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 -4.479 3.079 2.135 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.133 1.729 1.972 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.804 1.042 0.704 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.505 -0.282 0.628 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.315 0.961 0.374 0.00 0.00 C+0 HETATM 6 N UNK 0 -2.602 0.318 1.378 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.555 -1.046 1.727 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.945 -1.393 2.917 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.099 -2.176 0.892 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.819 -3.446 1.224 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.246 -3.545 1.081 0.00 0.00 C+0 HETATM 12 C UNK 0 -5.126 -3.431 2.119 0.00 0.00 C+0 HETATM 13 C UNK 0 -6.510 -3.537 1.935 0.00 0.00 C+0 HETATM 14 C UNK 0 -7.019 -3.761 0.695 0.00 0.00 C+0 HETATM 15 C UNK 0 -6.161 -3.882 -0.375 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.808 -3.774 -0.169 0.00 0.00 C+0 HETATM 17 N UNK 0 -0.701 -2.435 1.279 0.00 0.00 N+0 HETATM 18 C UNK 0 0.188 -3.279 0.637 0.00 0.00 C+0 HETATM 19 O UNK 0 0.799 -4.187 1.324 0.00 0.00 O+0 HETATM 20 C UNK 0 0.531 -3.252 -0.795 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.433 -4.151 -1.560 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.082 -4.128 -3.054 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.378 -5.588 -1.118 0.00 0.00 C+0 HETATM 24 N UNK 0 1.856 -3.827 -1.032 0.00 0.00 N+0 HETATM 25 C UNK 0 3.006 -3.174 -1.470 0.00 0.00 C+0 HETATM 26 O UNK 0 3.677 -3.700 -2.401 0.00 0.00 O+0 HETATM 27 C UNK 0 3.498 -1.836 -0.868 0.00 0.00 C+0 HETATM 28 C UNK 0 3.749 -2.045 0.564 0.00 0.00 C+0 HETATM 29 C UNK 0 4.263 -0.923 1.352 0.00 0.00 C+0 HETATM 30 C UNK 0 3.648 -0.063 2.234 0.00 0.00 C+0 HETATM 31 N UNK 0 4.531 0.809 2.752 0.00 0.00 N+0 HETATM 32 C UNK 0 5.748 0.535 2.214 0.00 0.00 C+0 HETATM 33 C UNK 0 6.987 1.140 2.414 0.00 0.00 C+0 HETATM 34 C UNK 0 8.085 0.662 1.732 0.00 0.00 C+0 HETATM 35 C UNK 0 7.965 -0.399 0.863 0.00 0.00 C+0 HETATM 36 Cl UNK 0 9.351 -0.998 0.002 0.00 0.00 Cl+0 HETATM 37 C UNK 0 6.724 -0.983 0.682 0.00 0.00 C+0 HETATM 38 C UNK 0 5.606 -0.530 1.349 0.00 0.00 C+0 HETATM 39 N UNK 0 2.581 -0.827 -1.304 0.00 0.00 N+0 HETATM 40 C UNK 0 2.035 0.352 -0.879 0.00 0.00 C+0 HETATM 41 O UNK 0 0.868 0.265 -0.284 0.00 0.00 O+0 HETATM 42 C UNK 0 2.447 1.765 -0.931 0.00 0.00 C+0 HETATM 43 C UNK 0 3.804 2.101 -1.399 0.00 0.00 C+0 HETATM 44 O UNK 0 4.828 1.877 -0.528 0.00 0.00 O+0 HETATM 45 C UNK 0 3.818 3.481 -1.964 0.00 0.00 C+0 HETATM 46 N UNK 0 2.926 3.876 -2.982 0.00 0.00 N+0 HETATM 47 O UNK 0 4.646 4.349 -1.540 0.00 0.00 O+0 HETATM 48 N UNK 0 2.028 2.426 0.295 0.00 0.00 N+0 HETATM 49 C UNK 0 0.670 2.644 0.625 0.00 0.00 C+0 HETATM 50 O UNK 0 0.313 2.520 1.804 0.00 0.00 O+0 HETATM 51 C UNK 0 -0.368 3.018 -0.362 0.00 0.00 C+0 HETATM 52 C UNK 0 0.021 4.503 -0.663 0.00 0.00 C+0 HETATM 53 C UNK 0 -0.928 5.094 -1.662 0.00 0.00 C+0 HETATM 54 C UNK 0 -0.564 6.532 -1.923 0.00 0.00 C+0 HETATM 55 N UNK 0 0.762 6.658 -2.442 0.00 0.00 N+0 HETATM 56 N UNK 0 -1.710 3.026 0.122 0.00 0.00 N+0 HETATM 57 C UNK 0 -2.842 2.272 -0.128 0.00 0.00 C+0 HETATM 58 O UNK 0 -3.747 2.732 -0.969 0.00 0.00 O+0 HETATM 59 H UNK 0 -4.936 3.631 3.023 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.412 2.985 2.427 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.670 3.769 1.294 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.926 1.084 2.882 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.242 1.927 2.079 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.242 1.652 -0.157 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.604 -0.756 1.628 0.00 0.00 H+0 HETATM 66 H UNK 0 -6.495 -0.164 0.131 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.891 -0.923 -0.034 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.257 0.288 -0.554 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.982 0.941 2.009 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.152 -1.927 -0.194 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.380 -4.294 0.588 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.491 -3.788 2.264 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.780 -3.270 3.122 0.00 0.00 H+0 HETATM 74 H UNK 0 -7.144 -3.433 2.811 0.00 0.00 H+0 HETATM 75 H UNK 0 -8.102 -3.834 0.611 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.582 -4.060 -1.353 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.166 -3.871 -1.012 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.372 -1.923 2.142 0.00 0.00 H+0 HETATM 79 H UNK 0 0.414 -2.249 -1.255 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.483 -3.755 -1.531 0.00 0.00 H+0 HETATM 81 H UNK 0 1.035 -4.232 -3.164 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.400 -3.198 -3.528 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.521 -5.011 -3.561 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.403 -5.967 -0.898 0.00 0.00 H+0 HETATM 85 H UNK 0 0.020 -6.237 -1.938 0.00 0.00 H+0 HETATM 86 H UNK 0 0.215 -5.789 -0.230 0.00 0.00 H+0 HETATM 87 H UNK 0 1.915 -4.873 -0.840 0.00 0.00 H+0 HETATM 88 H UNK 0 4.490 -1.682 -1.367 0.00 0.00 H+0 HETATM 89 H UNK 0 2.844 -2.421 1.092 0.00 0.00 H+0 HETATM 90 H UNK 0 4.558 -2.848 0.647 0.00 0.00 H+0 HETATM 91 H UNK 0 2.592 -0.085 2.481 0.00 0.00 H+0 HETATM 92 H UNK 0 4.336 1.573 3.449 0.00 0.00 H+0 HETATM 93 H UNK 0 7.121 1.987 3.097 0.00 0.00 H+0 HETATM 94 H UNK 0 9.052 1.155 1.903 0.00 0.00 H+0 HETATM 95 H UNK 0 6.647 -1.818 -0.007 0.00 0.00 H+0 HETATM 96 H UNK 0 2.197 -1.134 -2.305 0.00 0.00 H+0 HETATM 97 H UNK 0 1.779 2.245 -1.764 0.00 0.00 H+0 HETATM 98 H UNK 0 4.096 1.466 -2.310 0.00 0.00 H+0 HETATM 99 H UNK 0 5.648 1.506 -0.899 0.00 0.00 H+0 HETATM 100 H UNK 0 2.449 3.159 -3.549 0.00 0.00 H+0 HETATM 101 H UNK 0 2.749 4.873 -3.165 0.00 0.00 H+0 HETATM 102 H UNK 0 2.799 2.734 0.925 0.00 0.00 H+0 HETATM 103 H UNK 0 -0.197 2.537 -1.345 0.00 0.00 H+0 HETATM 104 H UNK 0 1.061 4.471 -1.012 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.008 5.011 0.318 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.738 4.559 -2.640 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.977 4.937 -1.434 0.00 0.00 H+0 HETATM 108 H UNK 0 -1.326 6.925 -2.638 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.610 7.161 -1.007 0.00 0.00 H+0 HETATM 110 H UNK 0 1.438 7.155 -1.830 0.00 0.00 H+0 HETATM 111 H UNK 0 0.847 6.808 -3.449 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.893 3.833 0.828 0.00 0.00 H+0 CONECT 1 2 59 60 61 CONECT 2 1 3 62 63 CONECT 3 2 4 5 64 CONECT 4 3 65 66 67 CONECT 5 3 6 57 68 CONECT 6 5 7 69 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 17 70 CONECT 10 9 11 71 72 CONECT 11 10 12 16 CONECT 12 11 13 73 CONECT 13 12 14 74 CONECT 14 13 15 75 CONECT 15 14 16 76 CONECT 16 15 11 77 CONECT 17 9 18 78 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 24 79 CONECT 21 20 22 23 80 CONECT 22 21 81 82 83 CONECT 23 21 84 85 86 CONECT 24 20 25 87 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 39 88 CONECT 28 27 29 89 90 CONECT 29 28 30 38 CONECT 30 29 31 91 CONECT 31 30 32 92 CONECT 32 31 33 38 CONECT 33 32 34 93 CONECT 34 33 35 94 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 95 CONECT 38 37 29 32 CONECT 39 27 40 96 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 48 97 CONECT 43 42 44 45 98 CONECT 44 43 99 CONECT 45 43 46 47 CONECT 46 45 100 101 CONECT 47 45 CONECT 48 42 49 102 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 56 103 CONECT 52 51 53 104 105 CONECT 53 52 54 106 107 CONECT 54 53 55 108 109 CONECT 55 54 110 111 CONECT 56 51 57 112 CONECT 57 56 58 5 CONECT 58 57 CONECT 59 1 CONECT 60 1 CONECT 61 1 CONECT 62 2 CONECT 63 2 CONECT 64 3 CONECT 65 4 CONECT 66 4 CONECT 67 4 CONECT 68 5 CONECT 69 6 CONECT 70 9 CONECT 71 10 CONECT 72 10 CONECT 73 12 CONECT 74 13 CONECT 75 14 CONECT 76 15 CONECT 77 16 CONECT 78 17 CONECT 79 20 CONECT 80 21 CONECT 81 22 CONECT 82 22 CONECT 83 22 CONECT 84 23 CONECT 85 23 CONECT 86 23 CONECT 87 24 CONECT 88 27 CONECT 89 28 CONECT 90 28 CONECT 91 30 CONECT 92 31 CONECT 93 33 CONECT 94 34 CONECT 95 37 CONECT 96 39 CONECT 97 42 CONECT 98 43 CONECT 99 44 CONECT 100 46 CONECT 101 46 CONECT 102 48 CONECT 103 51 CONECT 104 52 CONECT 105 52 CONECT 106 53 CONECT 107 53 CONECT 108 54 CONECT 109 54 CONECT 110 55 CONECT 111 55 CONECT 112 56 MASTER 0 0 0 0 0 0 0 0 112 0 230 0 END