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 -7.219 3.967 1.111 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.366 2.928 1.025 0.00 0.00 C+0 HETATM 3 N UNK 0 -5.002 3.226 1.308 0.00 0.00 N+0 HETATM 4 C UNK 0 -3.873 3.005 0.479 0.00 0.00 C+0 HETATM 5 O UNK 0 -2.938 2.282 0.929 0.00 0.00 O+0 HETATM 6 C UNK 0 -3.672 3.549 -0.893 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.832 4.784 -0.748 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.658 5.735 0.141 0.00 0.00 C+0 HETATM 9 N UNK 0 -3.196 2.574 -1.831 0.00 0.00 N+0 HETATM 10 C UNK 0 -1.933 2.022 -1.991 0.00 0.00 C+0 HETATM 11 O UNK 0 -1.863 0.737 -1.957 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.631 2.681 -2.200 0.00 0.00 C+0 HETATM 13 N UNK 0 0.110 2.998 -1.007 0.00 0.00 N+0 HETATM 14 C UNK 0 0.624 2.212 -0.010 0.00 0.00 C+0 HETATM 15 O UNK 0 0.144 2.366 1.182 0.00 0.00 O+0 HETATM 16 C UNK 0 1.695 1.154 -0.039 0.00 0.00 C+0 HETATM 17 C UNK 0 2.557 1.225 -1.267 0.00 0.00 C+0 HETATM 18 C UNK 0 3.263 2.477 -1.486 0.00 0.00 C+0 HETATM 19 C UNK 0 2.865 3.425 -2.409 0.00 0.00 C+0 HETATM 20 N UNK 0 3.701 4.456 -2.376 0.00 0.00 N+0 HETATM 21 C UNK 0 4.640 4.204 -1.450 0.00 0.00 C+0 HETATM 22 C UNK 0 5.719 4.930 -1.030 0.00 0.00 C+0 HETATM 23 C UNK 0 6.566 4.462 -0.046 0.00 0.00 C+0 HETATM 24 C UNK 0 6.335 3.242 0.533 0.00 0.00 C+0 HETATM 25 C UNK 0 5.249 2.503 0.115 0.00 0.00 C+0 HETATM 26 O UNK 0 5.005 1.285 0.681 0.00 0.00 O+0 HETATM 27 C UNK 0 5.853 0.790 1.691 0.00 0.00 C+0 HETATM 28 C UNK 0 4.386 2.972 -0.881 0.00 0.00 C+0 HETATM 29 N UNK 0 0.976 -0.125 0.048 0.00 0.00 N+0 HETATM 30 C UNK 0 0.935 -1.090 1.012 0.00 0.00 C+0 HETATM 31 O UNK 0 -0.110 -1.112 1.789 0.00 0.00 O+0 HETATM 32 C UNK 0 1.898 -2.183 1.372 0.00 0.00 C+0 HETATM 33 C UNK 0 2.910 -2.482 0.336 0.00 0.00 C+0 HETATM 34 C UNK 0 3.874 -3.558 0.608 0.00 0.00 C+0 HETATM 35 C UNK 0 5.080 -3.361 1.288 0.00 0.00 C+0 HETATM 36 N UNK 0 5.737 -4.518 1.446 0.00 0.00 N+0 HETATM 37 C UNK 0 4.976 -5.465 0.877 0.00 0.00 C+0 HETATM 38 C UNK 0 5.196 -6.832 0.739 0.00 0.00 C+0 HETATM 39 C UNK 0 4.276 -7.617 0.085 0.00 0.00 C+0 HETATM 40 C UNK 0 3.126 -7.026 -0.435 0.00 0.00 C+0 HETATM 41 C UNK 0 2.897 -5.682 -0.306 0.00 0.00 C+0 HETATM 42 C UNK 0 3.825 -4.906 0.353 0.00 0.00 C+0 HETATM 43 N UNK 0 1.279 -3.270 2.057 0.00 0.00 N+0 HETATM 44 C UNK 0 0.603 -4.403 1.645 0.00 0.00 C+0 HETATM 45 O UNK 0 0.960 -5.491 2.264 0.00 0.00 O+0 HETATM 46 C UNK 0 -0.447 -4.547 0.625 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.742 -5.721 -0.070 0.00 0.00 C+0 HETATM 48 S UNK 0 -2.042 -5.213 -1.065 0.00 0.00 S+0 HETATM 49 C UNK 0 -2.131 -3.588 -0.556 0.00 0.00 C+0 HETATM 50 N UNK 0 -1.177 -3.524 0.333 0.00 0.00 N+0 HETATM 51 C UNK 0 -2.936 -2.363 -0.860 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.921 -2.272 -2.394 0.00 0.00 C+0 HETATM 53 N UNK 0 -4.297 -2.510 -0.383 0.00 0.00 N+0 HETATM 54 C UNK 0 -5.253 -1.496 -0.383 0.00 0.00 C+0 HETATM 55 O UNK 0 -6.406 -1.714 -0.894 0.00 0.00 O+0 HETATM 56 C UNK 0 -5.057 -0.106 0.182 0.00 0.00 C+0 HETATM 57 N UNK 0 -6.287 0.348 0.797 0.00 0.00 N+0 HETATM 58 C UNK 0 -6.956 -0.693 1.614 0.00 0.00 C+0 HETATM 59 C UNK 0 -6.903 1.609 0.688 0.00 0.00 C+0 HETATM 60 O UNK 0 -8.119 1.607 0.225 0.00 0.00 O+0 HETATM 61 H UNK 0 -8.256 3.777 0.904 0.00 0.00 H+0 HETATM 62 H UNK 0 -6.939 4.941 1.374 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.760 3.678 2.263 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.661 3.936 -1.304 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.610 5.327 -1.659 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.963 4.530 -0.104 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.717 5.726 -0.127 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.285 6.778 0.049 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.559 5.469 1.209 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.947 2.207 -2.517 0.00 0.00 H+0 HETATM 71 H UNK 0 0.053 2.028 -2.830 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.733 3.588 -2.848 0.00 0.00 H+0 HETATM 73 H UNK 0 0.285 4.067 -0.871 0.00 0.00 H+0 HETATM 74 H UNK 0 2.378 1.293 0.828 0.00 0.00 H+0 HETATM 75 H UNK 0 1.971 0.865 -2.143 0.00 0.00 H+0 HETATM 76 H UNK 0 3.371 0.432 -1.181 0.00 0.00 H+0 HETATM 77 H UNK 0 2.009 3.364 -3.078 0.00 0.00 H+0 HETATM 78 H UNK 0 3.656 5.321 -2.958 0.00 0.00 H+0 HETATM 79 H UNK 0 5.895 5.897 -1.492 0.00 0.00 H+0 HETATM 80 H UNK 0 7.399 5.092 0.237 0.00 0.00 H+0 HETATM 81 H UNK 0 7.027 2.900 1.308 0.00 0.00 H+0 HETATM 82 H UNK 0 6.863 0.545 1.320 0.00 0.00 H+0 HETATM 83 H UNK 0 5.976 1.619 2.438 0.00 0.00 H+0 HETATM 84 H UNK 0 5.415 -0.101 2.193 0.00 0.00 H+0 HETATM 85 H UNK 0 0.358 -0.275 -0.821 0.00 0.00 H+0 HETATM 86 H UNK 0 2.552 -1.592 2.170 0.00 0.00 H+0 HETATM 87 H UNK 0 3.513 -1.555 0.075 0.00 0.00 H+0 HETATM 88 H UNK 0 2.418 -2.744 -0.632 0.00 0.00 H+0 HETATM 89 H UNK 0 5.429 -2.392 1.636 0.00 0.00 H+0 HETATM 90 H UNK 0 6.656 -4.686 1.912 0.00 0.00 H+0 HETATM 91 H UNK 0 6.111 -7.259 1.163 0.00 0.00 H+0 HETATM 92 H UNK 0 4.471 -8.663 -0.006 0.00 0.00 H+0 HETATM 93 H UNK 0 2.436 -7.689 -0.942 0.00 0.00 H+0 HETATM 94 H UNK 0 2.014 -5.249 -0.721 0.00 0.00 H+0 HETATM 95 H UNK 0 1.358 -3.179 3.154 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.268 -6.705 0.003 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.453 -1.461 -0.485 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.707 -1.597 -2.767 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.166 -3.292 -2.782 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.897 -1.983 -2.677 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.603 -3.458 -0.004 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.707 0.527 -0.657 0.00 0.00 H+0 HETATM 103 H UNK 0 -4.287 -0.095 0.978 0.00 0.00 H+0 HETATM 104 H UNK 0 -6.622 -1.701 1.395 0.00 0.00 H+0 HETATM 105 H UNK 0 -8.053 -0.582 1.523 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.719 -0.536 2.707 0.00 0.00 H+0 CONECT 1 2 61 62 CONECT 2 1 3 59 CONECT 3 2 4 63 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 9 64 CONECT 7 6 8 65 66 CONECT 8 7 67 68 69 CONECT 9 6 10 70 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 71 72 CONECT 13 12 14 73 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 29 74 CONECT 17 16 18 75 76 CONECT 18 17 19 28 CONECT 19 18 20 77 CONECT 20 19 21 78 CONECT 21 20 22 28 CONECT 22 21 23 79 CONECT 23 22 24 80 CONECT 24 23 25 81 CONECT 25 24 26 28 CONECT 26 25 27 CONECT 27 26 82 83 84 CONECT 28 25 18 21 CONECT 29 16 30 85 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 43 86 CONECT 33 32 34 87 88 CONECT 34 33 35 42 CONECT 35 34 36 89 CONECT 36 35 37 90 CONECT 37 36 38 42 CONECT 38 37 39 91 CONECT 39 38 40 92 CONECT 40 39 41 93 CONECT 41 40 42 94 CONECT 42 41 34 37 CONECT 43 32 44 95 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 50 CONECT 47 46 48 96 CONECT 48 47 49 CONECT 49 48 50 51 CONECT 50 49 46 CONECT 51 49 52 53 97 CONECT 52 51 98 99 100 CONECT 53 51 54 101 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 102 103 CONECT 57 56 58 59 CONECT 58 57 104 105 106 CONECT 59 57 60 2 CONECT 60 59 CONECT 61 1 CONECT 62 1 CONECT 63 3 CONECT 64 6 CONECT 65 7 CONECT 66 7 CONECT 67 8 CONECT 68 8 CONECT 69 8 CONECT 70 9 CONECT 71 12 CONECT 72 12 CONECT 73 13 CONECT 74 16 CONECT 75 17 CONECT 76 17 CONECT 77 19 CONECT 78 20 CONECT 79 22 CONECT 80 23 CONECT 81 24 CONECT 82 27 CONECT 83 27 CONECT 84 27 CONECT 85 29 CONECT 86 32 CONECT 87 33 CONECT 88 33 CONECT 89 35 CONECT 90 36 CONECT 91 38 CONECT 92 39 CONECT 93 40 CONECT 94 41 CONECT 95 43 CONECT 96 47 CONECT 97 51 CONECT 98 52 CONECT 99 52 CONECT 100 52 CONECT 101 53 CONECT 102 56 CONECT 103 56 CONECT 104 58 CONECT 105 58 CONECT 106 58 MASTER 0 0 0 0 0 0 0 0 106 0 222 0 END