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 4.360 -1.140 -1.808 1.00 65.22 N ATOM 14 CA PRO A 2 5.814 -1.317 -1.878 1.00 30.41 C ATOM 15 C PRO A 2 6.565 0.005 -1.769 1.00 1.11 C ATOM 16 O PRO A 2 7.696 0.049 -1.285 1.00 43.11 O ATOM 17 CB PRO A 2 6.029 -1.942 -3.259 1.00 22.44 C ATOM 18 CG PRO A 2 4.856 -1.499 -4.062 1.00 41.44 C ATOM 19 CD PRO A 2 3.705 -1.408 -3.099 1.00 52.43 C ATOM 0 HA PRO A 2 6.190 -1.926 -1.056 1.00 30.41 H new ATOM 0 HB2 PRO A 2 6.964 -1.604 -3.705 1.00 22.44 H new ATOM 0 HB3 PRO A 2 6.079 -3.029 -3.198 1.00 22.44 H new ATOM 0 HG2 PRO A 2 5.047 -0.535 -4.533 1.00 41.44 H new ATOM 0 HG3 PRO A 2 4.641 -2.208 -4.862 1.00 41.44 H new ATOM 0 HD2 PRO A 2 3.015 -0.610 -3.372 1.00 52.43 H new ATOM 0 HD3 PRO A 2 3.129 -2.333 -3.073 1.00 52.43 H new ATOM 27 N ARG A 3 5.929 1.081 -2.221 1.00 32.31 N ATOM 28 CA ARG A 3 6.538 2.404 -2.174 1.00 51.54 C ATOM 29 C ARG A 3 6.202 3.112 -0.865 1.00 22.33 C ATOM 30 O ARG A 3 6.686 4.213 -0.601 1.00 55.22 O ATOM 31 CB ARG A 3 6.064 3.249 -3.359 1.00 11.25 C ATOM 32 CG ARG A 3 6.401 2.645 -4.712 1.00 25.23 C ATOM 33 CD ARG A 3 6.872 3.706 -5.694 1.00 52.01 C ATOM 34 NE ARG A 3 5.928 4.816 -5.794 1.00 71.02 N ATOM 35 CZ ARG A 3 6.240 6.002 -6.304 1.00 52.22 C ATOM 36 NH1 ARG A 3 7.464 6.231 -6.758 1.00 42.04 N ATOM 37 NH2 ARG A 3 5.326 6.962 -6.361 1.00 52.41 N ATOM 0 H ARG A 3 4.992 1.062 -2.624 1.00 32.31 H new ATOM 0 HA ARG A 3 7.619 2.281 -2.233 1.00 51.54 H new ATOM 0 HB2 ARG A 3 4.985 3.384 -3.290 1.00 11.25 H new ATOM 0 HB3 ARG A 3 6.514 4.240 -3.291 1.00 11.25 H new ATOM 0 HG2 ARG A 3 7.177 1.889 -4.591 1.00 25.23 H new ATOM 0 HG3 ARG A 3 5.523 2.139 -5.115 1.00 25.23 H new ATOM 0 HD2 ARG A 3 7.845 4.084 -5.380 1.00 52.01 H new ATOM 0 HD3 ARG A 3 7.007 3.255 -6.677 1.00 52.01 H new ATOM 0 HE ARG A 3 4.977 4.673 -5.454 1.00 71.02 H new ATOM 0 HH11 ARG A 3 8.169 5.495 -6.716 1.00 42.04 H new ATOM 0 HH12 ARG A 3 7.701 7.143 -7.149 1.00 42.04 H new ATOM 0 HH21 ARG A 3 4.383 6.790 -6.013 1.00 52.41 H new ATOM 0 HH22 ARG A 3 5.566 7.873 -6.753 1.00 52.41 H new ATOM 51 N ILE A 4 5.372 2.472 -0.049 1.00 32.54 N ATOM 52 CA ILE A 4 4.972 3.039 1.233 1.00 4.12 C ATOM 53 C ILE A 4 5.776 2.432 2.378 1.00 63.42 C ATOM 54 O ILE A 4 5.953 3.054 3.425 1.00 72.04 O ATOM 55 CB ILE A 4 3.472 2.821 1.502 1.00 32.14 C ATOM 56 CG1 ILE A 4 2.631 3.559 0.459 1.00 44.35 C ATOM 57 CG2 ILE A 4 3.112 3.287 2.905 1.00 22.55 C ATOM 58 CD1 ILE A 4 2.795 5.062 0.504 1.00 1.42 C ATOM 0 H ILE A 4 4.963 1.560 -0.253 1.00 32.54 H new ATOM 0 HA ILE A 4 5.171 4.109 1.180 1.00 4.12 H new ATOM 0 HB ILE A 4 3.257 1.755 1.427 1.00 32.14 H new ATOM 0 HG12 ILE A 4 2.903 3.202 -0.534 1.00 44.35 H new ATOM 0 HG13 ILE A 4 1.580 3.312 0.610 1.00 44.35 H new ATOM 0 HG21 ILE A 4 2.048 3.126 3.080 1.00 22.55 H new ATOM 0 HG22 ILE A 4 3.690 2.721 3.636 1.00 22.55 H new ATOM 0 HG23 ILE A 4 3.340 4.348 3.006 1.00 22.55 H new ATOM 0 HD11 ILE A 4 2.170 5.519 -0.263 1.00 1.42 H new ATOM 0 HD12 ILE A 4 2.495 5.432 1.485 1.00 1.42 H new ATOM 0 HD13 ILE A 4 3.838 5.320 0.323 1.00 1.42 H new ATOM 70 N ALA A 5 6.263 1.213 2.170 1.00 61.41 N ATOM 71 CA ALA A 5 7.052 0.522 3.183 1.00 40.14 C ATOM 72 C ALA A 5 8.513 0.957 3.131 1.00 32.31 C ATOM 73 O ALA A 5 9.201 0.976 4.151 1.00 14.33 O ATOM 74 CB ALA A 5 6.941 -0.985 3.002 1.00 51.54 C ATOM 0 H ALA A 5 6.125 0.684 1.309 1.00 61.41 H new ATOM 0 HA ALA A 5 6.655 0.789 4.162 1.00 40.14 H new ATOM 0 HB1 ALA A 5 7.535 -1.488 3.765 1.00 51.54 H new ATOM 0 HB2 ALA A 5 5.898 -1.287 3.097 1.00 51.54 H new ATOM 0 HB3 ALA A 5 7.310 -1.261 2.014 1.00 51.54 H new ATOM 80 N ALA A 6 8.980 1.304 1.936 1.00 23.24 N ATOM 81 CA ALA A 6 10.359 1.739 1.753 1.00 42.22 C ATOM 82 C ALA A 6 10.677 2.942 2.635 1.00 62.21 C ATOM 83 O ALA A 6 11.835 3.185 2.975 1.00 42.11 O ATOM 84 CB ALA A 6 10.617 2.072 0.291 1.00 63.24 C ATOM 0 H ALA A 6 8.424 1.292 1.081 1.00 23.24 H new ATOM 0 HA ALA A 6 11.015 0.920 2.050 1.00 42.22 H new ATOM 0 HB1 ALA A 6 11.651 2.396 0.168 1.00 63.24 H new ATOM 0 HB2 ALA A 6 10.439 1.188 -0.321 1.00 63.24 H new ATOM 0 HB3 ALA A 6 9.947 2.872 -0.024 1.00 63.24 H new ATOM 90 N ARG A 7 9.643 3.691 3.002 1.00 74.05 N ATOM 91 CA ARG A 7 9.813 4.870 3.843 1.00 73.53 C ATOM 92 C ARG A 7 9.577 4.528 5.311 1.00 1.11 C ATOM 93 O ARG A 7 10.084 5.204 6.205 1.00 21.03 O ATOM 94 CB ARG A 7 8.853 5.977 3.405 1.00 12.42 C ATOM 95 CG ARG A 7 9.546 7.289 3.075 1.00 4.14 C ATOM 96 CD ARG A 7 8.554 8.438 2.989 1.00 74.23 C ATOM 97 NE ARG A 7 8.662 9.160 1.724 1.00 13.21 N ATOM 98 CZ ARG A 7 7.978 10.266 1.448 1.00 24.54 C ATOM 99 NH1 ARG A 7 7.143 10.773 2.344 1.00 74.20 N ATOM 100 NH2 ARG A 7 8.131 10.866 0.275 1.00 11.00 N ATOM 0 H ARG A 7 8.678 3.503 2.730 1.00 74.05 H new ATOM 0 HA ARG A 7 10.838 5.222 3.730 1.00 73.53 H new ATOM 0 HB2 ARG A 7 8.297 5.639 2.530 1.00 12.42 H new ATOM 0 HB3 ARG A 7 8.125 6.150 4.198 1.00 12.42 H new ATOM 0 HG2 ARG A 7 10.293 7.509 3.838 1.00 4.14 H new ATOM 0 HG3 ARG A 7 10.076 7.193 2.127 1.00 4.14 H new ATOM 0 HD2 ARG A 7 7.541 8.052 3.101 1.00 74.23 H new ATOM 0 HD3 ARG A 7 8.725 9.127 3.816 1.00 74.23 H new ATOM 0 HE ARG A 7 9.297 8.796 1.014 1.00 13.21 H new ATOM 0 HH11 ARG A 7 7.024 10.314 3.247 1.00 74.20 H new ATOM 0 HH12 ARG A 7 6.619 11.622 2.130 1.00 74.20 H new ATOM 0 HH21 ARG A 7 8.774 10.479 -0.416 1.00 11.00 H new ATOM 0 HH22 ARG A 7 7.606 11.715 0.064 1.00 11.00 H new ATOM 114 N GLY A 8 8.803 3.474 5.552 1.00 40.04 N ATOM 115 CA GLY A 8 8.513 3.062 6.912 1.00 21.35 C ATOM 116 C GLY A 8 9.731 2.502 7.621 1.00 72.14 C ATOM 117 O GLY A 8 9.856 2.618 8.840 1.00 44.43 O ATOM 0 H GLY A 8 8.372 2.898 4.829 1.00 40.04 H new ATOM 0 HA2 GLY A 8 8.130 3.915 7.473 1.00 21.35 H new ATOM 0 HA3 GLY A 8 7.725 2.309 6.900 1.00 21.35 H new ATOM 121 N ARG A 9 10.630 1.891 6.855 1.00 15.05 N ATOM 122 CA ARG A 9 11.842 1.308 7.418 1.00 51.33 C ATOM 123 C ARG A 9 12.930 2.366 7.578 1.00 52.20 C ATOM 124 O ARG A 9 13.754 2.290 8.489 1.00 40.04 O ATOM 125 CB ARG A 9 12.348 0.172 6.527 1.00 53.10 C ATOM 126 CG ARG A 9 13.500 -0.611 7.134 1.00 21.03 C ATOM 127 CD ARG A 9 14.365 -1.252 6.060 1.00 22.04 C ATOM 128 NE ARG A 9 14.552 -2.682 6.290 1.00 65.12 N ATOM 129 CZ ARG A 9 14.918 -3.537 5.341 1.00 5.12 C ATOM 130 NH1 ARG A 9 15.136 -3.108 4.106 1.00 52.14 N ATOM 131 NH2 ARG A 9 15.068 -4.824 5.628 1.00 44.22 N ATOM 0 H ARG A 9 10.542 1.787 5.844 1.00 15.05 H new ATOM 0 HA ARG A 9 11.600 0.908 8.403 1.00 51.33 H new ATOM 0 HB2 ARG A 9 11.524 -0.511 6.321 1.00 53.10 H new ATOM 0 HB3 ARG A 9 12.666 0.586 5.570 1.00 53.10 H new ATOM 0 HG2 ARG A 9 14.110 0.053 7.746 1.00 21.03 H new ATOM 0 HG3 ARG A 9 13.108 -1.383 7.796 1.00 21.03 H new ATOM 0 HD2 ARG A 9 13.904 -1.099 5.084 1.00 22.04 H new ATOM 0 HD3 ARG A 9 15.337 -0.759 6.035 1.00 22.04 H new ATOM 0 HE ARG A 9 14.393 -3.044 7.230 1.00 65.12 H new ATOM 0 HH11 ARG A 9 15.023 -2.119 3.882 1.00 52.14 H new ATOM 0 HH12 ARG A 9 15.417 -3.767 3.379 1.00 52.14 H new ATOM 0 HH21 ARG A 9 14.902 -5.157 6.578 1.00 44.22 H new ATOM 0 HH22 ARG A 9 15.349 -5.480 4.899 1.00 44.22 H new ATOM 145 N ALA A 10 12.926 3.352 6.686 1.00 35.34 N ATOM 146 CA ALA A 10 13.910 4.425 6.730 1.00 45.32 C ATOM 147 C ALA A 10 13.832 5.189 8.047 1.00 1.41 C ATOM 148 O ALA A 10 14.847 5.652 8.568 1.00 12.24 O ATOM 149 CB ALA A 10 13.711 5.372 5.556 1.00 41.24 C ATOM 0 H ALA A 10 12.252 3.429 5.925 1.00 35.34 H new ATOM 0 HA ALA A 10 14.901 3.978 6.658 1.00 45.32 H new ATOM 0 HB1 ALA A 10 14.453 6.169 5.602 1.00 41.24 H new ATOM 0 HB2 ALA A 10 13.826 4.822 4.622 1.00 41.24 H new ATOM 0 HB3 ALA A 10 12.711 5.804 5.602 1.00 41.24 H new ATOM 155 N ARG A 11 12.621 5.318 8.580 1.00 44.31 N ATOM 156 CA ARG A 11 12.411 6.028 9.836 1.00 41.32 C ATOM 157 C ARG A 11 13.344 5.500 10.922 1.00 51.33 C ATOM 158 O ARG A 11 14.287 6.180 11.329 1.00 20.34 O ATOM 159 CB ARG A 11 10.956 5.890 10.287 1.00 71.01 C ATOM 160 CG ARG A 11 10.577 6.831 11.419 1.00 60.02 C ATOM 161 CD ARG A 11 9.125 6.648 11.833 1.00 24.13 C ATOM 162 NE ARG A 11 8.396 7.913 11.844 1.00 34.25 N ATOM 163 CZ ARG A 11 7.915 8.494 10.751 1.00 71.32 C ATOM 164 NH1 ARG A 11 8.086 7.926 9.565 1.00 75.30 N ATOM 165 NH2 ARG A 11 7.261 9.645 10.842 1.00 24.12 N ATOM 0 H ARG A 11 11.771 4.940 8.162 1.00 44.31 H new ATOM 0 HA ARG A 11 12.635 7.082 9.670 1.00 41.32 H new ATOM 0 HB2 ARG A 11 10.301 6.077 9.436 1.00 71.01 H new ATOM 0 HB3 ARG A 11 10.779 4.863 10.605 1.00 71.01 H new ATOM 0 HG2 ARG A 11 11.226 6.651 12.276 1.00 60.02 H new ATOM 0 HG3 ARG A 11 10.740 7.862 11.106 1.00 60.02 H new ATOM 0 HD2 ARG A 11 8.637 5.954 11.148 1.00 24.13 H new ATOM 0 HD3 ARG A 11 9.085 6.198 12.825 1.00 24.13 H new ATOM 0 HE ARG A 11 8.248 8.376 12.741 1.00 34.25 H new ATOM 0 HH11 ARG A 11 8.588 7.041 9.491 1.00 75.30 H new ATOM 0 HH12 ARG A 11 7.716 8.374 8.727 1.00 75.30 H new ATOM 0 HH21 ARG A 11 7.127 10.085 11.752 1.00 24.12 H new ATOM 0 HH22 ARG A 11 6.892 10.090 10.001 1.00 24.12 H new ATOM 179 N LEU A 12 13.074 4.285 11.386 1.00 2.45 N ATOM 180 CA LEU A 12 13.889 3.666 12.426 1.00 72.51 C ATOM 181 C LEU A 12 15.363 3.668 12.036 1.00 64.02 C ATOM 182 O LEU A 12 16.240 3.825 12.886 1.00 62.43 O ATOM 183 CB LEU A 12 13.420 2.232 12.682 1.00 13.32 C ATOM 184 CG LEU A 12 11.927 2.055 12.962 1.00 71.55 C ATOM 185 CD1 LEU A 12 11.575 0.579 13.061 1.00 35.53 C ATOM 186 CD2 LEU A 12 11.532 2.786 14.236 1.00 51.41 C ATOM 0 H LEU A 12 12.298 3.709 11.059 1.00 2.45 H new ATOM 0 HA LEU A 12 13.773 4.249 13.340 1.00 72.51 H new ATOM 0 HB2 LEU A 12 13.681 1.625 11.815 1.00 13.32 H new ATOM 0 HB3 LEU A 12 13.978 1.834 13.530 1.00 13.32 H new ATOM 0 HG LEU A 12 11.368 2.487 12.132 1.00 71.55 H new ATOM 0 HD11 LEU A 12 10.509 0.472 13.261 1.00 35.53 H new ATOM 0 HD12 LEU A 12 11.820 0.083 12.122 1.00 35.53 H new ATOM 0 HD13 LEU A 12 12.143 0.123 13.872 1.00 35.53 H new ATOM 0 HD21 LEU A 12 10.466 2.649 14.419 1.00 51.41 H new ATOM 0 HD22 LEU A 12 12.099 2.385 15.076 1.00 51.41 H new ATOM 0 HD23 LEU A 12 11.747 3.849 14.127 1.00 51.41 H new ATOM 198 N ARG A 13 15.629 3.495 10.745 1.00 0.41 N ATOM 199 CA ARG A 13 16.997 3.479 10.242 1.00 24.33 C ATOM 200 C ARG A 13 17.719 4.779 10.586 1.00 73.33 C ATOM 201 O ARG A 13 18.743 4.770 11.268 1.00 51.32 O ATOM 202 CB ARG A 13 17.004 3.264 8.728 1.00 62.04 C ATOM 203 CG ARG A 13 18.245 2.548 8.220 1.00 73.54 C ATOM 204 CD ARG A 13 19.503 3.360 8.480 1.00 43.30 C ATOM 205 NE ARG A 13 20.526 3.126 7.464 1.00 22.44 N ATOM 206 CZ ARG A 13 21.198 1.986 7.348 1.00 61.33 C ATOM 207 NH1 ARG A 13 20.956 0.982 8.179 1.00 20.40 N ATOM 208 NH2 ARG A 13 22.114 1.848 6.398 1.00 41.34 N ATOM 0 H ARG A 13 14.915 3.364 10.029 1.00 0.41 H new ATOM 0 HA ARG A 13 17.524 2.654 10.721 1.00 24.33 H new ATOM 0 HB2 ARG A 13 16.122 2.688 8.447 1.00 62.04 H new ATOM 0 HB3 ARG A 13 16.924 4.231 8.232 1.00 62.04 H new ATOM 0 HG2 ARG A 13 18.331 1.577 8.707 1.00 73.54 H new ATOM 0 HG3 ARG A 13 18.146 2.361 7.151 1.00 73.54 H new ATOM 0 HD2 ARG A 13 19.251 4.420 8.504 1.00 43.30 H new ATOM 0 HD3 ARG A 13 19.902 3.105 9.462 1.00 43.30 H new ATOM 0 HE ARG A 13 20.736 3.879 6.808 1.00 22.44 H new ATOM 0 HH11 ARG A 13 20.252 1.083 8.910 1.00 20.40 H new ATOM 0 HH12 ARG A 13 21.474 0.108 8.087 1.00 20.40 H new ATOM 0 HH21 ARG A 13 22.303 2.618 5.756 1.00 41.34 H new ATOM 0 HH22 ARG A 13 22.629 0.972 6.310 1.00 41.34 H new ATOM 222 N ALA A 14 17.177 5.894 10.108 1.00 51.13 N ATOM 223 CA ALA A 14 17.768 7.202 10.365 1.00 35.42 C ATOM 224 C ALA A 14 17.854 7.480 11.862 1.00 23.40 C ATOM 225 O ALA A 14 18.848 8.020 12.347 1.00 44.33 O ATOM 226 CB ALA A 14 16.963 8.290 9.670 1.00 43.20 C ATOM 0 H ALA A 14 16.330 5.918 9.541 1.00 51.13 H new ATOM 0 HA ALA A 14 18.781 7.202 9.963 1.00 35.42 H new ATOM 0 HB1 ALA A 14 17.415 9.261 9.870 1.00 43.20 H new ATOM 0 HB2 ALA A 14 16.956 8.107 8.595 1.00 43.20 H new ATOM 0 HB3 ALA A 14 15.940 8.282 10.046 1.00 43.20 H new