USER MOD reduce.3.24.130724 H: found=0, std=0, add=224, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 232 hydrogens (232 hets) HETATM 1 C DNG A 1 35.504 8.915 4.002 1.00 1.00 C HETATM 2 N DNG A 1 36.748 7.902 5.904 1.00 1.00 N HETATM 3 O DNG A 1 35.843 9.460 2.951 1.00 1.00 O HETATM 4 C1 DNG A 1 35.969 7.894 6.984 1.00 1.00 C HETATM 5 O1 DNG A 1 34.751 7.755 6.917 1.00 1.00 O HETATM 6 CA DNG A 1 36.268 7.694 4.544 1.00 1.00 C HETATM 7 CB DNG A 1 37.450 7.313 3.640 1.00 1.00 C HETATM 8 CD DNG A 1 39.259 5.633 3.151 1.00 1.00 C HETATM 9 CE DNG A 1 39.939 4.344 3.616 1.00 1.00 C HETATM 10 CG DNG A 1 38.131 6.021 4.112 1.00 1.00 C HETATM 0 HGA DNG A 1 38.531 6.159 5.116 1.00 1.00 H new HETATM 0 HG DNG A 1 37.399 5.216 4.168 1.00 1.00 H new HETATM 0 HEB DNG A 1 40.357 4.492 4.612 1.00 1.00 H new HETATM 0 HEA DNG A 1 39.207 3.537 3.647 1.00 1.00 H new HETATM 0 HE DNG A 1 40.738 4.083 2.922 1.00 1.00 H new HETATM 0 HDA DNG A 1 39.991 6.438 3.097 1.00 1.00 H new HETATM 0 HD DNG A 1 38.858 5.498 2.146 1.00 1.00 H new HETATM 0 HC1 DNG A 1 36.430 8.015 7.964 1.00 1.00 H new HETATM 0 HBA DNG A 1 37.099 7.186 2.616 1.00 1.00 H new HETATM 0 HB DNG A 1 38.177 8.125 3.630 1.00 1.00 H new HETATM 0 HA DNG A 1 35.550 6.874 4.553 1.00 1.00 H new HETATM 0 H DNG A 1 37.746 8.064 6.038 1.00 1.00 H new HETATM 23 N NLE A 2 34.446 9.333 4.692 1.00 1.00 N HETATM 24 CA NLE A 2 33.424 10.236 4.186 1.00 1.00 C HETATM 25 C NLE A 2 32.581 10.850 5.300 1.00 1.00 C HETATM 26 O NLE A 2 32.699 10.476 6.467 1.00 1.00 O HETATM 27 CB NLE A 2 32.571 9.510 3.129 1.00 1.00 C HETATM 28 CG NLE A 2 31.890 8.251 3.687 1.00 1.00 C HETATM 29 CD NLE A 2 31.199 7.429 2.593 1.00 1.00 C HETATM 30 CE NLE A 2 30.006 8.164 1.974 1.00 1.00 C HETATM 0 HG3 NLE A 2 32.633 7.631 4.189 1.00 1.00 H new HETATM 0 HG2 NLE A 2 31.156 8.541 4.439 1.00 1.00 H new HETATM 0 HE3 NLE A 2 29.269 8.379 2.748 1.00 1.00 H new HETATM 0 HE2 NLE A 2 30.346 9.098 1.528 1.00 1.00 H new HETATM 0 HE1 NLE A 2 29.552 7.539 1.205 1.00 1.00 H new HETATM 0 HD3 NLE A 2 31.920 7.191 1.811 1.00 1.00 H new HETATM 0 HD2 NLE A 2 30.860 6.482 3.013 1.00 1.00 H new HETATM 0 HB3 NLE A 2 31.811 10.192 2.749 1.00 1.00 H new HETATM 0 HB2 NLE A 2 33.202 9.234 2.284 1.00 1.00 H new HETATM 0 HA NLE A 2 33.918 11.081 3.706 1.00 1.00 H new HETATM 0 H NLE A 2 34.534 9.173 5.696 1.00 1.00 H new HETATM 42 N DNE A 3 31.729 11.801 4.913 1.00 1.00 N HETATM 43 CA DNE A 3 30.827 12.549 5.770 1.00 1.00 C HETATM 44 C DNE A 3 31.311 13.998 5.779 1.00 1.00 C HETATM 45 O DNE A 3 30.949 14.785 4.903 1.00 1.00 O HETATM 46 CB DNE A 3 29.405 12.442 5.206 1.00 1.00 C HETATM 47 CG DNE A 3 28.936 10.984 5.157 1.00 1.00 C HETATM 48 CD DNE A 3 27.535 10.835 4.554 1.00 1.00 C HETATM 49 CE DNE A 3 27.457 11.309 3.099 1.00 1.00 C HETATM 0 HG3 DNE A 3 29.644 10.398 4.571 1.00 1.00 H new HETATM 0 HG2 DNE A 3 28.939 10.571 6.166 1.00 1.00 H new HETATM 0 HE3 DNE A 3 27.731 12.363 3.044 1.00 1.00 H new HETATM 0 HE2 DNE A 3 28.144 10.724 2.488 1.00 1.00 H new HETATM 0 HE1 DNE A 3 26.441 11.178 2.728 1.00 1.00 H new HETATM 0 HD3 DNE A 3 27.232 9.789 4.607 1.00 1.00 H new HETATM 0 HD2 DNE A 3 26.825 11.403 5.154 1.00 1.00 H new HETATM 0 HB3 DNE A 3 28.722 13.026 5.823 1.00 1.00 H new HETATM 0 HB2 DNE A 3 29.375 12.870 4.204 1.00 1.00 H new HETATM 0 HA DNE A 3 30.815 12.160 6.788 1.00 1.00 H new HETATM 61 N NLE A 4 32.153 14.346 6.747 1.00 1.00 N HETATM 62 CA NLE A 4 32.792 15.652 6.811 1.00 1.00 C HETATM 63 C NLE A 4 34.133 15.531 6.079 1.00 1.00 C HETATM 64 O NLE A 4 34.611 14.424 5.857 1.00 1.00 O HETATM 65 CB NLE A 4 32.990 16.102 8.267 1.00 1.00 C HETATM 66 CG NLE A 4 31.713 16.017 9.116 1.00 1.00 C HETATM 67 CD NLE A 4 30.575 16.873 8.546 1.00 1.00 C HETATM 68 CE NLE A 4 29.383 16.881 9.504 1.00 1.00 C HETATM 0 HG3 NLE A 4 31.388 14.978 9.176 1.00 1.00 H new HETATM 0 HG2 NLE A 4 31.934 16.341 10.133 1.00 1.00 H new HETATM 0 HE3 NLE A 4 29.023 15.862 9.646 1.00 1.00 H new HETATM 0 HE2 NLE A 4 29.691 17.294 10.464 1.00 1.00 H new HETATM 0 HE1 NLE A 4 28.584 17.493 9.085 1.00 1.00 H new HETATM 0 HD3 NLE A 4 30.925 17.892 8.382 1.00 1.00 H new HETATM 0 HD2 NLE A 4 30.268 16.482 7.576 1.00 1.00 H new HETATM 0 HB3 NLE A 4 33.763 15.487 8.727 1.00 1.00 H new HETATM 0 HB2 NLE A 4 33.354 17.130 8.275 1.00 1.00 H new HETATM 0 HA NLE A 4 32.166 16.409 6.339 1.00 1.00 H new HETATM 80 N DNE A 5 34.761 16.650 5.725 1.00 1.00 N HETATM 81 CA DNE A 5 36.124 16.680 5.211 1.00 1.00 C HETATM 82 C DNE A 5 36.240 17.511 3.932 1.00 1.00 C HETATM 83 O DNE A 5 36.257 18.735 4.012 1.00 1.00 O HETATM 84 CB DNE A 5 36.965 17.257 6.344 1.00 1.00 C HETATM 85 CG DNE A 5 38.447 17.443 5.995 1.00 1.00 C HETATM 86 CD DNE A 5 39.287 17.762 7.237 1.00 1.00 C HETATM 87 CE DNE A 5 38.869 19.082 7.893 1.00 1.00 C HETATM 0 HG3 DNE A 5 38.826 16.537 5.522 1.00 1.00 H new HETATM 0 HG2 DNE A 5 38.551 18.249 5.268 1.00 1.00 H new HETATM 0 HE3 DNE A 5 38.994 19.898 7.181 1.00 1.00 H new HETATM 0 HE2 DNE A 5 37.824 19.022 8.197 1.00 1.00 H new HETATM 0 HE1 DNE A 5 39.491 19.266 8.769 1.00 1.00 H new HETATM 0 HD3 DNE A 5 39.188 16.952 7.959 1.00 1.00 H new HETATM 0 HD2 DNE A 5 40.340 17.814 6.959 1.00 1.00 H new HETATM 0 HB3 DNE A 5 36.548 18.221 6.636 1.00 1.00 H new HETATM 0 HB2 DNE A 5 36.887 16.600 7.210 1.00 1.00 H new HETATM 0 HA DNE A 5 36.464 15.685 4.924 1.00 1.00 H new HETATM 0 H DNE A 5 34.020 17.150 5.234 1.00 1.00 H new HETATM 99 N NLE A 6 36.349 16.875 2.761 1.00 1.00 N HETATM 100 CA NLE A 6 36.492 17.561 1.475 1.00 1.00 C HETATM 101 C NLE A 6 35.685 16.832 0.393 1.00 1.00 C HETATM 102 O NLE A 6 35.548 15.618 0.494 1.00 1.00 O HETATM 103 CB NLE A 6 37.974 17.600 1.069 1.00 1.00 C HETATM 104 CG NLE A 6 38.839 18.372 2.072 1.00 1.00 C HETATM 105 CD NLE A 6 40.251 18.642 1.539 1.00 1.00 C HETATM 106 CE NLE A 6 41.028 17.349 1.271 1.00 1.00 C HETATM 0 HG3 NLE A 6 38.356 19.320 2.310 1.00 1.00 H new HETATM 0 HG2 NLE A 6 38.906 17.806 3.001 1.00 1.00 H new HETATM 0 HE3 NLE A 6 41.120 16.781 2.197 1.00 1.00 H new HETATM 0 HE2 NLE A 6 40.496 16.752 0.530 1.00 1.00 H new HETATM 0 HE1 NLE A 6 42.022 17.593 0.895 1.00 1.00 H new HETATM 0 HD3 NLE A 6 40.185 19.221 0.618 1.00 1.00 H new HETATM 0 HD2 NLE A 6 40.799 19.250 2.259 1.00 1.00 H new HETATM 0 HB3 NLE A 6 38.350 16.581 0.980 1.00 1.00 H new HETATM 0 HB2 NLE A 6 38.066 18.061 0.085 1.00 1.00 H new HETATM 0 HA NLE A 6 36.115 18.579 1.576 1.00 1.00 H new HETATM 0 H NLE A 6 35.772 16.037 2.830 1.00 1.00 H new HETATM 118 C DNM A 7 33.203 17.616 -2.181 1.00 1.00 C HETATM 119 N DNM A 7 35.159 17.508 -0.646 1.00 1.00 N HETATM 120 O DNM A 7 32.935 17.675 -3.380 1.00 1.00 O HETATM 121 C1 DNM A 7 35.254 18.968 -0.793 1.00 1.00 C HETATM 122 CA DNM A 7 34.364 16.773 -1.652 1.00 1.00 C HETATM 123 CB DNM A 7 35.268 16.194 -2.757 1.00 1.00 C HETATM 124 CD DNM A 7 37.010 16.628 -4.572 1.00 1.00 C HETATM 125 CE DNM A 7 36.184 16.113 -5.754 1.00 1.00 C HETATM 126 CG DNM A 7 36.140 17.241 -3.467 1.00 1.00 C HETATM 0 HGA DNM A 7 35.500 18.011 -3.898 1.00 1.00 H new HETATM 0 HG DNM A 7 36.781 17.732 -2.735 1.00 1.00 H new HETATM 0 HEB DNM A 7 35.493 15.345 -5.408 1.00 1.00 H new HETATM 0 HEA DNM A 7 35.621 16.937 -6.191 1.00 1.00 H new HETATM 0 HE DNM A 7 36.850 15.690 -6.506 1.00 1.00 H new HETATM 0 HDA DNM A 7 37.594 15.807 -4.156 1.00 1.00 H new HETATM 0 HD DNM A 7 37.719 17.375 -4.927 1.00 1.00 H new HETATM 0 HBA DNM A 7 35.915 15.433 -2.320 1.00 1.00 H new HETATM 0 HB DNM A 7 34.644 15.694 -3.498 1.00 1.00 H new HETATM 0 HA DNM A 7 33.899 15.916 -1.165 1.00 1.00 H new HETATM 0 H1B DNM A 7 35.711 19.208 -1.753 1.00 1.00 H new HETATM 0 H1A DNM A 7 34.256 19.404 -0.747 1.00 1.00 H new HETATM 0 H1 DNM A 7 35.866 19.376 0.012 1.00 1.00 H new HETATM 140 N NLE A 8 32.536 18.307 -1.259 1.00 1.00 N HETATM 141 CA NLE A 8 31.566 19.340 -1.548 1.00 1.00 C HETATM 142 C NLE A 8 32.243 20.550 -2.204 1.00 1.00 C HETATM 143 O NLE A 8 32.408 21.602 -1.593 1.00 1.00 O HETATM 144 CB NLE A 8 30.808 19.682 -0.257 1.00 1.00 C HETATM 145 CG NLE A 8 29.606 20.620 -0.444 1.00 1.00 C HETATM 146 CD NLE A 8 28.507 19.998 -1.314 1.00 1.00 C HETATM 147 CE NLE A 8 27.264 20.890 -1.313 1.00 1.00 C HETATM 0 HG3 NLE A 8 29.192 20.874 0.532 1.00 1.00 H new HETATM 0 HG2 NLE A 8 29.943 21.551 -0.900 1.00 1.00 H new HETATM 0 HE3 NLE A 8 26.894 20.997 -0.293 1.00 1.00 H new HETATM 0 HE2 NLE A 8 27.520 21.872 -1.711 1.00 1.00 H new HETATM 0 HE1 NLE A 8 26.491 20.438 -1.934 1.00 1.00 H new HETATM 0 HD3 NLE A 8 28.870 19.869 -2.334 1.00 1.00 H new HETATM 0 HD2 NLE A 8 28.253 19.007 -0.938 1.00 1.00 H new HETATM 0 HB3 NLE A 8 30.460 18.755 0.200 1.00 1.00 H new HETATM 0 HB2 NLE A 8 31.504 20.142 0.445 1.00 1.00 H new HETATM 0 HA NLE A 8 30.833 18.988 -2.274 1.00 1.00 H new HETATM 159 N DNE A 9 32.642 20.403 -3.468 1.00 1.00 N HETATM 160 CA DNE A 9 33.117 21.486 -4.325 1.00 1.00 C HETATM 161 C DNE A 9 34.551 21.948 -4.014 1.00 1.00 C HETATM 162 O DNE A 9 35.315 22.253 -4.929 1.00 1.00 O HETATM 163 CB DNE A 9 32.933 21.079 -5.799 1.00 1.00 C HETATM 164 CG DNE A 9 33.692 19.796 -6.178 1.00 1.00 C HETATM 165 CD DNE A 9 33.723 19.575 -7.695 1.00 1.00 C HETATM 166 CE DNE A 9 32.325 19.362 -8.284 1.00 1.00 C HETATM 0 HG3 DNE A 9 34.712 19.853 -5.799 1.00 1.00 H new HETATM 0 HG2 DNE A 9 33.220 18.940 -5.696 1.00 1.00 H new HETATM 0 HE3 DNE A 9 31.867 18.485 -7.826 1.00 1.00 H new HETATM 0 HE2 DNE A 9 31.709 20.239 -8.085 1.00 1.00 H new HETATM 0 HE1 DNE A 9 32.403 19.210 -9.361 1.00 1.00 H new HETATM 0 HD3 DNE A 9 34.189 20.435 -8.175 1.00 1.00 H new HETATM 0 HD2 DNE A 9 34.345 18.709 -7.920 1.00 1.00 H new HETATM 0 HB3 DNE A 9 31.871 20.936 -5.999 1.00 1.00 H new HETATM 0 HB2 DNE A 9 33.271 21.895 -6.438 1.00 1.00 H new HETATM 0 HA DNE A 9 32.509 22.366 -4.115 1.00 1.00 H new HETATM 178 N NLO A 10 34.927 22.026 -2.735 1.00 1.00 N HETATM 179 CA NLO A 10 36.259 22.466 -2.345 1.00 1.00 C HETATM 180 C NLO A 10 37.309 21.409 -2.700 1.00 1.00 C HETATM 181 O NLO A 10 36.968 20.363 -3.254 1.00 1.00 O HETATM 182 CB NLO A 10 36.296 22.793 -0.845 1.00 1.00 C HETATM 183 CG NLO A 10 35.095 23.634 -0.395 1.00 1.00 C HETATM 184 CD NLO A 10 35.404 24.382 0.906 1.00 1.00 C HETATM 185 CE NLO A 10 34.154 25.111 1.405 1.00 1.00 C HETATM 186 OH NLO A 10 38.590 21.712 -2.327 1.00 1.00 O HETATM 187 C1 NLO A 10 39.390 20.549 -2.228 1.00 1.00 C HETATM 0 HG3 NLO A 10 34.834 24.348 -1.176 1.00 1.00 H new HETATM 0 HG2 NLO A 10 34.229 22.989 -0.250 1.00 1.00 H new HETATM 0 HE3 NLO A 10 33.825 25.827 0.651 1.00 1.00 H new HETATM 0 HE2 NLO A 10 33.360 24.387 1.589 1.00 1.00 H new HETATM 0 HE1 NLO A 10 34.386 25.639 2.330 1.00 1.00 H new HETATM 0 HD3 NLO A 10 35.752 23.680 1.664 1.00 1.00 H new HETATM 0 HD2 NLO A 10 36.210 25.097 0.740 1.00 1.00 H new HETATM 0 HB3 NLO A 10 36.319 21.864 -0.275 1.00 1.00 H new HETATM 0 HB2 NLO A 10 37.217 23.330 -0.616 1.00 1.00 H new HETATM 0 HA NLO A 10 36.498 23.373 -2.900 1.00 1.00 H new HETATM 0 H13 NLO A 10 38.964 19.877 -1.483 1.00 1.00 H new HETATM 0 H12 NLO A 10 39.422 20.046 -3.195 1.00 1.00 H new HETATM 0 H11 NLO A 10 40.401 20.827 -1.930 1.00 1.00 H new TER 202 NLO A 10 HETATM 203 C DNG B 1 33.441 19.686 4.844 1.00 1.00 C HETATM 204 N DNG B 1 35.079 21.183 3.747 1.00 1.00 N HETATM 205 O DNG B 1 33.387 19.154 5.954 1.00 1.00 O HETATM 206 C1 DNG B 1 34.969 21.062 2.425 1.00 1.00 C HETATM 207 O1 DNG B 1 33.897 20.866 1.858 1.00 1.00 O HETATM 208 CA DNG B 1 33.961 21.123 4.677 1.00 1.00 C HETATM 209 CB DNG B 1 34.382 21.732 6.025 1.00 1.00 C HETATM 210 CD DNG B 1 33.929 24.145 5.325 1.00 1.00 C HETATM 211 CE DNG B 1 34.469 25.574 5.401 1.00 1.00 C HETATM 212 CG DNG B 1 34.940 23.160 5.923 1.00 1.00 C HETATM 0 HGA DNG B 1 35.234 23.503 6.915 1.00 1.00 H new HETATM 0 HG DNG B 1 35.841 23.152 5.309 1.00 1.00 H new HETATM 0 HEB DNG B 1 34.650 25.840 6.443 1.00 1.00 H new HETATM 0 HEA DNG B 1 35.402 25.640 4.842 1.00 1.00 H new HETATM 0 HE DNG B 1 33.740 26.262 4.973 1.00 1.00 H new HETATM 0 HDA DNG B 1 32.984 24.077 5.863 1.00 1.00 H new HETATM 0 HD DNG B 1 33.725 23.881 4.287 1.00 1.00 H new HETATM 0 HC1 DNG B 1 35.871 21.140 1.819 1.00 1.00 H new HETATM 0 HBA DNG B 1 33.521 21.737 6.694 1.00 1.00 H new HETATM 0 HB DNG B 1 35.136 21.091 6.481 1.00 1.00 H new HETATM 0 HA DNG B 1 33.135 21.707 4.271 1.00 1.00 H new HETATM 0 H DNG B 1 36.011 21.328 4.134 1.00 1.00 H new HETATM 225 N NLE B 2 33.026 19.053 3.748 1.00 1.00 N HETATM 226 CA NLE B 2 32.230 17.836 3.751 1.00 1.00 C HETATM 227 C NLE B 2 32.284 17.093 2.420 1.00 1.00 C HETATM 228 O NLE B 2 32.847 17.586 1.444 1.00 1.00 O HETATM 229 CB NLE B 2 30.795 18.157 4.205 1.00 1.00 C HETATM 230 CG NLE B 2 30.097 19.168 3.283 1.00 1.00 C HETATM 231 CD NLE B 2 28.783 19.684 3.882 1.00 1.00 C HETATM 232 CE NLE B 2 27.746 18.570 4.058 1.00 1.00 C HETATM 0 HG3 NLE B 2 30.765 20.009 3.097 1.00 1.00 H new HETATM 0 HG2 NLE B 2 29.896 18.700 2.319 1.00 1.00 H new HETATM 0 HE3 NLE B 2 27.522 18.125 3.089 1.00 1.00 H new HETATM 0 HE2 NLE B 2 28.143 17.805 4.726 1.00 1.00 H new HETATM 0 HE1 NLE B 2 26.834 18.986 4.485 1.00 1.00 H new HETATM 0 HD3 NLE B 2 28.984 20.146 4.849 1.00 1.00 H new HETATM 0 HD2 NLE B 2 28.373 20.461 3.237 1.00 1.00 H new HETATM 0 HB3 NLE B 2 30.213 17.236 4.235 1.00 1.00 H new HETATM 0 HB2 NLE B 2 30.819 18.553 5.220 1.00 1.00 H new HETATM 0 HA NLE B 2 32.664 17.142 4.471 1.00 1.00 H new HETATM 0 H NLE B 2 33.542 19.323 2.910 1.00 1.00 H new HETATM 244 N DNE B 3 31.693 15.896 2.404 1.00 1.00 N HETATM 245 CA DNE B 3 31.624 14.992 1.268 1.00 1.00 C HETATM 246 C DNE B 3 32.444 13.753 1.622 1.00 1.00 C HETATM 247 O DNE B 3 31.948 12.839 2.282 1.00 1.00 O HETATM 248 CB DNE B 3 30.160 14.635 0.977 1.00 1.00 C HETATM 249 CG DNE B 3 29.366 15.870 0.531 1.00 1.00 C HETATM 250 CD DNE B 3 27.877 15.564 0.323 1.00 1.00 C HETATM 251 CE DNE B 3 27.632 14.581 -0.825 1.00 1.00 C HETATM 0 HG3 DNE B 3 29.472 16.656 1.279 1.00 1.00 H new HETATM 0 HG2 DNE B 3 29.788 16.254 -0.397 1.00 1.00 H new HETATM 0 HE3 DNE B 3 28.019 15.001 -1.753 1.00 1.00 H new HETATM 0 HE2 DNE B 3 28.140 13.640 -0.613 1.00 1.00 H new HETATM 0 HE1 DNE B 3 26.562 14.401 -0.927 1.00 1.00 H new HETATM 0 HD3 DNE B 3 27.463 15.152 1.243 1.00 1.00 H new HETATM 0 HD2 DNE B 3 27.344 16.493 0.121 1.00 1.00 H new HETATM 0 HB3 DNE B 3 30.117 13.871 0.200 1.00 1.00 H new HETATM 0 HB2 DNE B 3 29.703 14.208 1.870 1.00 1.00 H new HETATM 0 HA DNE B 3 32.028 15.453 0.367 1.00 1.00 H new HETATM 263 N NLE B 4 33.708 13.736 1.208 1.00 1.00 N HETATM 264 CA NLE B 4 34.656 12.686 1.545 1.00 1.00 C HETATM 265 C NLE B 4 35.416 13.153 2.791 1.00 1.00 C HETATM 266 O NLE B 4 35.406 14.339 3.104 1.00 1.00 O HETATM 267 CB NLE B 4 35.620 12.423 0.378 1.00 1.00 C HETATM 268 CG NLE B 4 34.872 12.148 -0.932 1.00 1.00 C HETATM 269 CD NLE B 4 35.866 11.819 -2.050 1.00 1.00 C HETATM 270 CE NLE B 4 35.128 11.580 -3.368 1.00 1.00 C HETATM 0 HG3 NLE B 4 34.179 11.318 -0.796 1.00 1.00 H new HETATM 0 HG2 NLE B 4 34.277 13.018 -1.209 1.00 1.00 H new HETATM 0 HE3 NLE B 4 34.437 10.745 -3.252 1.00 1.00 H new HETATM 0 HE2 NLE B 4 34.572 12.477 -3.641 1.00 1.00 H new HETATM 0 HE1 NLE B 4 35.849 11.348 -4.152 1.00 1.00 H new HETATM 0 HD3 NLE B 4 36.576 12.638 -2.167 1.00 1.00 H new HETATM 0 HD2 NLE B 4 36.443 10.933 -1.783 1.00 1.00 H new HETATM 0 HB3 NLE B 4 36.275 13.284 0.248 1.00 1.00 H new HETATM 0 HB2 NLE B 4 36.257 11.571 0.618 1.00 1.00 H new HETATM 0 HA NLE B 4 34.138 11.747 1.741 1.00 1.00 H new HETATM 282 N DNE B 5 36.098 12.250 3.492 1.00 1.00 N HETATM 283 CA DNE B 5 36.987 12.598 4.593 1.00 1.00 C HETATM 284 C DNE B 5 36.722 11.744 5.832 1.00 1.00 C HETATM 285 O DNE B 5 37.206 10.618 5.905 1.00 1.00 O HETATM 286 CB DNE B 5 38.401 12.393 4.065 1.00 1.00 C HETATM 287 CG DNE B 5 39.493 12.736 5.087 1.00 1.00 C HETATM 288 CD DNE B 5 40.876 12.572 4.452 1.00 1.00 C HETATM 289 CE DNE B 5 41.973 12.917 5.462 1.00 1.00 C HETATM 0 HG3 DNE B 5 39.365 13.760 5.439 1.00 1.00 H new HETATM 0 HG2 DNE B 5 39.404 12.086 5.958 1.00 1.00 H new HETATM 0 HE3 DNE B 5 41.854 13.950 5.790 1.00 1.00 H new HETATM 0 HE2 DNE B 5 41.897 12.252 6.323 1.00 1.00 H new HETATM 0 HE1 DNE B 5 42.950 12.795 4.994 1.00 1.00 H new HETATM 0 HD3 DNE B 5 41.004 11.547 4.103 1.00 1.00 H new HETATM 0 HD2 DNE B 5 40.961 13.219 3.579 1.00 1.00 H new HETATM 0 HB3 DNE B 5 38.518 11.354 3.756 1.00 1.00 H new HETATM 0 HB2 DNE B 5 38.541 13.008 3.176 1.00 1.00 H new HETATM 0 HA DNE B 5 36.827 13.627 4.915 1.00 1.00 H new HETATM 0 H DNE B 5 35.405 11.511 3.610 1.00 1.00 H new HETATM 301 N NLE B 6 35.989 12.264 6.818 1.00 1.00 N HETATM 302 CA NLE B 6 35.709 11.545 8.057 1.00 1.00 C HETATM 303 C NLE B 6 34.334 11.931 8.616 1.00 1.00 C HETATM 304 O NLE B 6 33.905 13.056 8.380 1.00 1.00 O HETATM 305 CB NLE B 6 36.836 11.816 9.070 1.00 1.00 C HETATM 306 CG NLE B 6 37.039 13.314 9.351 1.00 1.00 C HETATM 307 CD NLE B 6 38.209 13.572 10.308 1.00 1.00 C HETATM 308 CE NLE B 6 37.952 13.024 11.716 1.00 1.00 C HETATM 0 HG3 NLE B 6 37.219 13.837 8.412 1.00 1.00 H new HETATM 0 HG2 NLE B 6 36.125 13.729 9.777 1.00 1.00 H new HETATM 0 HE3 NLE B 6 37.066 13.500 12.136 1.00 1.00 H new HETATM 0 HE2 NLE B 6 37.794 11.947 11.664 1.00 1.00 H new HETATM 0 HE1 NLE B 6 38.812 13.235 12.351 1.00 1.00 H new HETATM 0 HD3 NLE B 6 39.112 13.114 9.903 1.00 1.00 H new HETATM 0 HD2 NLE B 6 38.395 14.644 10.368 1.00 1.00 H new HETATM 0 HB3 NLE B 6 36.609 11.303 10.005 1.00 1.00 H new HETATM 0 HB2 NLE B 6 37.767 11.393 8.693 1.00 1.00 H new HETATM 0 HA NLE B 6 35.677 10.474 7.855 1.00 1.00 H new HETATM 0 H NLE B 6 35.304 12.920 6.443 1.00 1.00 H new HETATM 320 C DNM B 7 31.334 10.231 9.846 1.00 1.00 C HETATM 321 N DNM B 7 33.624 11.054 9.353 1.00 1.00 N HETATM 322 O DNM B 7 30.633 9.980 10.824 1.00 1.00 O HETATM 323 C1 DNM B 7 34.073 9.686 9.637 1.00 1.00 C HETATM 324 CA DNM B 7 32.283 11.432 9.830 1.00 1.00 C HETATM 325 CB DNM B 7 32.370 12.185 11.171 1.00 1.00 C HETATM 326 CD DNM B 7 33.159 12.263 13.559 1.00 1.00 C HETATM 327 CE DNM B 7 34.017 11.576 14.624 1.00 1.00 C HETATM 328 CG DNM B 7 33.160 11.448 12.263 1.00 1.00 C HETATM 0 HGA DNM B 7 32.719 10.467 12.441 1.00 1.00 H new HETATM 0 HG DNM B 7 34.185 11.281 11.931 1.00 1.00 H new HETATM 0 HEB DNM B 7 33.616 10.583 14.830 1.00 1.00 H new HETATM 0 HEA DNM B 7 35.042 11.486 14.263 1.00 1.00 H new HETATM 0 HE DNM B 7 34.005 12.169 15.539 1.00 1.00 H new HETATM 0 HDA DNM B 7 32.138 12.377 13.924 1.00 1.00 H new HETATM 0 HD DNM B 7 33.542 13.265 13.366 1.00 1.00 H new HETATM 0 HBA DNM B 7 32.832 13.157 10.999 1.00 1.00 H new HETATM 0 HB DNM B 7 31.360 12.373 11.535 1.00 1.00 H new HETATM 0 HA DNM B 7 31.842 12.134 9.122 1.00 1.00 H new HETATM 0 H1B DNM B 7 34.091 9.525 10.715 1.00 1.00 H new HETATM 0 H1A DNM B 7 33.388 8.975 9.175 1.00 1.00 H new HETATM 0 H1 DNM B 7 35.074 9.540 9.232 1.00 1.00 H new HETATM 342 N NLE B 8 31.342 9.471 8.749 1.00 1.00 N HETATM 343 CA NLE B 8 30.614 8.224 8.589 1.00 1.00 C HETATM 344 C NLE B 8 31.167 7.079 9.456 1.00 1.00 C HETATM 345 O NLE B 8 31.566 6.041 8.938 1.00 1.00 O HETATM 346 CB NLE B 8 30.559 7.879 7.092 1.00 1.00 C HETATM 347 CG NLE B 8 29.537 6.799 6.703 1.00 1.00 C HETATM 348 CD NLE B 8 28.092 7.219 6.996 1.00 1.00 C HETATM 349 CE NLE B 8 27.113 6.205 6.399 1.00 1.00 C HETATM 0 HG3 NLE B 8 29.638 6.575 5.641 1.00 1.00 H new HETATM 0 HG2 NLE B 8 29.761 5.880 7.245 1.00 1.00 H new HETATM 0 HE3 NLE B 8 27.256 6.153 5.320 1.00 1.00 H new HETATM 0 HE2 NLE B 8 27.294 5.223 6.837 1.00 1.00 H new HETATM 0 HE1 NLE B 8 26.091 6.516 6.615 1.00 1.00 H new HETATM 0 HD3 NLE B 8 27.939 7.293 8.073 1.00 1.00 H new HETATM 0 HD2 NLE B 8 27.902 8.208 6.579 1.00 1.00 H new HETATM 0 HB3 NLE B 8 30.332 8.788 6.535 1.00 1.00 H new HETATM 0 HB2 NLE B 8 31.549 7.550 6.775 1.00 1.00 H new HETATM 0 HA NLE B 8 29.598 8.360 8.959 1.00 1.00 H new HETATM 361 N DNE B 9 31.159 7.269 10.781 1.00 1.00 N HETATM 362 CA DNE B 9 31.507 6.279 11.801 1.00 1.00 C HETATM 363 C DNE B 9 32.692 5.394 11.398 1.00 1.00 C HETATM 364 O DNE B 9 32.602 4.170 11.449 1.00 1.00 O HETATM 365 CB DNE B 9 31.787 6.989 13.134 1.00 1.00 C HETATM 366 CG DNE B 9 30.520 7.641 13.710 1.00 1.00 C HETATM 367 CD DNE B 9 30.813 8.474 14.964 1.00 1.00 C HETATM 368 CE DNE B 9 31.364 7.634 16.120 1.00 1.00 C HETATM 0 HG3 DNE B 9 30.065 8.278 12.952 1.00 1.00 H new HETATM 0 HG2 DNE B 9 29.793 6.866 13.953 1.00 1.00 H new HETATM 0 HE3 DNE B 9 30.637 6.868 16.392 1.00 1.00 H new HETATM 0 HE2 DNE B 9 32.295 7.158 15.812 1.00 1.00 H new HETATM 0 HE1 DNE B 9 31.552 8.277 16.980 1.00 1.00 H new HETATM 0 HD3 DNE B 9 31.530 9.256 14.715 1.00 1.00 H new HETATM 0 HD2 DNE B 9 29.898 8.971 15.286 1.00 1.00 H new HETATM 0 HB3 DNE B 9 32.185 6.271 13.852 1.00 1.00 H new HETATM 0 HB2 DNE B 9 32.553 7.750 12.987 1.00 1.00 H new HETATM 0 HA DNE B 9 30.653 5.611 11.911 1.00 1.00 H new HETATM 0 H2 DNE B 9 30.385 7.914 10.940 1.00 1.00 H new HETATM 380 N NLO B 10 33.798 6.021 11.000 1.00 1.00 N HETATM 381 CA NLO B 10 34.987 5.357 10.490 1.00 1.00 C HETATM 382 C NLO B 10 36.150 6.336 10.641 1.00 1.00 C HETATM 383 O NLO B 10 35.896 7.538 10.720 1.00 1.00 O HETATM 384 CB NLO B 10 34.723 4.964 9.027 1.00 1.00 C HETATM 385 CG NLO B 10 35.936 4.370 8.298 1.00 1.00 C HETATM 386 CD NLO B 10 35.624 4.072 6.826 1.00 1.00 C HETATM 387 CE NLO B 10 34.583 2.963 6.651 1.00 1.00 C HETATM 388 OH NLO B 10 37.406 5.791 10.682 1.00 1.00 O HETATM 389 C1 NLO B 10 38.424 6.774 10.774 1.00 1.00 C HETATM 0 HG3 NLO B 10 36.773 5.065 8.359 1.00 1.00 H new HETATM 0 HG2 NLO B 10 36.247 3.452 8.797 1.00 1.00 H new HETATM 0 HE3 NLO B 10 34.951 2.043 7.105 1.00 1.00 H new HETATM 0 HE2 NLO B 10 33.652 3.258 7.134 1.00 1.00 H new HETATM 0 HE1 NLO B 10 34.403 2.797 5.589 1.00 1.00 H new HETATM 0 HD3 NLO B 10 35.263 4.981 6.345 1.00 1.00 H new HETATM 0 HD2 NLO B 10 36.543 3.784 6.316 1.00 1.00 H new HETATM 0 HB3 NLO B 10 33.909 4.240 9.000 1.00 1.00 H new HETATM 0 HB2 NLO B 10 34.384 5.846 8.483 1.00 1.00 H new HETATM 0 HA NLO B 10 35.234 4.445 11.034 1.00 1.00 H new HETATM 0 H13 NLO B 10 38.373 7.433 9.907 1.00 1.00 H new HETATM 0 H12 NLO B 10 38.284 7.359 11.683 1.00 1.00 H new HETATM 0 H11 NLO B 10 39.399 6.287 10.803 1.00 1.00 H new HETATM 0 H NLO B 10 33.862 6.971 11.366 1.00 1.00 H new TER 404 NLO B 10