS A 45 -1.872 -30.970 -25.646 1.00 0.00 O ATOM 0 H LYS A 45 -2.894 -29.850 -21.903 1.00 0.00 H new ATOM 223 N ALA A 46 -3.656 -30.815 -24.279 1.00 0.00 N ATOM 224 CA ALA A 46 -4.632 -31.202 -25.293 1.00 0.00 C ATOM 0 H ALA A 46 -4.062 -30.617 -23.364 1.00 0.00 H new