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 4.056 -0.489 -2.209 1.00 30.01 N ATOM 14 CA PRO A 2 5.503 -0.721 -2.173 1.00 31.23 C ATOM 15 C PRO A 2 6.296 0.577 -2.068 1.00 11.00 C ATOM 16 O PRO A 2 7.441 0.581 -1.617 1.00 25.10 O ATOM 17 CB PRO A 2 5.785 -1.414 -3.508 1.00 54.45 C ATOM 18 CG PRO A 2 4.685 -0.964 -4.408 1.00 3.24 C ATOM 19 CD PRO A 2 3.477 -0.789 -3.529 1.00 63.23 C ATOM 0 HA PRO A 2 5.800 -1.306 -1.303 1.00 31.23 H new ATOM 0 HB2 PRO A 2 6.761 -1.131 -3.903 1.00 54.45 H new ATOM 0 HB3 PRO A 2 5.788 -2.498 -3.398 1.00 54.45 H new ATOM 0 HG2 PRO A 2 4.945 -0.029 -4.905 1.00 3.24 H new ATOM 0 HG3 PRO A 2 4.495 -1.699 -5.190 1.00 3.24 H new ATOM 0 HD2 PRO A 2 2.838 0.021 -3.881 1.00 63.23 H new ATOM 0 HD3 PRO A 2 2.865 -1.690 -3.504 1.00 63.23 H new ATOM 27 N ARG A 3 5.679 1.677 -2.487 1.00 2.22 N ATOM 28 CA ARG A 3 6.328 2.982 -2.441 1.00 25.35 C ATOM 29 C ARG A 3 6.057 3.677 -1.110 1.00 12.32 C ATOM 30 O ARG A 3 6.580 4.760 -0.846 1.00 41.33 O ATOM 31 CB ARG A 3 5.841 3.859 -3.595 1.00 65.24 C ATOM 32 CG ARG A 3 6.098 3.257 -4.967 1.00 71.14 C ATOM 33 CD ARG A 3 7.386 3.788 -5.577 1.00 21.23 C ATOM 34 NE ARG A 3 8.492 3.765 -4.624 1.00 25.24 N ATOM 35 CZ ARG A 3 9.227 2.686 -4.376 1.00 34.22 C ATOM 36 NH1 ARG A 3 8.973 1.548 -5.008 1.00 4.13 N ATOM 37 NH2 ARG A 3 10.217 2.744 -3.494 1.00 71.25 N ATOM 0 H ARG A 3 4.731 1.691 -2.862 1.00 2.22 H new ATOM 0 HA ARG A 3 7.403 2.829 -2.539 1.00 25.35 H new ATOM 0 HB2 ARG A 3 4.772 4.036 -3.480 1.00 65.24 H new ATOM 0 HB3 ARG A 3 6.333 4.830 -3.535 1.00 65.24 H new ATOM 0 HG2 ARG A 3 6.154 2.172 -4.884 1.00 71.14 H new ATOM 0 HG3 ARG A 3 5.261 3.484 -5.627 1.00 71.14 H new ATOM 0 HD2 ARG A 3 7.647 3.190 -6.450 1.00 21.23 H new ATOM 0 HD3 ARG A 3 7.228 4.809 -5.925 1.00 21.23 H new ATOM 0 HE ARG A 3 8.713 4.624 -4.121 1.00 25.24 H new ATOM 0 HH11 ARG A 3 8.212 1.500 -5.686 1.00 4.13 H new ATOM 0 HH12 ARG A 3 9.538 0.721 -4.816 1.00 4.13 H new ATOM 0 HH21 ARG A 3 10.414 3.617 -3.006 1.00 71.25 H new ATOM 0 HH22 ARG A 3 10.780 1.915 -3.305 1.00 71.25 H new ATOM 51 N ILE A 4 5.236 3.048 -0.276 1.00 54.01 N ATOM 52 CA ILE A 4 4.895 3.606 1.027 1.00 43.33 C ATOM 53 C ILE A 4 5.712 2.952 2.136 1.00 64.15 C ATOM 54 O ILE A 4 5.943 3.550 3.186 1.00 32.01 O ATOM 55 CB ILE A 4 3.397 3.434 1.339 1.00 51.42 C ATOM 56 CG1 ILE A 4 2.551 4.220 0.335 1.00 61.05 C ATOM 57 CG2 ILE A 4 3.097 3.886 2.760 1.00 12.32 C ATOM 58 CD1 ILE A 4 1.062 4.018 0.509 1.00 23.55 C ATOM 0 H ILE A 4 4.794 2.151 -0.479 1.00 54.01 H new ATOM 0 HA ILE A 4 5.129 4.670 0.985 1.00 43.33 H new ATOM 0 HB ILE A 4 3.142 2.378 1.253 1.00 51.42 H new ATOM 0 HG12 ILE A 4 2.779 5.281 0.433 1.00 61.05 H new ATOM 0 HG13 ILE A 4 2.834 3.925 -0.675 1.00 61.05 H new ATOM 0 HG21 ILE A 4 2.034 3.758 2.966 1.00 12.32 H new ATOM 0 HG22 ILE A 4 3.677 3.287 3.462 1.00 12.32 H new ATOM 0 HG23 ILE A 4 3.365 4.937 2.872 1.00 12.32 H new ATOM 0 HD11 ILE A 4 0.526 4.605 -0.236 1.00 23.55 H new ATOM 0 HD12 ILE A 4 0.821 2.963 0.382 1.00 23.55 H new ATOM 0 HD13 ILE A 4 0.765 4.340 1.507 1.00 23.55 H new ATOM 70 N ALA A 5 6.149 1.720 1.893 1.00 3.51 N ATOM 71 CA ALA A 5 6.944 0.986 2.869 1.00 4.03 C ATOM 72 C ALA A 5 8.417 1.372 2.780 1.00 60.42 C ATOM 73 O ALA A 5 9.136 1.348 3.778 1.00 64.51 O ATOM 74 CB ALA A 5 6.776 -0.513 2.667 1.00 40.40 C ATOM 0 H ALA A 5 5.966 1.210 1.029 1.00 3.51 H new ATOM 0 HA ALA A 5 6.586 1.250 3.864 1.00 4.03 H new ATOM 0 HB1 ALA A 5 7.376 -1.049 3.403 1.00 40.40 H new ATOM 0 HB2 ALA A 5 5.727 -0.781 2.789 1.00 40.40 H new ATOM 0 HB3 ALA A 5 7.105 -0.784 1.664 1.00 40.40 H new ATOM 80 N ALA A 6 8.859 1.726 1.578 1.00 40.33 N ATOM 81 CA ALA A 6 10.246 2.118 1.359 1.00 52.34 C ATOM 82 C ALA A 6 10.632 3.292 2.252 1.00 40.42 C ATOM 83 O ALA A 6 11.808 3.490 2.560 1.00 75.32 O ATOM 84 CB ALA A 6 10.470 2.470 -0.105 1.00 21.43 C ATOM 0 H ALA A 6 8.277 1.749 0.741 1.00 40.33 H new ATOM 0 HA ALA A 6 10.882 1.272 1.620 1.00 52.34 H new ATOM 0 HB1 ALA A 6 11.510 2.761 -0.254 1.00 21.43 H new ATOM 0 HB2 ALA A 6 10.243 1.604 -0.726 1.00 21.43 H new ATOM 0 HB3 ALA A 6 9.818 3.298 -0.384 1.00 21.43 H new ATOM 90 N ARG A 7 9.636 4.069 2.664 1.00 54.21 N ATOM 91 CA ARG A 7 9.872 5.225 3.520 1.00 0.22 C ATOM 92 C ARG A 7 9.668 4.865 4.989 1.00 61.32 C ATOM 93 O ARG A 7 10.226 5.505 5.879 1.00 13.00 O ATOM 94 CB ARG A 7 8.939 6.374 3.132 1.00 62.23 C ATOM 95 CG ARG A 7 9.672 7.641 2.723 1.00 55.40 C ATOM 96 CD ARG A 7 8.753 8.853 2.764 1.00 64.00 C ATOM 97 NE ARG A 7 8.242 9.197 1.440 1.00 11.10 N ATOM 98 CZ ARG A 7 7.718 10.380 1.139 1.00 11.24 C ATOM 99 NH1 ARG A 7 7.637 11.327 2.064 1.00 41.45 N ATOM 100 NH2 ARG A 7 7.274 10.618 -0.088 1.00 72.23 N ATOM 0 H ARG A 7 8.657 3.919 2.419 1.00 54.21 H new ATOM 0 HA ARG A 7 10.905 5.542 3.381 1.00 0.22 H new ATOM 0 HB2 ARG A 7 8.302 6.051 2.309 1.00 62.23 H new ATOM 0 HB3 ARG A 7 8.284 6.599 3.973 1.00 62.23 H new ATOM 0 HG2 ARG A 7 10.520 7.803 3.388 1.00 55.40 H new ATOM 0 HG3 ARG A 7 10.074 7.522 1.717 1.00 55.40 H new ATOM 0 HD2 ARG A 7 7.917 8.652 3.434 1.00 64.00 H new ATOM 0 HD3 ARG A 7 9.294 9.705 3.176 1.00 64.00 H new ATOM 0 HE ARG A 7 8.290 8.490 0.706 1.00 11.10 H new ATOM 0 HH11 ARG A 7 7.977 11.148 3.009 1.00 41.45 H new ATOM 0 HH12 ARG A 7 7.234 12.235 1.831 1.00 41.45 H new ATOM 0 HH21 ARG A 7 7.335 9.892 -0.802 1.00 72.23 H new ATOM 0 HH22 ARG A 7 6.872 11.527 -0.318 1.00 72.23 H new ATOM 114 N GLY A 8 8.864 3.834 5.234 1.00 51.50 N ATOM 115 CA GLY A 8 8.600 3.407 6.595 1.00 11.15 C ATOM 116 C GLY A 8 9.817 2.789 7.255 1.00 13.34 C ATOM 117 O GLY A 8 9.985 2.881 8.472 1.00 61.35 O ATOM 0 H GLY A 8 8.391 3.288 4.514 1.00 51.50 H new ATOM 0 HA2 GLY A 8 8.267 4.262 7.183 1.00 11.15 H new ATOM 0 HA3 GLY A 8 7.784 2.684 6.594 1.00 11.15 H new ATOM 121 N ARG A 9 10.666 2.157 6.453 1.00 43.04 N ATOM 122 CA ARG A 9 11.872 1.519 6.967 1.00 62.15 C ATOM 123 C ARG A 9 12.956 2.554 7.251 1.00 44.44 C ATOM 124 O ARG A 9 13.753 2.396 8.175 1.00 14.24 O ATOM 125 CB ARG A 9 12.391 0.482 5.969 1.00 42.14 C ATOM 126 CG ARG A 9 13.555 -0.342 6.496 1.00 54.32 C ATOM 127 CD ARG A 9 13.797 -1.575 5.640 1.00 33.21 C ATOM 128 NE ARG A 9 12.907 -2.675 6.002 1.00 60.54 N ATOM 129 CZ ARG A 9 13.064 -3.420 7.090 1.00 20.23 C ATOM 130 NH1 ARG A 9 14.071 -3.184 7.920 1.00 51.41 N ATOM 131 NH2 ARG A 9 12.213 -4.404 7.351 1.00 15.23 N ATOM 0 H ARG A 9 10.542 2.073 5.444 1.00 43.04 H new ATOM 0 HA ARG A 9 11.618 1.019 7.901 1.00 62.15 H new ATOM 0 HB2 ARG A 9 11.576 -0.189 5.698 1.00 42.14 H new ATOM 0 HB3 ARG A 9 12.701 0.992 5.057 1.00 42.14 H new ATOM 0 HG2 ARG A 9 14.456 0.271 6.516 1.00 54.32 H new ATOM 0 HG3 ARG A 9 13.352 -0.645 7.523 1.00 54.32 H new ATOM 0 HD2 ARG A 9 13.652 -1.322 4.590 1.00 33.21 H new ATOM 0 HD3 ARG A 9 14.833 -1.895 5.750 1.00 33.21 H new ATOM 0 HE ARG A 9 12.122 -2.882 5.385 1.00 60.54 H new ATOM 0 HH11 ARG A 9 14.728 -2.429 7.723 1.00 51.41 H new ATOM 0 HH12 ARG A 9 14.189 -3.758 8.755 1.00 51.41 H new ATOM 0 HH21 ARG A 9 11.437 -4.589 6.716 1.00 15.23 H new ATOM 0 HH22 ARG A 9 12.335 -4.975 8.187 1.00 15.23 H new ATOM 145 N ALA A 10 12.980 3.614 6.448 1.00 25.33 N ATOM 146 CA ALA A 10 13.965 4.675 6.614 1.00 2.42 C ATOM 147 C ALA A 10 13.916 5.254 8.024 1.00 2.22 C ATOM 148 O ALA A 10 14.948 5.597 8.601 1.00 65.21 O ATOM 149 CB ALA A 10 13.738 5.771 5.583 1.00 5.45 C ATOM 0 H ALA A 10 12.329 3.760 5.677 1.00 25.33 H new ATOM 0 HA ALA A 10 14.955 4.246 6.460 1.00 2.42 H new ATOM 0 HB1 ALA A 10 14.481 6.557 5.718 1.00 5.45 H new ATOM 0 HB2 ALA A 10 13.831 5.353 4.581 1.00 5.45 H new ATOM 0 HB3 ALA A 10 12.740 6.189 5.710 1.00 5.45 H new ATOM 155 N ARG A 11 12.711 5.361 8.573 1.00 13.23 N ATOM 156 CA ARG A 11 12.528 5.901 9.915 1.00 34.33 C ATOM 157 C ARG A 11 13.433 5.189 10.916 1.00 64.43 C ATOM 158 O ARG A 11 14.404 5.764 11.410 1.00 52.10 O ATOM 159 CB ARG A 11 11.066 5.765 10.348 1.00 44.05 C ATOM 160 CG ARG A 11 10.725 6.557 11.599 1.00 5.21 C ATOM 161 CD ARG A 11 9.266 6.382 11.989 1.00 22.11 C ATOM 162 NE ARG A 11 8.601 7.663 12.211 1.00 41.15 N ATOM 163 CZ ARG A 11 7.306 7.782 12.479 1.00 34.13 C ATOM 164 NH1 ARG A 11 6.540 6.702 12.560 1.00 2.30 N ATOM 165 NH2 ARG A 11 6.773 8.983 12.669 1.00 64.44 N ATOM 0 H ARG A 11 11.847 5.081 8.109 1.00 13.23 H new ATOM 0 HA ARG A 11 12.798 6.957 9.894 1.00 34.33 H new ATOM 0 HB2 ARG A 11 10.422 6.095 9.533 1.00 44.05 H new ATOM 0 HB3 ARG A 11 10.844 4.712 10.523 1.00 44.05 H new ATOM 0 HG2 ARG A 11 11.364 6.234 12.421 1.00 5.21 H new ATOM 0 HG3 ARG A 11 10.933 7.613 11.430 1.00 5.21 H new ATOM 0 HD2 ARG A 11 8.744 5.834 11.204 1.00 22.11 H new ATOM 0 HD3 ARG A 11 9.203 5.779 12.895 1.00 22.11 H new ATOM 0 HE ARG A 11 9.162 8.513 12.157 1.00 41.15 H new ATOM 0 HH11 ARG A 11 6.946 5.777 12.416 1.00 2.30 H new ATOM 0 HH12 ARG A 11 5.545 6.796 12.766 1.00 2.30 H new ATOM 0 HH21 ARG A 11 7.358 9.816 12.609 1.00 64.44 H new ATOM 0 HH22 ARG A 11 5.778 9.073 12.875 1.00 64.44 H new ATOM 179 N LEU A 12 13.110 3.934 11.210 1.00 12.32 N ATOM 180 CA LEU A 12 13.894 3.143 12.152 1.00 34.03 C ATOM 181 C LEU A 12 15.363 3.110 11.745 1.00 3.42 C ATOM 182 O LEU A 12 16.253 3.092 12.596 1.00 10.40 O ATOM 183 CB LEU A 12 13.343 1.718 12.233 1.00 4.03 C ATOM 184 CG LEU A 12 11.845 1.592 12.510 1.00 32.12 C ATOM 185 CD1 LEU A 12 11.401 0.142 12.397 1.00 62.33 C ATOM 186 CD2 LEU A 12 11.508 2.149 13.886 1.00 60.52 C ATOM 0 H LEU A 12 12.311 3.443 10.810 1.00 12.32 H new ATOM 0 HA LEU A 12 13.819 3.612 13.133 1.00 34.03 H new ATOM 0 HB2 LEU A 12 13.562 1.211 11.293 1.00 4.03 H new ATOM 0 HB3 LEU A 12 13.883 1.185 13.016 1.00 4.03 H new ATOM 0 HG LEU A 12 11.307 2.175 11.762 1.00 32.12 H new ATOM 0 HD11 LEU A 12 10.332 0.072 12.597 1.00 62.33 H new ATOM 0 HD12 LEU A 12 11.606 -0.224 11.391 1.00 62.33 H new ATOM 0 HD13 LEU A 12 11.946 -0.463 13.121 1.00 62.33 H new ATOM 0 HD21 LEU A 12 10.437 2.051 14.066 1.00 60.52 H new ATOM 0 HD22 LEU A 12 12.056 1.594 14.647 1.00 60.52 H new ATOM 0 HD23 LEU A 12 11.789 3.201 13.931 1.00 60.52 H new ATOM 198 N ARG A 13 15.610 3.105 10.439 1.00 23.04 N ATOM 199 CA ARG A 13 16.972 3.076 9.920 1.00 61.24 C ATOM 200 C ARG A 13 17.775 4.269 10.430 1.00 55.11 C ATOM 201 O ARG A 13 18.823 4.104 11.053 1.00 15.05 O ATOM 202 CB ARG A 13 16.957 3.075 8.390 1.00 71.51 C ATOM 203 CG ARG A 13 18.147 2.362 7.770 1.00 64.35 C ATOM 204 CD ARG A 13 19.456 3.052 8.122 1.00 13.01 C ATOM 205 NE ARG A 13 19.439 4.469 7.770 1.00 40.24 N ATOM 206 CZ ARG A 13 20.445 5.300 8.018 1.00 44.05 C ATOM 207 NH1 ARG A 13 21.543 4.857 8.616 1.00 52.44 N ATOM 208 NH2 ARG A 13 20.355 6.576 7.666 1.00 4.54 N ATOM 0 H ARG A 13 14.885 3.121 9.722 1.00 23.04 H new ATOM 0 HA ARG A 13 17.449 2.162 10.273 1.00 61.24 H new ATOM 0 HB2 ARG A 13 16.039 2.600 8.044 1.00 71.51 H new ATOM 0 HB3 ARG A 13 16.936 4.105 8.035 1.00 71.51 H new ATOM 0 HG2 ARG A 13 18.174 1.329 8.117 1.00 64.35 H new ATOM 0 HG3 ARG A 13 18.030 2.332 6.687 1.00 64.35 H new ATOM 0 HD2 ARG A 13 19.646 2.946 9.190 1.00 13.01 H new ATOM 0 HD3 ARG A 13 20.277 2.559 7.602 1.00 13.01 H new ATOM 0 HE ARG A 13 18.609 4.841 7.308 1.00 40.24 H new ATOM 0 HH11 ARG A 13 21.616 3.876 8.886 1.00 52.44 H new ATOM 0 HH12 ARG A 13 22.314 5.497 8.805 1.00 52.44 H new ATOM 0 HH21 ARG A 13 19.513 6.920 7.205 1.00 4.54 H new ATOM 0 HH22 ARG A 13 21.128 7.213 7.857 1.00 4.54 H new ATOM 222 N ALA A 14 17.275 5.471 10.160 1.00 72.31 N ATOM 223 CA ALA A 14 17.944 6.691 10.593 1.00 51.12 C ATOM 224 C ALA A 14 18.172 6.687 12.100 1.00 24.25 C ATOM 225 O ALA A 14 19.276 6.961 12.572 1.00 11.41 O ATOM 226 CB ALA A 14 17.133 7.911 10.184 1.00 55.45 C ATOM 0 H ALA A 14 16.409 5.625 9.644 1.00 72.31 H new ATOM 0 HA ALA A 14 18.918 6.735 10.105 1.00 51.12 H new ATOM 0 HB1 ALA A 14 17.645 8.815 10.514 1.00 55.45 H new ATOM 0 HB2 ALA A 14 17.026 7.930 9.099 1.00 55.45 H new ATOM 0 HB3 ALA A 14 16.147 7.863 10.645 1.00 55.45 H new