HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 3.652 -3.954 -6.574 0.00 0.00 C+0 HETATM 2 C UNK 0 2.182 -3.602 -6.336 0.00 0.00 C+0 HETATM 3 C UNK 0 1.418 -4.878 -5.864 0.00 0.00 C+0 HETATM 4 C UNK 0 0.870 -4.854 -4.421 0.00 0.00 C+0 HETATM 5 C UNK 0 1.674 -3.981 -3.454 0.00 0.00 C+0 HETATM 6 O UNK 0 1.072 -4.044 -2.154 0.00 0.00 O+0 HETATM 7 C UNK 0 1.494 -3.204 -1.169 0.00 0.00 C+0 HETATM 8 O UNK 0 0.954 -3.243 -0.069 0.00 0.00 O+0 HETATM 9 C UNK 0 2.678 -2.292 -1.504 0.00 0.00 C+0 HETATM 10 C UNK 0 3.969 -2.936 -0.944 0.00 0.00 C+0 HETATM 11 C UNK 0 4.936 -1.745 -0.951 0.00 0.00 C+0 HETATM 12 C UNK 0 5.341 -1.408 -2.399 0.00 0.00 C+0 HETATM 13 C UNK 0 4.330 -1.916 -3.460 0.00 0.00 C+0 HETATM 14 O UNK 0 4.661 -3.258 -3.791 0.00 0.00 O+0 HETATM 15 C UNK 0 2.845 -1.833 -3.004 0.00 0.00 C+0 HETATM 16 C UNK 0 1.768 -2.522 -3.901 0.00 0.00 C+0 HETATM 17 C UNK 0 0.440 -1.684 -3.716 0.00 0.00 C+0 HETATM 18 O UNK 0 0.191 -1.033 -4.992 0.00 0.00 O+0 HETATM 19 C UNK 0 0.561 -2.056 -5.886 0.00 0.00 C+0 HETATM 20 O UNK 0 0.752 -1.852 -7.269 0.00 0.00 O+0 HETATM 21 C UNK 0 1.593 -2.980 -7.653 0.00 0.00 C+0 HETATM 22 C UNK 0 1.955 -2.423 -5.407 0.00 0.00 C+0 HETATM 23 C UNK 0 4.008 -0.694 -0.409 0.00 0.00 C+0 HETATM 24 C UNK 0 2.742 -1.025 -0.676 0.00 0.00 C+0 HETATM 25 O UNK 0 1.636 -0.296 -0.370 0.00 0.00 O+0 HETATM 26 C UNK 0 1.858 0.813 0.522 0.00 0.00 C+0 HETATM 27 C UNK 0 3.206 1.526 0.287 0.00 0.00 C+0 HETATM 28 C UNK 0 4.400 0.561 0.264 0.00 0.00 C+0 HETATM 29 C UNK 0 1.675 0.398 1.993 0.00 0.00 C+0 HETATM 30 O UNK 0 2.558 -0.083 2.696 0.00 0.00 O+0 HETATM 31 C UNK 0 0.309 0.816 2.524 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.438 0.976 1.188 0.00 0.00 C+0 HETATM 33 C UNK 0 0.598 1.723 0.346 0.00 0.00 C+0 HETATM 34 C UNK 0 0.715 3.173 0.860 0.00 0.00 C+0 HETATM 35 C UNK 0 0.262 3.381 2.318 0.00 0.00 C+0 HETATM 36 O UNK 0 -1.138 3.647 2.337 0.00 0.00 O+0 HETATM 37 C UNK 0 0.572 2.185 3.258 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.125 2.219 4.674 0.00 0.00 C+0 HETATM 39 C UNK 0 0.826 1.518 5.665 0.00 0.00 C+0 HETATM 40 O UNK 0 1.752 2.530 6.062 0.00 0.00 O+0 HETATM 41 C UNK 0 1.041 3.763 6.146 0.00 0.00 C+0 HETATM 42 O UNK 0 0.663 4.030 7.497 0.00 0.00 O+0 HETATM 43 C UNK 0 -0.693 3.616 7.665 0.00 0.00 C+0 HETATM 44 C UNK 0 -1.364 3.890 6.321 0.00 0.00 C+0 HETATM 45 C UNK 0 -1.752 5.386 6.276 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.631 3.056 6.103 0.00 0.00 C+0 HETATM 47 C UNK 0 -2.349 1.599 5.770 0.00 0.00 C+0 HETATM 48 C UNK 0 -1.463 1.492 4.532 0.00 0.00 C+0 HETATM 49 O UNK 0 -1.238 0.099 4.277 0.00 0.00 O+0 HETATM 50 C UNK 0 -0.362 -0.284 3.317 0.00 0.00 C+0 HETATM 51 O UNK 0 -0.194 -1.474 3.084 0.00 0.00 O+0 HETATM 52 C UNK 0 -0.233 3.624 5.308 0.00 0.00 C+0 HETATM 53 H UNK 0 4.072 -4.519 -5.738 0.00 0.00 H+0 HETATM 54 H UNK 0 4.263 -3.057 -6.724 0.00 0.00 H+0 HETATM 55 H UNK 0 3.760 -4.581 -7.466 0.00 0.00 H+0 HETATM 56 H UNK 0 0.580 -5.100 -6.537 0.00 0.00 H+0 HETATM 57 H UNK 0 2.078 -5.751 -5.951 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.179 -4.534 -4.423 0.00 0.00 H+0 HETATM 59 H UNK 0 0.831 -5.881 -4.037 0.00 0.00 H+0 HETATM 60 H UNK 0 2.659 -4.450 -3.372 0.00 0.00 H+0 HETATM 61 H UNK 0 4.322 -3.800 -1.513 0.00 0.00 H+0 HETATM 62 H UNK 0 3.819 -3.303 0.084 0.00 0.00 H+0 HETATM 63 H UNK 0 5.799 -1.908 -0.300 0.00 0.00 H+0 HETATM 64 H UNK 0 5.467 -0.324 -2.509 0.00 0.00 H+0 HETATM 65 H UNK 0 6.323 -1.859 -2.593 0.00 0.00 H+0 HETATM 66 H UNK 0 4.468 -1.329 -4.374 0.00 0.00 H+0 HETATM 67 H UNK 0 5.577 -3.266 -4.127 0.00 0.00 H+0 HETATM 68 H UNK 0 2.639 -0.752 -3.063 0.00 0.00 H+0 HETATM 69 H UNK 0 0.492 -0.905 -2.950 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.425 -2.318 -3.487 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.205 -2.837 -5.801 0.00 0.00 H+0 HETATM 72 H UNK 0 2.371 -2.580 -8.311 0.00 0.00 H+0 HETATM 73 H UNK 0 0.988 -3.691 -8.226 0.00 0.00 H+0 HETATM 74 H UNK 0 2.641 -1.600 -5.652 0.00 0.00 H+0 HETATM 75 H UNK 0 3.166 2.038 -0.684 0.00 0.00 H+0 HETATM 76 H UNK 0 3.404 2.284 1.053 0.00 0.00 H+0 HETATM 77 H UNK 0 4.739 0.341 1.282 0.00 0.00 H+0 HETATM 78 H UNK 0 5.236 1.038 -0.260 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.394 1.501 1.276 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.673 0.002 0.738 0.00 0.00 H+0 HETATM 81 H UNK 0 0.294 1.739 -0.708 0.00 0.00 H+0 HETATM 82 H UNK 0 1.730 3.557 0.734 0.00 0.00 H+0 HETATM 83 H UNK 0 0.090 3.801 0.211 0.00 0.00 H+0 HETATM 84 H UNK 0 0.759 4.282 2.695 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.301 4.450 1.808 0.00 0.00 H+0 HETATM 86 H UNK 0 1.654 2.277 3.437 0.00 0.00 H+0 HETATM 87 H UNK 0 0.325 1.139 6.559 0.00 0.00 H+0 HETATM 88 H UNK 0 1.389 0.685 5.234 0.00 0.00 H+0 HETATM 89 H UNK 0 1.695 4.568 5.798 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.700 2.558 7.945 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.139 4.176 8.493 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.505 5.619 7.037 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.173 5.654 5.300 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.889 6.037 6.453 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.215 3.483 5.277 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.273 3.107 6.991 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.295 1.077 5.582 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.904 1.075 6.623 0.00 0.00 H+0 HETATM 99 H UNK 0 -2.049 1.883 3.693 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.260 4.410 4.552 0.00 0.00 H+0 CONECT 1 2 53 54 55 CONECT 2 3 22 21 1 CONECT 3 4 2 56 57 CONECT 4 5 3 58 59 CONECT 5 4 6 16 60 CONECT 6 7 5 CONECT 7 9 6 8 CONECT 8 7 CONECT 9 7 10 24 15 CONECT 10 11 9 61 62 CONECT 11 10 12 23 63 CONECT 12 11 13 64 65 CONECT 13 14 15 12 66 CONECT 14 13 67 CONECT 15 16 68 13 9 CONECT 16 15 5 22 17 CONECT 17 18 16 69 70 CONECT 18 19 17 CONECT 19 20 22 18 71 CONECT 20 21 19 CONECT 21 2 20 72 73 CONECT 22 2 19 16 74 CONECT 23 24 28 11 CONECT 24 25 23 9 CONECT 25 26 24 CONECT 26 33 25 27 29 CONECT 27 26 28 75 76 CONECT 28 23 27 77 78 CONECT 29 31 26 30 CONECT 30 29 CONECT 31 50 37 32 29 CONECT 32 31 33 79 80 CONECT 33 34 32 26 81 CONECT 34 35 33 82 83 CONECT 35 37 34 36 84 CONECT 36 35 85 CONECT 37 38 31 35 86 CONECT 38 37 39 52 48 CONECT 39 38 40 87 88 CONECT 40 41 39 CONECT 41 42 52 40 89 CONECT 42 43 41 CONECT 43 44 42 90 91 CONECT 44 45 52 43 46 CONECT 45 44 92 93 94 CONECT 46 47 44 95 96 CONECT 47 46 48 97 98 CONECT 48 49 47 38 99 CONECT 49 48 50 CONECT 50 31 49 51 CONECT 51 50 CONECT 52 44 41 38 100 CONECT 53 1 CONECT 54 1 CONECT 55 1 CONECT 56 3 CONECT 57 3 CONECT 58 4 CONECT 59 4 CONECT 60 5 CONECT 61 10 CONECT 62 10 CONECT 63 11 CONECT 64 12 CONECT 65 12 CONECT 66 13 CONECT 67 14 CONECT 68 15 CONECT 69 17 CONECT 70 17 CONECT 71 19 CONECT 72 21 CONECT 73 21 CONECT 74 22 CONECT 75 27 CONECT 76 27 CONECT 77 28 CONECT 78 28 CONECT 79 32 CONECT 80 32 CONECT 81 33 CONECT 82 34 CONECT 83 34 CONECT 84 35 CONECT 85 36 CONECT 86 37 CONECT 87 39 CONECT 88 39 CONECT 89 41 CONECT 90 43 CONECT 91 43 CONECT 92 45 CONECT 93 45 CONECT 94 45 CONECT 95 46 CONECT 96 46 CONECT 97 47 CONECT 98 47 CONECT 99 48 CONECT 100 52 MASTER 0 0 0 0 0 0 0 0 100 0 224 0 END