USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 129 hydrogens (0 hets) ATOM 27 N ARG A 2 -6.515 0.048 0.619 1.00 0.00 N ATOM 28 CA ARG A 2 -5.128 -0.078 0.184 1.00 0.00 C ATOM 29 C ARG A 2 -4.544 1.287 -0.174 1.00 0.00 C ATOM 30 O ARG A 2 -4.074 1.499 -1.292 1.00 0.00 O ATOM 31 CB ARG A 2 -5.026 -1.022 -1.020 1.00 0.00 C ATOM 32 CG ARG A 2 -6.095 -2.106 -1.049 1.00 0.00 C ATOM 33 CD ARG A 2 -7.188 -1.787 -2.058 1.00 0.00 C ATOM 34 NE ARG A 2 -8.513 -1.757 -1.442 1.00 0.00 N ATOM 35 CZ ARG A 2 -9.568 -1.149 -1.980 1.00 0.00 C ATOM 36 NH1 ARG A 2 -9.459 -0.520 -3.144 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.737 -1.172 -1.354 1.00 0.00 N ATOM 0 HA ARG A 2 -4.553 -0.496 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.094 -0.435 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.044 -1.495 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.637 -3.063 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.534 -2.212 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.982 -0.822 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.175 -2.532 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.637 -2.230 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.563 -0.501 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.271 -0.056 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.828 -1.655 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.545 -0.706 -1.766 1.00 0.00 H new ATOM 51 N LEU A 3 -4.560 2.203 0.789 1.00 0.00 N ATOM 52 CA LEU A 3 -4.012 3.543 0.576 1.00 0.00 C ATOM 53 C LEU A 3 -2.517 3.528 0.840 1.00 0.00 C ATOM 54 O LEU A 3 -1.705 3.802 -0.043 1.00 0.00 O ATOM 55 CB LEU A 3 -4.700 4.577 1.478 1.00 0.00 C ATOM 56 CG LEU A 3 -5.233 4.049 2.813 1.00 0.00 C ATOM 57 CD1 LEU A 3 -5.154 5.127 3.882 1.00 0.00 C ATOM 58 CD2 LEU A 3 -6.664 3.556 2.656 1.00 0.00 C ATOM 0 H LEU A 3 -4.944 2.046 1.721 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.197 3.831 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.992 5.380 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.530 5.017 0.926 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.612 3.210 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.537 4.734 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.117 5.435 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.752 5.986 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.028 3.184 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.297 4.378 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.693 2.753 1.920 1.00 0.00 H new ATOM 70 N ILE A 4 -2.174 3.162 2.065 1.00 0.00 N ATOM 71 CA ILE A 4 -0.792 3.046 2.490 1.00 0.00 C ATOM 72 C ILE A 4 -0.160 1.817 1.873 1.00 0.00 C ATOM 73 O ILE A 4 1.053 1.654 1.872 1.00 0.00 O ATOM 74 CB ILE A 4 -0.667 2.971 4.023 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.502 1.812 4.569 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.098 4.287 4.654 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.073 1.355 5.946 1.00 0.00 C ATOM 0 H ILE A 4 -2.851 2.937 2.794 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.271 3.942 2.152 1.00 0.00 H new ATOM 0 HB ILE A 4 0.377 2.793 4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.549 2.114 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.437 0.971 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.004 4.219 5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.463 5.093 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.136 4.494 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.708 0.531 6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.036 1.022 5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.165 2.183 6.649 1.00 0.00 H new ATOM 89 N ARG A 5 -1.031 0.950 1.405 1.00 0.00 N ATOM 90 CA ARG A 5 -0.675 -0.330 0.820 1.00 0.00 C ATOM 91 C ARG A 5 -0.152 -0.215 -0.570 1.00 0.00 C ATOM 92 O ARG A 5 1.020 -0.483 -0.793 1.00 0.00 O ATOM 93 CB ARG A 5 -1.899 -1.199 0.863 1.00 0.00 C ATOM 94 CG ARG A 5 -2.247 -1.443 2.290 1.00 0.00 C ATOM 95 CD ARG A 5 -1.161 -2.299 2.896 1.00 0.00 C ATOM 96 NE ARG A 5 -1.679 -3.549 3.451 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.815 -4.676 2.754 1.00 0.00 C ATOM 98 NH1 ARG A 5 -1.471 -4.723 1.473 1.00 0.00 N ATOM 99 NH2 ARG A 5 -2.298 -5.762 3.343 1.00 0.00 N ATOM 0 H ARG A 5 -2.037 1.119 1.420 1.00 0.00 H new ATOM 0 HA ARG A 5 0.140 -0.767 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.728 -0.714 0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.713 -2.143 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.333 -0.499 2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.213 -1.942 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.414 -2.525 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.656 -1.738 3.682 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.953 -3.558 4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.099 -3.892 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.579 -5.591 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.564 -5.733 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.403 -6.626 2.812 1.00 0.00 H new ATOM 113 N LEU A 6 -0.975 0.244 -1.501 1.00 0.00 N ATOM 114 CA LEU A 6 -0.498 0.443 -2.860 1.00 0.00 C ATOM 115 C LEU A 6 0.832 1.165 -2.775 1.00 0.00 C ATOM 116 O LEU A 6 1.634 1.169 -3.709 1.00 0.00 O ATOM 117 CB LEU A 6 -1.506 1.237 -3.696 1.00 0.00 C ATOM 118 CG LEU A 6 -2.267 0.417 -4.739 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.331 -0.038 -5.849 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.942 -0.779 -4.085 1.00 0.00 C ATOM 0 H LEU A 6 -1.955 0.481 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.376 -0.519 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.227 1.701 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.978 2.044 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.038 1.050 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.891 -0.620 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.893 0.833 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.537 -0.654 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.479 -1.352 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.188 -1.412 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.644 -0.431 -3.327 1.00 0.00 H new ATOM 132 N ILE A 7 1.046 1.755 -1.603 1.00 0.00 N ATOM 133 CA ILE A 7 2.230 2.461 -1.293 1.00 0.00 C ATOM 134 C ILE A 7 3.203 1.521 -0.660 1.00 0.00 C ATOM 135 O ILE A 7 4.359 1.408 -1.061 1.00 0.00 O ATOM 136 CB ILE A 7 1.868 3.627 -0.343 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.449 4.857 -1.150 1.00 0.00 C ATOM 138 CG2 ILE A 7 3.023 3.971 0.590 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.132 4.687 -1.875 1.00 0.00 C ATOM 0 H ILE A 7 0.368 1.740 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 7 2.691 2.873 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 7 1.030 3.305 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.377 5.714 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.228 5.086 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.731 4.794 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.274 3.100 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.892 4.265 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.101 5.599 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.205 3.851 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.659 4.489 -1.151 1.00 0.00 H new ATOM 151 N LEU A 8 2.685 0.822 0.300 1.00 0.00 N ATOM 152 CA LEU A 8 3.417 -0.168 1.022 1.00 0.00 C ATOM 153 C LEU A 8 3.921 -1.257 0.109 1.00 0.00 C ATOM 154 O LEU A 8 4.769 -2.074 0.467 1.00 0.00 O ATOM 155 CB LEU A 8 2.487 -0.730 2.060 1.00 0.00 C ATOM 156 CG LEU A 8 3.141 -1.276 3.328 1.00 0.00 C ATOM 157 CD1 LEU A 8 3.892 -2.565 3.030 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.076 -0.240 3.936 1.00 0.00 C ATOM 0 H LEU A 8 1.719 0.927 0.610 1.00 0.00 H new ATOM 0 HA LEU A 8 4.297 0.276 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.782 0.051 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.906 -1.531 1.602 1.00 0.00 H new ATOM 0 HG LEU A 8 2.356 -1.496 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.351 -2.939 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.197 -3.310 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.667 -2.371 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.533 -0.647 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.855 0.013 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.510 0.657 4.188 1.00 0.00 H new ATOM 170 N ARG A 9 3.353 -1.255 -1.058 1.00 0.00 N ATOM 171 CA ARG A 9 3.640 -2.206 -2.085 1.00 0.00 C ATOM 172 C ARG A 9 4.954 -1.900 -2.788 1.00 0.00 C ATOM 173 O ARG A 9 5.804 -2.774 -2.949 1.00 0.00 O ATOM 174 CB ARG A 9 2.481 -2.096 -3.025 1.00 0.00 C ATOM 175 CG ARG A 9 1.159 -2.430 -2.355 1.00 0.00 C ATOM 176 CD ARG A 9 1.136 -3.865 -1.854 1.00 0.00 C ATOM 177 NE ARG A 9 1.593 -4.807 -2.873 1.00 0.00 N ATOM 178 CZ ARG A 9 0.888 -5.128 -3.956 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.307 -4.588 -4.163 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.379 -5.991 -4.835 1.00 0.00 N ATOM 0 H ARG A 9 2.652 -0.566 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 9 3.760 -3.214 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.437 -1.083 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.637 -2.767 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.990 -1.749 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.343 -2.277 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.769 -3.951 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.123 -4.126 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 9 2.506 -5.244 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.690 -3.923 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.842 -4.838 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.297 -6.409 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.839 -6.237 -5.665 1.00 0.00 H new ATOM 194 N LEU A 10 5.127 -0.643 -3.163 1.00 0.00 N ATOM 195 CA LEU A 10 6.359 -0.197 -3.800 1.00 0.00 C ATOM 196 C LEU A 10 7.351 0.122 -2.701 1.00 0.00 C ATOM 197 O LEU A 10 8.567 0.027 -2.865 1.00 0.00 O ATOM 198 CB LEU A 10 6.107 1.032 -4.675 1.00 0.00 C ATOM 199 CG LEU A 10 5.157 0.803 -5.851 1.00 0.00 C ATOM 200 CD1 LEU A 10 5.038 2.063 -6.694 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.633 -0.367 -6.700 1.00 0.00 C ATOM 0 H LEU A 10 4.429 0.090 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 10 6.751 -0.978 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.702 1.828 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.062 1.386 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 10 4.170 0.561 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.358 1.881 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.651 2.876 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.020 2.336 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.945 -0.516 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.630 -0.154 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.665 -1.270 -6.090 1.00 0.00 H new ATOM 213 N LEU A 11 6.775 0.477 -1.563 1.00 0.00 N ATOM 214 CA LEU A 11 7.503 0.800 -0.360 1.00 0.00 C ATOM 215 C LEU A 11 8.113 -0.459 0.230 1.00 0.00 C ATOM 216 O LEU A 11 9.209 -0.435 0.790 1.00 0.00 O ATOM 217 CB LEU A 11 6.510 1.388 0.631 1.00 0.00 C ATOM 218 CG LEU A 11 6.191 2.874 0.464 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.692 3.457 1.778 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.400 3.654 -0.035 1.00 0.00 C ATOM 0 H LEU A 11 5.763 0.548 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 11 8.304 1.506 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.578 0.827 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.897 1.231 1.638 1.00 0.00 H new ATOM 0 HG LEU A 11 5.406 2.963 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.469 4.516 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.789 2.932 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.461 3.342 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.136 4.706 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.217 3.556 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.714 3.259 -1.001 1.00 0.00 H new ATOM 232 N ARG A 12 7.368 -1.557 0.103 1.00 0.00 N ATOM 233 CA ARG A 12 7.786 -2.864 0.622 1.00 0.00 C ATOM 234 C ARG A 12 7.307 -3.050 2.058 1.00 0.00 C ATOM 235 O ARG A 12 7.401 -2.082 2.842 1.00 0.00 O ATOM 236 CB ARG A 12 9.310 -3.027 0.561 1.00 0.00 C ATOM 237 CG ARG A 12 9.767 -4.471 0.402 1.00 0.00 C ATOM 238 CD ARG A 12 9.767 -4.910 -1.056 1.00 0.00 C ATOM 239 NE ARG A 12 10.336 -3.895 -1.941 1.00 0.00 N ATOM 240 CZ ARG A 12 9.613 -2.999 -2.610 1.00 0.00 C ATOM 241 NH1 ARG A 12 8.291 -2.982 -2.500 1.00 0.00 N ATOM 242 NH2 ARG A 12 10.213 -2.110 -3.388 1.00 0.00 N ATOM 243 OXT ARG A 12 6.841 -4.161 2.385 1.00 0.00 O ATOM 0 H ARG A 12 6.460 -1.568 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 12 7.331 -3.627 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.696 -2.440 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.747 -2.615 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.770 -4.582 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.112 -5.125 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.335 -5.835 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.746 -5.129 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 12 11.350 -3.872 -2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.820 -3.659 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.745 -2.292 -3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.229 -2.112 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.659 -1.424 -3.900 1.00 0.00 H new