USER MOD reduce.3.24.130724 H: found=0, std=0, add=222, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 232 hydrogens (232 hets) HETATM 1 C DNG A 1 37.018 9.598 4.312 1.00 1.00 C HETATM 2 N DNG A 1 37.569 8.933 6.552 1.00 1.00 N HETATM 3 O DNG A 1 37.376 10.375 3.426 1.00 1.00 O HETATM 4 C1 DNG A 1 37.172 7.909 7.298 1.00 1.00 C HETATM 5 O1 DNG A 1 37.265 6.735 6.947 1.00 1.00 O HETATM 6 CA DNG A 1 38.029 8.840 5.177 1.00 1.00 C HETATM 7 CB DNG A 1 39.455 9.401 5.053 1.00 1.00 C HETATM 8 CD DNG A 1 40.647 7.225 5.658 1.00 1.00 C HETATM 9 CE DNG A 1 41.762 6.625 6.519 1.00 1.00 C HETATM 10 CG DNG A 1 40.473 8.715 5.976 1.00 1.00 C HETATM 0 HGA DNG A 1 41.436 9.217 5.885 1.00 1.00 H new HETATM 0 HG DNG A 1 40.152 8.827 7.012 1.00 1.00 H new HETATM 0 HEB DNG A 1 42.699 7.144 6.315 1.00 1.00 H new HETATM 0 HEA DNG A 1 41.508 6.736 7.573 1.00 1.00 H new HETATM 0 HE DNG A 1 41.875 5.567 6.283 1.00 1.00 H new HETATM 0 HDA DNG A 1 40.885 7.097 4.602 1.00 1.00 H new HETATM 0 HD DNG A 1 39.712 6.695 5.841 1.00 1.00 H new HETATM 0 HC1 DNG A 1 36.740 8.121 8.276 1.00 1.00 H new HETATM 0 HBA DNG A 1 39.788 9.298 4.020 1.00 1.00 H new HETATM 0 HB DNG A 1 39.437 10.468 5.277 1.00 1.00 H new HETATM 0 HA DNG A 1 38.084 7.805 4.840 1.00 1.00 H new HETATM 0 H DNG A 1 37.549 9.859 6.978 1.00 1.00 H new HETATM 23 N NLE A 2 35.730 9.368 4.581 1.00 1.00 N HETATM 24 CA NLE A 2 34.624 9.832 3.765 1.00 1.00 C HETATM 25 C NLE A 2 33.469 10.373 4.615 1.00 1.00 C HETATM 26 O NLE A 2 33.418 10.135 5.823 1.00 1.00 O HETATM 27 CB NLE A 2 34.186 8.704 2.822 1.00 1.00 C HETATM 28 CG NLE A 2 33.720 7.456 3.585 1.00 1.00 C HETATM 29 CD NLE A 2 33.184 6.375 2.638 1.00 1.00 C HETATM 30 CE NLE A 2 34.273 5.798 1.728 1.00 1.00 C HETATM 0 HG3 NLE A 2 34.551 7.053 4.164 1.00 1.00 H new HETATM 0 HG2 NLE A 2 32.942 7.734 4.296 1.00 1.00 H new HETATM 0 HE3 NLE A 2 34.699 6.596 1.119 1.00 1.00 H new HETATM 0 HE2 NLE A 2 35.057 5.350 2.338 1.00 1.00 H new HETATM 0 HE1 NLE A 2 33.839 5.038 1.079 1.00 1.00 H new HETATM 0 HD3 NLE A 2 32.741 5.570 3.225 1.00 1.00 H new HETATM 0 HD2 NLE A 2 32.388 6.797 2.024 1.00 1.00 H new HETATM 0 HB3 NLE A 2 33.377 9.060 2.184 1.00 1.00 H new HETATM 0 HB2 NLE A 2 35.016 8.438 2.167 1.00 1.00 H new HETATM 0 HA NLE A 2 34.957 10.676 3.161 1.00 1.00 H new HETATM 0 H NLE A 2 35.673 9.427 5.598 1.00 1.00 H new HETATM 42 N DNE A 3 32.531 11.079 3.974 1.00 1.00 N HETATM 43 CA DNE A 3 31.288 11.546 4.572 1.00 1.00 C HETATM 44 C DNE A 3 31.290 13.076 4.630 1.00 1.00 C HETATM 45 O DNE A 3 30.571 13.737 3.877 1.00 1.00 O HETATM 46 CB DNE A 3 30.114 11.028 3.724 1.00 1.00 C HETATM 47 CG DNE A 3 30.182 9.517 3.472 1.00 1.00 C HETATM 48 CD DNE A 3 29.029 9.090 2.560 1.00 1.00 C HETATM 49 CE DNE A 3 29.206 7.645 2.087 1.00 1.00 C HETATM 0 HG3 DNE A 3 31.136 9.258 3.012 1.00 1.00 H new HETATM 0 HG2 DNE A 3 30.128 8.979 4.418 1.00 1.00 H new HETATM 0 HE3 DNE A 3 30.140 7.556 1.532 1.00 1.00 H new HETATM 0 HE2 DNE A 3 29.232 6.980 2.950 1.00 1.00 H new HETATM 0 HE1 DNE A 3 28.373 7.369 1.441 1.00 1.00 H new HETATM 0 HD3 DNE A 3 28.084 9.188 3.094 1.00 1.00 H new HETATM 0 HD2 DNE A 3 28.978 9.755 1.697 1.00 1.00 H new HETATM 0 HB3 DNE A 3 29.176 11.266 4.227 1.00 1.00 H new HETATM 0 HB2 DNE A 3 30.104 11.551 2.768 1.00 1.00 H new HETATM 0 HA DNE A 3 31.187 11.169 5.590 1.00 1.00 H new HETATM 61 N NLE A 4 32.095 13.660 5.518 1.00 1.00 N HETATM 62 CA NLE A 4 32.149 15.113 5.629 1.00 1.00 C HETATM 63 C NLE A 4 33.466 15.643 6.187 1.00 1.00 C HETATM 64 O NLE A 4 34.023 15.099 7.131 1.00 1.00 O HETATM 65 CB NLE A 4 30.942 15.650 6.418 1.00 1.00 C HETATM 66 CG NLE A 4 30.800 15.001 7.803 1.00 1.00 C HETATM 67 CD NLE A 4 29.586 15.536 8.572 1.00 1.00 C HETATM 68 CE NLE A 4 29.740 17.009 8.964 1.00 1.00 C HETATM 0 HG3 NLE A 4 30.708 13.921 7.688 1.00 1.00 H new HETATM 0 HG2 NLE A 4 31.705 15.184 8.383 1.00 1.00 H new HETATM 0 HE3 NLE A 4 30.617 17.126 9.600 1.00 1.00 H new HETATM 0 HE2 NLE A 4 29.860 17.614 8.065 1.00 1.00 H new HETATM 0 HE1 NLE A 4 28.853 17.336 9.506 1.00 1.00 H new HETATM 0 HD3 NLE A 4 28.692 15.418 7.960 1.00 1.00 H new HETATM 0 HD2 NLE A 4 29.438 14.938 9.471 1.00 1.00 H new HETATM 0 HB3 NLE A 4 31.042 16.729 6.536 1.00 1.00 H new HETATM 0 HB2 NLE A 4 30.032 15.475 5.845 1.00 1.00 H new HETATM 0 HA NLE A 4 32.096 15.494 4.609 1.00 1.00 H new HETATM 0 H NLE A 4 32.896 13.097 5.803 1.00 1.00 H new HETATM 80 N DNE A 5 33.980 16.720 5.597 1.00 1.00 N HETATM 81 CA DNE A 5 35.269 17.285 5.955 1.00 1.00 C HETATM 82 C DNE A 5 35.729 18.143 4.776 1.00 1.00 C HETATM 83 O DNE A 5 35.889 19.356 4.887 1.00 1.00 O HETATM 84 CB DNE A 5 35.116 18.035 7.284 1.00 1.00 C HETATM 85 CG DNE A 5 36.386 18.708 7.829 1.00 1.00 C HETATM 86 CD DNE A 5 37.538 17.710 7.995 1.00 1.00 C HETATM 87 CE DNE A 5 38.714 18.364 8.723 1.00 1.00 C HETATM 0 HG3 DNE A 5 36.692 19.506 7.153 1.00 1.00 H new HETATM 0 HG2 DNE A 5 36.167 19.172 8.791 1.00 1.00 H new HETATM 0 HE3 DNE A 5 39.068 19.220 8.148 1.00 1.00 H new HETATM 0 HE2 DNE A 5 38.391 18.698 9.709 1.00 1.00 H new HETATM 0 HE1 DNE A 5 39.522 17.641 8.832 1.00 1.00 H new HETATM 0 HD3 DNE A 5 37.195 16.840 8.555 1.00 1.00 H new HETATM 0 HD2 DNE A 5 37.861 17.353 7.017 1.00 1.00 H new HETATM 0 HB3 DNE A 5 34.348 18.799 7.161 1.00 1.00 H new HETATM 0 HB2 DNE A 5 34.750 17.334 8.034 1.00 1.00 H new HETATM 0 HA DNE A 5 36.044 16.538 6.126 1.00 1.00 H new HETATM 0 H DNE A 5 33.563 16.934 4.691 1.00 1.00 H new HETATM 99 N NLE A 6 35.911 17.510 3.617 1.00 1.00 N HETATM 100 CA NLE A 6 36.304 18.179 2.382 1.00 1.00 C HETATM 101 C NLE A 6 35.756 17.390 1.185 1.00 1.00 C HETATM 102 O NLE A 6 35.582 16.186 1.328 1.00 1.00 O HETATM 103 CB NLE A 6 37.837 18.311 2.341 1.00 1.00 C HETATM 104 CG NLE A 6 38.556 16.973 2.577 1.00 1.00 C HETATM 105 CD NLE A 6 40.075 17.094 2.408 1.00 1.00 C HETATM 106 CE NLE A 6 40.717 17.951 3.504 1.00 1.00 C HETATM 0 HG3 NLE A 6 38.331 16.614 3.581 1.00 1.00 H new HETATM 0 HG2 NLE A 6 38.173 16.228 1.879 1.00 1.00 H new HETATM 0 HE3 NLE A 6 40.294 18.955 3.475 1.00 1.00 H new HETATM 0 HE2 NLE A 6 40.521 17.503 4.478 1.00 1.00 H new HETATM 0 HE1 NLE A 6 41.793 18.006 3.339 1.00 1.00 H new HETATM 0 HD3 NLE A 6 40.520 16.099 2.421 1.00 1.00 H new HETATM 0 HD2 NLE A 6 40.296 17.529 1.434 1.00 1.00 H new HETATM 0 HB3 NLE A 6 38.137 18.714 1.374 1.00 1.00 H new HETATM 0 HB2 NLE A 6 38.156 19.028 3.097 1.00 1.00 H new HETATM 0 HA NLE A 6 35.885 19.184 2.336 1.00 1.00 H new HETATM 0 H NLE A 6 35.357 16.654 3.580 1.00 1.00 H new HETATM 118 C DNM A 7 33.964 18.030 -1.952 1.00 1.00 C HETATM 119 N DNM A 7 35.481 18.003 0.018 1.00 1.00 N HETATM 120 O DNM A 7 34.222 18.321 -3.117 1.00 1.00 O HETATM 121 C1 DNM A 7 35.646 19.442 -0.194 1.00 1.00 C HETATM 122 CA DNM A 7 34.948 17.212 -1.106 1.00 1.00 C HETATM 123 CB DNM A 7 36.121 16.637 -1.920 1.00 1.00 C HETATM 124 CD DNM A 7 36.855 14.806 -3.531 1.00 1.00 C HETATM 125 CE DNM A 7 37.743 15.721 -4.379 1.00 1.00 C HETATM 126 CG DNM A 7 35.668 15.555 -2.913 1.00 1.00 C HETATM 0 HGA DNM A 7 35.018 14.845 -2.403 1.00 1.00 H new HETATM 0 HG DNM A 7 35.078 16.015 -3.706 1.00 1.00 H new HETATM 0 HEB DNM A 7 37.155 16.148 -5.191 1.00 1.00 H new HETATM 0 HEA DNM A 7 38.138 16.523 -3.756 1.00 1.00 H new HETATM 0 HE DNM A 7 38.569 15.144 -4.794 1.00 1.00 H new HETATM 0 HDA DNM A 7 36.484 13.989 -4.150 1.00 1.00 H new HETATM 0 HD DNM A 7 37.452 14.358 -2.737 1.00 1.00 H new HETATM 0 HBA DNM A 7 36.612 17.444 -2.464 1.00 1.00 H new HETATM 0 HB DNM A 7 36.860 16.215 -1.239 1.00 1.00 H new HETATM 0 HA DNM A 7 34.367 16.373 -0.723 1.00 1.00 H new HETATM 0 H1B DNM A 7 36.336 19.611 -1.021 1.00 1.00 H new HETATM 0 H1A DNM A 7 34.680 19.888 -0.430 1.00 1.00 H new HETATM 0 H1 DNM A 7 36.045 19.900 0.711 1.00 1.00 H new HETATM 140 N NLE A 8 32.850 18.432 -1.341 1.00 1.00 N HETATM 141 CA NLE A 8 31.881 19.351 -1.922 1.00 1.00 C HETATM 142 C NLE A 8 31.651 20.508 -0.949 1.00 1.00 C HETATM 143 O NLE A 8 32.074 20.448 0.205 1.00 1.00 O HETATM 144 CB NLE A 8 30.579 18.624 -2.283 1.00 1.00 C HETATM 145 CG NLE A 8 30.831 17.527 -3.326 1.00 1.00 C HETATM 146 CD NLE A 8 29.506 17.004 -3.889 1.00 1.00 C HETATM 147 CE NLE A 8 29.761 15.856 -4.869 1.00 1.00 C HETATM 0 HG3 NLE A 8 31.446 17.921 -4.135 1.00 1.00 H new HETATM 0 HG2 NLE A 8 31.388 16.707 -2.872 1.00 1.00 H new HETATM 0 HE3 NLE A 8 30.381 16.211 -5.692 1.00 1.00 H new HETATM 0 HE2 NLE A 8 30.273 15.044 -4.353 1.00 1.00 H new HETATM 0 HE1 NLE A 8 28.810 15.494 -5.261 1.00 1.00 H new HETATM 0 HD3 NLE A 8 28.867 16.661 -3.075 1.00 1.00 H new HETATM 0 HD2 NLE A 8 28.974 17.810 -4.394 1.00 1.00 H new HETATM 0 HB3 NLE A 8 30.143 18.184 -1.386 1.00 1.00 H new HETATM 0 HB2 NLE A 8 29.854 19.340 -2.671 1.00 1.00 H new HETATM 0 HA NLE A 8 32.270 19.757 -2.855 1.00 1.00 H new HETATM 159 N DNE A 9 30.998 21.563 -1.437 1.00 1.00 N HETATM 160 CA DNE A 9 30.818 22.825 -0.733 1.00 1.00 C HETATM 161 C DNE A 9 32.006 23.705 -1.114 1.00 1.00 C HETATM 162 O DNE A 9 31.950 24.443 -2.095 1.00 1.00 O HETATM 163 CB DNE A 9 29.484 23.468 -1.140 1.00 1.00 C HETATM 164 CG DNE A 9 28.297 22.614 -0.682 1.00 1.00 C HETATM 165 CD DNE A 9 26.973 23.279 -1.069 1.00 1.00 C HETATM 166 CE DNE A 9 25.793 22.422 -0.605 1.00 1.00 C HETATM 0 HG3 DNE A 9 28.359 21.624 -1.134 1.00 1.00 H new HETATM 0 HG2 DNE A 9 28.338 22.474 0.398 1.00 1.00 H new HETATM 0 HE3 DNE A 9 25.849 21.440 -1.076 1.00 1.00 H new HETATM 0 HE2 DNE A 9 25.830 22.308 0.478 1.00 1.00 H new HETATM 0 HE1 DNE A 9 24.858 22.907 -0.887 1.00 1.00 H new HETATM 0 HD3 DNE A 9 26.911 24.270 -0.619 1.00 1.00 H new HETATM 0 HD2 DNE A 9 26.929 23.416 -2.149 1.00 1.00 H new HETATM 0 HB3 DNE A 9 29.409 24.464 -0.704 1.00 1.00 H new HETATM 0 HB2 DNE A 9 29.451 23.591 -2.223 1.00 1.00 H new HETATM 0 HA DNE A 9 30.782 22.686 0.347 1.00 1.00 H new HETATM 178 N NLO A 10 33.099 23.595 -0.363 1.00 1.00 N HETATM 179 CA NLO A 10 34.367 24.219 -0.709 1.00 1.00 C HETATM 180 C NLO A 10 34.863 23.655 -2.043 1.00 1.00 C HETATM 181 O NLO A 10 35.479 24.391 -2.813 1.00 1.00 O HETATM 182 CB NLO A 10 35.373 23.945 0.417 1.00 1.00 C HETATM 183 CG NLO A 10 36.727 24.628 0.195 1.00 1.00 C HETATM 184 CD NLO A 10 37.722 24.326 1.324 1.00 1.00 C HETATM 185 CE NLO A 10 37.280 24.896 2.676 1.00 1.00 C HETATM 186 OH NLO A 10 34.582 22.331 -2.267 1.00 1.00 O HETATM 187 C1 NLO A 10 35.500 21.722 -3.155 1.00 1.00 C HETATM 0 HG3 NLO A 10 37.147 24.297 -0.755 1.00 1.00 H new HETATM 0 HG2 NLO A 10 36.580 25.706 0.121 1.00 1.00 H new HETATM 0 HE3 NLO A 10 37.183 25.979 2.600 1.00 1.00 H new HETATM 0 HE2 NLO A 10 36.319 24.464 2.956 1.00 1.00 H new HETATM 0 HE1 NLO A 10 38.023 24.651 3.435 1.00 1.00 H new HETATM 0 HD3 NLO A 10 37.846 23.247 1.413 1.00 1.00 H new HETATM 0 HD2 NLO A 10 38.697 24.738 1.063 1.00 1.00 H new HETATM 0 HB3 NLO A 10 34.952 24.286 1.363 1.00 1.00 H new HETATM 0 HB2 NLO A 10 35.526 22.869 0.505 1.00 1.00 H new HETATM 0 HA NLO A 10 34.248 25.297 -0.820 1.00 1.00 H new HETATM 0 H13 NLO A 10 35.473 22.236 -4.116 1.00 1.00 H new HETATM 0 H12 NLO A 10 36.505 21.784 -2.738 1.00 1.00 H new HETATM 0 H11 NLO A 10 35.230 20.675 -3.296 1.00 1.00 H new TER 202 NLO A 10 HETATM 203 C DNG B 1 32.102 19.684 4.619 1.00 1.00 C HETATM 204 N DNG B 1 33.949 21.032 3.768 1.00 1.00 N HETATM 205 O DNG B 1 31.783 19.149 5.678 1.00 1.00 O HETATM 206 C1 DNG B 1 34.055 21.655 2.597 1.00 1.00 C HETATM 207 O1 DNG B 1 33.163 22.354 2.125 1.00 1.00 O HETATM 208 CA DNG B 1 32.758 21.067 4.604 1.00 1.00 C HETATM 209 CB DNG B 1 33.134 21.561 6.009 1.00 1.00 C HETATM 210 CD DNG B 1 34.010 23.476 7.386 1.00 1.00 C HETATM 211 CE DNG B 1 34.598 24.889 7.347 1.00 1.00 C HETATM 212 CG DNG B 1 33.714 22.980 5.967 1.00 1.00 C HETATM 0 HGA DNG B 1 34.628 22.989 5.373 1.00 1.00 H new HETATM 0 HG DNG B 1 33.010 23.654 5.479 1.00 1.00 H new HETATM 0 HEB DNG B 1 35.525 24.882 6.774 1.00 1.00 H new HETATM 0 HEA DNG B 1 33.886 25.567 6.876 1.00 1.00 H new HETATM 0 HE DNG B 1 34.802 25.226 8.363 1.00 1.00 H new HETATM 0 HDA DNG B 1 34.709 22.798 7.876 1.00 1.00 H new HETATM 0 HD DNG B 1 33.094 23.473 7.977 1.00 1.00 H new HETATM 0 HC1 DNG B 1 34.978 21.539 2.029 1.00 1.00 H new HETATM 0 HBA DNG B 1 32.252 21.546 6.650 1.00 1.00 H new HETATM 0 HB DNG B 1 33.862 20.882 6.452 1.00 1.00 H new HETATM 0 HA DNG B 1 32.026 21.766 4.200 1.00 1.00 H new HETATM 0 H DNG B 1 34.752 20.497 4.100 1.00 1.00 H new HETATM 225 N NLE B 2 31.894 19.102 3.435 1.00 1.00 N HETATM 226 CA NLE B 2 31.135 17.872 3.248 1.00 1.00 C HETATM 227 C NLE B 2 31.714 17.026 2.107 1.00 1.00 C HETATM 228 O NLE B 2 32.526 17.517 1.324 1.00 1.00 O HETATM 229 CB NLE B 2 29.655 18.210 3.015 1.00 1.00 C HETATM 230 CG NLE B 2 29.430 19.094 1.780 1.00 1.00 C HETATM 231 CD NLE B 2 27.962 19.515 1.638 1.00 1.00 C HETATM 232 CE NLE B 2 27.022 18.337 1.364 1.00 1.00 C HETATM 0 HG3 NLE B 2 30.057 19.983 1.850 1.00 1.00 H new HETATM 0 HG2 NLE B 2 29.741 18.554 0.886 1.00 1.00 H new HETATM 0 HE3 NLE B 2 27.315 17.846 0.436 1.00 1.00 H new HETATM 0 HE2 NLE B 2 27.082 17.624 2.187 1.00 1.00 H new HETATM 0 HE1 NLE B 2 25.999 18.701 1.274 1.00 1.00 H new HETATM 0 HD3 NLE B 2 27.645 20.020 2.551 1.00 1.00 H new HETATM 0 HD2 NLE B 2 27.875 20.238 0.827 1.00 1.00 H new HETATM 0 HB3 NLE B 2 29.090 17.285 2.901 1.00 1.00 H new HETATM 0 HB2 NLE B 2 29.261 18.718 3.895 1.00 1.00 H new HETATM 0 HA NLE B 2 31.212 17.268 4.152 1.00 1.00 H new HETATM 0 H NLE B 2 32.698 19.301 2.839 1.00 1.00 H new HETATM 244 N DNE B 3 31.281 15.766 2.001 1.00 1.00 N HETATM 245 CA DNE B 3 31.576 14.884 0.878 1.00 1.00 C HETATM 246 C DNE B 3 32.534 13.785 1.333 1.00 1.00 C HETATM 247 O DNE B 3 32.136 12.640 1.550 1.00 1.00 O HETATM 248 CB DNE B 3 30.266 14.292 0.343 1.00 1.00 C HETATM 249 CG DNE B 3 29.342 15.382 -0.210 1.00 1.00 C HETATM 250 CD DNE B 3 27.962 14.834 -0.593 1.00 1.00 C HETATM 251 CE DNE B 3 28.033 13.754 -1.678 1.00 1.00 C HETATM 0 HG3 DNE B 3 29.224 16.168 0.535 1.00 1.00 H new HETATM 0 HG2 DNE B 3 29.805 15.839 -1.085 1.00 1.00 H new HETATM 0 HE3 DNE B 3 28.487 14.171 -2.577 1.00 1.00 H new HETATM 0 HE2 DNE B 3 28.636 12.919 -1.321 1.00 1.00 H new HETATM 0 HE1 DNE B 3 27.027 13.403 -1.909 1.00 1.00 H new HETATM 0 HD3 DNE B 3 27.481 14.421 0.294 1.00 1.00 H new HETATM 0 HD2 DNE B 3 27.335 15.654 -0.943 1.00 1.00 H new HETATM 0 HB3 DNE B 3 30.486 13.568 -0.441 1.00 1.00 H new HETATM 0 HB2 DNE B 3 29.757 13.752 1.141 1.00 1.00 H new HETATM 0 HA DNE B 3 32.055 15.443 0.075 1.00 1.00 H new HETATM 263 N NLE B 4 33.808 14.137 1.490 1.00 1.00 N HETATM 264 CA NLE B 4 34.831 13.229 1.982 1.00 1.00 C HETATM 265 C NLE B 4 35.376 13.771 3.304 1.00 1.00 C HETATM 266 O NLE B 4 34.974 14.845 3.741 1.00 1.00 O HETATM 267 CB NLE B 4 35.933 13.007 0.933 1.00 1.00 C HETATM 268 CG NLE B 4 35.405 12.421 -0.385 1.00 1.00 C HETATM 269 CD NLE B 4 34.870 10.993 -0.219 1.00 1.00 C HETATM 270 CE NLE B 4 34.511 10.398 -1.582 1.00 1.00 C HETATM 0 HG3 NLE B 4 34.611 13.060 -0.771 1.00 1.00 H new HETATM 0 HG2 NLE B 4 36.205 12.422 -1.126 1.00 1.00 H new HETATM 0 HE3 NLE B 4 33.745 11.011 -2.056 1.00 1.00 H new HETATM 0 HE2 NLE B 4 35.399 10.374 -2.214 1.00 1.00 H new HETATM 0 HE1 NLE B 4 34.133 9.384 -1.448 1.00 1.00 H new HETATM 0 HD3 NLE B 4 35.620 10.371 0.271 1.00 1.00 H new HETATM 0 HD2 NLE B 4 33.991 10.999 0.425 1.00 1.00 H new HETATM 0 HB3 NLE B 4 36.428 13.957 0.729 1.00 1.00 H new HETATM 0 HB2 NLE B 4 36.688 12.337 1.345 1.00 1.00 H new HETATM 0 HA NLE B 4 34.396 12.247 2.166 1.00 1.00 H new HETATM 282 N DNE B 5 36.296 13.049 3.945 1.00 1.00 N HETATM 283 CA DNE B 5 36.986 13.525 5.135 1.00 1.00 C HETATM 284 C DNE B 5 36.711 12.611 6.328 1.00 1.00 C HETATM 285 O DNE B 5 37.413 11.623 6.513 1.00 1.00 O HETATM 286 CB DNE B 5 38.474 13.584 4.791 1.00 1.00 C HETATM 287 CG DNE B 5 39.326 14.155 5.933 1.00 1.00 C HETATM 288 CD DNE B 5 40.796 14.231 5.511 1.00 1.00 C HETATM 289 CE DNE B 5 41.643 14.822 6.641 1.00 1.00 C HETATM 0 HG3 DNE B 5 38.966 15.148 6.203 1.00 1.00 H new HETATM 0 HG2 DNE B 5 39.227 13.528 6.819 1.00 1.00 H new HETATM 0 HE3 DNE B 5 41.288 15.826 6.875 1.00 1.00 H new HETATM 0 HE2 DNE B 5 41.559 14.192 7.526 1.00 1.00 H new HETATM 0 HE1 DNE B 5 42.686 14.870 6.327 1.00 1.00 H new HETATM 0 HD3 DNE B 5 41.160 13.236 5.257 1.00 1.00 H new HETATM 0 HD2 DNE B 5 40.893 14.845 4.615 1.00 1.00 H new HETATM 0 HB3 DNE B 5 38.826 12.582 4.547 1.00 1.00 H new HETATM 0 HB2 DNE B 5 38.612 14.196 3.900 1.00 1.00 H new HETATM 0 HA DNE B 5 36.630 14.513 5.427 1.00 1.00 H new HETATM 301 N NLE B 6 35.717 12.931 7.155 1.00 1.00 N HETATM 302 CA NLE B 6 35.377 12.166 8.353 1.00 1.00 C HETATM 303 C NLE B 6 33.871 11.867 8.386 1.00 1.00 C HETATM 304 O NLE B 6 33.108 12.628 7.807 1.00 1.00 O HETATM 305 CB NLE B 6 35.782 12.988 9.587 1.00 1.00 C HETATM 306 CG NLE B 6 37.281 13.315 9.592 1.00 1.00 C HETATM 307 CD NLE B 6 37.663 14.048 10.882 1.00 1.00 C HETATM 308 CE NLE B 6 39.150 14.409 10.866 1.00 1.00 C HETATM 0 HG3 NLE B 6 37.861 12.396 9.503 1.00 1.00 H new HETATM 0 HG2 NLE B 6 37.528 13.933 8.728 1.00 1.00 H new HETATM 0 HE3 NLE B 6 39.744 13.499 10.784 1.00 1.00 H new HETATM 0 HE2 NLE B 6 39.358 15.056 10.014 1.00 1.00 H new HETATM 0 HE1 NLE B 6 39.408 14.929 11.788 1.00 1.00 H new HETATM 0 HD3 NLE B 6 37.063 14.952 10.986 1.00 1.00 H new HETATM 0 HD2 NLE B 6 37.444 13.419 11.745 1.00 1.00 H new HETATM 0 HB3 NLE B 6 35.209 13.915 9.610 1.00 1.00 H new HETATM 0 HB2 NLE B 6 35.529 12.434 10.491 1.00 1.00 H new HETATM 0 HA NLE B 6 35.910 11.215 8.348 1.00 1.00 H new HETATM 320 C DNM B 7 31.566 9.138 8.926 1.00 1.00 C HETATM 321 N DNM B 7 33.404 10.799 9.056 1.00 1.00 N HETATM 322 O DNM B 7 30.843 8.533 9.715 1.00 1.00 O HETATM 323 C1 DNM B 7 34.286 9.763 9.586 1.00 1.00 C HETATM 324 CA DNM B 7 31.951 10.594 9.193 1.00 1.00 C HETATM 325 CB DNM B 7 31.484 11.060 10.584 1.00 1.00 C HETATM 326 CD DNM B 7 31.176 13.006 12.155 1.00 1.00 C HETATM 327 CE DNM B 7 31.512 14.477 12.412 1.00 1.00 C HETATM 328 CG DNM B 7 31.806 12.538 10.840 1.00 1.00 C HETATM 0 HGA DNM B 7 32.886 12.679 10.877 1.00 1.00 H new HETATM 0 HG DNM B 7 31.433 13.145 10.015 1.00 1.00 H new HETATM 0 HEB DNM B 7 32.594 14.598 12.473 1.00 1.00 H new HETATM 0 HEA DNM B 7 31.125 15.087 11.596 1.00 1.00 H new HETATM 0 HE DNM B 7 31.057 14.796 13.350 1.00 1.00 H new HETATM 0 HDA DNM B 7 31.541 12.393 12.979 1.00 1.00 H new HETATM 0 HD DNM B 7 30.095 12.875 12.115 1.00 1.00 H new HETATM 0 HBA DNM B 7 30.409 10.903 10.676 1.00 1.00 H new HETATM 0 HB DNM B 7 31.962 10.448 11.349 1.00 1.00 H new HETATM 0 HA DNM B 7 31.442 11.197 8.441 1.00 1.00 H new HETATM 0 H1B DNM B 7 34.112 9.649 10.656 1.00 1.00 H new HETATM 0 H1A DNM B 7 34.081 8.818 9.083 1.00 1.00 H new HETATM 0 H1 DNM B 7 35.324 10.047 9.415 1.00 1.00 H new HETATM 342 N NLE B 8 32.077 8.563 7.835 1.00 1.00 N HETATM 343 CA NLE B 8 31.960 7.139 7.556 1.00 1.00 C HETATM 344 C NLE B 8 33.330 6.578 7.170 1.00 1.00 C HETATM 345 O NLE B 8 34.255 7.325 6.848 1.00 1.00 O HETATM 346 CB NLE B 8 30.873 6.858 6.510 1.00 1.00 C HETATM 347 CG NLE B 8 29.500 7.335 7.007 1.00 1.00 C HETATM 348 CD NLE B 8 28.377 6.863 6.079 1.00 1.00 C HETATM 349 CE NLE B 8 27.019 7.335 6.604 1.00 1.00 C HETATM 0 HG3 NLE B 8 29.325 6.958 8.015 1.00 1.00 H new HETATM 0 HG2 NLE B 8 29.491 8.423 7.068 1.00 1.00 H new HETATM 0 HE3 NLE B 8 26.852 6.926 7.600 1.00 1.00 H new HETATM 0 HE2 NLE B 8 27.006 8.424 6.652 1.00 1.00 H new HETATM 0 HE1 NLE B 8 26.231 6.992 5.934 1.00 1.00 H new HETATM 0 HD3 NLE B 8 28.540 7.251 5.073 1.00 1.00 H new HETATM 0 HD2 NLE B 8 28.389 5.775 6.007 1.00 1.00 H new HETATM 0 HB3 NLE B 8 31.122 7.362 5.576 1.00 1.00 H new HETATM 0 HB2 NLE B 8 30.836 5.790 6.296 1.00 1.00 H new HETATM 0 HA NLE B 8 31.635 6.619 8.457 1.00 1.00 H new HETATM 0 H NLE B 8 32.983 9.025 7.756 1.00 1.00 H new HETATM 361 N DNE B 9 33.439 5.252 7.243 1.00 1.00 N HETATM 362 CA DNE B 9 34.671 4.491 7.101 1.00 1.00 C HETATM 363 C DNE B 9 35.197 4.291 8.522 1.00 1.00 C HETATM 364 O DNE B 9 34.677 3.455 9.258 1.00 1.00 O HETATM 365 CB DNE B 9 34.382 3.148 6.417 1.00 1.00 C HETATM 366 CG DNE B 9 33.855 3.346 4.991 1.00 1.00 C HETATM 367 CD DNE B 9 33.627 1.989 4.318 1.00 1.00 C HETATM 368 CE DNE B 9 33.122 2.177 2.887 1.00 1.00 C HETATM 0 HG3 DNE B 9 32.922 3.909 5.015 1.00 1.00 H new HETATM 0 HG2 DNE B 9 34.567 3.933 4.411 1.00 1.00 H new HETATM 0 HE3 DNE B 9 32.181 2.726 2.903 1.00 1.00 H new HETATM 0 HE2 DNE B 9 33.859 2.737 2.312 1.00 1.00 H new HETATM 0 HE1 DNE B 9 32.966 1.202 2.425 1.00 1.00 H new HETATM 0 HD3 DNE B 9 34.557 1.420 4.310 1.00 1.00 H new HETATM 0 HD2 DNE B 9 32.904 1.409 4.892 1.00 1.00 H new HETATM 0 HB3 DNE B 9 35.292 2.549 6.390 1.00 1.00 H new HETATM 0 HB2 DNE B 9 33.651 2.590 7.002 1.00 1.00 H new HETATM 0 HA DNE B 9 35.406 5.005 6.482 1.00 1.00 H new HETATM 380 N NLO B 10 36.184 5.089 8.926 1.00 1.00 N HETATM 381 CA NLO B 10 36.614 5.204 10.315 1.00 1.00 C HETATM 382 C NLO B 10 35.390 5.460 11.198 1.00 1.00 C HETATM 383 O NLO B 10 35.259 4.838 12.251 1.00 1.00 O HETATM 384 CB NLO B 10 37.622 6.357 10.426 1.00 1.00 C HETATM 385 CG NLO B 10 38.086 6.611 11.863 1.00 1.00 C HETATM 386 CD NLO B 10 39.147 7.717 11.947 1.00 1.00 C HETATM 387 CE NLO B 10 40.475 7.320 11.295 1.00 1.00 C HETATM 388 OH NLO B 10 34.520 6.402 10.713 1.00 1.00 O HETATM 389 C1 NLO B 10 33.267 6.376 11.365 1.00 1.00 C HETATM 0 HG3 NLO B 10 37.228 6.887 12.476 1.00 1.00 H new HETATM 0 HG2 NLO B 10 38.492 5.689 12.279 1.00 1.00 H new HETATM 0 HE3 NLO B 10 40.876 6.437 11.794 1.00 1.00 H new HETATM 0 HE2 NLO B 10 40.311 7.098 10.241 1.00 1.00 H new HETATM 0 HE1 NLO B 10 41.185 8.142 11.386 1.00 1.00 H new HETATM 0 HD3 NLO B 10 38.766 8.617 11.464 1.00 1.00 H new HETATM 0 HD2 NLO B 10 39.322 7.967 12.993 1.00 1.00 H new HETATM 0 HB3 NLO B 10 38.489 6.135 9.804 1.00 1.00 H new HETATM 0 HB2 NLO B 10 37.170 7.266 10.030 1.00 1.00 H new HETATM 0 HA NLO B 10 37.094 4.284 10.647 1.00 1.00 H new HETATM 0 H13 NLO B 10 32.807 5.397 11.230 1.00 1.00 H new HETATM 0 H12 NLO B 10 33.406 6.568 12.429 1.00 1.00 H new HETATM 0 H11 NLO B 10 32.620 7.143 10.940 1.00 1.00 H new TER 404 NLO B 10