USER MOD reduce.3.24.130724 H: found=0, std=0, add=221, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 232 hydrogens (232 hets) HETATM 1 C DNG A 1 35.208 8.871 4.381 1.00 1.00 C HETATM 2 N DNG A 1 36.339 8.087 6.380 1.00 1.00 N HETATM 3 O DNG A 1 35.423 9.289 3.243 1.00 1.00 O HETATM 4 C1 DNG A 1 36.004 7.361 7.442 1.00 1.00 C HETATM 5 O1 DNG A 1 35.460 6.262 7.373 1.00 1.00 O HETATM 6 CA DNG A 1 36.051 7.749 4.995 1.00 1.00 C HETATM 7 CB DNG A 1 37.363 7.531 4.228 1.00 1.00 C HETATM 8 CD DNG A 1 39.365 5.978 3.960 1.00 1.00 C HETATM 9 CE DNG A 1 40.355 7.118 3.709 1.00 1.00 C HETATM 10 CG DNG A 1 38.197 6.407 4.858 1.00 1.00 C HETATM 0 HGA DNG A 1 38.585 6.741 5.821 1.00 1.00 H new HETATM 0 HG DNG A 1 37.556 5.547 5.053 1.00 1.00 H new HETATM 0 HEB DNG A 1 39.841 7.946 3.220 1.00 1.00 H new HETATM 0 HEA DNG A 1 40.768 7.457 4.659 1.00 1.00 H new HETATM 0 HE DNG A 1 41.163 6.764 3.069 1.00 1.00 H new HETATM 0 HDA DNG A 1 38.975 5.622 3.006 1.00 1.00 H new HETATM 0 HD DNG A 1 39.888 5.141 4.423 1.00 1.00 H new HETATM 0 HC1 DNG A 1 36.225 7.764 8.430 1.00 1.00 H new HETATM 0 HBA DNG A 1 37.143 7.285 3.189 1.00 1.00 H new HETATM 0 HB DNG A 1 37.941 8.455 4.221 1.00 1.00 H new HETATM 0 HA DNG A 1 35.484 6.820 4.936 1.00 1.00 H new HETATM 0 H DNG A 1 36.842 8.958 6.551 1.00 1.00 H new HETATM 23 N NLE A 2 34.229 9.368 5.137 1.00 1.00 N HETATM 24 CA NLE A 2 33.193 10.254 4.640 1.00 1.00 C HETATM 25 C NLE A 2 32.581 11.103 5.747 1.00 1.00 C HETATM 26 O NLE A 2 32.871 10.909 6.925 1.00 1.00 O HETATM 27 CB NLE A 2 32.141 9.439 3.869 1.00 1.00 C HETATM 28 CG NLE A 2 31.483 8.356 4.739 1.00 1.00 C HETATM 29 CD NLE A 2 30.551 7.452 3.923 1.00 1.00 C HETATM 30 CE NLE A 2 29.328 8.192 3.373 1.00 1.00 C HETATM 0 HG3 NLE A 2 32.257 7.749 5.209 1.00 1.00 H new HETATM 0 HG2 NLE A 2 30.918 8.830 5.542 1.00 1.00 H new HETATM 0 HE3 NLE A 2 28.749 8.603 4.200 1.00 1.00 H new HETATM 0 HE2 NLE A 2 29.656 9.002 2.722 1.00 1.00 H new HETATM 0 HE1 NLE A 2 28.708 7.498 2.805 1.00 1.00 H new HETATM 0 HD3 NLE A 2 31.110 7.018 3.093 1.00 1.00 H new HETATM 0 HD2 NLE A 2 30.217 6.625 4.549 1.00 1.00 H new HETATM 0 HB3 NLE A 2 31.372 10.112 3.488 1.00 1.00 H new HETATM 0 HB2 NLE A 2 32.611 8.970 3.004 1.00 1.00 H new HETATM 0 HA NLE A 2 33.646 10.964 3.948 1.00 1.00 H new HETATM 0 H NLE A 2 34.467 9.368 6.129 1.00 1.00 H new HETATM 42 N DNE A 3 31.722 12.038 5.344 1.00 1.00 N HETATM 43 CA DNE A 3 30.944 12.900 6.213 1.00 1.00 C HETATM 44 C DNE A 3 31.525 14.305 6.112 1.00 1.00 C HETATM 45 O DNE A 3 31.114 15.090 5.256 1.00 1.00 O HETATM 46 CB DNE A 3 29.482 12.870 5.754 1.00 1.00 C HETATM 47 CG DNE A 3 28.914 11.448 5.801 1.00 1.00 C HETATM 48 CD DNE A 3 27.460 11.379 5.317 1.00 1.00 C HETATM 49 CE DNE A 3 27.314 11.729 3.832 1.00 1.00 C HETATM 0 HG3 DNE A 3 29.530 10.794 5.184 1.00 1.00 H new HETATM 0 HG2 DNE A 3 28.972 11.071 6.822 1.00 1.00 H new HETATM 0 HE3 DNE A 3 27.675 12.743 3.660 1.00 1.00 H new HETATM 0 HE2 DNE A 3 27.898 11.029 3.234 1.00 1.00 H new HETATM 0 HE1 DNE A 3 26.265 11.664 3.544 1.00 1.00 H new HETATM 0 HD3 DNE A 3 27.071 10.375 5.490 1.00 1.00 H new HETATM 0 HD2 DNE A 3 26.851 12.063 5.909 1.00 1.00 H new HETATM 0 HB3 DNE A 3 28.885 13.524 6.390 1.00 1.00 H new HETATM 0 HB2 DNE A 3 29.409 13.260 4.739 1.00 1.00 H new HETATM 0 HA DNE A 3 30.983 12.569 7.251 1.00 1.00 H new HETATM 61 N NLE A 4 32.500 14.618 6.962 1.00 1.00 N HETATM 62 CA NLE A 4 33.201 15.894 6.907 1.00 1.00 C HETATM 63 C NLE A 4 34.470 15.679 6.077 1.00 1.00 C HETATM 64 O NLE A 4 34.893 14.543 5.889 1.00 1.00 O HETATM 65 CB NLE A 4 33.527 16.425 8.309 1.00 1.00 C HETATM 66 CG NLE A 4 32.258 16.570 9.160 1.00 1.00 C HETATM 67 CD NLE A 4 32.530 17.249 10.509 1.00 1.00 C HETATM 68 CE NLE A 4 32.852 18.740 10.363 1.00 1.00 C HETATM 0 HG3 NLE A 4 31.518 17.150 8.608 1.00 1.00 H new HETATM 0 HG2 NLE A 4 31.826 15.584 9.333 1.00 1.00 H new HETATM 0 HE3 NLE A 4 33.740 18.861 9.742 1.00 1.00 H new HETATM 0 HE2 NLE A 4 32.010 19.250 9.895 1.00 1.00 H new HETATM 0 HE1 NLE A 4 33.036 19.171 11.347 1.00 1.00 H new HETATM 0 HD3 NLE A 4 31.659 17.130 11.154 1.00 1.00 H new HETATM 0 HD2 NLE A 4 33.363 16.748 11.003 1.00 1.00 H new HETATM 0 HB3 NLE A 4 34.224 15.748 8.804 1.00 1.00 H new HETATM 0 HB2 NLE A 4 34.025 17.391 8.227 1.00 1.00 H new HETATM 0 HA NLE A 4 32.568 16.651 6.444 1.00 1.00 H new HETATM 80 N DNE A 5 35.097 16.750 5.600 1.00 1.00 N HETATM 81 CA DNE A 5 36.409 16.707 4.969 1.00 1.00 C HETATM 82 C DNE A 5 36.411 17.437 3.624 1.00 1.00 C HETATM 83 O DNE A 5 36.512 18.660 3.606 1.00 1.00 O HETATM 84 CB DNE A 5 37.351 17.368 5.974 1.00 1.00 C HETATM 85 CG DNE A 5 38.810 17.537 5.528 1.00 1.00 C HETATM 86 CD DNE A 5 39.461 16.191 5.196 1.00 1.00 C HETATM 87 CE DNE A 5 40.950 16.370 4.898 1.00 1.00 C HETATM 0 HG3 DNE A 5 38.850 18.186 4.653 1.00 1.00 H new HETATM 0 HG2 DNE A 5 39.377 18.030 6.317 1.00 1.00 H new HETATM 0 HE3 DNE A 5 41.073 17.040 4.047 1.00 1.00 H new HETATM 0 HE2 DNE A 5 41.447 16.796 5.770 1.00 1.00 H new HETATM 0 HE1 DNE A 5 41.393 15.402 4.665 1.00 1.00 H new HETATM 0 HD3 DNE A 5 39.332 15.503 6.032 1.00 1.00 H new HETATM 0 HD2 DNE A 5 38.964 15.743 4.335 1.00 1.00 H new HETATM 0 HB3 DNE A 5 36.952 18.352 6.221 1.00 1.00 H new HETATM 0 HB2 DNE A 5 37.340 16.780 6.892 1.00 1.00 H new HETATM 0 HA DNE A 5 36.716 15.687 4.739 1.00 1.00 H new HETATM 99 N NLE A 6 36.326 16.718 2.501 1.00 1.00 N HETATM 100 CA NLE A 6 36.350 17.316 1.165 1.00 1.00 C HETATM 101 C NLE A 6 35.412 16.561 0.215 1.00 1.00 C HETATM 102 O NLE A 6 35.194 15.376 0.436 1.00 1.00 O HETATM 103 CB NLE A 6 37.782 17.284 0.604 1.00 1.00 C HETATM 104 CG NLE A 6 38.734 18.216 1.362 1.00 1.00 C HETATM 105 CD NLE A 6 40.090 18.287 0.653 1.00 1.00 C HETATM 106 CE NLE A 6 41.023 19.256 1.382 1.00 1.00 C HETATM 0 HG3 NLE A 6 38.299 19.213 1.430 1.00 1.00 H new HETATM 0 HG2 NLE A 6 38.868 17.857 2.382 1.00 1.00 H new HETATM 0 HE3 NLE A 6 40.577 20.250 1.395 1.00 1.00 H new HETATM 0 HE2 NLE A 6 41.175 18.914 2.406 1.00 1.00 H new HETATM 0 HE1 NLE A 6 41.982 19.295 0.866 1.00 1.00 H new HETATM 0 HD3 NLE A 6 40.541 17.295 0.617 1.00 1.00 H new HETATM 0 HD2 NLE A 6 39.952 18.612 -0.378 1.00 1.00 H new HETATM 0 HB3 NLE A 6 38.164 16.264 0.651 1.00 1.00 H new HETATM 0 HB2 NLE A 6 37.762 17.568 -0.448 1.00 1.00 H new HETATM 0 HA NLE A 6 36.011 18.349 1.245 1.00 1.00 H new HETATM 0 H NLE A 6 35.734 15.908 2.687 1.00 1.00 H new HETATM 118 C DNM A 7 32.816 17.277 -2.229 1.00 1.00 C HETATM 119 N DNM A 7 34.872 17.191 -0.848 1.00 1.00 N HETATM 120 O DNM A 7 32.429 17.278 -3.397 1.00 1.00 O HETATM 121 C1 DNM A 7 35.025 18.631 -1.093 1.00 1.00 C HETATM 122 CA DNM A 7 34.024 16.441 -1.796 1.00 1.00 C HETATM 123 CB DNM A 7 34.852 16.001 -3.017 1.00 1.00 C HETATM 124 CD DNM A 7 36.780 14.643 -3.896 1.00 1.00 C HETATM 125 CE DNM A 7 38.070 13.906 -3.527 1.00 1.00 C HETATM 126 CG DNM A 7 36.093 15.182 -2.638 1.00 1.00 C HETATM 0 HGA DNM A 7 36.788 15.803 -2.074 1.00 1.00 H new HETATM 0 HG DNM A 7 35.806 14.354 -1.989 1.00 1.00 H new HETATM 0 HEB DNM A 7 38.748 14.592 -3.019 1.00 1.00 H new HETATM 0 HEA DNM A 7 37.836 13.071 -2.866 1.00 1.00 H new HETATM 0 HE DNM A 7 38.546 13.529 -4.433 1.00 1.00 H new HETATM 0 HDA DNM A 7 37.005 15.465 -4.575 1.00 1.00 H new HETATM 0 HD DNM A 7 36.107 13.968 -4.425 1.00 1.00 H new HETATM 0 HBA DNM A 7 34.222 15.409 -3.682 1.00 1.00 H new HETATM 0 HB DNM A 7 35.163 16.884 -3.575 1.00 1.00 H new HETATM 0 HA DNM A 7 33.649 15.550 -1.293 1.00 1.00 H new HETATM 0 H1B DNM A 7 35.471 18.788 -2.075 1.00 1.00 H new HETATM 0 H1A DNM A 7 34.047 19.112 -1.058 1.00 1.00 H new HETATM 0 H1 DNM A 7 35.670 19.064 -0.328 1.00 1.00 H new HETATM 140 N NLE A 8 32.258 18.045 -1.293 1.00 1.00 N HETATM 141 CA NLE A 8 31.334 19.117 -1.591 1.00 1.00 C HETATM 142 C NLE A 8 32.047 20.241 -2.359 1.00 1.00 C HETATM 143 O NLE A 8 32.334 21.307 -1.820 1.00 1.00 O HETATM 144 CB NLE A 8 30.647 19.597 -0.305 1.00 1.00 C HETATM 145 CG NLE A 8 29.470 20.530 -0.624 1.00 1.00 C HETATM 146 CD NLE A 8 28.736 20.925 0.659 1.00 1.00 C HETATM 147 CE NLE A 8 27.583 21.881 0.346 1.00 1.00 C HETATM 0 HG3 NLE A 8 29.834 21.423 -1.132 1.00 1.00 H new HETATM 0 HG2 NLE A 8 28.780 20.034 -1.307 1.00 1.00 H new HETATM 0 HE3 NLE A 8 27.975 22.781 -0.128 1.00 1.00 H new HETATM 0 HE2 NLE A 8 26.879 21.393 -0.328 1.00 1.00 H new HETATM 0 HE1 NLE A 8 27.073 22.151 1.271 1.00 1.00 H new HETATM 0 HD3 NLE A 8 28.352 20.033 1.154 1.00 1.00 H new HETATM 0 HD2 NLE A 8 29.432 21.400 1.351 1.00 1.00 H new HETATM 0 HB3 NLE A 8 30.291 18.738 0.263 1.00 1.00 H new HETATM 0 HB2 NLE A 8 31.369 20.118 0.324 1.00 1.00 H new HETATM 0 HA NLE A 8 30.544 18.752 -2.247 1.00 1.00 H new HETATM 159 N DNE A 9 32.331 20.004 -3.640 1.00 1.00 N HETATM 160 CA DNE A 9 32.792 21.012 -4.588 1.00 1.00 C HETATM 161 C DNE A 9 34.284 21.344 -4.440 1.00 1.00 C HETATM 162 O DNE A 9 35.016 21.354 -5.427 1.00 1.00 O HETATM 163 CB DNE A 9 32.451 20.553 -6.014 1.00 1.00 C HETATM 164 CG DNE A 9 30.947 20.300 -6.193 1.00 1.00 C HETATM 165 CD DNE A 9 30.642 19.934 -7.649 1.00 1.00 C HETATM 166 CE DNE A 9 29.145 19.675 -7.833 1.00 1.00 C HETATM 0 HG3 DNE A 9 30.625 19.495 -5.533 1.00 1.00 H new HETATM 0 HG2 DNE A 9 30.385 21.189 -5.908 1.00 1.00 H new HETATM 0 HE3 DNE A 9 28.836 18.852 -7.189 1.00 1.00 H new HETATM 0 HE2 DNE A 9 28.585 20.572 -7.569 1.00 1.00 H new HETATM 0 HE1 DNE A 9 28.946 19.416 -8.873 1.00 1.00 H new HETATM 0 HD3 DNE A 9 30.961 20.741 -8.308 1.00 1.00 H new HETATM 0 HD2 DNE A 9 31.208 19.047 -7.934 1.00 1.00 H new HETATM 0 HB3 DNE A 9 32.779 21.310 -6.727 1.00 1.00 H new HETATM 0 HB2 DNE A 9 33.002 19.641 -6.243 1.00 1.00 H new HETATM 0 HA DNE A 9 32.270 21.944 -4.369 1.00 1.00 H new HETATM 178 N NLO A 10 34.739 21.643 -3.221 1.00 1.00 N HETATM 179 CA NLO A 10 36.099 22.112 -2.979 1.00 1.00 C HETATM 180 C NLO A 10 37.154 21.109 -3.457 1.00 1.00 C HETATM 181 O NLO A 10 38.267 21.526 -3.774 1.00 1.00 O HETATM 182 CB NLO A 10 36.308 22.438 -1.494 1.00 1.00 C HETATM 183 CG NLO A 10 35.178 23.297 -0.911 1.00 1.00 C HETATM 184 CD NLO A 10 35.659 24.053 0.333 1.00 1.00 C HETATM 185 CE NLO A 10 34.478 24.723 1.038 1.00 1.00 C HETATM 186 OH NLO A 10 36.769 19.794 -3.472 1.00 1.00 O HETATM 187 C1 NLO A 10 37.868 18.906 -3.495 1.00 1.00 C HETATM 0 HG3 NLO A 10 34.829 24.006 -1.662 1.00 1.00 H new HETATM 0 HG2 NLO A 10 34.329 22.664 -0.652 1.00 1.00 H new HETATM 0 HE3 NLO A 10 34.000 25.427 0.357 1.00 1.00 H new HETATM 0 HE2 NLO A 10 33.757 23.964 1.340 1.00 1.00 H new HETATM 0 HE1 NLO A 10 34.835 25.256 1.919 1.00 1.00 H new HETATM 0 HD3 NLO A 10 36.155 23.364 1.016 1.00 1.00 H new HETATM 0 HD2 NLO A 10 36.395 24.805 0.048 1.00 1.00 H new HETATM 0 HB3 NLO A 10 36.381 21.509 -0.929 1.00 1.00 H new HETATM 0 HB2 NLO A 10 37.257 22.961 -1.371 1.00 1.00 H new HETATM 0 HA NLO A 10 36.227 23.023 -3.563 1.00 1.00 H new HETATM 0 H13 NLO A 10 38.465 19.090 -4.388 1.00 1.00 H new HETATM 0 H12 NLO A 10 38.482 19.064 -2.609 1.00 1.00 H new HETATM 0 H11 NLO A 10 37.505 17.878 -3.506 1.00 1.00 H new TER 202 NLO A 10 HETATM 203 C DNG B 1 33.821 19.788 4.591 1.00 1.00 C HETATM 204 N DNG B 1 35.387 21.140 3.254 1.00 1.00 N HETATM 205 O DNG B 1 33.893 19.325 5.730 1.00 1.00 O HETATM 206 C1 DNG B 1 35.164 20.915 1.960 1.00 1.00 C HETATM 207 O1 DNG B 1 34.042 20.720 1.500 1.00 1.00 O HETATM 208 CA DNG B 1 34.340 21.197 4.262 1.00 1.00 C HETATM 209 CB DNG B 1 34.869 21.950 5.495 1.00 1.00 C HETATM 210 CD DNG B 1 34.311 23.134 7.643 1.00 1.00 C HETATM 211 CE DNG B 1 33.189 23.556 8.593 1.00 1.00 C HETATM 212 CG DNG B 1 33.738 22.379 6.440 1.00 1.00 C HETATM 0 HGA DNG B 1 33.030 23.014 5.907 1.00 1.00 H new HETATM 0 HG DNG B 1 33.187 21.502 6.781 1.00 1.00 H new HETATM 0 HEB DNG B 1 32.491 24.207 8.066 1.00 1.00 H new HETATM 0 HEA DNG B 1 32.661 22.671 8.949 1.00 1.00 H new HETATM 0 HE DNG B 1 33.613 24.091 9.442 1.00 1.00 H new HETATM 0 HDA DNG B 1 34.857 24.014 7.302 1.00 1.00 H new HETATM 0 HD DNG B 1 35.024 22.501 8.171 1.00 1.00 H new HETATM 0 HC1 DNG B 1 36.015 20.903 1.279 1.00 1.00 H new HETATM 0 HBA DNG B 1 35.570 21.313 6.035 1.00 1.00 H new HETATM 0 HB DNG B 1 35.423 22.831 5.171 1.00 1.00 H new HETATM 0 HA DNG B 1 33.481 21.749 3.881 1.00 1.00 H new HETATM 0 H DNG B 1 36.351 21.281 3.556 1.00 1.00 H new HETATM 225 N NLE B 2 33.262 19.103 3.595 1.00 1.00 N HETATM 226 CA NLE B 2 32.431 17.922 3.771 1.00 1.00 C HETATM 227 C NLE B 2 32.272 17.111 2.488 1.00 1.00 C HETATM 228 O NLE B 2 32.747 17.511 1.427 1.00 1.00 O HETATM 229 CB NLE B 2 31.085 18.350 4.382 1.00 1.00 C HETATM 230 CG NLE B 2 30.355 19.380 3.507 1.00 1.00 C HETATM 231 CD NLE B 2 29.157 20.000 4.235 1.00 1.00 C HETATM 232 CE NLE B 2 29.574 20.945 5.367 1.00 1.00 C HETATM 0 HG3 NLE B 2 31.050 20.167 3.216 1.00 1.00 H new HETATM 0 HG2 NLE B 2 30.014 18.901 2.589 1.00 1.00 H new HETATM 0 HE3 NLE B 2 30.162 20.395 6.102 1.00 1.00 H new HETATM 0 HE2 NLE B 2 30.173 21.759 4.959 1.00 1.00 H new HETATM 0 HE1 NLE B 2 28.684 21.354 5.846 1.00 1.00 H new HETATM 0 HD3 NLE B 2 28.545 20.547 3.518 1.00 1.00 H new HETATM 0 HD2 NLE B 2 28.534 19.204 4.643 1.00 1.00 H new HETATM 0 HB3 NLE B 2 30.452 17.473 4.513 1.00 1.00 H new HETATM 0 HB2 NLE B 2 31.255 18.772 5.373 1.00 1.00 H new HETATM 0 HA NLE B 2 32.929 17.240 4.460 1.00 1.00 H new HETATM 0 H NLE B 2 33.667 19.310 2.682 1.00 1.00 H new HETATM 244 N DNE B 3 31.602 15.963 2.612 1.00 1.00 N HETATM 245 CA DNE B 3 31.349 14.999 1.553 1.00 1.00 C HETATM 246 C DNE B 3 32.120 13.729 1.909 1.00 1.00 C HETATM 247 O DNE B 3 31.621 12.870 2.638 1.00 1.00 O HETATM 248 CB DNE B 3 29.842 14.728 1.441 1.00 1.00 C HETATM 249 CG DNE B 3 29.082 15.979 0.981 1.00 1.00 C HETATM 250 CD DNE B 3 27.565 15.761 0.948 1.00 1.00 C HETATM 251 CE DNE B 3 27.143 14.706 -0.079 1.00 1.00 C HETATM 0 HG3 DNE B 3 29.313 16.808 1.650 1.00 1.00 H new HETATM 0 HG2 DNE B 3 29.427 16.266 -0.012 1.00 1.00 H new HETATM 0 HE3 DNE B 3 27.457 15.021 -1.074 1.00 1.00 H new HETATM 0 HE2 DNE B 3 27.612 13.753 0.165 1.00 1.00 H new HETATM 0 HE1 DNE B 3 26.059 14.592 -0.059 1.00 1.00 H new HETATM 0 HD3 DNE B 3 27.224 15.456 1.937 1.00 1.00 H new HETATM 0 HD2 DNE B 3 27.071 16.705 0.717 1.00 1.00 H new HETATM 0 HB3 DNE B 3 29.668 13.915 0.736 1.00 1.00 H new HETATM 0 HB2 DNE B 3 29.457 14.401 2.407 1.00 1.00 H new HETATM 0 HA DNE B 3 31.679 15.375 0.585 1.00 1.00 H new HETATM 263 N NLE B 4 33.351 13.627 1.416 1.00 1.00 N HETATM 264 CA NLE B 4 34.266 12.544 1.736 1.00 1.00 C HETATM 265 C NLE B 4 35.183 13.037 2.863 1.00 1.00 C HETATM 266 O NLE B 4 35.297 14.241 3.074 1.00 1.00 O HETATM 267 CB NLE B 4 35.080 12.133 0.501 1.00 1.00 C HETATM 268 CG NLE B 4 34.168 11.769 -0.678 1.00 1.00 C HETATM 269 CD NLE B 4 34.992 11.185 -1.829 1.00 1.00 C HETATM 270 CE NLE B 4 34.092 10.881 -3.029 1.00 1.00 C HETATM 0 HG3 NLE B 4 33.418 11.047 -0.356 1.00 1.00 H new HETATM 0 HG2 NLE B 4 33.632 12.655 -1.019 1.00 1.00 H new HETATM 0 HE3 NLE B 4 33.329 10.160 -2.738 1.00 1.00 H new HETATM 0 HE2 NLE B 4 33.613 11.800 -3.367 1.00 1.00 H new HETATM 0 HE1 NLE B 4 34.693 10.467 -3.839 1.00 1.00 H new HETATM 0 HD3 NLE B 4 35.772 11.889 -2.120 1.00 1.00 H new HETATM 0 HD2 NLE B 4 35.492 10.274 -1.501 1.00 1.00 H new HETATM 0 HB3 NLE B 4 35.742 12.949 0.212 1.00 1.00 H new HETATM 0 HB2 NLE B 4 35.714 11.281 0.749 1.00 1.00 H new HETATM 0 HA NLE B 4 33.715 11.660 2.057 1.00 1.00 H new HETATM 282 N DNE B 5 35.865 12.136 3.567 1.00 1.00 N HETATM 283 CA DNE B 5 36.923 12.497 4.504 1.00 1.00 C HETATM 284 C DNE B 5 36.785 11.772 5.843 1.00 1.00 C HETATM 285 O DNE B 5 37.170 10.611 5.935 1.00 1.00 O HETATM 286 CB DNE B 5 38.224 12.127 3.799 1.00 1.00 C HETATM 287 CG DNE B 5 39.485 12.339 4.648 1.00 1.00 C HETATM 288 CD DNE B 5 40.763 12.249 3.805 1.00 1.00 C HETATM 289 CE DNE B 5 40.957 10.852 3.208 1.00 1.00 C HETATM 0 HG3 DNE B 5 39.437 13.314 5.132 1.00 1.00 H new HETATM 0 HG2 DNE B 5 39.519 11.591 5.440 1.00 1.00 H new HETATM 0 HE3 DNE B 5 41.027 10.119 4.012 1.00 1.00 H new HETATM 0 HE2 DNE B 5 40.109 10.609 2.568 1.00 1.00 H new HETATM 0 HE1 DNE B 5 41.874 10.832 2.619 1.00 1.00 H new HETATM 0 HD3 DNE B 5 40.720 12.984 3.001 1.00 1.00 H new HETATM 0 HD2 DNE B 5 41.624 12.502 4.423 1.00 1.00 H new HETATM 0 HB3 DNE B 5 38.175 11.081 3.497 1.00 1.00 H new HETATM 0 HB2 DNE B 5 38.310 12.718 2.887 1.00 1.00 H new HETATM 0 HA DNE B 5 36.882 13.557 4.755 1.00 1.00 H new HETATM 0 H DNE B 5 35.146 11.467 3.843 1.00 1.00 H new HETATM 301 N NLE B 6 36.277 12.430 6.888 1.00 1.00 N HETATM 302 CA NLE B 6 36.150 11.858 8.228 1.00 1.00 C HETATM 303 C NLE B 6 34.800 12.250 8.848 1.00 1.00 C HETATM 304 O NLE B 6 34.299 13.315 8.511 1.00 1.00 O HETATM 305 CB NLE B 6 37.296 12.381 9.109 1.00 1.00 C HETATM 306 CG NLE B 6 38.674 11.971 8.571 1.00 1.00 C HETATM 307 CD NLE B 6 39.800 12.281 9.565 1.00 1.00 C HETATM 308 CE NLE B 6 39.948 13.783 9.826 1.00 1.00 C HETATM 0 HG3 NLE B 6 38.672 10.904 8.348 1.00 1.00 H new HETATM 0 HG2 NLE B 6 38.866 12.492 7.633 1.00 1.00 H new HETATM 0 HE3 NLE B 6 40.174 14.294 8.890 1.00 1.00 H new HETATM 0 HE2 NLE B 6 39.018 14.174 10.238 1.00 1.00 H new HETATM 0 HE1 NLE B 6 40.758 13.951 10.536 1.00 1.00 H new HETATM 0 HD3 NLE B 6 39.602 11.769 10.506 1.00 1.00 H new HETATM 0 HD2 NLE B 6 40.740 11.887 9.180 1.00 1.00 H new HETATM 0 HB3 NLE B 6 37.240 13.468 9.168 1.00 1.00 H new HETATM 0 HB2 NLE B 6 37.176 12.000 10.123 1.00 1.00 H new HETATM 0 HA NLE B 6 36.201 10.771 8.161 1.00 1.00 H new HETATM 0 H NLE B 6 35.522 12.997 6.502 1.00 1.00 H new HETATM 320 C DNM B 7 31.959 10.629 10.444 1.00 1.00 C HETATM 321 N DNM B 7 34.204 11.448 9.752 1.00 1.00 N HETATM 322 O DNM B 7 31.438 10.323 11.514 1.00 1.00 O HETATM 323 C1 DNM B 7 34.742 10.141 10.125 1.00 1.00 C HETATM 324 CA DNM B 7 32.916 11.827 10.362 1.00 1.00 C HETATM 325 CB DNM B 7 33.155 12.447 11.750 1.00 1.00 C HETATM 326 CD DNM B 7 34.095 14.446 13.021 1.00 1.00 C HETATM 327 CE DNM B 7 34.668 13.610 14.170 1.00 1.00 C HETATM 328 CG DNM B 7 34.072 13.677 11.695 1.00 1.00 C HETATM 0 HGA DNM B 7 35.084 13.361 11.443 1.00 1.00 H new HETATM 0 HG DNM B 7 33.738 14.341 10.898 1.00 1.00 H new HETATM 0 HEB DNM B 7 34.059 12.717 14.309 1.00 1.00 H new HETATM 0 HEA DNM B 7 35.691 13.318 13.933 1.00 1.00 H new HETATM 0 HE DNM B 7 34.663 14.200 15.087 1.00 1.00 H new HETATM 0 HDA DNM B 7 33.082 14.760 13.274 1.00 1.00 H new HETATM 0 HD DNM B 7 34.690 15.352 12.902 1.00 1.00 H new HETATM 0 HBA DNM B 7 32.198 12.731 12.187 1.00 1.00 H new HETATM 0 HB DNM B 7 33.596 11.698 12.408 1.00 1.00 H new HETATM 0 HA DNM B 7 32.439 12.572 9.725 1.00 1.00 H new HETATM 0 H1B DNM B 7 34.902 10.107 11.203 1.00 1.00 H new HETATM 0 H1A DNM B 7 34.036 9.362 9.838 1.00 1.00 H new HETATM 0 H1 DNM B 7 35.690 9.978 9.613 1.00 1.00 H new HETATM 342 N NLE B 8 31.758 9.938 9.320 1.00 1.00 N HETATM 343 CA NLE B 8 31.050 8.666 9.262 1.00 1.00 C HETATM 344 C NLE B 8 31.902 7.627 8.527 1.00 1.00 C HETATM 345 O NLE B 8 32.911 7.953 7.899 1.00 1.00 O HETATM 346 CB NLE B 8 29.659 8.827 8.635 1.00 1.00 C HETATM 347 CG NLE B 8 28.806 9.827 9.426 1.00 1.00 C HETATM 348 CD NLE B 8 27.338 9.750 8.993 1.00 1.00 C HETATM 349 CE NLE B 8 26.516 10.829 9.701 1.00 1.00 C HETATM 0 HG3 NLE B 8 28.887 9.617 10.493 1.00 1.00 H new HETATM 0 HG2 NLE B 8 29.184 10.838 9.270 1.00 1.00 H new HETATM 0 HE3 NLE B 8 26.576 10.683 10.780 1.00 1.00 H new HETATM 0 HE2 NLE B 8 26.910 11.813 9.446 1.00 1.00 H new HETATM 0 HE1 NLE B 8 25.476 10.761 9.383 1.00 1.00 H new HETATM 0 HD3 NLE B 8 27.264 9.877 7.913 1.00 1.00 H new HETATM 0 HD2 NLE B 8 26.935 8.765 9.226 1.00 1.00 H new HETATM 0 HB3 NLE B 8 29.759 9.166 7.604 1.00 1.00 H new HETATM 0 HB2 NLE B 8 29.157 7.860 8.605 1.00 1.00 H new HETATM 0 HA NLE B 8 30.888 8.307 10.278 1.00 1.00 H new HETATM 361 N DNE B 9 31.480 6.368 8.645 1.00 1.00 N HETATM 362 CA DNE B 9 32.228 5.183 8.253 1.00 1.00 C HETATM 363 C DNE B 9 32.989 4.788 9.516 1.00 1.00 C HETATM 364 O DNE B 9 32.473 4.063 10.364 1.00 1.00 O HETATM 365 CB DNE B 9 31.268 4.081 7.786 1.00 1.00 C HETATM 366 CG DNE B 9 30.529 4.504 6.511 1.00 1.00 C HETATM 367 CD DNE B 9 29.610 3.379 6.025 1.00 1.00 C HETATM 368 CE DNE B 9 28.873 3.803 4.752 1.00 1.00 C HETATM 0 HG3 DNE B 9 29.943 5.402 6.705 1.00 1.00 H new HETATM 0 HG2 DNE B 9 31.249 4.755 5.732 1.00 1.00 H new HETATM 0 HE3 DNE B 9 28.271 4.688 4.958 1.00 1.00 H new HETATM 0 HE2 DNE B 9 29.598 4.031 3.971 1.00 1.00 H new HETATM 0 HE1 DNE B 9 28.224 2.992 4.420 1.00 1.00 H new HETATM 0 HD3 DNE B 9 30.196 2.481 5.831 1.00 1.00 H new HETATM 0 HD2 DNE B 9 28.889 3.128 6.803 1.00 1.00 H new HETATM 0 HB3 DNE B 9 31.825 3.162 7.601 1.00 1.00 H new HETATM 0 HB2 DNE B 9 30.547 3.863 8.574 1.00 1.00 H new HETATM 0 HA DNE B 9 32.905 5.355 7.416 1.00 1.00 H new HETATM 380 N NLO B 10 34.189 5.337 9.672 1.00 1.00 N HETATM 381 CA NLO B 10 34.879 5.403 10.948 1.00 1.00 C HETATM 382 C NLO B 10 34.169 6.479 11.778 1.00 1.00 C HETATM 383 O NLO B 10 33.485 7.330 11.202 1.00 1.00 O HETATM 384 CB NLO B 10 36.348 5.764 10.681 1.00 1.00 C HETATM 385 CG NLO B 10 37.230 5.790 11.934 1.00 1.00 C HETATM 386 CD NLO B 10 38.649 6.276 11.610 1.00 1.00 C HETATM 387 CE NLO B 10 39.415 5.312 10.698 1.00 1.00 C HETATM 388 OH NLO B 10 34.366 6.432 13.130 1.00 1.00 O HETATM 389 C1 NLO B 10 34.232 7.720 13.704 1.00 1.00 C HETATM 0 HG3 NLO B 10 36.782 6.444 12.683 1.00 1.00 H new HETATM 0 HG2 NLO B 10 37.276 4.792 12.369 1.00 1.00 H new HETATM 0 HE3 NLO B 10 39.500 4.341 11.185 1.00 1.00 H new HETATM 0 HE2 NLO B 10 38.879 5.200 9.755 1.00 1.00 H new HETATM 0 HE1 NLO B 10 40.411 5.709 10.504 1.00 1.00 H new HETATM 0 HD3 NLO B 10 38.592 7.254 11.131 1.00 1.00 H new HETATM 0 HD2 NLO B 10 39.204 6.408 12.539 1.00 1.00 H new HETATM 0 HB3 NLO B 10 36.763 5.046 9.974 1.00 1.00 H new HETATM 0 HB2 NLO B 10 36.388 6.743 10.203 1.00 1.00 H new HETATM 0 HA NLO B 10 34.860 4.458 11.490 1.00 1.00 H new HETATM 0 H13 NLO B 10 34.969 8.392 13.265 1.00 1.00 H new HETATM 0 H12 NLO B 10 33.230 8.103 13.509 1.00 1.00 H new HETATM 0 H11 NLO B 10 34.393 7.657 14.780 1.00 1.00 H new TER 404 NLO B 10