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 -2.115 -6.116 -2.246 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.788 -5.100 -3.082 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.916 -3.850 -2.683 0.00 0.00 C+0 HETATM 4 N UNK 0 -3.585 -2.952 -3.572 0.00 0.00 N+0 HETATM 5 C UNK 0 -4.847 -2.991 -3.623 0.00 0.00 C+0 HETATM 6 S UNK 0 -6.320 -3.326 -4.215 0.00 0.00 S+0 HETATM 7 C UNK 0 -2.407 -3.391 -1.422 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.803 -4.129 -0.612 0.00 0.00 O+0 HETATM 9 O UNK 0 -2.581 -2.065 -1.056 0.00 0.00 O+0 HETATM 10 C UNK 0 -2.101 -1.529 0.187 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.195 -0.358 -0.017 0.00 0.00 C+0 HETATM 12 O UNK 0 -0.165 -0.543 -0.915 0.00 0.00 O+0 HETATM 13 C UNK 0 1.085 -0.373 -0.364 0.00 0.00 C+0 HETATM 14 C UNK 0 1.894 -1.622 -0.630 0.00 0.00 C+0 HETATM 15 C UNK 0 3.375 -1.242 -0.820 0.00 0.00 C+0 HETATM 16 O UNK 0 4.194 -2.331 -0.731 0.00 0.00 O+0 HETATM 17 C UNK 0 4.874 -2.469 -1.952 0.00 0.00 C+0 HETATM 18 C UNK 0 3.620 -0.163 0.209 0.00 0.00 C+0 HETATM 19 O UNK 0 3.080 -0.670 1.420 0.00 0.00 O+0 HETATM 20 C UNK 0 5.050 0.115 0.504 0.00 0.00 C+0 HETATM 21 C UNK 0 5.765 -1.105 1.040 0.00 0.00 C+0 HETATM 22 O UNK 0 5.809 0.649 -0.550 0.00 0.00 O+0 HETATM 23 C UNK 0 6.423 1.907 -0.464 0.00 0.00 C+0 HETATM 24 O UNK 0 6.248 2.523 0.613 0.00 0.00 O+0 HETATM 25 C UNK 0 7.231 2.520 -1.526 0.00 0.00 C+0 HETATM 26 C UNK 0 8.395 1.608 -1.891 0.00 0.00 C+0 HETATM 27 C UNK 0 6.456 2.992 -2.719 0.00 0.00 C+0 HETATM 28 C UNK 0 5.465 4.034 -2.255 0.00 0.00 C+0 HETATM 29 C UNK 0 2.892 1.059 -0.272 0.00 0.00 C+0 HETATM 30 C UNK 0 2.696 2.105 0.811 0.00 0.00 C+0 HETATM 31 O UNK 0 1.692 0.755 -0.908 0.00 0.00 O+0 HETATM 32 C UNK 0 -1.960 0.883 -0.445 0.00 0.00 C+0 HETATM 33 O UNK 0 -1.829 1.123 -1.809 0.00 0.00 O+0 HETATM 34 C UNK 0 -3.429 0.709 -0.148 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.261 1.922 -0.217 0.00 0.00 C+0 HETATM 36 O UNK 0 -4.154 2.484 -1.510 0.00 0.00 O+0 HETATM 37 C UNK 0 -5.736 1.445 -0.178 0.00 0.00 C+0 HETATM 38 C UNK 0 -6.131 1.206 1.217 0.00 0.00 C+0 HETATM 39 O UNK 0 -6.663 0.143 1.559 0.00 0.00 O+0 HETATM 40 C UNK 0 -5.875 2.271 2.202 0.00 0.00 C+0 HETATM 41 N UNK 0 -6.611 2.373 3.241 0.00 0.00 N+0 HETATM 42 C UNK 0 -4.743 3.164 1.891 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.400 4.256 2.780 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.438 5.011 2.489 0.00 0.00 O+0 HETATM 45 O UNK 0 -5.066 4.528 3.942 0.00 0.00 O+0 HETATM 46 C UNK 0 -4.028 2.966 0.766 0.00 0.00 C+0 HETATM 47 O UNK 0 -2.985 3.848 0.544 0.00 0.00 O+0 HETATM 48 O UNK 0 -3.497 0.157 1.126 0.00 0.00 O+0 HETATM 49 C UNK 0 -3.337 -1.209 0.972 0.00 0.00 C+0 HETATM 50 C UNK 0 -3.268 -1.913 2.316 0.00 0.00 C+0 HETATM 51 O UNK 0 -4.478 -1.647 2.997 0.00 0.00 O+0 HETATM 52 C UNK 0 -4.658 -2.174 4.256 0.00 0.00 C+0 HETATM 53 C UNK 0 -5.885 -1.946 5.029 0.00 0.00 C+0 HETATM 54 O UNK 0 -3.737 -2.876 4.759 0.00 0.00 O+0 HETATM 55 H UNK 0 -1.050 -5.891 -2.140 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.627 -6.246 -1.257 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.177 -7.114 -2.732 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.191 -5.399 -4.063 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.596 -2.371 0.691 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.735 -0.116 0.963 0.00 0.00 H+0 HETATM 61 H UNK 0 0.933 -0.146 0.704 0.00 0.00 H+0 HETATM 62 H UNK 0 1.579 -2.015 -1.635 0.00 0.00 H+0 HETATM 63 H UNK 0 1.757 -2.404 0.115 0.00 0.00 H+0 HETATM 64 H UNK 0 3.459 -0.760 -1.810 0.00 0.00 H+0 HETATM 65 H UNK 0 4.147 -2.611 -2.804 0.00 0.00 H+0 HETATM 66 H UNK 0 5.479 -3.406 -1.928 0.00 0.00 H+0 HETATM 67 H UNK 0 5.474 -1.574 -2.199 0.00 0.00 H+0 HETATM 68 H UNK 0 3.616 -0.429 2.193 0.00 0.00 H+0 HETATM 69 H UNK 0 5.054 0.876 1.333 0.00 0.00 H+0 HETATM 70 H UNK 0 6.458 -1.539 0.276 0.00 0.00 H+0 HETATM 71 H UNK 0 5.066 -1.844 1.462 0.00 0.00 H+0 HETATM 72 H UNK 0 6.433 -0.772 1.860 0.00 0.00 H+0 HETATM 73 H UNK 0 7.735 3.440 -1.097 0.00 0.00 H+0 HETATM 74 H UNK 0 8.507 0.839 -1.079 0.00 0.00 H+0 HETATM 75 H UNK 0 9.367 2.149 -1.930 0.00 0.00 H+0 HETATM 76 H UNK 0 8.205 1.046 -2.829 0.00 0.00 H+0 HETATM 77 H UNK 0 7.209 3.509 -3.385 0.00 0.00 H+0 HETATM 78 H UNK 0 6.002 2.179 -3.302 0.00 0.00 H+0 HETATM 79 H UNK 0 4.686 3.513 -1.665 0.00 0.00 H+0 HETATM 80 H UNK 0 6.028 4.672 -1.527 0.00 0.00 H+0 HETATM 81 H UNK 0 5.058 4.640 -3.090 0.00 0.00 H+0 HETATM 82 H UNK 0 3.533 1.521 -1.052 0.00 0.00 H+0 HETATM 83 H UNK 0 2.674 1.576 1.784 0.00 0.00 H+0 HETATM 84 H UNK 0 3.525 2.838 0.851 0.00 0.00 H+0 HETATM 85 H UNK 0 1.761 2.688 0.639 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.607 1.777 0.094 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.763 0.254 -2.275 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.805 -0.041 -0.908 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.670 3.324 -1.519 0.00 0.00 H+0 HETATM 90 H UNK 0 -5.766 0.469 -0.718 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.382 2.205 -0.629 0.00 0.00 H+0 HETATM 92 H UNK 0 -6.624 2.995 4.021 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.452 5.407 4.240 0.00 0.00 H+0 HETATM 94 H UNK 0 -2.108 3.881 1.007 0.00 0.00 H+0 HETATM 95 H UNK 0 -4.286 -1.578 0.498 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.197 -3.011 2.181 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.371 -1.586 2.880 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.742 -1.016 5.623 0.00 0.00 H+0 HETATM 99 H UNK 0 -6.056 -2.770 5.738 0.00 0.00 H+0 HETATM 100 H UNK 0 -6.792 -1.829 4.379 0.00 0.00 H+0 CONECT 1 2 55 56 57 CONECT 2 1 3 58 CONECT 3 2 4 7 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 CONECT 7 3 8 9 CONECT 8 7 CONECT 9 7 10 CONECT 10 9 11 49 59 CONECT 11 10 12 32 60 CONECT 12 11 13 CONECT 13 12 14 31 61 CONECT 14 13 15 62 63 CONECT 15 14 16 18 64 CONECT 16 15 17 CONECT 17 16 65 66 67 CONECT 18 15 19 20 29 CONECT 19 18 68 CONECT 20 18 21 22 69 CONECT 21 20 70 71 72 CONECT 22 20 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 27 73 CONECT 26 25 74 75 76 CONECT 27 25 28 77 78 CONECT 28 27 79 80 81 CONECT 29 18 30 31 82 CONECT 30 29 83 84 85 CONECT 31 29 13 CONECT 32 11 33 34 86 CONECT 33 32 87 CONECT 34 32 35 48 88 CONECT 35 34 36 37 46 CONECT 36 35 89 CONECT 37 35 38 90 91 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 42 CONECT 41 40 92 CONECT 42 40 43 46 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 93 CONECT 46 42 47 35 CONECT 47 46 94 CONECT 48 34 49 CONECT 49 48 50 10 95 CONECT 50 49 51 96 97 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 98 99 100 CONECT 54 52 CONECT 55 1 CONECT 56 1 CONECT 57 1 CONECT 58 2 CONECT 59 10 CONECT 60 11 CONECT 61 13 CONECT 62 14 CONECT 63 14 CONECT 64 15 CONECT 65 17 CONECT 66 17 CONECT 67 17 CONECT 68 19 CONECT 69 20 CONECT 70 21 CONECT 71 21 CONECT 72 21 CONECT 73 25 CONECT 74 26 CONECT 75 26 CONECT 76 26 CONECT 77 27 CONECT 78 27 CONECT 79 28 CONECT 80 28 CONECT 81 28 CONECT 82 29 CONECT 83 30 CONECT 84 30 CONECT 85 30 CONECT 86 32 CONECT 87 33 CONECT 88 34 CONECT 89 36 CONECT 90 37 CONECT 91 37 CONECT 92 41 CONECT 93 45 CONECT 94 47 CONECT 95 49 CONECT 96 50 CONECT 97 50 CONECT 98 53 CONECT 99 53 CONECT 100 53 MASTER 0 0 0 0 0 0 0 0 100 0 204 0 END