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 35.524 8.873 3.910 1.00 1.00 C HETATM 2 N DNG A 1 36.759 7.856 5.811 1.00 1.00 N HETATM 3 O DNG A 1 35.879 9.447 2.880 1.00 1.00 O HETATM 4 C1 DNG A 1 35.967 7.840 6.883 1.00 1.00 C HETATM 5 O1 DNG A 1 34.752 7.673 6.799 1.00 1.00 O HETATM 6 CA DNG A 1 36.294 7.653 4.446 1.00 1.00 C HETATM 7 CB DNG A 1 37.488 7.293 3.548 1.00 1.00 C HETATM 8 CD DNG A 1 39.318 5.637 3.058 1.00 1.00 C HETATM 9 CE DNG A 1 40.016 4.359 3.528 1.00 1.00 C HETATM 10 CG DNG A 1 38.186 6.011 4.019 1.00 1.00 C HETATM 0 HGA DNG A 1 38.585 6.154 5.023 1.00 1.00 H new HETATM 0 HG DNG A 1 37.464 5.196 4.076 1.00 1.00 H new HETATM 0 HEB DNG A 1 40.433 4.517 4.523 1.00 1.00 H new HETATM 0 HEA DNG A 1 39.295 3.542 3.562 1.00 1.00 H new HETATM 0 HE DNG A 1 40.818 4.106 2.834 1.00 1.00 H new HETATM 0 HDA DNG A 1 40.039 6.453 3.000 1.00 1.00 H new HETATM 0 HD DNG A 1 38.919 5.493 2.054 1.00 1.00 H new HETATM 0 HC1 DNG A 1 36.412 7.980 7.868 1.00 1.00 H new HETATM 0 HBA DNG A 1 37.145 7.165 2.521 1.00 1.00 H new HETATM 0 HB DNG A 1 38.202 8.116 3.545 1.00 1.00 H new HETATM 0 HA DNG A 1 35.586 6.824 4.440 1.00 1.00 H new HETATM 0 H DNG A 1 37.755 8.021 5.956 1.00 1.00 H new HETATM 23 N NLE A 2 34.443 9.260 4.584 1.00 1.00 N HETATM 24 CA NLE A 2 33.430 10.170 4.076 1.00 1.00 C HETATM 25 C NLE A 2 32.575 10.781 5.183 1.00 1.00 C HETATM 26 O NLE A 2 32.676 10.400 6.348 1.00 1.00 O HETATM 27 CB NLE A 2 32.589 9.460 2.999 1.00 1.00 C HETATM 28 CG NLE A 2 31.899 8.196 3.534 1.00 1.00 C HETATM 29 CD NLE A 2 31.194 7.404 2.425 1.00 1.00 C HETATM 30 CE NLE A 2 29.997 8.158 1.837 1.00 1.00 C HETATM 0 HG3 NLE A 2 32.638 7.559 4.019 1.00 1.00 H new HETATM 0 HG2 NLE A 2 31.172 8.477 4.296 1.00 1.00 H new HETATM 0 HE3 NLE A 2 29.269 8.355 2.624 1.00 1.00 H new HETATM 0 HE2 NLE A 2 30.335 9.103 1.411 1.00 1.00 H new HETATM 0 HE1 NLE A 2 29.534 7.554 1.057 1.00 1.00 H new HETATM 0 HD3 NLE A 2 31.907 7.184 1.630 1.00 1.00 H new HETATM 0 HD2 NLE A 2 30.857 6.447 2.824 1.00 1.00 H new HETATM 0 HB3 NLE A 2 31.835 10.149 2.618 1.00 1.00 H new HETATM 0 HB2 NLE A 2 33.230 9.193 2.159 1.00 1.00 H new HETATM 0 HA NLE A 2 33.935 11.018 3.613 1.00 1.00 H new HETATM 0 H NLE A 2 34.521 9.092 5.587 1.00 1.00 H new HETATM 42 N DNE A 3 31.733 11.738 4.789 1.00 1.00 N HETATM 43 CA DNE A 3 30.826 12.487 5.640 1.00 1.00 C HETATM 44 C DNE A 3 31.312 13.936 5.653 1.00 1.00 C HETATM 45 O DNE A 3 30.945 14.728 4.783 1.00 1.00 O HETATM 46 CB DNE A 3 29.409 12.384 5.064 1.00 1.00 C HETATM 47 CG DNE A 3 28.937 10.926 5.010 1.00 1.00 C HETATM 48 CD DNE A 3 27.538 10.782 4.403 1.00 1.00 C HETATM 49 CE DNE A 3 27.459 11.272 2.954 1.00 1.00 C HETATM 0 HG3 DNE A 3 29.645 10.340 4.424 1.00 1.00 H new HETATM 0 HG2 DNE A 3 28.936 10.511 6.018 1.00 1.00 H new HETATM 0 HE3 DNE A 3 27.730 12.327 2.911 1.00 1.00 H new HETATM 0 HE2 DNE A 3 28.148 10.695 2.337 1.00 1.00 H new HETATM 0 HE1 DNE A 3 26.443 11.143 2.581 1.00 1.00 H new HETATM 0 HD3 DNE A 3 27.237 9.735 4.443 1.00 1.00 H new HETATM 0 HD2 DNE A 3 26.826 11.342 5.009 1.00 1.00 H new HETATM 0 HB3 DNE A 3 28.722 12.969 5.675 1.00 1.00 H new HETATM 0 HB2 DNE A 3 29.389 12.813 4.062 1.00 1.00 H new HETATM 0 HA DNE A 3 30.806 12.097 6.658 1.00 1.00 H new HETATM 61 N NLE A 4 32.159 14.279 6.621 1.00 1.00 N HETATM 62 CA NLE A 4 32.781 15.591 6.703 1.00 1.00 C HETATM 63 C NLE A 4 34.163 15.488 6.048 1.00 1.00 C HETATM 64 O NLE A 4 34.687 14.392 5.886 1.00 1.00 O HETATM 65 CB NLE A 4 32.872 16.067 8.159 1.00 1.00 C HETATM 66 CG NLE A 4 31.474 16.179 8.783 1.00 1.00 C HETATM 67 CD NLE A 4 31.497 16.906 10.133 1.00 1.00 C HETATM 68 CE NLE A 4 32.218 16.099 11.216 1.00 1.00 C HETATM 0 HG3 NLE A 4 30.814 16.711 8.098 1.00 1.00 H new HETATM 0 HG2 NLE A 4 31.057 15.181 8.917 1.00 1.00 H new HETATM 0 HE3 NLE A 4 31.711 15.144 11.356 1.00 1.00 H new HETATM 0 HE2 NLE A 4 33.249 15.921 10.911 1.00 1.00 H new HETATM 0 HE1 NLE A 4 32.207 16.656 12.153 1.00 1.00 H new HETATM 0 HD3 NLE A 4 31.989 17.872 10.015 1.00 1.00 H new HETATM 0 HD2 NLE A 4 30.474 17.106 10.453 1.00 1.00 H new HETATM 0 HB3 NLE A 4 33.479 15.370 8.737 1.00 1.00 H new HETATM 0 HB2 NLE A 4 33.372 17.035 8.200 1.00 1.00 H new HETATM 0 HA NLE A 4 32.180 16.334 6.179 1.00 1.00 H new HETATM 80 N DNE A 5 34.772 16.616 5.690 1.00 1.00 N HETATM 81 CA DNE A 5 36.150 16.681 5.221 1.00 1.00 C HETATM 82 C DNE A 5 36.264 17.508 3.940 1.00 1.00 C HETATM 83 O DNE A 5 36.288 18.731 4.022 1.00 1.00 O HETATM 84 CB DNE A 5 36.930 17.309 6.373 1.00 1.00 C HETATM 85 CG DNE A 5 38.400 17.622 6.064 1.00 1.00 C HETATM 86 CD DNE A 5 39.124 18.071 7.337 1.00 1.00 C HETATM 87 CE DNE A 5 40.572 18.451 7.022 1.00 1.00 C HETATM 0 HG3 DNE A 5 38.888 16.739 5.651 1.00 1.00 H new HETATM 0 HG2 DNE A 5 38.462 18.404 5.307 1.00 1.00 H new HETATM 0 HE3 DNE A 5 41.092 17.589 6.604 1.00 1.00 H new HETATM 0 HE2 DNE A 5 40.585 19.268 6.300 1.00 1.00 H new HETATM 0 HE1 DNE A 5 41.072 18.768 7.937 1.00 1.00 H new HETATM 0 HD3 DNE A 5 38.605 18.923 7.777 1.00 1.00 H new HETATM 0 HD2 DNE A 5 39.104 17.270 8.076 1.00 1.00 H new HETATM 0 HB3 DNE A 5 36.432 18.232 6.669 1.00 1.00 H new HETATM 0 HB2 DNE A 5 36.889 16.636 7.229 1.00 1.00 H new HETATM 0 HA DNE A 5 36.541 15.697 4.962 1.00 1.00 H new HETATM 0 H DNE A 5 34.034 17.091 5.171 1.00 1.00 H new HETATM 99 N NLE A 6 36.360 16.876 2.766 1.00 1.00 N HETATM 100 CA NLE A 6 36.503 17.579 1.490 1.00 1.00 C HETATM 101 C NLE A 6 35.733 16.848 0.384 1.00 1.00 C HETATM 102 O NLE A 6 35.591 15.634 0.489 1.00 1.00 O HETATM 103 CB NLE A 6 37.990 17.667 1.106 1.00 1.00 C HETATM 104 CG NLE A 6 38.828 18.436 2.133 1.00 1.00 C HETATM 105 CD NLE A 6 40.252 18.651 1.611 1.00 1.00 C HETATM 106 CE NLE A 6 41.096 19.379 2.660 1.00 1.00 C HETATM 0 HG3 NLE A 6 38.362 19.399 2.343 1.00 1.00 H new HETATM 0 HG2 NLE A 6 38.858 17.884 3.073 1.00 1.00 H new HETATM 0 HE3 NLE A 6 40.647 20.348 2.880 1.00 1.00 H new HETATM 0 HE2 NLE A 6 41.137 18.783 3.572 1.00 1.00 H new HETATM 0 HE1 NLE A 6 42.106 19.526 2.277 1.00 1.00 H new HETATM 0 HD3 NLE A 6 40.708 17.691 1.370 1.00 1.00 H new HETATM 0 HD2 NLE A 6 40.225 19.231 0.689 1.00 1.00 H new HETATM 0 HB3 NLE A 6 38.392 16.660 0.998 1.00 1.00 H new HETATM 0 HB2 NLE A 6 38.081 18.152 0.134 1.00 1.00 H new HETATM 0 HA NLE A 6 36.094 18.583 1.601 1.00 1.00 H new HETATM 0 H NLE A 6 35.804 16.022 2.818 1.00 1.00 H new HETATM 118 C DNM A 7 33.386 17.542 -2.308 1.00 1.00 C HETATM 119 N DNM A 7 35.253 17.521 -0.681 1.00 1.00 N HETATM 120 O DNM A 7 33.147 17.610 -3.513 1.00 1.00 O HETATM 121 C1 DNM A 7 35.325 18.981 -0.832 1.00 1.00 C HETATM 122 CA DNM A 7 34.601 16.776 -1.775 1.00 1.00 C HETATM 123 CB DNM A 7 35.647 16.475 -2.864 1.00 1.00 C HETATM 124 CD DNM A 7 36.183 15.104 -4.944 1.00 1.00 C HETATM 125 CE DNM A 7 37.627 14.809 -4.527 1.00 1.00 C HETATM 126 CG DNM A 7 35.243 15.284 -3.745 1.00 1.00 C HETATM 0 HGA DNM A 7 35.244 14.374 -3.145 1.00 1.00 H new HETATM 0 HG DNM A 7 34.224 15.429 -4.103 1.00 1.00 H new HETATM 0 HEB DNM A 7 38.008 15.635 -3.926 1.00 1.00 H new HETATM 0 HEA DNM A 7 37.656 13.891 -3.941 1.00 1.00 H new HETATM 0 HE DNM A 7 38.246 14.691 -5.417 1.00 1.00 H new HETATM 0 HDA DNM A 7 36.163 16.007 -5.554 1.00 1.00 H new HETATM 0 HD DNM A 7 35.816 14.289 -5.568 1.00 1.00 H new HETATM 0 HBA DNM A 7 35.782 17.358 -3.489 1.00 1.00 H new HETATM 0 HB DNM A 7 36.608 16.267 -2.394 1.00 1.00 H new HETATM 0 HA DNM A 7 34.216 15.825 -1.407 1.00 1.00 H new HETATM 0 H1B DNM A 7 35.886 19.226 -1.734 1.00 1.00 H new HETATM 0 H1A DNM A 7 34.317 19.389 -0.909 1.00 1.00 H new HETATM 0 H1 DNM A 7 35.825 19.412 0.035 1.00 1.00 H new HETATM 140 N NLE A 8 32.641 18.165 -1.396 1.00 1.00 N HETATM 141 CA NLE A 8 31.594 19.118 -1.708 1.00 1.00 C HETATM 142 C NLE A 8 32.196 20.401 -2.301 1.00 1.00 C HETATM 143 O NLE A 8 32.187 21.463 -1.685 1.00 1.00 O HETATM 144 CB NLE A 8 30.725 19.339 -0.459 1.00 1.00 C HETATM 145 CG NLE A 8 29.270 19.743 -0.753 1.00 1.00 C HETATM 146 CD NLE A 8 29.063 21.183 -1.241 1.00 1.00 C HETATM 147 CE NLE A 8 29.403 22.217 -0.163 1.00 1.00 C HETATM 0 HG3 NLE A 8 28.869 19.063 -1.505 1.00 1.00 H new HETATM 0 HG2 NLE A 8 28.682 19.598 0.154 1.00 1.00 H new HETATM 0 HE3 NLE A 8 28.764 22.060 0.706 1.00 1.00 H new HETATM 0 HE2 NLE A 8 30.447 22.107 0.130 1.00 1.00 H new HETATM 0 HE1 NLE A 8 29.240 23.220 -0.557 1.00 1.00 H new HETATM 0 HD3 NLE A 8 29.684 21.359 -2.119 1.00 1.00 H new HETATM 0 HD2 NLE A 8 28.027 21.313 -1.552 1.00 1.00 H new HETATM 0 HB3 NLE A 8 30.721 18.423 0.131 1.00 1.00 H new HETATM 0 HB2 NLE A 8 31.186 20.112 0.156 1.00 1.00 H new HETATM 0 HA NLE A 8 30.932 18.730 -2.482 1.00 1.00 H new HETATM 159 N DNE A 9 32.722 20.307 -3.523 1.00 1.00 N HETATM 160 CA DNE A 9 33.171 21.433 -4.332 1.00 1.00 C HETATM 161 C DNE A 9 34.526 21.999 -3.880 1.00 1.00 C HETATM 162 O DNE A 9 35.458 22.084 -4.675 1.00 1.00 O HETATM 163 CB DNE A 9 33.198 21.009 -5.809 1.00 1.00 C HETATM 164 CG DNE A 9 31.825 20.522 -6.292 1.00 1.00 C HETATM 165 CD DNE A 9 31.876 20.193 -7.787 1.00 1.00 C HETATM 166 CE DNE A 9 30.513 19.691 -8.270 1.00 1.00 C HETATM 0 HG3 DNE A 9 31.525 19.639 -5.728 1.00 1.00 H new HETATM 0 HG2 DNE A 9 31.073 21.289 -6.106 1.00 1.00 H new HETATM 0 HE3 DNE A 9 30.240 18.792 -7.718 1.00 1.00 H new HETATM 0 HE2 DNE A 9 29.761 20.462 -8.102 1.00 1.00 H new HETATM 0 HE1 DNE A 9 30.566 19.462 -9.334 1.00 1.00 H new HETATM 0 HD3 DNE A 9 32.165 21.080 -8.351 1.00 1.00 H new HETATM 0 HD2 DNE A 9 32.637 19.435 -7.973 1.00 1.00 H new HETATM 0 HB3 DNE A 9 33.520 21.851 -6.422 1.00 1.00 H new HETATM 0 HB2 DNE A 9 33.933 20.215 -5.945 1.00 1.00 H new HETATM 0 HA DNE A 9 32.461 22.249 -4.198 1.00 1.00 H new HETATM 178 N NLO A 10 34.625 22.416 -2.616 1.00 1.00 N HETATM 179 CA NLO A 10 35.759 23.173 -2.089 1.00 1.00 C HETATM 180 C NLO A 10 37.087 22.477 -2.390 1.00 1.00 C HETATM 181 O NLO A 10 38.010 23.112 -2.896 1.00 1.00 O HETATM 182 CB NLO A 10 35.608 23.404 -0.578 1.00 1.00 C HETATM 183 CG NLO A 10 34.176 23.759 -0.161 1.00 1.00 C HETATM 184 CD NLO A 10 34.159 24.484 1.188 1.00 1.00 C HETATM 185 CE NLO A 10 32.715 24.757 1.616 1.00 1.00 C HETATM 186 OH NLO A 10 37.124 21.155 -2.044 1.00 1.00 O HETATM 187 C1 NLO A 10 38.107 20.426 -2.747 1.00 1.00 C HETATM 0 HG3 NLO A 10 33.718 24.390 -0.923 1.00 1.00 H new HETATM 0 HG2 NLO A 10 33.577 22.851 -0.097 1.00 1.00 H new HETATM 0 HE3 NLO A 10 32.225 25.380 0.868 1.00 1.00 H new HETATM 0 HE2 NLO A 10 32.178 23.813 1.709 1.00 1.00 H new HETATM 0 HE1 NLO A 10 32.711 25.273 2.576 1.00 1.00 H new HETATM 0 HD3 NLO A 10 34.662 23.879 1.942 1.00 1.00 H new HETATM 0 HD2 NLO A 10 34.709 25.422 1.113 1.00 1.00 H new HETATM 0 HB3 NLO A 10 35.922 22.506 -0.047 1.00 1.00 H new HETATM 0 HB2 NLO A 10 36.278 24.207 -0.271 1.00 1.00 H new HETATM 0 HA NLO A 10 35.766 24.141 -2.591 1.00 1.00 H new HETATM 0 H13 NLO A 10 37.905 20.481 -3.817 1.00 1.00 H new HETATM 0 H12 NLO A 10 39.090 20.849 -2.541 1.00 1.00 H new HETATM 0 H11 NLO A 10 38.085 19.384 -2.427 1.00 1.00 H new TER 202 NLO A 10 HETATM 203 C DNG B 1 33.498 19.668 4.728 1.00 1.00 C HETATM 204 N DNG B 1 35.138 21.151 3.606 1.00 1.00 N HETATM 205 O DNG B 1 33.436 19.142 5.840 1.00 1.00 O HETATM 206 C1 DNG B 1 35.011 21.026 2.287 1.00 1.00 C HETATM 207 O1 DNG B 1 33.929 20.838 1.736 1.00 1.00 O HETATM 208 CA DNG B 1 34.034 21.099 4.555 1.00 1.00 C HETATM 209 CB DNG B 1 34.488 21.694 5.899 1.00 1.00 C HETATM 210 CD DNG B 1 33.983 24.126 5.323 1.00 1.00 C HETATM 211 CE DNG B 1 34.547 25.548 5.342 1.00 1.00 C HETATM 212 CG DNG B 1 35.040 23.125 5.803 1.00 1.00 C HETATM 0 HGA DNG B 1 35.413 23.434 6.779 1.00 1.00 H new HETATM 0 HG DNG B 1 35.888 23.140 5.119 1.00 1.00 H new HETATM 0 HEB DNG B 1 34.846 25.807 6.358 1.00 1.00 H new HETATM 0 HEA DNG B 1 35.414 25.604 4.683 1.00 1.00 H new HETATM 0 HE DNG B 1 33.784 26.247 4.998 1.00 1.00 H new HETATM 0 HDA DNG B 1 33.102 24.069 5.962 1.00 1.00 H new HETATM 0 HD DNG B 1 33.661 23.869 4.314 1.00 1.00 H new HETATM 0 HC1 DNG B 1 35.906 21.093 1.669 1.00 1.00 H new HETATM 0 HBA DNG B 1 33.644 21.688 6.589 1.00 1.00 H new HETATM 0 HB DNG B 1 35.255 21.049 6.328 1.00 1.00 H new HETATM 0 HA DNG B 1 33.209 21.694 4.163 1.00 1.00 H new HETATM 0 H DNG B 1 36.076 21.294 3.979 1.00 1.00 H new HETATM 225 N NLE B 2 33.078 19.032 3.635 1.00 1.00 N HETATM 226 CA NLE B 2 32.281 17.816 3.645 1.00 1.00 C HETATM 227 C NLE B 2 32.333 17.062 2.319 1.00 1.00 C HETATM 228 O NLE B 2 32.911 17.538 1.343 1.00 1.00 O HETATM 229 CB NLE B 2 30.844 18.146 4.090 1.00 1.00 C HETATM 230 CG NLE B 2 30.161 19.158 3.159 1.00 1.00 C HETATM 231 CD NLE B 2 28.820 19.649 3.719 1.00 1.00 C HETATM 232 CE NLE B 2 27.786 18.525 3.825 1.00 1.00 C HETATM 0 HG3 NLE B 2 30.822 20.011 3.005 1.00 1.00 H new HETATM 0 HG2 NLE B 2 29.999 18.700 2.183 1.00 1.00 H new HETATM 0 HE3 NLE B 2 27.604 18.104 2.836 1.00 1.00 H new HETATM 0 HE2 NLE B 2 28.162 17.746 4.488 1.00 1.00 H new HETATM 0 HE1 NLE B 2 26.855 18.924 4.227 1.00 1.00 H new HETATM 0 HD3 NLE B 2 28.979 20.087 4.704 1.00 1.00 H new HETATM 0 HD2 NLE B 2 28.429 20.439 3.078 1.00 1.00 H new HETATM 0 HB3 NLE B 2 30.256 17.229 4.119 1.00 1.00 H new HETATM 0 HB2 NLE B 2 30.863 18.545 5.104 1.00 1.00 H new HETATM 0 HA NLE B 2 32.715 17.128 4.370 1.00 1.00 H new HETATM 0 H NLE B 2 33.594 19.296 2.796 1.00 1.00 H new HETATM 244 N DNE B 3 31.721 15.876 2.309 1.00 1.00 N HETATM 245 CA DNE B 3 31.635 14.965 1.180 1.00 1.00 C HETATM 246 C DNE B 3 32.464 13.733 1.536 1.00 1.00 C HETATM 247 O DNE B 3 31.964 12.802 2.169 1.00 1.00 O HETATM 248 CB DNE B 3 30.167 14.593 0.929 1.00 1.00 C HETATM 249 CG DNE B 3 29.348 15.813 0.487 1.00 1.00 C HETATM 250 CD DNE B 3 27.851 15.502 0.377 1.00 1.00 C HETATM 251 CE DNE B 3 27.545 14.457 -0.699 1.00 1.00 C HETATM 0 HG3 DNE B 3 29.496 16.625 1.199 1.00 1.00 H new HETATM 0 HG2 DNE B 3 29.715 16.164 -0.477 1.00 1.00 H new HETATM 0 HE3 DNE B 3 27.883 14.823 -1.668 1.00 1.00 H new HETATM 0 HE2 DNE B 3 28.063 13.528 -0.462 1.00 1.00 H new HETATM 0 HE1 DNE B 3 26.471 14.275 -0.734 1.00 1.00 H new HETATM 0 HD3 DNE B 3 27.486 15.144 1.340 1.00 1.00 H new HETATM 0 HD2 DNE B 3 27.308 16.420 0.152 1.00 1.00 H new HETATM 0 HB3 DNE B 3 30.112 13.819 0.163 1.00 1.00 H new HETATM 0 HB2 DNE B 3 29.736 14.173 1.838 1.00 1.00 H new HETATM 0 HA DNE B 3 32.017 15.421 0.267 1.00 1.00 H new HETATM 263 N NLE B 4 33.740 13.739 1.158 1.00 1.00 N HETATM 264 CA NLE B 4 34.682 12.690 1.514 1.00 1.00 C HETATM 265 C NLE B 4 35.429 13.151 2.771 1.00 1.00 C HETATM 266 O NLE B 4 35.416 14.335 3.094 1.00 1.00 O HETATM 267 CB NLE B 4 35.651 12.401 0.360 1.00 1.00 C HETATM 268 CG NLE B 4 34.900 11.981 -0.909 1.00 1.00 C HETATM 269 CD NLE B 4 35.895 11.568 -1.998 1.00 1.00 C HETATM 270 CE NLE B 4 35.157 11.163 -3.276 1.00 1.00 C HETATM 0 HG3 NLE B 4 34.229 11.152 -0.686 1.00 1.00 H new HETATM 0 HG2 NLE B 4 34.282 12.805 -1.264 1.00 1.00 H new HETATM 0 HE3 NLE B 4 34.497 10.322 -3.064 1.00 1.00 H new HETATM 0 HE2 NLE B 4 34.567 12.005 -3.638 1.00 1.00 H new HETATM 0 HE1 NLE B 4 35.881 10.873 -4.038 1.00 1.00 H new HETATM 0 HD3 NLE B 4 36.574 12.394 -2.210 1.00 1.00 H new HETATM 0 HD2 NLE B 4 36.505 10.737 -1.645 1.00 1.00 H new HETATM 0 HB3 NLE B 4 36.249 13.289 0.154 1.00 1.00 H new HETATM 0 HB2 NLE B 4 36.343 11.612 0.653 1.00 1.00 H new HETATM 0 HA NLE B 4 34.155 11.757 1.712 1.00 1.00 H new HETATM 282 N DNE B 5 36.104 12.240 3.468 1.00 1.00 N HETATM 283 CA DNE B 5 37.008 12.566 4.563 1.00 1.00 C HETATM 284 C DNE B 5 36.733 11.700 5.793 1.00 1.00 C HETATM 285 O DNE B 5 37.165 10.552 5.822 1.00 1.00 O HETATM 286 CB DNE B 5 38.409 12.320 4.007 1.00 1.00 C HETATM 287 CG DNE B 5 39.568 12.482 5.000 1.00 1.00 C HETATM 288 CD DNE B 5 39.604 13.886 5.613 1.00 1.00 C HETATM 289 CE DNE B 5 40.839 14.054 6.499 1.00 1.00 C HETATM 0 HG3 DNE B 5 39.472 11.742 5.794 1.00 1.00 H new HETATM 0 HG2 DNE B 5 40.512 12.284 4.492 1.00 1.00 H new HETATM 0 HE3 DNE B 5 40.813 13.318 7.303 1.00 1.00 H new HETATM 0 HE2 DNE B 5 41.738 13.907 5.901 1.00 1.00 H new HETATM 0 HE1 DNE B 5 40.847 15.057 6.925 1.00 1.00 H new HETATM 0 HD3 DNE B 5 39.613 14.635 4.821 1.00 1.00 H new HETATM 0 HD2 DNE B 5 38.702 14.055 6.201 1.00 1.00 H new HETATM 0 HB3 DNE B 5 38.444 11.309 3.601 1.00 1.00 H new HETATM 0 HB2 DNE B 5 38.573 13.004 3.174 1.00 1.00 H new HETATM 0 HA DNE B 5 36.881 13.595 4.900 1.00 1.00 H new HETATM 0 H DNE B 5 35.401 11.511 3.587 1.00 1.00 H new HETATM 301 N NLE B 6 36.044 12.223 6.811 1.00 1.00 N HETATM 302 CA NLE B 6 35.717 11.473 8.025 1.00 1.00 C HETATM 303 C NLE B 6 34.317 11.847 8.527 1.00 1.00 C HETATM 304 O NLE B 6 33.897 12.974 8.288 1.00 1.00 O HETATM 305 CB NLE B 6 36.756 11.765 9.122 1.00 1.00 C HETATM 306 CG NLE B 6 38.142 11.208 8.781 1.00 1.00 C HETATM 307 CD NLE B 6 39.087 11.357 9.976 1.00 1.00 C HETATM 308 CE NLE B 6 40.460 10.767 9.648 1.00 1.00 C HETATM 0 HG3 NLE B 6 38.060 10.157 8.503 1.00 1.00 H new HETATM 0 HG2 NLE B 6 38.550 11.735 7.919 1.00 1.00 H new HETATM 0 HE3 NLE B 6 40.354 9.709 9.410 1.00 1.00 H new HETATM 0 HE2 NLE B 6 40.886 11.290 8.792 1.00 1.00 H new HETATM 0 HE1 NLE B 6 41.120 10.881 10.508 1.00 1.00 H new HETATM 0 HD3 NLE B 6 39.190 12.410 10.237 1.00 1.00 H new HETATM 0 HD2 NLE B 6 38.666 10.853 10.846 1.00 1.00 H new HETATM 0 HB3 NLE B 6 36.828 12.842 9.272 1.00 1.00 H new HETATM 0 HB2 NLE B 6 36.416 11.334 10.064 1.00 1.00 H new HETATM 0 HA NLE B 6 35.733 10.409 7.788 1.00 1.00 H new HETATM 0 H NLE B 6 35.371 12.884 6.423 1.00 1.00 H new HETATM 320 C DNM B 7 31.267 10.195 9.708 1.00 1.00 C HETATM 321 N DNM B 7 33.582 10.961 9.228 1.00 1.00 N HETATM 322 O DNM B 7 30.526 9.971 10.663 1.00 1.00 O HETATM 323 C1 DNM B 7 34.006 9.579 9.498 1.00 1.00 C HETATM 324 CA DNM B 7 32.252 11.365 9.715 1.00 1.00 C HETATM 325 CB DNM B 7 32.370 12.083 11.073 1.00 1.00 C HETATM 326 CD DNM B 7 33.085 11.976 13.520 1.00 1.00 C HETATM 327 CE DNM B 7 33.917 13.262 13.522 1.00 1.00 C HETATM 328 CG DNM B 7 33.094 11.271 12.158 1.00 1.00 C HETATM 0 HGA DNM B 7 32.619 10.294 12.254 1.00 1.00 H new HETATM 0 HG DNM B 7 34.125 11.096 11.850 1.00 1.00 H new HETATM 0 HEB DNM B 7 34.952 13.026 13.274 1.00 1.00 H new HETATM 0 HEA DNM B 7 33.516 13.956 12.783 1.00 1.00 H new HETATM 0 HE DNM B 7 33.876 13.720 14.510 1.00 1.00 H new HETATM 0 HDA DNM B 7 33.471 11.296 14.280 1.00 1.00 H new HETATM 0 HD DNM B 7 32.057 12.212 13.796 1.00 1.00 H new HETATM 0 HBA DNM B 7 32.899 13.025 10.928 1.00 1.00 H new HETATM 0 HB DNM B 7 31.370 12.330 11.428 1.00 1.00 H new HETATM 0 HA DNM B 7 31.827 12.092 9.023 1.00 1.00 H new HETATM 0 H1B DNM B 7 34.027 9.408 10.574 1.00 1.00 H new HETATM 0 H1A DNM B 7 33.304 8.886 9.034 1.00 1.00 H new HETATM 0 H1 DNM B 7 35.002 9.417 9.086 1.00 1.00 H new HETATM 342 N NLE B 8 31.290 9.424 8.619 1.00 1.00 N HETATM 343 CA NLE B 8 30.558 8.183 8.467 1.00 1.00 C HETATM 344 C NLE B 8 31.103 7.062 9.368 1.00 1.00 C HETATM 345 O NLE B 8 31.531 6.017 8.882 1.00 1.00 O HETATM 346 CB NLE B 8 30.534 7.807 6.977 1.00 1.00 C HETATM 347 CG NLE B 8 29.526 6.713 6.592 1.00 1.00 C HETATM 348 CD NLE B 8 28.073 7.135 6.841 1.00 1.00 C HETATM 349 CE NLE B 8 27.112 6.099 6.253 1.00 1.00 C HETATM 0 HG3 NLE B 8 29.652 6.463 5.539 1.00 1.00 H new HETATM 0 HG2 NLE B 8 29.741 5.809 7.162 1.00 1.00 H new HETATM 0 HE3 NLE B 8 27.279 6.016 5.179 1.00 1.00 H new HETATM 0 HE2 NLE B 8 27.287 5.132 6.724 1.00 1.00 H new HETATM 0 HE1 NLE B 8 26.084 6.411 6.437 1.00 1.00 H new HETATM 0 HD3 NLE B 8 27.896 7.240 7.911 1.00 1.00 H new HETATM 0 HD2 NLE B 8 27.888 8.110 6.390 1.00 1.00 H new HETATM 0 HB3 NLE B 8 30.312 8.703 6.397 1.00 1.00 H new HETATM 0 HB2 NLE B 8 31.531 7.478 6.686 1.00 1.00 H new HETATM 0 HA NLE B 8 29.532 8.325 8.806 1.00 1.00 H new HETATM 361 N DNE B 9 31.076 7.264 10.690 1.00 1.00 N HETATM 362 CA DNE B 9 31.473 6.273 11.690 1.00 1.00 C HETATM 363 C DNE B 9 32.996 6.064 11.741 1.00 1.00 C HETATM 364 O DNE B 9 33.648 6.357 12.739 1.00 1.00 O HETATM 365 CB DNE B 9 30.848 6.603 13.058 1.00 1.00 C HETATM 366 CG DNE B 9 31.130 8.021 13.578 1.00 1.00 C HETATM 367 CD DNE B 9 30.573 8.177 14.996 1.00 1.00 C HETATM 368 CE DNE B 9 30.833 9.590 15.522 1.00 1.00 C HETATM 0 HG3 DNE B 9 32.203 8.211 13.577 1.00 1.00 H new HETATM 0 HG2 DNE B 9 30.675 8.758 12.916 1.00 1.00 H new HETATM 0 HE3 DNE B 9 31.906 9.779 15.541 1.00 1.00 H new HETATM 0 HE2 DNE B 9 30.348 10.316 14.870 1.00 1.00 H new HETATM 0 HE1 DNE B 9 30.430 9.683 16.531 1.00 1.00 H new HETATM 0 HD3 DNE B 9 29.502 7.974 14.997 1.00 1.00 H new HETATM 0 HD2 DNE B 9 31.037 7.445 15.658 1.00 1.00 H new HETATM 0 HB3 DNE B 9 29.769 6.466 12.990 1.00 1.00 H new HETATM 0 HB2 DNE B 9 31.215 5.884 13.791 1.00 1.00 H new HETATM 0 HA DNE B 9 31.073 5.306 11.386 1.00 1.00 H new HETATM 380 N NLO B 10 33.546 5.536 10.647 1.00 1.00 N HETATM 381 CA NLO B 10 34.945 5.185 10.452 1.00 1.00 C HETATM 382 C NLO B 10 35.862 6.329 10.894 1.00 1.00 C HETATM 383 O NLO B 10 35.969 7.321 10.175 1.00 1.00 O HETATM 384 CB NLO B 10 35.113 4.836 8.967 1.00 1.00 C HETATM 385 CG NLO B 10 36.556 4.525 8.552 1.00 1.00 C HETATM 386 CD NLO B 10 36.651 4.307 7.038 1.00 1.00 C HETATM 387 CE NLO B 10 36.006 2.994 6.586 1.00 1.00 C HETATM 388 OH NLO B 10 36.512 6.147 12.084 1.00 1.00 O HETATM 389 C1 NLO B 10 36.887 7.377 12.679 1.00 1.00 C HETATM 0 HG3 NLO B 10 37.209 5.346 8.848 1.00 1.00 H new HETATM 0 HG2 NLO B 10 36.906 3.635 9.075 1.00 1.00 H new HETATM 0 HE3 NLO B 10 36.504 2.157 7.075 1.00 1.00 H new HETATM 0 HE2 NLO B 10 34.950 2.995 6.856 1.00 1.00 H new HETATM 0 HE1 NLO B 10 36.104 2.894 5.505 1.00 1.00 H new HETATM 0 HD3 NLO B 10 36.169 5.139 6.525 1.00 1.00 H new HETATM 0 HD2 NLO B 10 37.699 4.313 6.740 1.00 1.00 H new HETATM 0 HB3 NLO B 10 34.487 3.975 8.735 1.00 1.00 H new HETATM 0 HB2 NLO B 10 34.746 5.668 8.366 1.00 1.00 H new HETATM 0 HA NLO B 10 35.229 4.330 11.065 1.00 1.00 H new HETATM 0 H13 NLO B 10 37.554 7.918 12.007 1.00 1.00 H new HETATM 0 H12 NLO B 10 35.996 7.977 12.867 1.00 1.00 H new HETATM 0 H11 NLO B 10 37.400 7.184 13.621 1.00 1.00 H new TER 404 NLO B 10