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 19.020 1.837 -4.225 0.00 0.00 C+0 HETATM 2 C UNK 0 17.973 0.787 -4.047 0.00 0.00 C+0 HETATM 3 C UNK 0 16.789 1.121 -3.581 0.00 0.00 C+0 HETATM 4 C UNK 0 15.697 0.208 -3.359 0.00 0.00 C+0 HETATM 5 C UNK 0 14.552 0.672 -2.906 0.00 0.00 C+0 HETATM 6 C UNK 0 13.375 -0.152 -2.638 0.00 0.00 C+0 HETATM 7 C UNK 0 12.254 0.369 -2.221 0.00 0.00 C+0 HETATM 8 C UNK 0 11.046 -0.320 -1.919 0.00 0.00 C+0 HETATM 9 C UNK 0 9.975 0.366 -1.525 0.00 0.00 C+0 HETATM 10 C UNK 0 8.752 -0.333 -1.208 0.00 0.00 C+0 HETATM 11 C UNK 0 7.634 0.311 -0.845 0.00 0.00 C+0 HETATM 12 C UNK 0 6.428 -0.406 -0.521 0.00 0.00 C+0 HETATM 13 C UNK 0 5.268 0.073 -0.189 0.00 0.00 C+0 HETATM 14 C UNK 0 4.152 -0.691 0.111 0.00 0.00 C+0 HETATM 15 C UNK 0 2.955 -0.710 0.450 0.00 0.00 C+0 HETATM 16 C UNK 0 1.657 -0.768 0.816 0.00 0.00 C+0 HETATM 17 C UNK 0 0.857 0.222 1.183 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.506 -0.111 1.519 0.00 0.00 C+0 HETATM 19 O UNK 0 -0.948 -1.287 1.270 0.00 0.00 O+0 HETATM 20 N UNK 0 -1.362 0.792 2.129 0.00 0.00 N+0 HETATM 21 C UNK 0 -0.837 2.077 2.611 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.767 0.517 2.162 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.148 -0.853 2.226 0.00 0.00 C+0 HETATM 24 O UNK 0 -3.184 -1.315 3.449 0.00 0.00 O+0 HETATM 25 N UNK 0 -3.490 -1.819 1.272 0.00 0.00 N+0 HETATM 26 C UNK 0 -4.157 -1.782 -0.006 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.075 -2.014 -1.076 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.626 -2.040 -2.467 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.491 -2.288 -3.459 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.433 -0.861 -2.893 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.160 -2.909 -0.167 0.00 0.00 C+0 HETATM 32 O UNK 0 -4.739 -4.029 -0.530 0.00 0.00 O+0 HETATM 33 N UNK 0 -6.541 -2.740 0.071 0.00 0.00 N+0 HETATM 34 C UNK 0 -7.286 -1.617 -0.437 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.634 -1.900 -1.897 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.587 -1.487 0.264 0.00 0.00 C+0 HETATM 37 O UNK 0 -9.215 -2.586 0.457 0.00 0.00 O+0 HETATM 38 N UNK 0 -9.147 -0.266 0.712 0.00 0.00 N+0 HETATM 39 C UNK 0 -8.596 1.042 0.423 0.00 0.00 C+0 HETATM 40 C UNK 0 -9.597 1.672 -0.577 0.00 0.00 C+0 HETATM 41 C UNK 0 -8.729 1.881 1.638 0.00 0.00 C+0 HETATM 42 O UNK 0 -9.934 1.889 2.103 0.00 0.00 O+0 HETATM 43 N UNK 0 -7.753 2.624 2.294 0.00 0.00 N+0 HETATM 44 C UNK 0 -6.455 2.225 2.795 0.00 0.00 C+0 HETATM 45 C UNK 0 -6.785 1.598 4.167 0.00 0.00 C+0 HETATM 46 C UNK 0 -5.584 1.126 4.906 0.00 0.00 C+0 HETATM 47 C UNK 0 -4.693 2.277 5.195 0.00 0.00 C+0 HETATM 48 N UNK 0 -3.404 2.047 5.708 0.00 0.00 N+0 HETATM 49 O UNK 0 -5.087 3.481 4.985 0.00 0.00 O+0 HETATM 50 C UNK 0 -5.847 1.114 1.983 0.00 0.00 C+0 HETATM 51 O UNK 0 -6.421 -0.010 2.220 0.00 0.00 O+0 HETATM 52 O UNK 0 -4.850 1.339 1.144 0.00 0.00 O+0 HETATM 53 C UNK 0 -3.486 1.394 1.117 0.00 0.00 C+0 HETATM 54 C UNK 0 -2.860 1.407 -0.222 0.00 0.00 C+0 HETATM 55 H UNK 0 19.049 2.218 -5.263 0.00 0.00 H+0 HETATM 56 H UNK 0 18.757 2.672 -3.517 0.00 0.00 H+0 HETATM 57 H UNK 0 19.993 1.459 -3.874 0.00 0.00 H+0 HETATM 58 H UNK 0 18.178 -0.227 -4.304 0.00 0.00 H+0 HETATM 59 H UNK 0 16.652 2.188 -3.339 0.00 0.00 H+0 HETATM 60 H UNK 0 15.787 -0.837 -3.558 0.00 0.00 H+0 HETATM 61 H UNK 0 14.502 1.759 -2.715 0.00 0.00 H+0 HETATM 62 H UNK 0 13.438 -1.221 -2.797 0.00 0.00 H+0 HETATM 63 H UNK 0 12.271 1.485 -2.114 0.00 0.00 H+0 HETATM 64 H UNK 0 10.996 -1.393 -2.010 0.00 0.00 H+0 HETATM 65 H UNK 0 10.043 1.430 -1.446 0.00 0.00 H+0 HETATM 66 H UNK 0 8.709 -1.403 -1.260 0.00 0.00 H+0 HETATM 67 H UNK 0 7.712 1.386 -0.807 0.00 0.00 H+0 HETATM 68 H UNK 0 6.479 -1.526 -0.559 0.00 0.00 H+0 HETATM 69 H UNK 0 5.206 1.178 -0.152 0.00 0.00 H+0 HETATM 70 H UNK 0 4.304 -1.831 -0.279 0.00 0.00 H+0 HETATM 71 H UNK 0 3.273 -1.850 1.244 0.00 0.00 H+0 HETATM 72 H UNK 0 1.101 -1.765 0.802 0.00 0.00 H+0 HETATM 73 H UNK 0 1.214 1.217 1.212 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.424 2.657 1.751 0.00 0.00 H+0 HETATM 75 H UNK 0 0.046 1.892 3.288 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.572 2.656 3.189 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.122 1.117 3.077 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.202 -2.850 1.504 0.00 0.00 H+0 HETATM 79 H UNK 0 -4.670 -0.887 -0.272 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.681 -3.053 -0.882 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.253 -1.285 -1.022 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.305 -2.930 -2.553 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.602 -1.797 -3.048 0.00 0.00 H+0 HETATM 84 H UNK 0 -2.764 -1.697 -4.379 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.404 -3.348 -3.644 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.772 -0.038 -3.288 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.071 -0.443 -2.128 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.123 -1.181 -3.739 0.00 0.00 H+0 HETATM 89 H UNK 0 -7.089 -3.445 0.653 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.696 -0.677 -0.415 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.790 -2.400 -2.395 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.803 -0.918 -2.407 0.00 0.00 H+0 HETATM 93 H UNK 0 -8.516 -2.547 -1.949 0.00 0.00 H+0 HETATM 94 H UNK 0 -10.027 -0.283 1.301 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.595 1.049 0.001 0.00 0.00 H+0 HETATM 96 H UNK 0 -9.493 2.787 -0.552 0.00 0.00 H+0 HETATM 97 H UNK 0 -10.609 1.429 -0.144 0.00 0.00 H+0 HETATM 98 H UNK 0 -9.529 1.226 -1.564 0.00 0.00 H+0 HETATM 99 H UNK 0 -7.966 3.669 2.485 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.779 3.071 2.887 0.00 0.00 H+0 HETATM 101 H UNK 0 -7.403 2.288 4.760 0.00 0.00 H+0 HETATM 102 H UNK 0 -7.412 0.701 3.929 0.00 0.00 H+0 HETATM 103 H UNK 0 -5.873 0.697 5.915 0.00 0.00 H+0 HETATM 104 H UNK 0 -5.050 0.327 4.377 0.00 0.00 H+0 HETATM 105 H UNK 0 -2.628 2.741 5.586 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.201 1.164 6.232 0.00 0.00 H+0 HETATM 107 H UNK 0 -3.246 2.461 1.522 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.516 1.005 -1.017 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.617 2.450 -0.586 0.00 0.00 H+0 HETATM 110 H UNK 0 -1.880 0.897 -0.203 0.00 0.00 H+0 CONECT 1 2 55 56 57 CONECT 2 1 3 58 CONECT 3 2 4 59 CONECT 4 3 5 60 CONECT 5 4 6 61 CONECT 6 5 7 62 CONECT 7 6 8 63 CONECT 8 7 9 64 CONECT 9 8 10 65 CONECT 10 9 11 66 CONECT 11 10 12 67 CONECT 12 11 13 68 CONECT 13 12 14 69 CONECT 14 13 15 70 CONECT 15 14 16 71 CONECT 16 15 17 72 CONECT 17 16 18 73 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 CONECT 21 20 74 75 76 CONECT 22 20 23 53 77 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 78 CONECT 26 25 27 31 79 CONECT 27 26 28 80 81 CONECT 28 27 29 30 82 CONECT 29 28 83 84 85 CONECT 30 28 86 87 88 CONECT 31 26 32 33 CONECT 32 31 CONECT 33 31 34 89 CONECT 34 33 35 36 90 CONECT 35 34 91 92 93 CONECT 36 34 37 38 CONECT 37 36 CONECT 38 36 39 94 CONECT 39 38 40 41 95 CONECT 40 39 96 97 98 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 99 CONECT 44 43 45 50 100 CONECT 45 44 46 101 102 CONECT 46 45 47 103 104 CONECT 47 46 48 49 CONECT 48 47 105 106 CONECT 49 47 CONECT 50 44 51 52 CONECT 51 50 CONECT 52 50 53 CONECT 53 52 54 22 107 CONECT 54 53 108 109 110 CONECT 55 1 CONECT 56 1 CONECT 57 1 CONECT 58 2 CONECT 59 3 CONECT 60 4 CONECT 61 5 CONECT 62 6 CONECT 63 7 CONECT 64 8 CONECT 65 9 CONECT 66 10 CONECT 67 11 CONECT 68 12 CONECT 69 13 CONECT 70 14 CONECT 71 15 CONECT 72 16 CONECT 73 17 CONECT 74 21 CONECT 75 21 CONECT 76 21 CONECT 77 22 CONECT 78 25 CONECT 79 26 CONECT 80 27 CONECT 81 27 CONECT 82 28 CONECT 83 29 CONECT 84 29 CONECT 85 29 CONECT 86 30 CONECT 87 30 CONECT 88 30 CONECT 89 33 CONECT 90 34 CONECT 91 35 CONECT 92 35 CONECT 93 35 CONECT 94 38 CONECT 95 39 CONECT 96 40 CONECT 97 40 CONECT 98 40 CONECT 99 43 CONECT 100 44 CONECT 101 45 CONECT 102 45 CONECT 103 46 CONECT 104 46 CONECT 105 48 CONECT 106 48 CONECT 107 53 CONECT 108 54 CONECT 109 54 CONECT 110 54 MASTER 0 0 0 0 0 0 0 0 110 0 220 0 END