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 -4.857 -5.396 1.147 0.00 0.00 C+0 HETATM 2 S UNK 0 -3.616 -6.557 0.525 0.00 0.00 S+0 HETATM 3 C UNK 0 -2.139 -5.568 -0.009 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.499 -4.935 1.159 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.311 -4.086 1.006 0.00 0.00 C+0 HETATM 6 N UNK 0 0.103 -3.726 2.403 0.00 0.00 N+0 HETATM 7 C UNK 0 1.141 -4.415 3.071 0.00 0.00 C+0 HETATM 8 O UNK 0 1.792 -5.367 2.521 0.00 0.00 O+0 HETATM 9 N UNK 0 1.516 -4.094 4.380 0.00 0.00 N+0 HETATM 10 C UNK 0 2.531 -4.716 5.167 0.00 0.00 C+0 HETATM 11 C UNK 0 3.446 -3.675 5.765 0.00 0.00 C+0 HETATM 12 C UNK 0 2.702 -2.713 6.624 0.00 0.00 C+0 HETATM 13 C UNK 0 2.539 -2.983 7.962 0.00 0.00 C+0 HETATM 14 C UNK 0 1.841 -2.066 8.719 0.00 0.00 C+0 HETATM 15 C UNK 0 1.332 -0.927 8.148 0.00 0.00 C+0 HETATM 16 C UNK 0 1.510 -0.678 6.805 0.00 0.00 C+0 HETATM 17 O UNK 0 0.976 0.492 6.272 0.00 0.00 O+0 HETATM 18 C UNK 0 2.194 -1.564 6.035 0.00 0.00 C+0 HETATM 19 C UNK 0 1.950 -5.535 6.261 0.00 0.00 C+0 HETATM 20 O UNK 0 0.687 -5.586 6.397 0.00 0.00 O+0 HETATM 21 O UNK 0 2.692 -6.256 7.154 0.00 0.00 O+0 HETATM 22 C UNK 0 -0.342 -2.849 0.264 0.00 0.00 C+0 HETATM 23 O UNK 0 0.691 -2.087 0.435 0.00 0.00 O+0 HETATM 24 N UNK 0 -1.297 -2.338 -0.598 0.00 0.00 N+0 HETATM 25 C UNK 0 -1.190 -1.052 -1.312 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.378 -1.197 -2.763 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.304 -1.942 -3.168 0.00 0.00 O+0 HETATM 28 N UNK 0 -0.572 -0.550 -3.733 0.00 0.00 N+0 HETATM 29 C UNK 0 -0.814 -0.727 -5.107 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.077 -0.157 -6.039 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.182 -0.222 -7.519 0.00 0.00 C+0 HETATM 32 C UNK 0 1.132 0.382 -7.998 0.00 0.00 C+0 HETATM 33 O UNK 0 1.667 -0.466 -8.938 0.00 0.00 O+0 HETATM 34 C UNK 0 2.006 0.387 -6.759 0.00 0.00 C+0 HETATM 35 N UNK 0 3.007 1.393 -6.709 0.00 0.00 N+0 HETATM 36 C UNK 0 2.737 2.782 -6.896 0.00 0.00 C+0 HETATM 37 C UNK 0 3.684 3.680 -6.136 0.00 0.00 C+0 HETATM 38 C UNK 0 5.059 3.209 -6.059 0.00 0.00 C+0 HETATM 39 O UNK 0 5.996 4.035 -5.939 0.00 0.00 O+0 HETATM 40 N UNK 0 5.369 1.834 -6.117 0.00 0.00 N+0 HETATM 41 C UNK 0 4.356 0.913 -6.440 0.00 0.00 C+0 HETATM 42 O UNK 0 4.604 -0.315 -6.499 0.00 0.00 O+0 HETATM 43 O UNK 0 1.021 0.669 -5.731 0.00 0.00 O+0 HETATM 44 C UNK 0 -2.139 -0.057 -0.749 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.593 -0.532 -0.741 0.00 0.00 C+0 HETATM 46 N UNK 0 -1.785 0.646 0.426 0.00 0.00 N+0 HETATM 47 C UNK 0 -1.466 -0.001 1.674 0.00 0.00 C+0 HETATM 48 C UNK 0 -1.752 2.078 0.399 0.00 0.00 C+0 HETATM 49 O UNK 0 -2.210 2.604 -0.666 0.00 0.00 O+0 HETATM 50 C UNK 0 -1.235 2.904 1.498 0.00 0.00 C+0 HETATM 51 C UNK 0 0.138 3.457 1.033 0.00 0.00 C+0 HETATM 52 C UNK 0 -0.148 4.232 -0.208 0.00 0.00 C+0 HETATM 53 C UNK 0 0.670 4.153 -1.295 0.00 0.00 C+0 HETATM 54 C UNK 0 0.400 4.875 -2.453 0.00 0.00 C+0 HETATM 55 O UNK 0 1.244 4.794 -3.579 0.00 0.00 O+0 HETATM 56 C UNK 0 -0.716 5.673 -2.471 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.560 5.753 -1.347 0.00 0.00 C+0 HETATM 58 C UNK 0 -1.283 5.036 -0.211 0.00 0.00 C+0 HETATM 59 C UNK 0 -2.178 5.097 0.961 0.00 0.00 C+0 HETATM 60 C UNK 0 -1.909 6.465 1.607 0.00 0.00 C+0 HETATM 61 N UNK 0 -1.999 4.033 1.875 0.00 0.00 N+0 HETATM 62 H UNK 0 -5.736 -5.394 0.436 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.179 -5.660 2.173 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.451 -4.369 1.088 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.549 -4.861 -0.718 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.417 -6.288 -0.487 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.309 -4.359 1.741 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.306 -5.786 1.900 0.00 0.00 H+0 HETATM 69 H UNK 0 0.530 -4.782 0.679 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.387 -2.956 2.880 0.00 0.00 H+0 HETATM 71 H UNK 0 0.990 -3.308 4.841 0.00 0.00 H+0 HETATM 72 H UNK 0 3.159 -5.419 4.577 0.00 0.00 H+0 HETATM 73 H UNK 0 4.293 -4.121 6.333 0.00 0.00 H+0 HETATM 74 H UNK 0 3.921 -3.083 4.954 0.00 0.00 H+0 HETATM 75 H UNK 0 2.936 -3.874 8.413 0.00 0.00 H+0 HETATM 76 H UNK 0 1.714 -2.286 9.791 0.00 0.00 H+0 HETATM 77 H UNK 0 0.789 -0.223 8.756 0.00 0.00 H+0 HETATM 78 H UNK 0 1.074 0.728 5.286 0.00 0.00 H+0 HETATM 79 H UNK 0 2.336 -1.361 4.975 0.00 0.00 H+0 HETATM 80 H UNK 0 2.308 -7.059 7.649 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.186 -2.822 -0.793 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.163 -0.617 -1.132 0.00 0.00 H+0 HETATM 83 H UNK 0 0.211 0.066 -3.422 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.649 -1.364 -5.425 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.269 -1.291 -7.862 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.042 0.322 -7.920 0.00 0.00 H+0 HETATM 87 H UNK 0 0.986 1.365 -8.435 0.00 0.00 H+0 HETATM 88 H UNK 0 2.154 -0.018 -9.650 0.00 0.00 H+0 HETATM 89 H UNK 0 2.403 -0.641 -6.565 0.00 0.00 H+0 HETATM 90 H UNK 0 1.718 3.003 -6.526 0.00 0.00 H+0 HETATM 91 H UNK 0 2.865 3.008 -7.994 0.00 0.00 H+0 HETATM 92 H UNK 0 3.338 3.926 -5.114 0.00 0.00 H+0 HETATM 93 H UNK 0 3.714 4.673 -6.672 0.00 0.00 H+0 HETATM 94 H UNK 0 6.338 1.464 -5.926 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.226 0.773 -1.566 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.901 -0.829 -1.740 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.631 -1.387 -0.021 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.229 0.319 -0.419 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.995 -0.977 1.682 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.402 -0.068 1.913 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.923 0.543 2.558 0.00 0.00 H+0 HETATM 102 H UNK 0 -1.008 2.312 2.388 0.00 0.00 H+0 HETATM 103 H UNK 0 0.820 2.611 0.881 0.00 0.00 H+0 HETATM 104 H UNK 0 0.528 4.137 1.790 0.00 0.00 H+0 HETATM 105 H UNK 0 1.570 3.517 -1.303 0.00 0.00 H+0 HETATM 106 H UNK 0 0.991 4.053 -4.245 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.923 6.230 -3.376 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.423 6.395 -1.422 0.00 0.00 H+0 HETATM 109 H UNK 0 -3.263 5.151 0.680 0.00 0.00 H+0 HETATM 110 H UNK 0 -2.647 6.529 2.462 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.914 6.531 2.061 0.00 0.00 H+0 HETATM 112 H UNK 0 -2.159 7.264 0.891 0.00 0.00 H+0 HETATM 113 H UNK 0 -1.719 4.429 2.809 0.00 0.00 H+0 CONECT 1 2 62 63 64 CONECT 2 1 3 CONECT 3 2 4 65 66 CONECT 4 3 5 67 68 CONECT 5 4 6 22 69 CONECT 6 5 7 70 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 71 CONECT 10 9 11 19 72 CONECT 11 10 12 73 74 CONECT 12 11 13 18 CONECT 13 12 14 75 CONECT 14 13 15 76 CONECT 15 14 16 77 CONECT 16 15 17 18 CONECT 17 16 78 CONECT 18 16 12 79 CONECT 19 10 20 21 CONECT 20 19 CONECT 21 19 80 CONECT 22 5 23 24 CONECT 23 22 CONECT 24 22 25 81 CONECT 25 24 26 44 82 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 83 CONECT 29 28 30 84 CONECT 30 29 31 43 CONECT 31 30 32 85 86 CONECT 32 31 33 34 87 CONECT 33 32 88 CONECT 34 32 35 43 89 CONECT 35 34 36 41 CONECT 36 35 37 90 91 CONECT 37 36 38 92 93 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 94 CONECT 41 40 42 35 CONECT 42 41 CONECT 43 34 30 CONECT 44 25 45 46 95 CONECT 45 44 96 97 98 CONECT 46 44 47 48 CONECT 47 46 99 100 101 CONECT 48 46 49 50 CONECT 49 48 CONECT 50 48 51 61 102 CONECT 51 50 52 103 104 CONECT 52 51 53 58 CONECT 53 52 54 105 CONECT 54 53 55 56 CONECT 55 54 106 CONECT 56 54 57 107 CONECT 57 56 58 108 CONECT 58 57 59 52 CONECT 59 58 60 61 109 CONECT 60 59 110 111 112 CONECT 61 59 50 113 CONECT 62 1 CONECT 63 1 CONECT 64 1 CONECT 65 3 CONECT 66 3 CONECT 67 4 CONECT 68 4 CONECT 69 5 CONECT 70 6 CONECT 71 9 CONECT 72 10 CONECT 73 11 CONECT 74 11 CONECT 75 13 CONECT 76 14 CONECT 77 15 CONECT 78 17 CONECT 79 18 CONECT 80 21 CONECT 81 24 CONECT 82 25 CONECT 83 28 CONECT 84 29 CONECT 85 31 CONECT 86 31 CONECT 87 32 CONECT 88 33 CONECT 89 34 CONECT 90 36 CONECT 91 36 CONECT 92 37 CONECT 93 37 CONECT 94 40 CONECT 95 44 CONECT 96 45 CONECT 97 45 CONECT 98 45 CONECT 99 47 CONECT 100 47 CONECT 101 47 CONECT 102 50 CONECT 103 51 CONECT 104 51 CONECT 105 53 CONECT 106 55 CONECT 107 56 CONECT 108 57 CONECT 109 59 CONECT 110 60 CONECT 111 60 CONECT 112 60 CONECT 113 61 MASTER 0 0 0 0 0 0 0 0 113 0 234 0 END