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 4.084 -0.966 -1.720 1.00 31.23 N ATOM 14 CA PRO A 2 5.507 -1.100 -2.043 1.00 5.04 C ATOM 15 C PRO A 2 6.244 0.234 -1.979 1.00 61.33 C ATOM 16 O PRO A 2 7.389 0.300 -1.533 1.00 3.35 O ATOM 17 CB PRO A 2 5.497 -1.638 -3.476 1.00 2.43 C ATOM 18 CG PRO A 2 4.198 -1.180 -4.043 1.00 11.42 C ATOM 19 CD PRO A 2 3.224 -1.176 -2.897 1.00 3.31 C ATOM 0 HA PRO A 2 6.027 -1.746 -1.335 1.00 5.04 H new ATOM 0 HB2 PRO A 2 6.338 -1.250 -4.050 1.00 2.43 H new ATOM 0 HB3 PRO A 2 5.574 -2.725 -3.491 1.00 2.43 H new ATOM 0 HG2 PRO A 2 4.292 -0.185 -4.479 1.00 11.42 H new ATOM 0 HG3 PRO A 2 3.863 -1.846 -4.838 1.00 11.42 H new ATOM 0 HD2 PRO A 2 2.484 -0.382 -3.001 1.00 3.31 H new ATOM 0 HD3 PRO A 2 2.676 -2.116 -2.832 1.00 3.31 H new ATOM 27 N ARG A 3 5.580 1.293 -2.429 1.00 14.34 N ATOM 28 CA ARG A 3 6.172 2.625 -2.423 1.00 42.34 C ATOM 29 C ARG A 3 5.868 3.351 -1.116 1.00 21.53 C ATOM 30 O ARG A 3 6.345 4.463 -0.886 1.00 74.51 O ATOM 31 CB ARG A 3 5.650 3.444 -3.606 1.00 63.50 C ATOM 32 CG ARG A 3 5.953 2.820 -4.959 1.00 10.03 C ATOM 33 CD ARG A 3 7.450 2.689 -5.189 1.00 44.34 C ATOM 34 NE ARG A 3 8.140 3.969 -5.045 1.00 61.54 N ATOM 35 CZ ARG A 3 9.448 4.122 -5.218 1.00 24.54 C ATOM 36 NH1 ARG A 3 10.204 3.081 -5.539 1.00 23.32 N ATOM 37 NH2 ARG A 3 10.003 5.318 -5.069 1.00 71.20 N ATOM 0 H ARG A 3 4.632 1.255 -2.802 1.00 14.34 H new ATOM 0 HA ARG A 3 7.253 2.514 -2.514 1.00 42.34 H new ATOM 0 HB2 ARG A 3 4.572 3.566 -3.505 1.00 63.50 H new ATOM 0 HB3 ARG A 3 6.089 4.441 -3.569 1.00 63.50 H new ATOM 0 HG2 ARG A 3 5.487 1.837 -5.020 1.00 10.03 H new ATOM 0 HG3 ARG A 3 5.514 3.430 -5.749 1.00 10.03 H new ATOM 0 HD2 ARG A 3 7.864 1.972 -4.480 1.00 44.34 H new ATOM 0 HD3 ARG A 3 7.630 2.290 -6.187 1.00 44.34 H new ATOM 0 HE ARG A 3 7.587 4.790 -4.798 1.00 61.54 H new ATOM 0 HH11 ARG A 3 9.781 2.160 -5.654 1.00 23.32 H new ATOM 0 HH12 ARG A 3 11.208 3.201 -5.671 1.00 23.32 H new ATOM 0 HH21 ARG A 3 9.425 6.121 -4.821 1.00 71.20 H new ATOM 0 HH22 ARG A 3 11.008 5.434 -5.202 1.00 71.20 H new ATOM 51 N ILE A 4 5.072 2.714 -0.263 1.00 61.24 N ATOM 52 CA ILE A 4 4.705 3.298 1.021 1.00 44.14 C ATOM 53 C ILE A 4 5.552 2.720 2.150 1.00 73.34 C ATOM 54 O ILE A 4 5.752 3.362 3.180 1.00 25.30 O ATOM 55 CB ILE A 4 3.217 3.067 1.340 1.00 74.52 C ATOM 56 CG1 ILE A 4 2.335 3.777 0.311 1.00 43.25 C ATOM 57 CG2 ILE A 4 2.895 3.551 2.746 1.00 53.25 C ATOM 58 CD1 ILE A 4 2.484 5.282 0.325 1.00 54.53 C ATOM 0 H ILE A 4 4.669 1.793 -0.438 1.00 61.24 H new ATOM 0 HA ILE A 4 4.889 4.370 0.944 1.00 44.14 H new ATOM 0 HB ILE A 4 3.012 1.998 1.289 1.00 74.52 H new ATOM 0 HG12 ILE A 4 2.580 3.405 -0.684 1.00 43.25 H new ATOM 0 HG13 ILE A 4 1.292 3.521 0.500 1.00 43.25 H new ATOM 0 HG21 ILE A 4 1.839 3.381 2.957 1.00 53.25 H new ATOM 0 HG22 ILE A 4 3.502 3.003 3.467 1.00 53.25 H new ATOM 0 HG23 ILE A 4 3.113 4.616 2.823 1.00 53.25 H new ATOM 0 HD11 ILE A 4 1.830 5.719 -0.429 1.00 54.53 H new ATOM 0 HD12 ILE A 4 2.211 5.665 1.308 1.00 54.53 H new ATOM 0 HD13 ILE A 4 3.518 5.547 0.106 1.00 54.53 H new ATOM 70 N ALA A 5 6.047 1.503 1.947 1.00 41.22 N ATOM 71 CA ALA A 5 6.875 0.839 2.946 1.00 44.52 C ATOM 72 C ALA A 5 8.328 1.290 2.842 1.00 44.34 C ATOM 73 O ALA A 5 9.054 1.313 3.835 1.00 13.54 O ATOM 74 CB ALA A 5 6.777 -0.671 2.794 1.00 62.25 C ATOM 0 H ALA A 5 5.889 0.957 1.100 1.00 41.22 H new ATOM 0 HA ALA A 5 6.505 1.118 3.932 1.00 44.52 H new ATOM 0 HB1 ALA A 5 7.400 -1.154 3.547 1.00 62.25 H new ATOM 0 HB2 ALA A 5 5.741 -0.984 2.926 1.00 62.25 H new ATOM 0 HB3 ALA A 5 7.119 -0.960 1.800 1.00 62.25 H new ATOM 80 N ALA A 6 8.747 1.647 1.632 1.00 41.03 N ATOM 81 CA ALA A 6 10.113 2.098 1.398 1.00 3.35 C ATOM 82 C ALA A 6 10.444 3.315 2.256 1.00 14.03 C ATOM 83 O ALA A 6 11.608 3.575 2.559 1.00 22.25 O ATOM 84 CB ALA A 6 10.320 2.417 -0.075 1.00 15.11 C ATOM 0 H ALA A 6 8.159 1.632 0.798 1.00 41.03 H new ATOM 0 HA ALA A 6 10.788 1.291 1.682 1.00 3.35 H new ATOM 0 HB1 ALA A 6 11.345 2.753 -0.234 1.00 15.11 H new ATOM 0 HB2 ALA A 6 10.134 1.523 -0.670 1.00 15.11 H new ATOM 0 HB3 ALA A 6 9.629 3.204 -0.377 1.00 15.11 H new ATOM 90 N ARG A 7 9.412 4.058 2.644 1.00 71.24 N ATOM 91 CA ARG A 7 9.593 5.249 3.465 1.00 24.50 C ATOM 92 C ARG A 7 9.401 4.924 4.943 1.00 22.45 C ATOM 93 O ARG A 7 9.924 5.617 5.815 1.00 64.40 O ATOM 94 CB ARG A 7 8.611 6.342 3.040 1.00 20.33 C ATOM 95 CG ARG A 7 9.287 7.599 2.518 1.00 62.30 C ATOM 96 CD ARG A 7 8.387 8.816 2.661 1.00 60.11 C ATOM 97 NE ARG A 7 7.952 9.330 1.365 1.00 13.01 N ATOM 98 CZ ARG A 7 6.919 10.151 1.209 1.00 5.45 C ATOM 99 NH1 ARG A 7 6.221 10.550 2.263 1.00 14.22 N ATOM 100 NH2 ARG A 7 6.585 10.576 -0.002 1.00 52.13 N ATOM 0 H ARG A 7 8.442 3.856 2.403 1.00 71.24 H new ATOM 0 HA ARG A 7 10.611 5.609 3.319 1.00 24.50 H new ATOM 0 HB2 ARG A 7 7.952 5.946 2.267 1.00 20.33 H new ATOM 0 HB3 ARG A 7 7.982 6.604 3.891 1.00 20.33 H new ATOM 0 HG2 ARG A 7 10.216 7.766 3.062 1.00 62.30 H new ATOM 0 HG3 ARG A 7 9.552 7.462 1.470 1.00 62.30 H new ATOM 0 HD2 ARG A 7 7.514 8.553 3.258 1.00 60.11 H new ATOM 0 HD3 ARG A 7 8.919 9.599 3.202 1.00 60.11 H new ATOM 0 HE ARG A 7 8.469 9.043 0.534 1.00 13.01 H new ATOM 0 HH11 ARG A 7 6.477 10.227 3.196 1.00 14.22 H new ATOM 0 HH12 ARG A 7 5.428 11.180 2.141 1.00 14.22 H new ATOM 0 HH21 ARG A 7 7.121 10.273 -0.815 1.00 52.13 H new ATOM 0 HH22 ARG A 7 5.792 11.206 -0.121 1.00 52.13 H new ATOM 114 N GLY A 8 8.646 3.864 5.218 1.00 0.22 N ATOM 115 CA GLY A 8 8.398 3.466 6.592 1.00 54.54 C ATOM 116 C GLY A 8 9.637 2.918 7.270 1.00 44.42 C ATOM 117 O GLY A 8 9.815 3.080 8.477 1.00 21.53 O ATOM 0 H GLY A 8 8.202 3.274 4.514 1.00 0.22 H new ATOM 0 HA2 GLY A 8 8.029 4.324 7.154 1.00 54.54 H new ATOM 0 HA3 GLY A 8 7.613 2.710 6.612 1.00 54.54 H new ATOM 121 N ARG A 9 10.496 2.267 6.492 1.00 5.43 N ATOM 122 CA ARG A 9 11.725 1.691 7.026 1.00 73.00 C ATOM 123 C ARG A 9 12.805 2.758 7.178 1.00 12.01 C ATOM 124 O ARG A 9 13.670 2.660 8.048 1.00 70.14 O ATOM 125 CB ARG A 9 12.225 0.570 6.114 1.00 64.33 C ATOM 126 CG ARG A 9 13.417 -0.188 6.677 1.00 12.41 C ATOM 127 CD ARG A 9 13.097 -1.661 6.877 1.00 53.32 C ATOM 128 NE ARG A 9 14.254 -2.412 7.355 1.00 31.32 N ATOM 129 CZ ARG A 9 14.310 -3.739 7.378 1.00 20.31 C ATOM 130 NH1 ARG A 9 13.280 -4.457 6.952 1.00 62.25 N ATOM 131 NH2 ARG A 9 15.398 -4.351 7.828 1.00 43.21 N ATOM 0 H ARG A 9 10.364 2.125 5.491 1.00 5.43 H new ATOM 0 HA ARG A 9 11.506 1.279 8.011 1.00 73.00 H new ATOM 0 HB2 ARG A 9 11.410 -0.132 5.935 1.00 64.33 H new ATOM 0 HB3 ARG A 9 12.498 0.994 5.148 1.00 64.33 H new ATOM 0 HG2 ARG A 9 14.266 -0.088 6.001 1.00 12.41 H new ATOM 0 HG3 ARG A 9 13.714 0.253 7.628 1.00 12.41 H new ATOM 0 HD2 ARG A 9 12.280 -1.761 7.591 1.00 53.32 H new ATOM 0 HD3 ARG A 9 12.751 -2.088 5.936 1.00 53.32 H new ATOM 0 HE ARG A 9 15.063 -1.889 7.690 1.00 31.32 H new ATOM 0 HH11 ARG A 9 12.442 -3.991 6.605 1.00 62.25 H new ATOM 0 HH12 ARG A 9 13.326 -5.476 6.971 1.00 62.25 H new ATOM 0 HH21 ARG A 9 16.193 -3.802 8.157 1.00 43.21 H new ATOM 0 HH22 ARG A 9 15.440 -5.370 7.845 1.00 43.21 H new ATOM 145 N ALA A 10 12.748 3.776 6.326 1.00 55.21 N ATOM 146 CA ALA A 10 13.719 4.862 6.366 1.00 23.15 C ATOM 147 C ALA A 10 13.804 5.471 7.762 1.00 63.30 C ATOM 148 O ALA A 10 14.883 5.848 8.220 1.00 31.12 O ATOM 149 CB ALA A 10 13.361 5.930 5.344 1.00 73.34 C ATOM 0 H ALA A 10 12.039 3.871 5.599 1.00 55.21 H new ATOM 0 HA ALA A 10 14.697 4.450 6.117 1.00 23.15 H new ATOM 0 HB1 ALA A 10 14.095 6.734 5.386 1.00 73.34 H new ATOM 0 HB2 ALA A 10 13.359 5.492 4.346 1.00 73.34 H new ATOM 0 HB3 ALA A 10 12.372 6.330 5.567 1.00 73.34 H new ATOM 155 N ARG A 11 12.661 5.564 8.432 1.00 14.24 N ATOM 156 CA ARG A 11 12.606 6.129 9.775 1.00 1.42 C ATOM 157 C ARG A 11 13.628 5.459 10.689 1.00 40.20 C ATOM 158 O ARG A 11 14.631 6.066 11.067 1.00 0.11 O ATOM 159 CB ARG A 11 11.202 5.972 10.361 1.00 12.31 C ATOM 160 CG ARG A 11 10.975 6.785 11.625 1.00 31.24 C ATOM 161 CD ARG A 11 9.568 6.588 12.169 1.00 5.03 C ATOM 162 NE ARG A 11 8.606 7.485 11.536 1.00 41.43 N ATOM 163 CZ ARG A 11 8.565 8.794 11.758 1.00 13.35 C ATOM 164 NH1 ARG A 11 9.427 9.355 12.595 1.00 42.44 N ATOM 165 NH2 ARG A 11 7.659 9.545 11.144 1.00 63.21 N ATOM 0 H ARG A 11 11.760 5.255 8.067 1.00 14.24 H new ATOM 0 HA ARG A 11 12.846 7.190 9.705 1.00 1.42 H new ATOM 0 HB2 ARG A 11 10.469 6.270 9.611 1.00 12.31 H new ATOM 0 HB3 ARG A 11 11.024 4.919 10.580 1.00 12.31 H new ATOM 0 HG2 ARG A 11 11.703 6.494 12.382 1.00 31.24 H new ATOM 0 HG3 ARG A 11 11.140 7.842 11.414 1.00 31.24 H new ATOM 0 HD2 ARG A 11 9.259 5.555 12.010 1.00 5.03 H new ATOM 0 HD3 ARG A 11 9.568 6.758 13.246 1.00 5.03 H new ATOM 0 HE ARG A 11 7.928 7.085 10.888 1.00 41.43 H new ATOM 0 HH11 ARG A 11 10.124 8.781 13.070 1.00 42.44 H new ATOM 0 HH12 ARG A 11 9.393 10.360 12.764 1.00 42.44 H new ATOM 0 HH21 ARG A 11 6.993 9.117 10.501 1.00 63.21 H new ATOM 0 HH22 ARG A 11 7.629 10.550 11.315 1.00 63.21 H new ATOM 179 N LEU A 12 13.367 4.205 11.041 1.00 54.14 N ATOM 180 CA LEU A 12 14.263 3.452 11.911 1.00 61.23 C ATOM 181 C LEU A 12 15.692 3.483 11.378 1.00 21.04 C ATOM 182 O LEU A 12 16.653 3.426 12.147 1.00 55.35 O ATOM 183 CB LEU A 12 13.785 2.004 12.037 1.00 4.25 C ATOM 184 CG LEU A 12 12.346 1.812 12.515 1.00 34.21 C ATOM 185 CD1 LEU A 12 11.918 0.362 12.350 1.00 33.23 C ATOM 186 CD2 LEU A 12 12.201 2.251 13.965 1.00 64.11 C ATOM 0 H LEU A 12 12.542 3.688 10.737 1.00 54.14 H new ATOM 0 HA LEU A 12 14.252 3.919 12.896 1.00 61.23 H new ATOM 0 HB2 LEU A 12 13.891 1.521 11.065 1.00 4.25 H new ATOM 0 HB3 LEU A 12 14.448 1.482 12.727 1.00 4.25 H new ATOM 0 HG LEU A 12 11.694 2.434 11.902 1.00 34.21 H new ATOM 0 HD11 LEU A 12 10.891 0.244 12.695 1.00 33.23 H new ATOM 0 HD12 LEU A 12 11.982 0.081 11.299 1.00 33.23 H new ATOM 0 HD13 LEU A 12 12.574 -0.280 12.937 1.00 33.23 H new ATOM 0 HD21 LEU A 12 11.170 2.107 14.287 1.00 64.11 H new ATOM 0 HD22 LEU A 12 12.864 1.656 14.593 1.00 64.11 H new ATOM 0 HD23 LEU A 12 12.465 3.305 14.054 1.00 64.11 H new ATOM 198 N ARG A 13 15.825 3.575 10.059 1.00 12.52 N ATOM 199 CA ARG A 13 17.137 3.615 9.424 1.00 15.53 C ATOM 200 C ARG A 13 17.960 4.787 9.951 1.00 52.55 C ATOM 201 O ARG A 13 19.079 4.607 10.428 1.00 5.33 O ATOM 202 CB ARG A 13 16.988 3.724 7.905 1.00 24.45 C ATOM 203 CG ARG A 13 18.133 3.086 7.135 1.00 31.20 C ATOM 204 CD ARG A 13 19.455 3.780 7.425 1.00 74.31 C ATOM 205 NE ARG A 13 20.372 3.706 6.291 1.00 53.34 N ATOM 206 CZ ARG A 13 20.984 2.590 5.912 1.00 72.04 C ATOM 207 NH1 ARG A 13 20.777 1.459 6.573 1.00 42.43 N ATOM 208 NH2 ARG A 13 21.804 2.603 4.869 1.00 43.12 N ATOM 0 H ARG A 13 15.040 3.623 9.409 1.00 12.52 H new ATOM 0 HA ARG A 13 17.659 2.689 9.666 1.00 15.53 H new ATOM 0 HB2 ARG A 13 16.052 3.253 7.605 1.00 24.45 H new ATOM 0 HB3 ARG A 13 16.917 4.776 7.630 1.00 24.45 H new ATOM 0 HG2 ARG A 13 18.209 2.032 7.401 1.00 31.20 H new ATOM 0 HG3 ARG A 13 17.924 3.131 6.066 1.00 31.20 H new ATOM 0 HD2 ARG A 13 19.269 4.825 7.673 1.00 74.31 H new ATOM 0 HD3 ARG A 13 19.921 3.323 8.298 1.00 74.31 H new ATOM 0 HE ARG A 13 20.552 4.558 5.761 1.00 53.34 H new ATOM 0 HH11 ARG A 13 20.146 1.445 7.375 1.00 42.43 H new ATOM 0 HH12 ARG A 13 21.248 0.603 6.280 1.00 42.43 H new ATOM 0 HH21 ARG A 13 21.965 3.471 4.357 1.00 43.12 H new ATOM 0 HH22 ARG A 13 22.274 1.745 4.579 1.00 43.12 H new ATOM 222 N ALA A 14 17.397 5.988 9.859 1.00 71.15 N ATOM 223 CA ALA A 14 18.078 7.189 10.326 1.00 32.34 C ATOM 224 C ALA A 14 18.141 7.226 11.850 1.00 55.14 C ATOM 225 O ALA A 14 19.139 7.652 12.430 1.00 44.04 O ATOM 226 CB ALA A 14 17.380 8.432 9.794 1.00 5.04 C ATOM 0 H ALA A 14 16.471 6.154 9.465 1.00 71.15 H new ATOM 0 HA ALA A 14 19.100 7.169 9.946 1.00 32.34 H new ATOM 0 HB1 ALA A 14 17.899 9.322 10.151 1.00 5.04 H new ATOM 0 HB2 ALA A 14 17.392 8.417 8.704 1.00 5.04 H new ATOM 0 HB3 ALA A 14 16.348 8.449 10.146 1.00 5.04 H new