HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 -2.116 -6.087 3.023 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.824 -5.796 1.738 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.204 -4.595 1.256 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.922 -4.517 -0.103 0.00 0.00 C+0 HETATM 5 N UNK 0 -4.992 -3.484 -0.179 0.00 0.00 N+0 HETATM 6 C UNK 0 -5.465 -3.346 -1.552 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.436 -2.237 0.369 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.923 -0.821 0.119 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.817 0.204 0.417 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.576 0.111 1.092 0.00 0.00 C+0 HETATM 11 N UNK 0 -2.075 1.409 1.096 0.00 0.00 N+0 HETATM 12 C UNK 0 -2.862 2.285 0.403 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.682 3.649 0.146 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.676 4.307 -0.582 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.804 3.624 -1.027 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.963 2.260 -0.755 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.967 1.570 -0.029 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.732 -0.952 1.891 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.231 -0.574 1.894 0.00 0.00 C+0 HETATM 20 C UNK 0 0.459 -0.519 0.660 0.00 0.00 C+0 HETATM 21 C UNK 0 1.823 -0.181 0.617 0.00 0.00 C+0 HETATM 22 C UNK 0 2.761 0.020 -0.439 0.00 0.00 C+0 HETATM 23 C UNK 0 3.980 0.262 0.165 0.00 0.00 C+0 HETATM 24 N UNK 0 3.751 0.519 1.492 0.00 0.00 N+0 HETATM 25 C UNK 0 2.470 0.131 1.819 0.00 0.00 C+0 HETATM 26 C UNK 0 1.809 0.088 3.059 0.00 0.00 C+0 HETATM 27 C UNK 0 0.456 -0.286 3.088 0.00 0.00 C+0 HETATM 28 O UNK 0 -0.284 -0.355 4.241 0.00 0.00 O+0 HETATM 29 C UNK 0 0.428 -0.386 5.472 0.00 0.00 C+0 HETATM 30 C UNK 0 4.681 1.271 2.337 0.00 0.00 C+0 HETATM 31 C UNK 0 5.961 1.800 1.609 0.00 0.00 C+0 HETATM 32 C UNK 0 5.851 3.213 0.958 0.00 0.00 C+0 HETATM 33 C UNK 0 5.716 3.277 -0.606 0.00 0.00 C+0 HETATM 34 C UNK 0 7.038 3.359 -1.389 0.00 0.00 C+0 HETATM 35 C UNK 0 7.780 4.673 -1.173 0.00 0.00 C+0 HETATM 36 C UNK 0 4.783 2.130 -1.042 0.00 0.00 C+0 HETATM 37 N UNK 0 4.269 2.089 -2.428 0.00 0.00 N+0 HETATM 38 C UNK 0 2.875 1.546 -2.496 0.00 0.00 C+0 HETATM 39 C UNK 0 2.542 0.129 -1.924 0.00 0.00 C+0 HETATM 40 C UNK 0 5.252 0.727 -0.504 0.00 0.00 C+0 HETATM 41 C UNK 0 5.761 -0.258 -1.567 0.00 0.00 C+0 HETATM 42 O UNK 0 5.440 -1.437 -1.664 0.00 0.00 O+0 HETATM 43 O UNK 0 6.727 0.325 -2.342 0.00 0.00 O+0 HETATM 44 C UNK 0 7.248 -0.526 -3.361 0.00 0.00 C+0 HETATM 45 C UNK 0 6.360 0.777 0.567 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.783 -2.465 1.506 0.00 0.00 C+0 HETATM 47 C UNK 0 -3.015 -3.272 2.021 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.285 -2.446 1.885 0.00 0.00 C+0 HETATM 49 C UNK 0 -5.486 -3.066 2.595 0.00 0.00 C+0 HETATM 50 O UNK 0 -5.416 -3.904 3.487 0.00 0.00 O+0 HETATM 51 O UNK 0 -6.648 -2.468 2.200 0.00 0.00 O+0 HETATM 52 C UNK 0 -7.814 -2.988 2.836 0.00 0.00 C+0 HETATM 53 H UNK 0 -1.275 -6.761 2.830 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.710 -5.199 3.510 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.798 -6.587 3.719 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.036 -6.685 1.144 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.371 -5.490 -0.341 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.155 -4.321 -0.865 0.00 0.00 H+0 HETATM 59 H UNK 0 -6.316 -2.657 -1.598 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.684 -2.982 -2.229 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.828 -4.307 -1.933 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.473 -2.173 -0.147 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.195 -0.706 -0.938 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.815 -0.577 0.707 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.211 1.679 1.546 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.806 4.182 0.501 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.569 5.367 -0.799 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.571 4.152 -1.588 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.850 1.740 -1.105 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.107 -0.872 2.919 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.066 -0.736 -0.268 0.00 0.00 H+0 HETATM 72 H UNK 0 2.351 0.351 3.959 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.290 -0.609 6.267 0.00 0.00 H+0 HETATM 74 H UNK 0 1.186 -1.177 5.478 0.00 0.00 H+0 HETATM 75 H UNK 0 0.872 0.590 5.690 0.00 0.00 H+0 HETATM 76 H UNK 0 4.124 2.092 2.801 0.00 0.00 H+0 HETATM 77 H UNK 0 4.983 0.568 3.123 0.00 0.00 H+0 HETATM 78 H UNK 0 6.744 1.869 2.376 0.00 0.00 H+0 HETATM 79 H UNK 0 4.987 3.731 1.396 0.00 0.00 H+0 HETATM 80 H UNK 0 6.721 3.802 1.267 0.00 0.00 H+0 HETATM 81 H UNK 0 5.188 4.219 -0.823 0.00 0.00 H+0 HETATM 82 H UNK 0 7.717 2.542 -1.140 0.00 0.00 H+0 HETATM 83 H UNK 0 6.827 3.272 -2.462 0.00 0.00 H+0 HETATM 84 H UNK 0 8.129 4.776 -0.142 0.00 0.00 H+0 HETATM 85 H UNK 0 7.142 5.530 -1.411 0.00 0.00 H+0 HETATM 86 H UNK 0 8.659 4.717 -1.824 0.00 0.00 H+0 HETATM 87 H UNK 0 3.891 2.450 -0.477 0.00 0.00 H+0 HETATM 88 H UNK 0 4.249 3.037 -2.805 0.00 0.00 H+0 HETATM 89 H UNK 0 2.203 2.277 -2.027 0.00 0.00 H+0 HETATM 90 H UNK 0 2.608 1.531 -3.560 0.00 0.00 H+0 HETATM 91 H UNK 0 1.490 -0.086 -2.150 0.00 0.00 H+0 HETATM 92 H UNK 0 3.127 -0.631 -2.452 0.00 0.00 H+0 HETATM 93 H UNK 0 6.448 -0.868 -4.026 0.00 0.00 H+0 HETATM 94 H UNK 0 7.963 0.053 -3.952 0.00 0.00 H+0 HETATM 95 H UNK 0 7.775 -1.376 -2.916 0.00 0.00 H+0 HETATM 96 H UNK 0 6.488 -0.210 1.037 0.00 0.00 H+0 HETATM 97 H UNK 0 7.343 1.012 0.149 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.629 -2.586 0.426 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.912 -2.973 1.949 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.860 -3.466 3.089 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.167 -1.504 2.431 0.00 0.00 H+0 HETATM 102 H UNK 0 -7.911 -4.062 2.647 0.00 0.00 H+0 HETATM 103 H UNK 0 -8.685 -2.483 2.411 0.00 0.00 H+0 HETATM 104 H UNK 0 -7.786 -2.784 3.911 0.00 0.00 H+0 CONECT 1 2 53 54 55 CONECT 2 3 1 56 CONECT 3 47 4 2 CONECT 4 5 3 57 58 CONECT 5 4 7 6 CONECT 6 5 59 60 61 CONECT 7 48 62 5 8 CONECT 8 9 7 63 64 CONECT 9 10 8 17 CONECT 10 9 11 18 CONECT 11 12 10 65 CONECT 12 11 13 17 CONECT 13 14 12 66 CONECT 14 15 13 67 CONECT 15 14 16 68 CONECT 16 17 15 69 CONECT 17 12 16 9 CONECT 18 19 46 10 70 CONECT 19 18 20 27 CONECT 20 21 19 71 CONECT 21 22 25 20 CONECT 22 21 23 39 CONECT 23 24 22 40 CONECT 24 25 23 30 CONECT 25 24 21 26 CONECT 26 27 25 72 CONECT 27 19 26 28 CONECT 28 27 29 CONECT 29 28 73 74 75 CONECT 30 24 31 76 77 CONECT 31 30 45 32 78 CONECT 32 31 33 79 80 CONECT 33 36 32 34 81 CONECT 34 33 35 82 83 CONECT 35 34 84 85 86 CONECT 36 40 37 33 87 CONECT 37 38 36 88 CONECT 38 39 37 89 90 CONECT 39 22 38 91 92 CONECT 40 23 36 45 41 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 CONECT 44 43 93 94 95 CONECT 45 31 40 96 97 CONECT 46 18 47 98 99 CONECT 47 46 3 48 100 CONECT 48 7 47 101 49 CONECT 49 50 48 51 CONECT 50 49 CONECT 51 52 49 CONECT 52 51 102 103 104 CONECT 53 1 CONECT 54 1 CONECT 55 1 CONECT 56 2 CONECT 57 4 CONECT 58 4 CONECT 59 6 CONECT 60 6 CONECT 61 6 CONECT 62 7 CONECT 63 8 CONECT 64 8 CONECT 65 11 CONECT 66 13 CONECT 67 14 CONECT 68 15 CONECT 69 16 CONECT 70 18 CONECT 71 20 CONECT 72 26 CONECT 73 29 CONECT 74 29 CONECT 75 29 CONECT 76 30 CONECT 77 30 CONECT 78 31 CONECT 79 32 CONECT 80 32 CONECT 81 33 CONECT 82 34 CONECT 83 34 CONECT 84 35 CONECT 85 35 CONECT 86 35 CONECT 87 36 CONECT 88 37 CONECT 89 38 CONECT 90 38 CONECT 91 39 CONECT 92 39 CONECT 93 44 CONECT 94 44 CONECT 95 44 CONECT 96 45 CONECT 97 45 CONECT 98 46 CONECT 99 46 CONECT 100 47 CONECT 101 48 CONECT 102 52 CONECT 103 52 CONECT 104 52 MASTER 0 0 0 0 0 0 0 0 104 0 224 0 END