USER MOD reduce.3.24.130724 H: found=0, std=0, add=223, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 232 hydrogens (232 hets) HETATM 1 C DNG A 1 36.438 9.335 4.427 1.00 1.00 C HETATM 2 N DNG A 1 37.208 8.673 6.635 1.00 1.00 N HETATM 3 O DNG A 1 36.781 9.828 3.352 1.00 1.00 O HETATM 4 C1 DNG A 1 36.699 7.824 7.523 1.00 1.00 C HETATM 5 O1 DNG A 1 36.362 6.674 7.252 1.00 1.00 O HETATM 6 CA DNG A 1 37.373 8.410 5.214 1.00 1.00 C HETATM 7 CB DNG A 1 38.844 8.613 4.814 1.00 1.00 C HETATM 8 CD DNG A 1 39.609 6.279 5.511 1.00 1.00 C HETATM 9 CE DNG A 1 40.696 5.508 6.264 1.00 1.00 C HETATM 10 CG DNG A 1 39.836 7.790 5.650 1.00 1.00 C HETATM 0 HGA DNG A 1 40.853 8.031 5.342 1.00 1.00 H new HETATM 0 HG DNG A 1 39.745 8.073 6.699 1.00 1.00 H new HETATM 0 HEB DNG A 1 41.673 5.761 5.852 1.00 1.00 H new HETATM 0 HEA DNG A 1 40.667 5.777 7.320 1.00 1.00 H new HETATM 0 HE DNG A 1 40.523 4.437 6.157 1.00 1.00 H new HETATM 0 HDA DNG A 1 39.618 5.998 4.458 1.00 1.00 H new HETATM 0 HD DNG A 1 38.627 6.014 5.904 1.00 1.00 H new HETATM 0 HC1 DNG A 1 36.574 8.168 8.550 1.00 1.00 H new HETATM 0 HBA DNG A 1 38.964 8.350 3.763 1.00 1.00 H new HETATM 0 HB DNG A 1 39.093 9.670 4.909 1.00 1.00 H new HETATM 0 HA DNG A 1 37.110 7.377 4.985 1.00 1.00 H new HETATM 0 H DNG A 1 37.508 9.585 6.979 1.00 1.00 H new HETATM 23 N NLE A 2 35.240 9.581 4.961 1.00 1.00 N HETATM 24 CA NLE A 2 34.149 10.229 4.253 1.00 1.00 C HETATM 25 C NLE A 2 33.124 10.838 5.204 1.00 1.00 C HETATM 26 O NLE A 2 33.170 10.609 6.412 1.00 1.00 O HETATM 27 CB NLE A 2 33.504 9.238 3.268 1.00 1.00 C HETATM 28 CG NLE A 2 32.976 7.974 3.965 1.00 1.00 C HETATM 29 CD NLE A 2 32.403 6.964 2.962 1.00 1.00 C HETATM 30 CE NLE A 2 31.114 7.453 2.295 1.00 1.00 C HETATM 0 HG3 NLE A 2 33.783 7.507 4.530 1.00 1.00 H new HETATM 0 HG2 NLE A 2 32.204 8.251 4.683 1.00 1.00 H new HETATM 0 HE3 NLE A 2 30.355 7.631 3.057 1.00 1.00 H new HETATM 0 HE2 NLE A 2 31.312 8.380 1.756 1.00 1.00 H new HETATM 0 HE1 NLE A 2 30.756 6.697 1.596 1.00 1.00 H new HETATM 0 HD3 NLE A 2 33.149 6.759 2.194 1.00 1.00 H new HETATM 0 HD2 NLE A 2 32.206 6.022 3.474 1.00 1.00 H new HETATM 0 HB3 NLE A 2 32.683 9.731 2.747 1.00 1.00 H new HETATM 0 HB2 NLE A 2 34.236 8.953 2.512 1.00 1.00 H new HETATM 0 HA NLE A 2 34.560 11.063 3.684 1.00 1.00 H new HETATM 0 H NLE A 2 35.253 9.573 5.981 1.00 1.00 H new HETATM 42 N DNE A 3 32.197 11.606 4.634 1.00 1.00 N HETATM 43 CA DNE A 3 31.083 12.244 5.314 1.00 1.00 C HETATM 44 C DNE A 3 31.345 13.748 5.328 1.00 1.00 C HETATM 45 O DNE A 3 30.952 14.461 4.405 1.00 1.00 O HETATM 46 CB DNE A 3 29.783 11.919 4.570 1.00 1.00 C HETATM 47 CG DNE A 3 29.480 10.417 4.585 1.00 1.00 C HETATM 48 CD DNE A 3 28.331 10.053 3.636 1.00 1.00 C HETATM 49 CE DNE A 3 27.021 10.756 4.003 1.00 1.00 C HETATM 0 HG3 DNE A 3 30.375 9.864 4.300 1.00 1.00 H new HETATM 0 HG2 DNE A 3 29.224 10.109 5.599 1.00 1.00 H new HETATM 0 HE3 DNE A 3 26.725 10.470 5.012 1.00 1.00 H new HETATM 0 HE2 DNE A 3 27.163 11.836 3.959 1.00 1.00 H new HETATM 0 HE1 DNE A 3 26.241 10.463 3.300 1.00 1.00 H new HETATM 0 HD3 DNE A 3 28.609 10.319 2.616 1.00 1.00 H new HETATM 0 HD2 DNE A 3 28.178 8.974 3.654 1.00 1.00 H new HETATM 0 HB3 DNE A 3 28.956 12.461 5.029 1.00 1.00 H new HETATM 0 HB2 DNE A 3 29.858 12.265 3.539 1.00 1.00 H new HETATM 0 HA DNE A 3 30.985 11.882 6.338 1.00 1.00 H new HETATM 61 N NLE A 4 32.031 14.227 6.362 1.00 1.00 N HETATM 62 CA NLE A 4 32.433 15.622 6.472 1.00 1.00 C HETATM 63 C NLE A 4 33.868 15.715 5.945 1.00 1.00 C HETATM 64 O NLE A 4 34.566 14.706 5.911 1.00 1.00 O HETATM 65 CB NLE A 4 32.349 16.112 7.926 1.00 1.00 C HETATM 66 CG NLE A 4 30.982 15.815 8.554 1.00 1.00 C HETATM 67 CD NLE A 4 30.914 16.394 9.971 1.00 1.00 C HETATM 68 CE NLE A 4 29.570 16.060 10.621 1.00 1.00 C HETATM 0 HG3 NLE A 4 30.190 16.244 7.940 1.00 1.00 H new HETATM 0 HG2 NLE A 4 30.814 14.738 8.585 1.00 1.00 H new HETATM 0 HE3 NLE A 4 28.762 16.485 10.025 1.00 1.00 H new HETATM 0 HE2 NLE A 4 29.451 14.978 10.674 1.00 1.00 H new HETATM 0 HE1 NLE A 4 29.538 16.479 11.627 1.00 1.00 H new HETATM 0 HD3 NLE A 4 31.727 15.991 10.575 1.00 1.00 H new HETATM 0 HD2 NLE A 4 31.049 17.475 9.936 1.00 1.00 H new HETATM 0 HB3 NLE A 4 33.131 15.633 8.516 1.00 1.00 H new HETATM 0 HB2 NLE A 4 32.537 17.185 7.958 1.00 1.00 H new HETATM 0 HA NLE A 4 31.765 16.259 5.892 1.00 1.00 H new HETATM 80 N DNE A 5 34.336 16.903 5.568 1.00 1.00 N HETATM 81 CA DNE A 5 35.748 17.137 5.277 1.00 1.00 C HETATM 82 C DNE A 5 35.963 17.914 3.978 1.00 1.00 C HETATM 83 O DNE A 5 35.826 19.132 3.977 1.00 1.00 O HETATM 84 CB DNE A 5 36.295 17.888 6.487 1.00 1.00 C HETATM 85 CG DNE A 5 37.777 18.267 6.373 1.00 1.00 C HETATM 86 CD DNE A 5 38.270 18.873 7.690 1.00 1.00 C HETATM 87 CE DNE A 5 39.745 19.266 7.575 1.00 1.00 C HETATM 0 HG3 DNE A 5 38.368 17.385 6.126 1.00 1.00 H new HETATM 0 HG2 DNE A 5 37.916 18.981 5.561 1.00 1.00 H new HETATM 0 HE3 DNE A 5 40.340 18.382 7.346 1.00 1.00 H new HETATM 0 HE2 DNE A 5 39.865 20.001 6.779 1.00 1.00 H new HETATM 0 HE1 DNE A 5 40.082 19.695 8.519 1.00 1.00 H new HETATM 0 HD3 DNE A 5 37.672 19.749 7.942 1.00 1.00 H new HETATM 0 HD2 DNE A 5 38.140 18.155 8.500 1.00 1.00 H new HETATM 0 HB3 DNE A 5 35.709 18.796 6.633 1.00 1.00 H new HETATM 0 HB2 DNE A 5 36.156 17.273 7.376 1.00 1.00 H new HETATM 0 HA DNE A 5 36.272 16.195 5.117 1.00 1.00 H new HETATM 0 H DNE A 5 33.620 17.249 4.930 1.00 1.00 H new HETATM 99 N NLE A 6 36.328 17.246 2.881 1.00 1.00 N HETATM 100 CA NLE A 6 36.627 17.881 1.597 1.00 1.00 C HETATM 101 C NLE A 6 36.034 17.048 0.453 1.00 1.00 C HETATM 102 O NLE A 6 35.945 15.837 0.609 1.00 1.00 O HETATM 103 CB NLE A 6 38.152 17.984 1.426 1.00 1.00 C HETATM 104 CG NLE A 6 38.804 18.837 2.522 1.00 1.00 C HETATM 105 CD NLE A 6 40.272 19.155 2.214 1.00 1.00 C HETATM 106 CE NLE A 6 41.143 17.896 2.172 1.00 1.00 C HETATM 0 HG3 NLE A 6 38.248 19.768 2.634 1.00 1.00 H new HETATM 0 HG2 NLE A 6 38.740 18.311 3.475 1.00 1.00 H new HETATM 0 HE3 NLE A 6 41.102 17.393 3.138 1.00 1.00 H new HETATM 0 HE2 NLE A 6 40.774 17.224 1.397 1.00 1.00 H new HETATM 0 HE1 NLE A 6 42.173 18.174 1.950 1.00 1.00 H new HETATM 0 HD3 NLE A 6 40.336 19.671 1.256 1.00 1.00 H new HETATM 0 HD2 NLE A 6 40.660 19.837 2.970 1.00 1.00 H new HETATM 0 HB3 NLE A 6 38.585 16.984 1.441 1.00 1.00 H new HETATM 0 HB2 NLE A 6 38.378 18.415 0.451 1.00 1.00 H new HETATM 0 HA NLE A 6 36.188 18.878 1.574 1.00 1.00 H new HETATM 0 H NLE A 6 35.796 16.376 2.908 1.00 1.00 H new HETATM 118 C DNM A 7 33.909 17.602 -2.466 1.00 1.00 C HETATM 119 N DNM A 7 35.640 17.633 -0.693 1.00 1.00 N HETATM 120 O DNM A 7 34.007 17.911 -3.651 1.00 1.00 O HETATM 121 C1 DNM A 7 35.709 19.076 -0.913 1.00 1.00 C HETATM 122 CA DNM A 7 35.028 16.823 -1.762 1.00 1.00 C HETATM 123 CB DNM A 7 36.130 16.341 -2.722 1.00 1.00 C HETATM 124 CD DNM A 7 36.778 14.783 -4.588 1.00 1.00 C HETATM 125 CE DNM A 7 36.299 13.672 -5.525 1.00 1.00 C HETATM 126 CG DNM A 7 35.642 15.230 -3.662 1.00 1.00 C HETATM 0 HGA DNM A 7 35.283 14.382 -3.079 1.00 1.00 H new HETATM 0 HG DNM A 7 34.800 15.588 -4.254 1.00 1.00 H new HETATM 0 HEB DNM A 7 35.966 12.818 -4.936 1.00 1.00 H new HETATM 0 HEA DNM A 7 35.471 14.039 -6.132 1.00 1.00 H new HETATM 0 HE DNM A 7 37.118 13.366 -6.176 1.00 1.00 H new HETATM 0 HDA DNM A 7 37.621 14.428 -3.995 1.00 1.00 H new HETATM 0 HD DNM A 7 37.134 15.631 -5.172 1.00 1.00 H new HETATM 0 HBA DNM A 7 36.486 17.184 -3.314 1.00 1.00 H new HETATM 0 HB DNM A 7 36.979 15.977 -2.143 1.00 1.00 H new HETATM 0 HA DNM A 7 34.551 15.940 -1.338 1.00 1.00 H new HETATM 0 H1B DNM A 7 36.296 19.280 -1.808 1.00 1.00 H new HETATM 0 H1A DNM A 7 34.702 19.473 -1.042 1.00 1.00 H new HETATM 0 H1 DNM A 7 36.180 19.553 -0.053 1.00 1.00 H new HETATM 140 N NLE A 8 32.862 17.952 -1.718 1.00 1.00 N HETATM 141 CA NLE A 8 31.798 18.842 -2.161 1.00 1.00 C HETATM 142 C NLE A 8 31.694 20.046 -1.222 1.00 1.00 C HETATM 143 O NLE A 8 32.326 20.088 -0.166 1.00 1.00 O HETATM 144 CB NLE A 8 30.477 18.073 -2.264 1.00 1.00 C HETATM 145 CG NLE A 8 30.651 16.866 -3.190 1.00 1.00 C HETATM 146 CD NLE A 8 29.322 16.155 -3.444 1.00 1.00 C HETATM 147 CE NLE A 8 28.510 16.827 -4.554 1.00 1.00 C HETATM 0 HG3 NLE A 8 31.076 17.193 -4.139 1.00 1.00 H new HETATM 0 HG2 NLE A 8 31.360 16.166 -2.747 1.00 1.00 H new HETATM 0 HE3 NLE A 8 28.294 17.858 -4.274 1.00 1.00 H new HETATM 0 HE2 NLE A 8 29.083 16.816 -5.481 1.00 1.00 H new HETATM 0 HE1 NLE A 8 27.574 16.287 -4.698 1.00 1.00 H new HETATM 0 HD3 NLE A 8 29.513 15.116 -3.714 1.00 1.00 H new HETATM 0 HD2 NLE A 8 28.737 16.143 -2.524 1.00 1.00 H new HETATM 0 HB3 NLE A 8 30.160 17.742 -1.275 1.00 1.00 H new HETATM 0 HB2 NLE A 8 29.694 18.727 -2.647 1.00 1.00 H new HETATM 0 HA NLE A 8 32.031 19.224 -3.155 1.00 1.00 H new HETATM 159 N DNE A 9 30.896 21.028 -1.640 1.00 1.00 N HETATM 160 CA DNE A 9 30.736 22.320 -0.990 1.00 1.00 C HETATM 161 C DNE A 9 31.752 23.250 -1.648 1.00 1.00 C HETATM 162 O DNE A 9 31.498 23.794 -2.720 1.00 1.00 O HETATM 163 CB DNE A 9 29.298 22.824 -1.173 1.00 1.00 C HETATM 164 CG DNE A 9 28.303 21.915 -0.441 1.00 1.00 C HETATM 165 CD DNE A 9 26.873 22.437 -0.610 1.00 1.00 C HETATM 166 CE DNE A 9 25.885 21.531 0.128 1.00 1.00 C HETATM 0 HG3 DNE A 9 28.374 20.900 -0.831 1.00 1.00 H new HETATM 0 HG2 DNE A 9 28.556 21.868 0.618 1.00 1.00 H new HETATM 0 HE3 DNE A 9 25.945 20.521 -0.278 1.00 1.00 H new HETATM 0 HE2 DNE A 9 26.133 21.511 1.189 1.00 1.00 H new HETATM 0 HE1 DNE A 9 24.873 21.915 -0.001 1.00 1.00 H new HETATM 0 HD3 DNE A 9 26.802 23.454 -0.224 1.00 1.00 H new HETATM 0 HD2 DNE A 9 26.617 22.479 -1.669 1.00 1.00 H new HETATM 0 HB3 DNE A 9 29.214 23.842 -0.793 1.00 1.00 H new HETATM 0 HB2 DNE A 9 29.053 22.858 -2.234 1.00 1.00 H new HETATM 0 HA DNE A 9 30.910 22.266 0.085 1.00 1.00 H new HETATM 178 N NLO A 10 32.923 23.388 -1.030 1.00 1.00 N HETATM 179 CA NLO A 10 34.085 24.022 -1.636 1.00 1.00 C HETATM 180 C NLO A 10 34.408 23.338 -2.968 1.00 1.00 C HETATM 181 O NLO A 10 34.823 24.018 -3.905 1.00 1.00 O HETATM 182 CB NLO A 10 35.263 23.913 -0.658 1.00 1.00 C HETATM 183 CG NLO A 10 36.577 24.458 -1.228 1.00 1.00 C HETATM 184 CD NLO A 10 37.718 24.427 -0.203 1.00 1.00 C HETATM 185 CE NLO A 10 37.506 25.408 0.955 1.00 1.00 C HETATM 186 OH NLO A 10 34.217 21.979 -2.995 1.00 1.00 O HETATM 187 C1 NLO A 10 34.979 21.345 -4.006 1.00 1.00 C HETATM 0 HG3 NLO A 10 36.861 23.872 -2.102 1.00 1.00 H new HETATM 0 HG2 NLO A 10 36.425 25.483 -1.567 1.00 1.00 H new HETATM 0 HE3 NLO A 10 37.439 26.423 0.564 1.00 1.00 H new HETATM 0 HE2 NLO A 10 36.583 25.159 1.479 1.00 1.00 H new HETATM 0 HE1 NLO A 10 38.345 25.341 1.647 1.00 1.00 H new HETATM 0 HD3 NLO A 10 37.814 23.417 0.196 1.00 1.00 H new HETATM 0 HD2 NLO A 10 38.657 24.662 -0.705 1.00 1.00 H new HETATM 0 HB3 NLO A 10 35.019 24.455 0.256 1.00 1.00 H new HETATM 0 HB2 NLO A 10 35.401 22.868 -0.381 1.00 1.00 H new HETATM 0 HA NLO A 10 33.886 25.074 -1.839 1.00 1.00 H new HETATM 0 H13 NLO A 10 34.694 21.743 -4.980 1.00 1.00 H new HETATM 0 H12 NLO A 10 36.039 21.531 -3.834 1.00 1.00 H new HETATM 0 H11 NLO A 10 34.791 20.272 -3.984 1.00 1.00 H new TER 202 NLO A 10 HETATM 203 C DNG B 1 32.774 19.581 4.255 1.00 1.00 C HETATM 204 N DNG B 1 34.218 21.039 2.956 1.00 1.00 N HETATM 205 O DNG B 1 32.519 19.139 5.376 1.00 1.00 O HETATM 206 C1 DNG B 1 34.053 21.704 1.816 1.00 1.00 C HETATM 207 O1 DNG B 1 33.109 22.459 1.598 1.00 1.00 O HETATM 208 CA DNG B 1 33.274 21.017 4.063 1.00 1.00 C HETATM 209 CB DNG B 1 33.946 21.564 5.331 1.00 1.00 C HETATM 210 CD DNG B 1 34.973 23.620 6.427 1.00 1.00 C HETATM 211 CE DNG B 1 36.170 22.870 7.019 1.00 1.00 C HETATM 212 CG DNG B 1 34.475 22.989 5.120 1.00 1.00 C HETATM 0 HGA DNG B 1 35.288 22.969 4.395 1.00 1.00 H new HETATM 0 HG DNG B 1 33.685 23.609 4.697 1.00 1.00 H new HETATM 0 HEB DNG B 1 35.885 21.839 7.231 1.00 1.00 H new HETATM 0 HEA DNG B 1 36.994 22.880 6.306 1.00 1.00 H new HETATM 0 HE DNG B 1 36.484 23.357 7.943 1.00 1.00 H new HETATM 0 HDA DNG B 1 34.161 23.633 7.154 1.00 1.00 H new HETATM 0 HD DNG B 1 35.253 24.657 6.243 1.00 1.00 H new HETATM 0 HC1 DNG B 1 34.797 21.572 1.031 1.00 1.00 H new HETATM 0 HBA DNG B 1 33.231 21.559 6.154 1.00 1.00 H new HETATM 0 HB DNG B 1 34.768 20.909 5.619 1.00 1.00 H new HETATM 0 HA DNG B 1 32.417 21.655 3.849 1.00 1.00 H new HETATM 0 H DNG B 1 35.077 20.500 3.063 1.00 1.00 H new HETATM 225 N NLE B 2 32.630 18.836 3.158 1.00 1.00 N HETATM 226 CA NLE B 2 31.951 17.552 3.131 1.00 1.00 C HETATM 227 C NLE B 2 32.348 16.709 1.923 1.00 1.00 C HETATM 228 O NLE B 2 33.003 17.190 0.999 1.00 1.00 O HETATM 229 CB NLE B 2 30.430 17.772 3.200 1.00 1.00 C HETATM 230 CG NLE B 2 29.909 18.624 2.031 1.00 1.00 C HETATM 231 CD NLE B 2 28.416 18.946 2.176 1.00 1.00 C HETATM 232 CE NLE B 2 27.526 17.704 2.074 1.00 1.00 C HETATM 0 HG3 NLE B 2 30.477 19.553 1.978 1.00 1.00 H new HETATM 0 HG2 NLE B 2 30.076 18.094 1.093 1.00 1.00 H new HETATM 0 HE3 NLE B 2 27.671 17.232 1.102 1.00 1.00 H new HETATM 0 HE2 NLE B 2 27.792 17.000 2.863 1.00 1.00 H new HETATM 0 HE1 NLE B 2 26.481 17.995 2.184 1.00 1.00 H new HETATM 0 HD3 NLE B 2 28.246 19.431 3.137 1.00 1.00 H new HETATM 0 HD2 NLE B 2 28.126 19.659 1.404 1.00 1.00 H new HETATM 0 HB3 NLE B 2 29.925 16.806 3.196 1.00 1.00 H new HETATM 0 HB2 NLE B 2 30.178 18.259 4.142 1.00 1.00 H new HETATM 0 HA NLE B 2 32.265 16.982 4.006 1.00 1.00 H new HETATM 0 H NLE B 2 33.287 19.081 2.418 1.00 1.00 H new HETATM 244 N DNE B 3 31.922 15.448 1.947 1.00 1.00 N HETATM 245 CA DNE B 3 32.096 14.463 0.895 1.00 1.00 C HETATM 246 C DNE B 3 33.100 13.430 1.394 1.00 1.00 C HETATM 247 O DNE B 3 32.715 12.414 1.974 1.00 1.00 O HETATM 248 CB DNE B 3 30.738 13.819 0.591 1.00 1.00 C HETATM 249 CG DNE B 3 29.745 14.854 0.055 1.00 1.00 C HETATM 250 CD DNE B 3 28.322 14.290 -0.056 1.00 1.00 C HETATM 251 CE DNE B 3 28.232 13.105 -1.020 1.00 1.00 C HETATM 0 HG3 DNE B 3 29.739 15.723 0.712 1.00 1.00 H new HETATM 0 HG2 DNE B 3 30.075 15.198 -0.925 1.00 1.00 H new HETATM 0 HE3 DNE B 3 28.545 13.421 -2.015 1.00 1.00 H new HETATM 0 HE2 DNE B 3 28.883 12.303 -0.672 1.00 1.00 H new HETATM 0 HE1 DNE B 3 27.204 12.746 -1.060 1.00 1.00 H new HETATM 0 HD3 DNE B 3 27.981 13.977 0.931 1.00 1.00 H new HETATM 0 HD2 DNE B 3 27.648 15.078 -0.391 1.00 1.00 H new HETATM 0 HB3 DNE B 3 30.866 13.021 -0.140 1.00 1.00 H new HETATM 0 HB2 DNE B 3 30.338 13.361 1.496 1.00 1.00 H new HETATM 0 HA DNE B 3 32.470 14.914 -0.024 1.00 1.00 H new HETATM 263 N NLE B 4 34.387 13.701 1.195 1.00 1.00 N HETATM 264 CA NLE B 4 35.456 12.845 1.698 1.00 1.00 C HETATM 265 C NLE B 4 35.921 13.441 3.030 1.00 1.00 C HETATM 266 O NLE B 4 35.692 14.621 3.277 1.00 1.00 O HETATM 267 CB NLE B 4 36.619 12.744 0.700 1.00 1.00 C HETATM 268 CG NLE B 4 36.149 12.232 -0.668 1.00 1.00 C HETATM 269 CD NLE B 4 37.291 12.185 -1.691 1.00 1.00 C HETATM 270 CE NLE B 4 38.371 11.163 -1.324 1.00 1.00 C HETATM 0 HG3 NLE B 4 35.723 11.235 -0.555 1.00 1.00 H new HETATM 0 HG2 NLE B 4 35.354 12.877 -1.042 1.00 1.00 H new HETATM 0 HE3 NLE B 4 38.801 11.420 -0.356 1.00 1.00 H new HETATM 0 HE2 NLE B 4 37.928 10.168 -1.272 1.00 1.00 H new HETATM 0 HE1 NLE B 4 39.154 11.173 -2.082 1.00 1.00 H new HETATM 0 HD3 NLE B 4 36.884 11.941 -2.673 1.00 1.00 H new HETATM 0 HD2 NLE B 4 37.744 13.173 -1.770 1.00 1.00 H new HETATM 0 HB3 NLE B 4 37.084 13.723 0.582 1.00 1.00 H new HETATM 0 HB2 NLE B 4 37.382 12.074 1.097 1.00 1.00 H new HETATM 0 HA NLE B 4 35.089 11.828 1.838 1.00 1.00 H new HETATM 282 N DNE B 5 36.595 12.665 3.877 1.00 1.00 N HETATM 283 CA DNE B 5 37.276 13.191 5.057 1.00 1.00 C HETATM 284 C DNE B 5 36.986 12.378 6.319 1.00 1.00 C HETATM 285 O DNE B 5 37.594 11.329 6.509 1.00 1.00 O HETATM 286 CB DNE B 5 38.762 13.188 4.707 1.00 1.00 C HETATM 287 CG DNE B 5 39.668 13.701 5.833 1.00 1.00 C HETATM 288 CD DNE B 5 41.108 13.838 5.330 1.00 1.00 C HETATM 289 CE DNE B 5 42.020 14.335 6.453 1.00 1.00 C HETATM 0 HG3 DNE B 5 39.306 14.665 6.190 1.00 1.00 H new HETATM 0 HG2 DNE B 5 39.634 13.014 6.679 1.00 1.00 H new HETATM 0 HE3 DNE B 5 41.672 15.307 6.801 1.00 1.00 H new HETATM 0 HE2 DNE B 5 41.999 13.625 7.280 1.00 1.00 H new HETATM 0 HE1 DNE B 5 43.040 14.427 6.080 1.00 1.00 H new HETATM 0 HD3 DNE B 5 41.465 12.876 4.962 1.00 1.00 H new HETATM 0 HD2 DNE B 5 41.142 14.533 4.491 1.00 1.00 H new HETATM 0 HB3 DNE B 5 39.062 12.173 4.447 1.00 1.00 H new HETATM 0 HB2 DNE B 5 38.917 13.803 3.821 1.00 1.00 H new HETATM 0 HA DNE B 5 36.920 14.193 5.295 1.00 1.00 H new HETATM 0 H DNE B 5 36.003 11.838 3.956 1.00 1.00 H new HETATM 301 N NLE B 6 36.099 12.847 7.200 1.00 1.00 N HETATM 302 CA NLE B 6 35.768 12.184 8.462 1.00 1.00 C HETATM 303 C NLE B 6 34.258 12.286 8.717 1.00 1.00 C HETATM 304 O NLE B 6 33.672 13.280 8.306 1.00 1.00 O HETATM 305 CB NLE B 6 36.534 12.856 9.614 1.00 1.00 C HETATM 306 CG NLE B 6 38.053 12.776 9.432 1.00 1.00 C HETATM 307 CD NLE B 6 38.771 13.294 10.682 1.00 1.00 C HETATM 308 CE NLE B 6 40.288 13.252 10.478 1.00 1.00 C HETATM 0 HG3 NLE B 6 38.348 11.745 9.237 1.00 1.00 H new HETATM 0 HG2 NLE B 6 38.353 13.363 8.564 1.00 1.00 H new HETATM 0 HE3 NLE B 6 40.601 12.226 10.287 1.00 1.00 H new HETATM 0 HE2 NLE B 6 40.558 13.878 9.627 1.00 1.00 H new HETATM 0 HE1 NLE B 6 40.786 13.623 11.374 1.00 1.00 H new HETATM 0 HD3 NLE B 6 38.454 14.315 10.895 1.00 1.00 H new HETATM 0 HD2 NLE B 6 38.496 12.688 11.545 1.00 1.00 H new HETATM 0 HB3 NLE B 6 36.234 13.902 9.685 1.00 1.00 H new HETATM 0 HB2 NLE B 6 36.258 12.381 10.556 1.00 1.00 H new HETATM 0 HA NLE B 6 36.053 11.134 8.404 1.00 1.00 H new HETATM 0 H NLE B 6 35.363 13.283 6.645 1.00 1.00 H new HETATM 320 C DNM B 7 31.452 10.046 9.508 1.00 1.00 C HETATM 321 N DNM B 7 33.602 11.318 9.384 1.00 1.00 N HETATM 322 O DNM B 7 30.741 9.668 10.437 1.00 1.00 O HETATM 323 C1 DNM B 7 34.263 10.117 9.898 1.00 1.00 C HETATM 324 CA DNM B 7 32.138 11.416 9.543 1.00 1.00 C HETATM 325 CB DNM B 7 31.780 12.266 10.777 1.00 1.00 C HETATM 326 CD DNM B 7 31.992 12.693 13.244 1.00 1.00 C HETATM 327 CE DNM B 7 32.656 12.248 14.548 1.00 1.00 C HETATM 328 CG DNM B 7 32.444 11.804 12.082 1.00 1.00 C HETATM 0 HGA DNM B 7 32.182 10.766 12.285 1.00 1.00 H new HETATM 0 HG DNM B 7 33.529 11.846 11.982 1.00 1.00 H new HETATM 0 HEB DNM B 7 32.379 11.216 14.763 1.00 1.00 H new HETATM 0 HEA DNM B 7 33.739 12.320 14.448 1.00 1.00 H new HETATM 0 HE DNM B 7 32.324 12.891 15.363 1.00 1.00 H new HETATM 0 HDA DNM B 7 30.908 12.645 13.346 1.00 1.00 H new HETATM 0 HD DNM B 7 32.247 13.732 13.035 1.00 1.00 H new HETATM 0 HBA DNM B 7 32.065 13.300 10.585 1.00 1.00 H new HETATM 0 HB DNM B 7 30.698 12.253 10.910 1.00 1.00 H new HETATM 0 HA DNM B 7 31.736 11.943 8.678 1.00 1.00 H new HETATM 0 H1B DNM B 7 34.086 10.035 10.970 1.00 1.00 H new HETATM 0 H1A DNM B 7 33.861 9.237 9.395 1.00 1.00 H new HETATM 0 H1 DNM B 7 35.335 10.184 9.712 1.00 1.00 H new HETATM 342 N NLE B 8 31.698 9.293 8.436 1.00 1.00 N HETATM 343 CA NLE B 8 31.295 7.902 8.288 1.00 1.00 C HETATM 344 C NLE B 8 32.486 7.083 7.785 1.00 1.00 C HETATM 345 O NLE B 8 33.521 7.634 7.411 1.00 1.00 O HETATM 346 CB NLE B 8 30.075 7.773 7.366 1.00 1.00 C HETATM 347 CG NLE B 8 28.853 8.485 7.961 1.00 1.00 C HETATM 348 CD NLE B 8 27.585 8.126 7.180 1.00 1.00 C HETATM 349 CE NLE B 8 26.384 8.898 7.730 1.00 1.00 C HETATM 0 HG3 NLE B 8 28.734 8.202 9.007 1.00 1.00 H new HETATM 0 HG2 NLE B 8 29.007 9.564 7.938 1.00 1.00 H new HETATM 0 HE3 NLE B 8 26.238 8.644 8.780 1.00 1.00 H new HETATM 0 HE2 NLE B 8 26.566 9.969 7.638 1.00 1.00 H new HETATM 0 HE1 NLE B 8 25.491 8.632 7.165 1.00 1.00 H new HETATM 0 HD3 NLE B 8 27.722 8.359 6.124 1.00 1.00 H new HETATM 0 HD2 NLE B 8 27.399 7.054 7.249 1.00 1.00 H new HETATM 0 HB3 NLE B 8 30.307 8.198 6.389 1.00 1.00 H new HETATM 0 HB2 NLE B 8 29.845 6.719 7.209 1.00 1.00 H new HETATM 0 HA NLE B 8 30.990 7.508 9.258 1.00 1.00 H new HETATM 0 H NLE B 8 32.653 9.574 8.212 1.00 1.00 H new HETATM 361 N DNE B 9 32.324 5.760 7.805 1.00 1.00 N HETATM 362 CA DNE B 9 33.364 4.782 7.526 1.00 1.00 C HETATM 363 C DNE B 9 34.007 4.474 8.876 1.00 1.00 C HETATM 364 O DNE B 9 33.562 3.584 9.597 1.00 1.00 O HETATM 365 CB DNE B 9 32.752 3.529 6.884 1.00 1.00 C HETATM 366 CG DNE B 9 32.187 3.843 5.492 1.00 1.00 C HETATM 367 CD DNE B 9 31.470 2.640 4.866 1.00 1.00 C HETATM 368 CE DNE B 9 32.417 1.469 4.590 1.00 1.00 C HETATM 0 HG3 DNE B 9 31.491 4.679 5.565 1.00 1.00 H new HETATM 0 HG2 DNE B 9 32.998 4.160 4.837 1.00 1.00 H new HETATM 0 HE3 DNE B 9 33.199 1.788 3.901 1.00 1.00 H new HETATM 0 HE2 DNE B 9 32.870 1.139 5.525 1.00 1.00 H new HETATM 0 HE1 DNE B 9 31.857 0.645 4.147 1.00 1.00 H new HETATM 0 HD3 DNE B 9 30.674 2.309 5.533 1.00 1.00 H new HETATM 0 HD2 DNE B 9 30.998 2.948 3.933 1.00 1.00 H new HETATM 0 HB3 DNE B 9 33.510 2.750 6.805 1.00 1.00 H new HETATM 0 HB2 DNE B 9 31.959 3.139 7.523 1.00 1.00 H new HETATM 0 HA DNE B 9 34.107 5.153 6.820 1.00 1.00 H new HETATM 380 N NLO B 10 35.020 5.257 9.240 1.00 1.00 N HETATM 381 CA NLO B 10 35.566 5.287 10.588 1.00 1.00 C HETATM 382 C NLO B 10 34.454 5.645 11.579 1.00 1.00 C HETATM 383 O NLO B 10 34.457 5.130 12.696 1.00 1.00 O HETATM 384 CB NLO B 10 36.694 6.326 10.633 1.00 1.00 C HETATM 385 CG NLO B 10 37.364 6.434 12.006 1.00 1.00 C HETATM 386 CD NLO B 10 38.513 7.451 12.016 1.00 1.00 C HETATM 387 CE NLO B 10 39.693 7.030 11.134 1.00 1.00 C HETATM 388 OH NLO B 10 33.530 6.553 11.126 1.00 1.00 O HETATM 389 C1 NLO B 10 32.964 7.318 12.174 1.00 1.00 C HETATM 0 HG3 NLO B 10 36.620 6.722 12.749 1.00 1.00 H new HETATM 0 HG2 NLO B 10 37.745 5.456 12.300 1.00 1.00 H new HETATM 0 HE3 NLO B 10 40.090 6.079 11.488 1.00 1.00 H new HETATM 0 HE2 NLO B 10 39.356 6.922 10.103 1.00 1.00 H new HETATM 0 HE1 NLO B 10 40.473 7.790 11.183 1.00 1.00 H new HETATM 0 HD3 NLO B 10 38.139 8.417 11.676 1.00 1.00 H new HETATM 0 HD2 NLO B 10 38.862 7.587 13.040 1.00 1.00 H new HETATM 0 HB3 NLO B 10 37.447 6.067 9.888 1.00 1.00 H new HETATM 0 HB2 NLO B 10 36.292 7.300 10.355 1.00 1.00 H new HETATM 0 HA NLO B 10 35.967 4.311 10.862 1.00 1.00 H new HETATM 0 H13 NLO B 10 32.464 6.655 12.880 1.00 1.00 H new HETATM 0 H12 NLO B 10 33.751 7.869 12.689 1.00 1.00 H new HETATM 0 H11 NLO B 10 32.240 8.021 11.762 1.00 1.00 H new TER 404 NLO B 10