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 9.872 -40.911 51.729 1.00 0.00 C ATOM 2 C GLY A 1 10.716 -42.170 51.616 1.00 0.00 C ATOM 3 N VAL A 2 11.785 -42.218 52.406 1.00 0.00 N ATOM 4 CA VAL A 2 12.697 -43.358 52.417 1.00 0.00 C ATOM 5 C VAL A 2 11.952 -44.631 52.786 1.00 0.00 C ATOM 6 O VAL A 2 12.059 -45.650 52.105 1.00 0.00 O ATOM 0 H VAL A 2 12.043 -41.473 53.053 1.00 0.00 H new ATOM 8 N ILE A 3 11.195 -44.558 53.877 1.00 0.00 N ATOM 9 CA ILE A 3 10.417 -45.694 54.364 1.00 0.00 C ATOM 10 C ILE A 3 9.305 -46.036 53.386 1.00 0.00 C ATOM 11 O ILE A 3 8.893 -47.189 53.268 1.00 0.00 O ATOM 0 H ILE A 3 11.103 -43.716 54.445 1.00 0.00 H new ATOM 13 N ASP A 4 8.822 -45.014 52.685 1.00 0.00 N ATOM 14 CA ASP A 4 7.752 -45.177 51.705 1.00 0.00 C ATOM 15 C ASP A 4 8.126 -46.233 50.678 1.00 0.00 C ATOM 16 O ASP A 4 7.354 -47.149 50.397 1.00 0.00 O ATOM 0 H ASP A 4 9.158 -44.056 52.779 1.00 0.00 H new ATOM 18 N THR A 5 9.326 -46.094 50.121 1.00 0.00 N ATOM 19 CA THR A 5 9.833 -47.025 49.118 1.00 0.00 C ATOM 20 C THR A 5 8.813 -48.116 48.840 1.00 0.00 C ATOM 21 O THR A 5 8.520 -48.436 47.689 1.00 0.00 O ATOM 0 H THR A 5 9.971 -45.338 50.351 1.00 0.00 H new ATOM 23 N SER A 6 8.273 -48.685 49.914 1.00 0.00 N ATOM 24 CA SER A 6 7.277 -49.749 49.817 1.00 0.00 C ATOM 25 C SER A 6 6.054 -49.264 49.057 1.00 0.00 C ATOM 26 O SER A 6 5.795 -49.688 47.931 1.00 0.00 O ATOM 0 H SER A 6 8.511 -48.424 50.871 1.00 0.00 H new ATOM 28 N ALA A 7 5.302 -48.367 49.689 1.00 0.00 N ATOM 29 CA ALA A 7 4.094 -47.804 49.093 1.00 0.00 C ATOM 30 C ALA A 7 4.444 -46.942 47.892 1.00 0.00 C ATOM 31 O ALA A 7 3.667 -46.822 46.946 1.00 0.00 O ATOM 0 H ALA A 7 5.511 -48.012 50.622 1.00 0.00 H new ATOM 33 N VAL A 8 5.630 -46.341 47.942 1.00 0.00 N ATOM 34 CA VAL A 8 6.114 -45.479 46.867 1.00 0.00 C ATOM 35 C VAL A 8 6.176 -46.247 45.557 1.00 0.00 C ATOM 36 O VAL A 8 5.789 -45.742 44.504 1.00 0.00 O ATOM 0 H VAL A 8 6.279 -46.437 48.723 1.00 0.00 H new ATOM 38 N GLU A 9 6.672 -47.479 45.636 1.00 0.00 N ATOM 39 CA GLU A 9 6.799 -48.345 44.467 1.00 0.00 C ATOM 40 C GLU A 9 5.510 -48.344 43.661 1.00 0.00 C ATOM 41 O GLU A 9 5.525 -48.219 42.438 1.00 0.00 O ATOM 0 H GLU A 9 6.995 -47.903 46.506 1.00 0.00 H new ATOM 43 N SER A 10 4.391 -48.486 44.366 1.00 0.00 N ATOM 44 CA SER A 10 3.072 -48.506 43.741 1.00 0.00 C ATOM 45 C SER A 10 2.840 -47.230 42.948 1.00 0.00 C ATOM 46 O SER A 10 2.385 -47.265 41.806 1.00 0.00 O ATOM 0 H SER A 10 4.372 -48.590 45.381 1.00 0.00 H new ATOM 48 N ALA A 11 3.161 -46.100 43.571 1.00 0.00 N ATOM 49 CA ALA A 11 2.998 -44.791 42.945 1.00 0.00 C ATOM 50 C ALA A 11 3.924 -44.654 41.747 1.00 0.00 C ATOM 51 O ALA A 11 3.582 -44.024 40.748 1.00 0.00 O ATOM 0 H ALA A 11 3.539 -46.065 44.518 1.00 0.00 H new ATOM 53 N ILE A 12 5.104 -45.255 41.862 1.00 0.00 N ATOM 54 CA ILE A 12 6.106 -45.218 40.800 1.00 0.00 C ATOM 55 C ILE A 12 5.577 -45.895 39.546 1.00 0.00 C ATOM 56 O ILE A 12 5.784 -45.419 38.431 1.00 0.00 O ATOM 0 H ILE A 12 5.392 -45.779 42.688 1.00 0.00 H new ATOM 58 N THR A 13 4.890 -47.016 39.745 1.00 0.00 N ATOM 59 CA THR A 13 4.316 -47.785 38.644 1.00 0.00 C ATOM 60 C THR A 13 3.242 -46.978 37.934 1.00 0.00 C ATOM 61 O THR A 13 3.088 -47.055 36.716 1.00 0.00 O ATOM 0 H THR A 13 4.716 -47.415 40.667 1.00 0.00 H new ATOM 63 N ASP A 14 2.497 -46.200 38.715 1.00 0.00 N ATOM 64 CA ASP A 14 1.424 -45.363 38.187 1.00 0.00 C ATOM 65 C ASP A 14 1.990 -44.081 37.598 1.00 0.00 C ATOM 66 O ASP A 14 1.889 -43.833 36.397 1.00 0.00 O ATOM 0 H ASP A 14 2.619 -46.132 39.725 1.00 0.00 H new ATOM 68 N GLY A 15 2.588 -43.266 38.463 1.00 0.00 N ATOM 69 CA GLY A 15 3.182 -41.996 38.055 1.00 0.00 C ATOM 70 C GLY A 15 4.274 -42.226 37.024 1.00 0.00 C ATOM 71 O GLY A 15 4.134 -41.863 35.857 1.00 0.00 O ATOM 0 H GLY A 15 2.674 -43.465 39.460 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.413 -41.345 37.640 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.596 -41.486 38.924 1.00 0.00 H new ATOM 73 N GLN A 16 5.368 -42.837 37.471 1.00 0.00 N ATOM 74 CA GLN A 16 6.507 -43.130 36.606 1.00 0.00 C ATOM 75 C GLN A 16 6.113 -44.128 35.528 1.00 0.00 C ATOM 76 O GLN A 16 6.486 -43.988 34.365 1.00 0.00 O ATOM 0 H GLN A 16 5.490 -43.141 38.437 1.00 0.00 H new ATOM 78 N GLY A 17 5.353 -45.141 35.934 1.00 0.00 N ATOM 79 CA GLY A 17 4.890 -46.183 35.021 1.00 0.00 C ATOM 80 C GLY A 17 3.950 -45.600 33.980 1.00 0.00 C ATOM 81 O GLY A 17 4.098 -45.841 32.783 1.00 0.00 O ATOM 0 H GLY A 17 5.042 -45.263 36.898 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.744 -46.649 34.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.380 -46.966 35.582 1.00 0.00 H new ATOM 83 N ASP A 18 2.977 -44.826 34.453 1.00 0.00 N ATOM 84 CA ASP A 18 1.992 -44.191 33.582 1.00 0.00 C ATOM 85 C ASP A 18 2.651 -43.127 32.720 1.00 0.00 C ATOM 86 O ASP A 18 2.120 -42.728 31.685 1.00 0.00 O ATOM 0 H ASP A 18 2.849 -44.622 35.444 1.00 0.00 H new ATOM 88 N MET A 19 3.820 -42.672 33.162 1.00 0.00 N ATOM 89 CA MET A 19 4.580 -41.650 32.448 1.00 0.00 C ATOM 90 C MET A 19 5.034 -42.172 31.095 1.00 0.00 C ATOM 91 O MET A 19 4.909 -41.493 30.076 1.00 0.00 O ATOM 0 H MET A 19 4.265 -42.999 34.020 1.00 0.00 H new ATOM 93 N LYS A 20 5.565 -43.391 31.098 1.00 0.00 N ATOM 94 CA LYS A 20 6.050 -44.034 29.880 1.00 0.00 C ATOM 95 C LYS A 20 4.918 -44.198 28.878 1.00 0.00 C ATOM 96 O LYS A 20 5.101 -44.016 27.676 1.00 0.00 O ATOM 0 H LYS A 20 5.671 -43.958 31.939 1.00 0.00 H new ATOM 98 N ALA A 21 3.742 -44.547 29.392 1.00 0.00 N ATOM 99 CA ALA A 21 2.556 -44.744 28.563 1.00 0.00 C ATOM 100 C ALA A 21 2.164 -43.445 27.878 1.00 0.00 C ATOM 101 O ALA A 21 1.763 -43.436 26.715 1.00 0.00 O ATOM 0 H ALA A 21 3.584 -44.700 30.388 1.00 0.00 H new ATOM 103 N ILE A 22 2.285 -42.346 28.617 1.00 0.00 N ATOM 104 CA ILE A 22 1.949 -41.021 28.104 1.00 0.00 C ATOM 105 C ILE A 22 2.904 -40.623 26.991 1.00 0.00 C ATOM 106 O ILE A 22 2.499 -40.056 25.978 1.00 0.00 O ATOM 0 H ILE A 22 2.616 -42.348 29.582 1.00 0.00 H new ATOM 108 N GLY A 23 4.183 -40.928 27.195 1.00 0.00 N ATOM 109 CA GLY A 23 5.225 -40.612 26.221 1.00 0.00 C ATOM 110 C GLY A 23 4.988 -41.369 24.924 1.00 0.00 C ATOM 111 O GLY A 23 5.183 -40.836 23.833 1.00 0.00 O ATOM 0 H GLY A 23 4.525 -41.398 28.033 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.236 -39.540 26.026 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.202 -40.872 26.628 1.00 0.00 H new ATOM 113 N GLY A 24 4.562 -42.621 25.059 1.00 0.00 N ATOM 114 CA GLY A 24 4.288 -43.480 23.910 1.00 0.00 C ATOM 115 C GLY A 24 3.027 -43.025 23.194 1.00 0.00 C ATOM 116 O GLY A 24 3.014 -42.851 21.976 1.00 0.00 O ATOM 0 H GLY A 24 4.398 -43.067 25.961 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.133 -43.457 23.221 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.174 -44.513 24.240 1.00 0.00 H new ATOM 118 N TYR A 25 1.963 -42.834 23.969 1.00 0.00 N ATOM 119 CA TYR A 25 0.677 -42.397 23.434 1.00 0.00 C ATOM 120 C TYR A 25 0.824 -41.067 22.714 1.00 0.00 C ATOM 121 O TYR A 25 0.279 -40.867 21.629 1.00 0.00 O ATOM 0 H TYR A 25 1.967 -42.977 24.979 1.00 0.00 H new ATOM 123 N ILE A 26 1.569 -40.157 23.334 1.00 0.00 N ATOM 124 CA ILE A 26 1.808 -38.830 22.774 1.00 0.00 C ATOM 125 C ILE A 26 2.554 -38.936 21.454 1.00 0.00 C ATOM 126 O ILE A 26 2.230 -38.254 20.483 1.00 0.00 O ATOM 0 H ILE A 26 2.022 -40.317 24.234 1.00 0.00 H new ATOM 128 N VAL A 27 3.563 -39.803 21.432 1.00 0.00 N ATOM 129 CA VAL A 27 4.378 -40.021 20.241 1.00 0.00 C ATOM 130 C VAL A 27 3.533 -40.593 19.115 1.00 0.00 C ATOM 131 O VAL A 27 3.716 -40.255 17.946 1.00 0.00 O ATOM 0 H VAL A 27 3.837 -40.371 22.234 1.00 0.00 H new ATOM 133 N GLY A 28 2.601 -41.468 19.483 1.00 0.00 N ATOM 134 CA GLY A 28 1.708 -42.107 18.521 1.00 0.00 C ATOM 135 C GLY A 28 0.961 -41.060 17.711 1.00 0.00 C ATOM 136 O GLY A 28 0.842 -41.165 16.491 1.00 0.00 O ATOM 0 H GLY A 28 2.444 -41.753 20.450 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.282 -42.750 17.854 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.997 -42.746 19.045 1.00 0.00 H new ATOM 138 N ALA A 29 0.458 -40.045 18.408 1.00 0.00 N ATOM 139 CA ALA A 29 -0.286 -38.959 17.777 1.00 0.00 C ATOM 140 C ALA A 29 0.631 -38.129 16.892 1.00 0.00 C ATOM 141 O ALA A 29 0.250 -37.705 15.803 1.00 0.00 O ATOM 0 H ALA A 29 0.554 -39.952 19.419 1.00 0.00 H new ATOM 143 N LEU A 30 1.848 -37.904 17.378 1.00 0.00 N ATOM 144 CA LEU A 30 2.846 -37.126 16.650 1.00 0.00 C ATOM 145 C LEU A 30 3.161 -37.779 15.314 1.00 0.00 C ATOM 146 O LEU A 30 3.323 -37.104 14.299 1.00 0.00 O ATOM 0 H LEU A 30 2.169 -38.253 18.281 1.00 0.00 H new ATOM 148 N VAL A 31 3.244 -39.106 15.329 1.00 0.00 N ATOM 149 CA VAL A 31 3.539 -39.883 14.128 1.00 0.00 C ATOM 150 C VAL A 31 2.426 -39.723 13.104 1.00 0.00 C ATOM 151 O VAL A 31 2.676 -39.602 11.906 1.00 0.00 O ATOM 0 H VAL A 31 3.110 -39.671 16.168 1.00 0.00 H new ATOM 153 N ILE A 32 1.190 -39.724 13.595 1.00 0.00 N ATOM 154 CA ILE A 32 0.013 -39.580 12.743 1.00 0.00 C ATOM 155 C ILE A 32 0.017 -38.226 12.053 1.00 0.00 C ATOM 156 O ILE A 32 -0.281 -38.116 10.865 1.00 0.00 O ATOM 0 H ILE A 32 0.976 -39.824 14.587 1.00 0.00 H new ATOM 158 N LEU A 33 0.359 -37.193 12.818 1.00 0.00 N ATOM 159 CA LEU A 33 0.411 -35.827 12.306 1.00 0.00 C ATOM 160 C LEU A 33 1.474 -35.703 11.226 1.00 0.00 C ATOM 161 O LEU A 33 1.245 -35.109 10.173 1.00 0.00 O ATOM 0 H LEU A 33 0.606 -37.278 13.804 1.00 0.00 H new ATOM 163 N ALA A 34 2.643 -36.274 11.503 1.00 0.00 N ATOM 164 CA ALA A 34 3.766 -36.243 10.570 1.00 0.00 C ATOM 165 C ALA A 34 3.350 -36.803 9.219 1.00 0.00 C ATOM 166 O ALA A 34 3.876 -36.409 8.179 1.00 0.00 O ATOM 0 H ALA A 34 2.838 -36.768 12.374 1.00 0.00 H new ATOM 168 N VAL A 35 2.397 -37.729 9.249 1.00 0.00 N ATOM 169 CA VAL A 35 1.888 -38.364 8.037 1.00 0.00 C ATOM 170 C VAL A 35 1.328 -37.321 7.084 1.00 0.00 C ATOM 171 O VAL A 35 1.405 -37.465 5.865 1.00 0.00 O ATOM 0 H VAL A 35 1.958 -38.059 10.108 1.00 0.00 H new ATOM 173 N ALA A 36 0.760 -36.264 7.658 1.00 0.00 N ATOM 174 CA ALA A 36 0.176 -35.174 6.882 1.00 0.00 C ATOM 175 C ALA A 36 1.260 -34.398 6.153 1.00 0.00 C ATOM 176 O ALA A 36 1.093 -34.000 5.001 1.00 0.00 O ATOM 0 H ALA A 36 0.692 -36.139 8.668 1.00 0.00 H new ATOM 178 N GLY A 37 2.379 -34.188 6.842 1.00 0.00 N ATOM 179 CA GLY A 37 3.514 -33.459 6.284 1.00 0.00 C ATOM 180 C GLY A 37 3.939 -34.071 4.959 1.00 0.00 C ATOM 181 O GLY A 37 4.101 -33.374 3.959 1.00 0.00 O ATOM 0 H GLY A 37 2.524 -34.516 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.246 -32.412 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.348 -33.480 6.985 1.00 0.00 H new ATOM 183 N LEU A 38 4.118 -35.389 4.965 1.00 0.00 N ATOM 184 CA LEU A 38 4.526 -36.127 3.774 1.00 0.00 C ATOM 185 C LEU A 38 3.452 -36.044 2.702 1.00 0.00 C ATOM 186 O LEU A 38 3.737 -35.795 1.532 1.00 0.00 O ATOM 0 H LEU A 38 3.985 -35.973 5.791 1.00 0.00 H new ATOM 188 N ILE A 39 2.207 -36.258 3.119 1.00 0.00 N ATOM 189 CA ILE A 39 1.062 -36.214 2.214 1.00 0.00 C ATOM 190 C ILE A 39 1.013 -34.883 1.482 1.00 0.00 C ATOM 191 O ILE A 39 0.840 -34.832 0.265 1.00 0.00 O ATOM 0 H ILE A 39 1.964 -36.466 4.088 1.00 0.00 H new ATOM 193 N TYR A 40 1.170 -33.803 2.242 1.00 0.00 N ATOM 194 CA TYR A 40 1.148 -32.451 1.691 1.00 0.00 C ATOM 195 C TYR A 40 2.321 -32.242 0.748 1.00 0.00 C ATOM 196 O TYR A 40 2.173 -31.683 -0.338 1.00 0.00 O ATOM 0 H TYR A 40 1.315 -33.839 3.251 1.00 0.00 H new ATOM 198 N SER A 41 3.494 -32.699 1.178 1.00 0.00 N ATOM 199 CA SER A 41 4.716 -32.575 0.390 1.00 0.00 C ATOM 200 C SER A 41 4.566 -33.294 -0.941 1.00 0.00 C ATOM 201 O SER A 41 5.021 -32.813 -1.978 1.00 0.00 O ATOM 0 H SER A 41 3.624 -33.163 2.077 1.00 0.00 H new ATOM 203 N MET A 42 3.920 -34.456 -0.897 1.00 0.00 N ATOM 204 CA MET A 42 3.694 -35.267 -2.090 1.00 0.00 C ATOM 205 C MET A 42 2.725 -34.571 -3.032 1.00 0.00 C ATOM 206 O MET A 42 2.913 -34.565 -4.247 1.00 0.00 O ATOM 0 H MET A 42 3.541 -34.860 -0.040 1.00 0.00 H new ATOM 208 N LEU A 43 1.683 -33.981 -2.452 1.00 0.00 N ATOM 209 CA LEU A 43 0.663 -33.271 -3.218 1.00 0.00 C ATOM 210 C LEU A 43 1.197 -31.932 -3.700 1.00 0.00 C ATOM 211 O LEU A 43 0.850 -31.461 -4.782 1.00 0.00 O ATOM 0 H LEU A 43 1.523 -33.981 -1.445 1.00 0.00 H new ATOM 213 N ARG A 44 2.048 -31.323 -2.879 1.00 0.00 N ATOM 214 CA ARG A 44 2.649 -30.030 -3.197 1.00 0.00 C ATOM 215 C ARG A 44 3.802 -30.205 -4.171 1.00 0.00 C ATOM 216 O ARG A 44 4.179 -29.277 -4.884 1.00 0.00 O ATOM 0 H ARG A 44 2.339 -31.708 -1.980 1.00 0.00 H new ATOM 218 N LYS A 45 4.359 -31.413 -4.192 1.00 0.00 N ATOM 219 CA LYS A 45 5.477 -31.742 -5.072 1.00 0.00 C ATOM 220 C LYS A 45 5.003 -32.591 -6.240 1.00 0.00 C ATOM 221 O LYS A 45 5.534 -32.505 -7.346 1.00 0.00 O ATOM 0 H LYS A 45 4.051 -32.187 -3.604 1.00 0.00 H new ATOM 223 N ALA A 46 3.992 -33.414 -5.979 1.00 0.00 N ATOM 224 CA ALA A 46 3.421 -34.296 -6.993 1.00 0.00 C ATOM 0 H ALA A 46 3.547 -33.489 -5.064 1.00 0.00 H new