HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -0.820 6.871 -1.491 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.073 5.616 -1.044 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.082 4.496 -0.743 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.940 5.032 0.335 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.218 4.771 0.366 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.222 5.701 1.006 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.721 3.529 -0.240 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.173 2.576 0.882 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.945 2.068 1.538 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.067 1.584 0.252 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.307 0.325 1.008 0.00 0.00 C+0 HETATM 12 O UNK 0 -5.073 0.409 2.358 0.00 0.00 O+0 HETATM 13 C UNK 0 -6.223 0.186 3.111 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.454 -0.776 0.355 0.00 0.00 C+0 HETATM 15 O UNK 0 -3.743 -1.474 1.294 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.133 -2.571 0.712 0.00 0.00 C+0 HETATM 17 O UNK 0 -2.550 -2.188 -0.488 0.00 0.00 O+0 HETATM 18 C UNK 0 -2.191 -3.183 1.659 0.00 0.00 C+0 HETATM 19 O UNK 0 -2.245 -2.789 2.878 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.186 -4.201 1.384 0.00 0.00 C+0 HETATM 21 O UNK 0 -1.285 -5.316 2.063 0.00 0.00 O+0 HETATM 22 N UNK 0 -0.106 -4.143 0.469 0.00 0.00 N+0 HETATM 23 C UNK 0 0.002 -5.238 -0.521 0.00 0.00 C+0 HETATM 24 C UNK 0 1.302 -5.964 -0.130 0.00 0.00 C+0 HETATM 25 C UNK 0 2.408 -5.030 -0.474 0.00 0.00 C+0 HETATM 26 C UNK 0 1.899 -3.606 -0.739 0.00 0.00 C+0 HETATM 27 C UNK 0 0.941 -3.171 0.368 0.00 0.00 C+0 HETATM 28 C UNK 0 0.559 -1.775 0.208 0.00 0.00 C+0 HETATM 29 O UNK 0 -0.116 -1.320 1.214 0.00 0.00 O+0 HETATM 30 O UNK 0 0.780 -0.898 -0.778 0.00 0.00 O+0 HETATM 31 C UNK 0 1.901 -0.404 -1.434 0.00 0.00 C+0 HETATM 32 C UNK 0 2.999 0.046 -0.601 0.00 0.00 C+0 HETATM 33 C UNK 0 3.024 1.018 0.494 0.00 0.00 C+0 HETATM 34 C UNK 0 4.219 -0.510 -0.871 0.00 0.00 C+0 HETATM 35 C UNK 0 5.434 -0.168 -0.125 0.00 0.00 C+0 HETATM 36 C UNK 0 6.542 0.290 -1.088 0.00 0.00 C+0 HETATM 37 C UNK 0 7.673 0.786 -0.193 0.00 0.00 C+0 HETATM 38 C UNK 0 8.172 -0.259 0.752 0.00 0.00 C+0 HETATM 39 O UNK 0 9.032 0.364 1.654 0.00 0.00 O+0 HETATM 40 C UNK 0 7.032 -0.838 1.561 0.00 0.00 C+0 HETATM 41 O UNK 0 7.445 -1.758 2.490 0.00 0.00 O+0 HETATM 42 C UNK 0 7.078 -1.345 3.770 0.00 0.00 C+0 HETATM 43 C UNK 0 6.030 -1.406 0.561 0.00 0.00 C+0 HETATM 44 C UNK 0 1.437 0.675 -2.361 0.00 0.00 C+0 HETATM 45 C UNK 0 2.398 0.851 -3.536 0.00 0.00 C+0 HETATM 46 C UNK 0 1.192 2.023 -1.761 0.00 0.00 C+0 HETATM 47 O UNK 0 0.895 2.861 -2.892 0.00 0.00 O+0 HETATM 48 C UNK 0 -0.119 2.055 -0.969 0.00 0.00 C+0 HETATM 49 C UNK 0 -0.268 3.333 -0.266 0.00 0.00 C+0 HETATM 50 O UNK 0 0.319 3.482 0.812 0.00 0.00 O+0 HETATM 51 C UNK 0 -4.307 -3.524 0.400 0.00 0.00 C+0 HETATM 52 C UNK 0 -3.844 -4.917 0.118 0.00 0.00 C+0 HETATM 53 C UNK 0 -4.931 -2.940 -0.860 0.00 0.00 C+0 HETATM 54 C UNK 0 -5.383 -1.567 -0.502 0.00 0.00 C+0 HETATM 55 C UNK 0 -5.724 -0.786 -1.754 0.00 0.00 C+0 HETATM 56 H UNK 0 -1.126 7.488 -0.601 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.651 6.640 -2.161 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.084 7.501 -2.040 0.00 0.00 H+0 HETATM 59 H UNK 0 0.501 5.895 -0.159 0.00 0.00 H+0 HETATM 60 H UNK 0 0.614 5.367 -1.855 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.588 4.275 -1.676 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.512 5.659 1.124 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.160 5.168 1.229 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.791 6.231 1.864 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.474 6.439 0.194 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.020 3.027 -0.903 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.611 3.808 -0.869 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.763 3.195 1.611 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.057 1.560 2.489 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.301 2.972 1.760 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.352 1.479 0.790 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.642 1.353 -0.769 0.00 0.00 H+0 HETATM 73 H UNK 0 -6.030 2.123 0.008 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.406 0.091 0.895 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.660 -0.810 2.934 0.00 0.00 H+0 HETATM 76 H UNK 0 -7.003 0.919 2.747 0.00 0.00 H+0 HETATM 77 H UNK 0 -6.081 0.421 4.175 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.692 -0.311 -0.340 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.165 -2.994 -0.912 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.766 -5.993 -0.465 0.00 0.00 H+0 HETATM 81 H UNK 0 0.055 -4.872 -1.545 0.00 0.00 H+0 HETATM 82 H UNK 0 1.317 -6.888 -0.717 0.00 0.00 H+0 HETATM 83 H UNK 0 1.242 -6.181 0.954 0.00 0.00 H+0 HETATM 84 H UNK 0 3.251 -5.040 0.231 0.00 0.00 H+0 HETATM 85 H UNK 0 2.837 -5.369 -1.460 0.00 0.00 H+0 HETATM 86 H UNK 0 2.854 -3.018 -0.676 0.00 0.00 H+0 HETATM 87 H UNK 0 1.503 -3.480 -1.742 0.00 0.00 H+0 HETATM 88 H UNK 0 1.621 -3.173 1.280 0.00 0.00 H+0 HETATM 89 H UNK 0 2.218 -1.247 -2.139 0.00 0.00 H+0 HETATM 90 H UNK 0 3.490 0.521 1.413 0.00 0.00 H+0 HETATM 91 H UNK 0 3.644 1.911 0.340 0.00 0.00 H+0 HETATM 92 H UNK 0 2.024 1.357 0.824 0.00 0.00 H+0 HETATM 93 H UNK 0 4.321 -1.241 -1.670 0.00 0.00 H+0 HETATM 94 H UNK 0 5.348 0.625 0.609 0.00 0.00 H+0 HETATM 95 H UNK 0 6.931 -0.536 -1.689 0.00 0.00 H+0 HETATM 96 H UNK 0 6.172 1.143 -1.659 0.00 0.00 H+0 HETATM 97 H UNK 0 7.336 1.681 0.372 0.00 0.00 H+0 HETATM 98 H UNK 0 8.524 1.123 -0.831 0.00 0.00 H+0 HETATM 99 H UNK 0 8.759 -1.040 0.241 0.00 0.00 H+0 HETATM 100 H UNK 0 8.783 1.327 1.806 0.00 0.00 H+0 HETATM 101 H UNK 0 6.509 0.012 2.051 0.00 0.00 H+0 HETATM 102 H UNK 0 5.972 -1.240 3.836 0.00 0.00 H+0 HETATM 103 H UNK 0 7.352 -2.110 4.532 0.00 0.00 H+0 HETATM 104 H UNK 0 7.533 -0.385 4.066 0.00 0.00 H+0 HETATM 105 H UNK 0 5.261 -2.014 1.032 0.00 0.00 H+0 HETATM 106 H UNK 0 6.625 -1.959 -0.194 0.00 0.00 H+0 HETATM 107 H UNK 0 0.482 0.323 -2.838 0.00 0.00 H+0 HETATM 108 H UNK 0 2.240 0.045 -4.288 0.00 0.00 H+0 HETATM 109 H UNK 0 3.434 0.960 -3.212 0.00 0.00 H+0 HETATM 110 H UNK 0 2.109 1.798 -4.044 0.00 0.00 H+0 HETATM 111 H UNK 0 2.028 2.477 -1.237 0.00 0.00 H+0 HETATM 112 H UNK 0 0.150 2.400 -3.340 0.00 0.00 H+0 HETATM 113 H UNK 0 -0.106 1.228 -0.235 0.00 0.00 H+0 HETATM 114 H UNK 0 -0.971 1.832 -1.656 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.023 -3.451 1.226 0.00 0.00 H+0 HETATM 116 H UNK 0 -3.836 -5.491 1.055 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.646 -5.399 -0.515 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.910 -4.928 -0.449 0.00 0.00 H+0 HETATM 119 H UNK 0 -5.806 -3.558 -1.109 0.00 0.00 H+0 HETATM 120 H UNK 0 -4.168 -2.889 -1.659 0.00 0.00 H+0 HETATM 121 H UNK 0 -6.359 -1.658 0.060 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.462 0.004 -1.559 0.00 0.00 H+0 HETATM 123 H UNK 0 -4.841 -0.461 -2.322 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.250 -1.525 -2.427 0.00 0.00 H+0 CONECT 1 2 56 57 58 CONECT 2 1 3 59 60 CONECT 3 2 4 49 61 CONECT 4 3 5 62 CONECT 5 4 6 7 CONECT 6 5 63 64 65 CONECT 7 5 8 66 67 CONECT 8 7 9 10 68 CONECT 9 8 69 70 71 CONECT 10 8 11 72 73 CONECT 11 10 12 14 74 CONECT 12 11 13 CONECT 13 12 75 76 77 CONECT 14 11 15 54 78 CONECT 15 14 16 CONECT 16 15 17 18 51 CONECT 17 16 79 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 27 CONECT 23 22 24 80 81 CONECT 24 23 25 82 83 CONECT 25 24 26 84 85 CONECT 26 25 27 86 87 CONECT 27 26 28 22 88 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 CONECT 31 30 32 44 89 CONECT 32 31 33 34 CONECT 33 32 90 91 92 CONECT 34 32 35 93 CONECT 35 34 36 43 94 CONECT 36 35 37 95 96 CONECT 37 36 38 97 98 CONECT 38 37 39 40 99 CONECT 39 38 100 CONECT 40 38 41 43 101 CONECT 41 40 42 CONECT 42 41 102 103 104 CONECT 43 40 35 105 106 CONECT 44 31 45 46 107 CONECT 45 44 108 109 110 CONECT 46 44 47 48 111 CONECT 47 46 112 CONECT 48 46 49 113 114 CONECT 49 48 50 3 CONECT 50 49 CONECT 51 16 52 53 115 CONECT 52 51 116 117 118 CONECT 53 51 54 119 120 CONECT 54 53 55 14 121 CONECT 55 54 122 123 124 CONECT 56 1 CONECT 57 1 CONECT 58 1 CONECT 59 2 CONECT 60 2 CONECT 61 3 CONECT 62 4 CONECT 63 6 CONECT 64 6 CONECT 65 6 CONECT 66 7 CONECT 67 7 CONECT 68 8 CONECT 69 9 CONECT 70 9 CONECT 71 9 CONECT 72 10 CONECT 73 10 CONECT 74 11 CONECT 75 13 CONECT 76 13 CONECT 77 13 CONECT 78 14 CONECT 79 17 CONECT 80 23 CONECT 81 23 CONECT 82 24 CONECT 83 24 CONECT 84 25 CONECT 85 25 CONECT 86 26 CONECT 87 26 CONECT 88 27 CONECT 89 31 CONECT 90 33 CONECT 91 33 CONECT 92 33 CONECT 93 34 CONECT 94 35 CONECT 95 36 CONECT 96 36 CONECT 97 37 CONECT 98 37 CONECT 99 38 CONECT 100 39 CONECT 101 40 CONECT 102 42 CONECT 103 42 CONECT 104 42 CONECT 105 43 CONECT 106 43 CONECT 107 44 CONECT 108 45 CONECT 109 45 CONECT 110 45 CONECT 111 46 CONECT 112 47 CONECT 113 48 CONECT 114 48 CONECT 115 51 CONECT 116 52 CONECT 117 52 CONECT 118 52 CONECT 119 53 CONECT 120 53 CONECT 121 54 CONECT 122 55 CONECT 123 55 CONECT 124 55 MASTER 0 0 0 0 0 0 0 0 124 0 254 0 END