HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -5.103 3.925 -3.634 0.00 0.00 C+0 HETATM 2 O UNK 0 -5.503 2.700 -3.078 0.00 0.00 O+0 HETATM 3 C UNK 0 -4.750 1.523 -3.245 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.697 1.625 -3.920 0.00 0.00 O+0 HETATM 5 C UNK 0 -5.221 0.240 -2.631 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.287 0.463 -1.178 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.424 0.985 -0.636 0.00 0.00 C+0 HETATM 8 C UNK 0 -6.569 1.204 0.719 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.543 0.889 1.560 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.370 0.351 1.008 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.401 0.063 1.927 0.00 0.00 O+0 HETATM 12 C UNK 0 -4.212 0.130 -0.339 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.052 -0.396 -1.028 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.094 -0.925 -0.219 0.00 0.00 O+0 HETATM 15 C UNK 0 -0.816 -0.421 -0.484 0.00 0.00 C+0 HETATM 16 C UNK 0 0.012 -1.576 -0.997 0.00 0.00 C+0 HETATM 17 C UNK 0 1.395 -1.666 -0.487 0.00 0.00 C+0 HETATM 18 N UNK 0 1.485 -2.868 0.345 0.00 0.00 N+0 HETATM 19 C UNK 0 1.217 -4.003 -0.511 0.00 0.00 C+0 HETATM 20 C UNK 0 0.558 -2.870 1.430 0.00 0.00 C+0 HETATM 21 C UNK 0 1.994 -0.486 0.166 0.00 0.00 C+0 HETATM 22 O UNK 0 3.057 0.036 -0.586 0.00 0.00 O+0 HETATM 23 C UNK 0 4.251 -0.015 0.130 0.00 0.00 C+0 HETATM 24 C UNK 0 4.859 1.352 0.323 0.00 0.00 C+0 HETATM 25 C UNK 0 6.342 1.119 0.594 0.00 0.00 C+0 HETATM 26 O UNK 0 6.968 1.058 -0.660 0.00 0.00 O+0 HETATM 27 C UNK 0 8.310 0.747 -0.515 0.00 0.00 C+0 HETATM 28 C UNK 0 9.120 1.929 -1.019 0.00 0.00 C+0 HETATM 29 C UNK 0 10.530 1.700 -0.627 0.00 0.00 C+0 HETATM 30 O UNK 0 11.421 2.177 -1.317 0.00 0.00 O+0 HETATM 31 C UNK 0 10.924 0.925 0.559 0.00 0.00 C+0 HETATM 32 C UNK 0 12.224 0.239 0.271 0.00 0.00 C+0 HETATM 33 O UNK 0 9.996 -0.072 0.893 0.00 0.00 O+0 HETATM 34 C UNK 0 8.709 0.492 0.904 0.00 0.00 C+0 HETATM 35 O UNK 0 7.878 -0.360 1.590 0.00 0.00 O+0 HETATM 36 C UNK 0 6.532 -0.205 1.270 0.00 0.00 C+0 HETATM 37 C UNK 0 6.123 -1.309 0.345 0.00 0.00 C+0 HETATM 38 C UNK 0 5.670 -2.514 1.153 0.00 0.00 C+0 HETATM 39 O UNK 0 5.122 -0.883 -0.526 0.00 0.00 O+0 HETATM 40 C UNK 0 1.025 0.610 0.397 0.00 0.00 C+0 HETATM 41 C UNK 0 1.093 1.664 -0.684 0.00 0.00 C+0 HETATM 42 O UNK 0 -0.274 0.159 0.626 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.449 -1.456 -2.064 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.404 -0.916 -3.075 0.00 0.00 C+0 HETATM 45 O UNK 0 -3.682 -0.520 -4.221 0.00 0.00 O+0 HETATM 46 C UNK 0 -5.305 -2.043 -3.515 0.00 0.00 C+0 HETATM 47 C UNK 0 -6.204 -2.548 -2.473 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.127 -3.666 -2.872 0.00 0.00 C+0 HETATM 49 O UNK 0 -6.284 -2.170 -1.338 0.00 0.00 O+0 HETATM 50 C UNK 0 -5.652 1.107 3.012 0.00 0.00 C+0 HETATM 51 O UNK 0 -4.686 0.805 3.757 0.00 0.00 O+0 HETATM 52 C UNK 0 -6.862 1.667 3.601 0.00 0.00 C+0 HETATM 53 C UNK 0 -6.960 1.872 4.974 0.00 0.00 C+0 HETATM 54 O UNK 0 -5.990 1.587 5.874 0.00 0.00 O+0 HETATM 55 C UNK 0 -8.147 2.414 5.487 0.00 0.00 C+0 HETATM 56 C UNK 0 -9.176 2.728 4.636 0.00 0.00 C+0 HETATM 57 C UNK 0 -9.062 2.520 3.283 0.00 0.00 C+0 HETATM 58 C UNK 0 -7.898 1.984 2.744 0.00 0.00 C+0 HETATM 59 C UNK 0 -7.788 1.766 1.290 0.00 0.00 C+0 HETATM 60 O UNK 0 -8.754 2.070 0.568 0.00 0.00 O+0 HETATM 61 H UNK 0 -4.789 3.737 -4.696 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.272 4.410 -3.103 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.966 4.622 -3.599 0.00 0.00 H+0 HETATM 64 H UNK 0 -6.273 0.113 -3.023 0.00 0.00 H+0 HETATM 65 H UNK 0 -7.296 1.265 -1.245 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.527 -0.316 1.860 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.595 0.419 -1.684 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.849 0.338 -1.300 0.00 0.00 H+0 HETATM 69 H UNK 0 0.040 -1.466 -2.128 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.554 -2.546 -0.878 0.00 0.00 H+0 HETATM 71 H UNK 0 2.051 -1.911 -1.375 0.00 0.00 H+0 HETATM 72 H UNK 0 1.925 -4.834 -0.236 0.00 0.00 H+0 HETATM 73 H UNK 0 1.352 -3.765 -1.587 0.00 0.00 H+0 HETATM 74 H UNK 0 0.206 -4.401 -0.290 0.00 0.00 H+0 HETATM 75 H UNK 0 0.890 -2.110 2.181 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.474 -2.634 1.173 0.00 0.00 H+0 HETATM 77 H UNK 0 0.538 -3.830 1.982 0.00 0.00 H+0 HETATM 78 H UNK 0 2.362 -0.816 1.173 0.00 0.00 H+0 HETATM 79 H UNK 0 4.065 -0.469 1.147 0.00 0.00 H+0 HETATM 80 H UNK 0 4.373 1.829 1.214 0.00 0.00 H+0 HETATM 81 H UNK 0 4.796 1.978 -0.581 0.00 0.00 H+0 HETATM 82 H UNK 0 6.767 1.947 1.204 0.00 0.00 H+0 HETATM 83 H UNK 0 8.542 -0.094 -1.204 0.00 0.00 H+0 HETATM 84 H UNK 0 9.016 2.060 -2.123 0.00 0.00 H+0 HETATM 85 H UNK 0 8.777 2.854 -0.506 0.00 0.00 H+0 HETATM 86 H UNK 0 10.970 1.597 1.444 0.00 0.00 H+0 HETATM 87 H UNK 0 12.856 0.925 -0.342 0.00 0.00 H+0 HETATM 88 H UNK 0 12.013 -0.718 -0.251 0.00 0.00 H+0 HETATM 89 H UNK 0 12.713 0.003 1.226 0.00 0.00 H+0 HETATM 90 H UNK 0 8.800 1.479 1.421 0.00 0.00 H+0 HETATM 91 H UNK 0 5.922 -0.223 2.189 0.00 0.00 H+0 HETATM 92 H UNK 0 6.977 -1.647 -0.260 0.00 0.00 H+0 HETATM 93 H UNK 0 6.582 -3.054 1.527 0.00 0.00 H+0 HETATM 94 H UNK 0 5.127 -2.160 2.054 0.00 0.00 H+0 HETATM 95 H UNK 0 4.997 -3.167 0.596 0.00 0.00 H+0 HETATM 96 H UNK 0 1.311 1.150 1.347 0.00 0.00 H+0 HETATM 97 H UNK 0 2.114 2.108 -0.620 0.00 0.00 H+0 HETATM 98 H UNK 0 0.393 2.482 -0.446 0.00 0.00 H+0 HETATM 99 H UNK 0 0.954 1.283 -1.694 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.519 -1.736 -2.582 0.00 0.00 H+0 HETATM 101 H UNK 0 -3.794 -2.333 -1.495 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.705 -0.577 -4.078 0.00 0.00 H+0 HETATM 103 H UNK 0 -5.920 -1.762 -4.410 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.620 -2.872 -3.836 0.00 0.00 H+0 HETATM 105 H UNK 0 -8.113 -3.423 -2.415 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.741 -4.586 -2.342 0.00 0.00 H+0 HETATM 107 H UNK 0 -7.171 -3.819 -3.950 0.00 0.00 H+0 HETATM 108 H UNK 0 -5.097 1.221 5.840 0.00 0.00 H+0 HETATM 109 H UNK 0 -8.235 2.581 6.571 0.00 0.00 H+0 HETATM 110 H UNK 0 -10.094 3.150 5.056 0.00 0.00 H+0 HETATM 111 H UNK 0 -9.892 2.781 2.657 0.00 0.00 H+0 CONECT 1 2 61 62 63 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 44 64 CONECT 6 5 7 12 CONECT 7 6 8 65 CONECT 8 7 9 59 CONECT 9 8 10 50 CONECT 10 9 11 12 CONECT 11 10 66 CONECT 12 10 13 6 CONECT 13 12 14 43 67 CONECT 14 13 15 CONECT 15 14 16 42 68 CONECT 16 15 17 69 70 CONECT 17 16 18 21 71 CONECT 18 17 19 20 CONECT 19 18 72 73 74 CONECT 20 18 75 76 77 CONECT 21 17 22 40 78 CONECT 22 21 23 CONECT 23 22 24 39 79 CONECT 24 23 25 80 81 CONECT 25 24 26 36 82 CONECT 26 25 27 CONECT 27 26 28 34 83 CONECT 28 27 29 84 85 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 33 86 CONECT 32 31 87 88 89 CONECT 33 31 34 CONECT 34 33 35 27 90 CONECT 35 34 36 CONECT 36 35 37 25 91 CONECT 37 36 38 39 92 CONECT 38 37 93 94 95 CONECT 39 37 23 CONECT 40 21 41 42 96 CONECT 41 40 97 98 99 CONECT 42 40 15 CONECT 43 13 44 100 101 CONECT 44 43 45 46 5 CONECT 45 44 102 CONECT 46 44 47 103 104 CONECT 47 46 48 49 CONECT 48 47 105 106 107 CONECT 49 47 CONECT 50 9 51 52 CONECT 51 50 CONECT 52 50 53 58 CONECT 53 52 54 55 CONECT 54 53 108 CONECT 55 53 56 109 CONECT 56 55 57 110 CONECT 57 56 58 111 CONECT 58 57 59 52 CONECT 59 58 60 8 CONECT 60 59 CONECT 61 1 CONECT 62 1 CONECT 63 1 CONECT 64 5 CONECT 65 7 CONECT 66 11 CONECT 67 13 CONECT 68 15 CONECT 69 16 CONECT 70 16 CONECT 71 17 CONECT 72 19 CONECT 73 19 CONECT 74 19 CONECT 75 20 CONECT 76 20 CONECT 77 20 CONECT 78 21 CONECT 79 23 CONECT 80 24 CONECT 81 24 CONECT 82 25 CONECT 83 27 CONECT 84 28 CONECT 85 28 CONECT 86 31 CONECT 87 32 CONECT 88 32 CONECT 89 32 CONECT 90 34 CONECT 91 36 CONECT 92 37 CONECT 93 38 CONECT 94 38 CONECT 95 38 CONECT 96 40 CONECT 97 41 CONECT 98 41 CONECT 99 41 CONECT 100 43 CONECT 101 43 CONECT 102 45 CONECT 103 46 CONECT 104 46 CONECT 105 48 CONECT 106 48 CONECT 107 48 CONECT 108 54 CONECT 109 55 CONECT 110 56 CONECT 111 57 MASTER 0 0 0 0 0 0 0 0 111 0 236 0 END