USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 117 hydrogens (0 hets) ATOM 13 N PRO A 2 4.452 -0.927 -2.099 1.00 13.33 N ATOM 14 CA PRO A 2 5.906 -1.110 -2.138 1.00 35.35 C ATOM 15 C PRO A 2 6.660 0.211 -2.032 1.00 33.24 C ATOM 16 O PRO A 2 7.784 0.256 -1.533 1.00 64.00 O ATOM 17 CB PRO A 2 6.145 -1.755 -3.505 1.00 43.31 C ATOM 18 CG PRO A 2 4.990 -1.318 -4.338 1.00 12.53 C ATOM 19 CD PRO A 2 3.820 -1.209 -3.399 1.00 23.13 C ATOM 0 HA PRO A 2 6.264 -1.709 -1.301 1.00 35.35 H new ATOM 0 HB2 PRO A 2 7.091 -1.428 -3.937 1.00 43.31 H new ATOM 0 HB3 PRO A 2 6.189 -2.841 -3.428 1.00 43.31 H new ATOM 0 HG2 PRO A 2 5.195 -0.361 -4.819 1.00 12.53 H new ATOM 0 HG3 PRO A 2 4.787 -2.037 -5.132 1.00 12.53 H new ATOM 0 HD2 PRO A 2 3.139 -0.412 -3.696 1.00 23.13 H new ATOM 0 HD3 PRO A 2 3.239 -2.131 -3.372 1.00 23.13 H new ATOM 27 N ARG A 3 6.033 1.284 -2.503 1.00 63.11 N ATOM 28 CA ARG A 3 6.646 2.606 -2.462 1.00 3.02 C ATOM 29 C ARG A 3 6.295 3.328 -1.164 1.00 23.30 C ATOM 30 O ARG A 3 6.779 4.430 -0.905 1.00 53.21 O ATOM 31 CB ARG A 3 6.191 3.440 -3.661 1.00 4.22 C ATOM 32 CG ARG A 3 6.545 2.821 -5.003 1.00 23.00 C ATOM 33 CD ARG A 3 7.059 3.866 -5.981 1.00 2.34 C ATOM 34 NE ARG A 3 6.056 4.888 -6.267 1.00 12.23 N ATOM 35 CZ ARG A 3 6.131 5.724 -7.296 1.00 71.15 C ATOM 36 NH1 ARG A 3 7.157 5.659 -8.134 1.00 32.12 N ATOM 37 NH2 ARG A 3 5.178 6.627 -7.491 1.00 21.24 N ATOM 0 H ARG A 3 5.101 1.264 -2.917 1.00 63.11 H new ATOM 0 HA ARG A 3 7.728 2.479 -2.506 1.00 3.02 H new ATOM 0 HB2 ARG A 3 5.111 3.578 -3.608 1.00 4.22 H new ATOM 0 HB3 ARG A 3 6.643 4.430 -3.597 1.00 4.22 H new ATOM 0 HG2 ARG A 3 7.303 2.050 -4.861 1.00 23.00 H new ATOM 0 HG3 ARG A 3 5.666 2.330 -5.422 1.00 23.00 H new ATOM 0 HD2 ARG A 3 7.951 4.339 -5.571 1.00 2.34 H new ATOM 0 HD3 ARG A 3 7.355 3.379 -6.910 1.00 2.34 H new ATOM 0 HE ARG A 3 5.254 4.964 -5.642 1.00 12.23 H new ATOM 0 HH11 ARG A 3 7.891 4.966 -7.989 1.00 32.12 H new ATOM 0 HH12 ARG A 3 7.212 6.302 -8.924 1.00 32.12 H new ATOM 0 HH21 ARG A 3 4.386 6.680 -6.850 1.00 21.24 H new ATOM 0 HH22 ARG A 3 5.237 7.268 -8.282 1.00 21.24 H new ATOM 51 N ILE A 4 5.452 2.699 -0.353 1.00 34.41 N ATOM 52 CA ILE A 4 5.037 3.281 0.918 1.00 72.54 C ATOM 53 C ILE A 4 5.823 2.682 2.079 1.00 32.11 C ATOM 54 O ILE A 4 5.987 3.314 3.122 1.00 42.31 O ATOM 55 CB ILE A 4 3.532 3.070 1.168 1.00 12.34 C ATOM 56 CG1 ILE A 4 2.708 3.801 0.106 1.00 65.03 C ATOM 57 CG2 ILE A 4 3.155 3.551 2.562 1.00 52.34 C ATOM 58 CD1 ILE A 4 2.880 5.304 0.136 1.00 33.42 C ATOM 0 H ILE A 4 5.043 1.786 -0.553 1.00 34.41 H new ATOM 0 HA ILE A 4 5.241 4.350 0.858 1.00 72.54 H new ATOM 0 HB ILE A 4 3.313 2.004 1.100 1.00 12.34 H new ATOM 0 HG12 ILE A 4 2.990 3.431 -0.880 1.00 65.03 H new ATOM 0 HG13 ILE A 4 1.654 3.561 0.247 1.00 65.03 H new ATOM 0 HG21 ILE A 4 2.088 3.396 2.724 1.00 52.34 H new ATOM 0 HG22 ILE A 4 3.721 2.990 3.306 1.00 52.34 H new ATOM 0 HG23 ILE A 4 3.385 4.612 2.655 1.00 52.34 H new ATOM 0 HD11 ILE A 4 2.267 5.756 -0.644 1.00 33.42 H new ATOM 0 HD12 ILE A 4 2.570 5.686 1.109 1.00 33.42 H new ATOM 0 HD13 ILE A 4 3.927 5.554 -0.035 1.00 33.42 H new ATOM 70 N ALA A 5 6.308 1.459 1.890 1.00 10.13 N ATOM 71 CA ALA A 5 7.080 0.776 2.921 1.00 44.34 C ATOM 72 C ALA A 5 8.543 1.205 2.885 1.00 43.32 C ATOM 73 O ALA A 5 9.217 1.233 3.914 1.00 23.30 O ATOM 74 CB ALA A 5 6.966 -0.732 2.753 1.00 3.34 C ATOM 0 H ALA A 5 6.180 0.921 1.033 1.00 10.13 H new ATOM 0 HA ALA A 5 6.670 1.054 3.892 1.00 44.34 H new ATOM 0 HB1 ALA A 5 7.547 -1.230 3.529 1.00 3.34 H new ATOM 0 HB2 ALA A 5 5.921 -1.029 2.836 1.00 3.34 H new ATOM 0 HB3 ALA A 5 7.348 -1.019 1.773 1.00 3.34 H new ATOM 80 N ALA A 6 9.028 1.539 1.693 1.00 23.32 N ATOM 81 CA ALA A 6 10.411 1.967 1.524 1.00 1.50 C ATOM 82 C ALA A 6 10.721 3.178 2.398 1.00 43.23 C ATOM 83 O ALA A 6 11.875 3.421 2.751 1.00 22.14 O ATOM 84 CB ALA A 6 10.691 2.284 0.062 1.00 34.32 C ATOM 0 H ALA A 6 8.483 1.521 0.831 1.00 23.32 H new ATOM 0 HA ALA A 6 11.059 1.149 1.838 1.00 1.50 H new ATOM 0 HB1 ALA A 6 11.728 2.602 -0.049 1.00 34.32 H new ATOM 0 HB2 ALA A 6 10.518 1.394 -0.543 1.00 34.32 H new ATOM 0 HB3 ALA A 6 10.028 3.083 -0.270 1.00 34.32 H new ATOM 90 N ARG A 7 9.684 3.935 2.742 1.00 64.02 N ATOM 91 CA ARG A 7 9.847 5.122 3.573 1.00 61.13 C ATOM 92 C ARG A 7 9.589 4.797 5.041 1.00 13.20 C ATOM 93 O ARG A 7 10.086 5.480 5.935 1.00 12.33 O ATOM 94 CB ARG A 7 8.898 6.229 3.109 1.00 23.24 C ATOM 95 CG ARG A 7 9.600 7.539 2.791 1.00 61.23 C ATOM 96 CD ARG A 7 8.635 8.713 2.837 1.00 4.33 C ATOM 97 NE ARG A 7 8.716 9.536 1.633 1.00 4.24 N ATOM 98 CZ ARG A 7 8.121 9.223 0.488 1.00 65.02 C ATOM 99 NH1 ARG A 7 7.405 8.111 0.391 1.00 5.30 N ATOM 100 NH2 ARG A 7 8.242 10.023 -0.564 1.00 72.11 N ATOM 0 H ARG A 7 8.722 3.747 2.458 1.00 64.02 H new ATOM 0 HA ARG A 7 10.875 5.469 3.471 1.00 61.13 H new ATOM 0 HB2 ARG A 7 8.363 5.889 2.223 1.00 23.24 H new ATOM 0 HB3 ARG A 7 8.152 6.405 3.884 1.00 23.24 H new ATOM 0 HG2 ARG A 7 10.408 7.703 3.504 1.00 61.23 H new ATOM 0 HG3 ARG A 7 10.055 7.479 1.802 1.00 61.23 H new ATOM 0 HD2 ARG A 7 7.617 8.341 2.954 1.00 4.33 H new ATOM 0 HD3 ARG A 7 8.852 9.327 3.711 1.00 4.33 H new ATOM 0 HE ARG A 7 9.259 10.398 1.674 1.00 4.24 H new ATOM 0 HH11 ARG A 7 7.310 7.494 1.197 1.00 5.30 H new ATOM 0 HH12 ARG A 7 6.949 7.873 -0.490 1.00 5.30 H new ATOM 0 HH21 ARG A 7 8.792 10.879 -0.493 1.00 72.11 H new ATOM 0 HH22 ARG A 7 7.785 9.782 -1.443 1.00 72.11 H new ATOM 114 N GLY A 8 8.806 3.749 5.281 1.00 5.15 N ATOM 115 CA GLY A 8 8.495 3.353 6.642 1.00 20.43 C ATOM 116 C GLY A 8 9.700 2.794 7.374 1.00 75.15 C ATOM 117 O GLY A 8 9.809 2.923 8.593 1.00 53.21 O ATOM 0 H GLY A 8 8.382 3.168 4.558 1.00 5.15 H new ATOM 0 HA2 GLY A 8 8.109 4.214 7.188 1.00 20.43 H new ATOM 0 HA3 GLY A 8 7.703 2.604 6.627 1.00 20.43 H new ATOM 121 N ARG A 9 10.605 2.170 6.628 1.00 64.22 N ATOM 122 CA ARG A 9 11.806 1.587 7.213 1.00 25.44 C ATOM 123 C ARG A 9 12.855 2.661 7.486 1.00 1.01 C ATOM 124 O ARG A 9 13.625 2.563 8.441 1.00 15.14 O ATOM 125 CB ARG A 9 12.385 0.518 6.284 1.00 24.04 C ATOM 126 CG ARG A 9 13.597 -0.197 6.859 1.00 23.01 C ATOM 127 CD ARG A 9 13.498 -1.702 6.669 1.00 31.52 C ATOM 128 NE ARG A 9 14.425 -2.426 7.535 1.00 12.15 N ATOM 129 CZ ARG A 9 14.231 -2.597 8.839 1.00 45.25 C ATOM 130 NH1 ARG A 9 13.150 -2.099 9.423 1.00 61.25 N ATOM 131 NH2 ARG A 9 15.121 -3.267 9.560 1.00 33.11 N ATOM 0 H ARG A 9 10.529 2.055 5.617 1.00 64.22 H new ATOM 0 HA ARG A 9 11.530 1.124 8.160 1.00 25.44 H new ATOM 0 HB2 ARG A 9 11.611 -0.217 6.063 1.00 24.04 H new ATOM 0 HB3 ARG A 9 12.663 0.983 5.338 1.00 24.04 H new ATOM 0 HG2 ARG A 9 14.502 0.173 6.377 1.00 23.01 H new ATOM 0 HG3 ARG A 9 13.686 0.032 7.921 1.00 23.01 H new ATOM 0 HD2 ARG A 9 12.479 -2.027 6.877 1.00 31.52 H new ATOM 0 HD3 ARG A 9 13.706 -1.950 5.628 1.00 31.52 H new ATOM 0 HE ARG A 9 15.267 -2.822 7.117 1.00 12.15 H new ATOM 0 HH11 ARG A 9 12.464 -1.583 8.872 1.00 61.25 H new ATOM 0 HH12 ARG A 9 13.004 -2.232 10.424 1.00 61.25 H new ATOM 0 HH21 ARG A 9 15.954 -3.651 9.114 1.00 33.11 H new ATOM 0 HH22 ARG A 9 14.972 -3.398 10.561 1.00 33.11 H new ATOM 145 N ALA A 10 12.879 3.685 6.640 1.00 43.35 N ATOM 146 CA ALA A 10 13.832 4.778 6.790 1.00 51.30 C ATOM 147 C ALA A 10 13.753 5.387 8.186 1.00 53.33 C ATOM 148 O ALA A 10 14.751 5.871 8.720 1.00 61.51 O ATOM 149 CB ALA A 10 13.584 5.844 5.732 1.00 20.43 C ATOM 0 H ALA A 10 12.249 3.781 5.843 1.00 43.35 H new ATOM 0 HA ALA A 10 14.835 4.374 6.654 1.00 51.30 H new ATOM 0 HB1 ALA A 10 14.303 6.654 5.856 1.00 20.43 H new ATOM 0 HB2 ALA A 10 13.698 5.406 4.740 1.00 20.43 H new ATOM 0 HB3 ALA A 10 12.573 6.236 5.841 1.00 20.43 H new ATOM 155 N ARG A 11 12.560 5.361 8.771 1.00 54.53 N ATOM 156 CA ARG A 11 12.350 5.913 10.104 1.00 44.10 C ATOM 157 C ARG A 11 13.366 5.347 11.092 1.00 32.22 C ATOM 158 O ARG A 11 14.272 6.051 11.540 1.00 12.10 O ATOM 159 CB ARG A 11 10.930 5.612 10.587 1.00 63.24 C ATOM 160 CG ARG A 11 10.531 6.392 11.828 1.00 14.21 C ATOM 161 CD ARG A 11 9.116 6.051 12.269 1.00 31.23 C ATOM 162 NE ARG A 11 8.528 7.107 13.089 1.00 3.01 N ATOM 163 CZ ARG A 11 7.285 7.070 13.555 1.00 52.04 C ATOM 164 NH1 ARG A 11 6.502 6.035 13.283 1.00 62.22 N ATOM 165 NH2 ARG A 11 6.822 8.070 14.294 1.00 31.22 N ATOM 0 H ARG A 11 11.724 4.963 8.343 1.00 54.53 H new ATOM 0 HA ARG A 11 12.485 6.993 10.048 1.00 44.10 H new ATOM 0 HB2 ARG A 11 10.227 5.837 9.785 1.00 63.24 H new ATOM 0 HB3 ARG A 11 10.845 4.546 10.795 1.00 63.24 H new ATOM 0 HG2 ARG A 11 11.228 6.173 12.637 1.00 14.21 H new ATOM 0 HG3 ARG A 11 10.603 7.461 11.626 1.00 14.21 H new ATOM 0 HD2 ARG A 11 8.493 5.885 11.390 1.00 31.23 H new ATOM 0 HD3 ARG A 11 9.127 5.118 12.833 1.00 31.23 H new ATOM 0 HE ARG A 11 9.104 7.918 13.316 1.00 3.01 H new ATOM 0 HH11 ARG A 11 6.854 5.265 12.715 1.00 62.22 H new ATOM 0 HH12 ARG A 11 5.548 6.009 13.642 1.00 62.22 H new ATOM 0 HH21 ARG A 11 7.421 8.868 14.505 1.00 31.22 H new ATOM 0 HH22 ARG A 11 5.867 8.040 14.651 1.00 31.22 H new ATOM 179 N LEU A 12 13.208 4.071 11.429 1.00 43.45 N ATOM 180 CA LEU A 12 14.111 3.410 12.364 1.00 31.23 C ATOM 181 C LEU A 12 15.549 3.452 11.856 1.00 35.23 C ATOM 182 O LEU A 12 16.492 3.543 12.641 1.00 24.35 O ATOM 183 CB LEU A 12 13.677 1.959 12.583 1.00 43.23 C ATOM 184 CG LEU A 12 12.226 1.751 13.018 1.00 25.33 C ATOM 185 CD1 LEU A 12 11.862 0.275 12.971 1.00 52.01 C ATOM 186 CD2 LEU A 12 12.003 2.313 14.415 1.00 72.34 C ATOM 0 H LEU A 12 12.463 3.474 11.069 1.00 43.45 H new ATOM 0 HA LEU A 12 14.066 3.944 13.313 1.00 31.23 H new ATOM 0 HB2 LEU A 12 13.840 1.408 11.657 1.00 43.23 H new ATOM 0 HB3 LEU A 12 14.328 1.516 13.336 1.00 43.23 H new ATOM 0 HG LEU A 12 11.578 2.287 12.325 1.00 25.33 H new ATOM 0 HD11 LEU A 12 10.826 0.146 13.284 1.00 52.01 H new ATOM 0 HD12 LEU A 12 11.983 -0.097 11.954 1.00 52.01 H new ATOM 0 HD13 LEU A 12 12.516 -0.283 13.642 1.00 52.01 H new ATOM 0 HD21 LEU A 12 10.965 2.156 14.709 1.00 72.34 H new ATOM 0 HD22 LEU A 12 12.660 1.805 15.121 1.00 72.34 H new ATOM 0 HD23 LEU A 12 12.224 3.380 14.417 1.00 72.34 H new ATOM 198 N ARG A 13 15.707 3.387 10.538 1.00 0.24 N ATOM 199 CA ARG A 13 17.029 3.419 9.925 1.00 24.14 C ATOM 200 C ARG A 13 17.778 4.691 10.312 1.00 13.25 C ATOM 201 O ARG A 13 18.961 4.650 10.646 1.00 24.44 O ATOM 202 CB ARG A 13 16.912 3.327 8.403 1.00 74.10 C ATOM 203 CG ARG A 13 18.105 2.660 7.739 1.00 61.11 C ATOM 204 CD ARG A 13 19.382 3.455 7.960 1.00 2.21 C ATOM 205 NE ARG A 13 20.286 3.368 6.816 1.00 2.24 N ATOM 206 CZ ARG A 13 20.988 2.281 6.515 1.00 11.34 C ATOM 207 NH1 ARG A 13 20.890 1.195 7.269 1.00 11.02 N ATOM 208 NH2 ARG A 13 21.789 2.279 5.458 1.00 45.41 N ATOM 0 H ARG A 13 14.936 3.312 9.874 1.00 0.24 H new ATOM 0 HA ARG A 13 17.592 2.561 10.292 1.00 24.14 H new ATOM 0 HB2 ARG A 13 16.009 2.772 8.150 1.00 74.10 H new ATOM 0 HB3 ARG A 13 16.794 4.331 7.995 1.00 74.10 H new ATOM 0 HG2 ARG A 13 18.229 1.653 8.137 1.00 61.11 H new ATOM 0 HG3 ARG A 13 17.918 2.559 6.670 1.00 61.11 H new ATOM 0 HD2 ARG A 13 19.131 4.499 8.145 1.00 2.21 H new ATOM 0 HD3 ARG A 13 19.889 3.086 8.852 1.00 2.21 H new ATOM 0 HE ARG A 13 20.384 4.187 6.215 1.00 2.24 H new ATOM 0 HH11 ARG A 13 20.275 1.193 8.082 1.00 11.02 H new ATOM 0 HH12 ARG A 13 21.430 0.362 7.036 1.00 11.02 H new ATOM 0 HH21 ARG A 13 21.867 3.113 4.875 1.00 45.41 H new ATOM 0 HH22 ARG A 13 22.328 1.444 5.228 1.00 45.41 H new ATOM 222 N ALA A 14 17.079 5.820 10.264 1.00 13.53 N ATOM 223 CA ALA A 14 17.676 7.104 10.611 1.00 0.01 C ATOM 224 C ALA A 14 17.745 7.287 12.123 1.00 24.55 C ATOM 225 O ALA A 14 18.765 7.718 12.661 1.00 44.53 O ATOM 226 CB ALA A 14 16.890 8.241 9.976 1.00 55.01 C ATOM 0 H ALA A 14 16.098 5.872 9.988 1.00 13.53 H new ATOM 0 HA ALA A 14 18.694 7.119 10.222 1.00 0.01 H new ATOM 0 HB1 ALA A 14 17.347 9.193 10.244 1.00 55.01 H new ATOM 0 HB2 ALA A 14 16.897 8.127 8.892 1.00 55.01 H new ATOM 0 HB3 ALA A 14 15.862 8.218 10.337 1.00 55.01 H new