HEADER PROTEIN 09-JAN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 09-JAN-21 0 HETATM 1 N S 1 -5.762 2.831 0.000 0.00 0.00 N+0 HETATM 2 C S 1 -4.535 1.959 0.000 0.00 0.00 C+0 HETATM 3 O S 1 -3.237 4.304 0.000 0.00 0.00 O+0 HETATM 4 C S 1 -3.244 2.804 0.000 0.00 0.00 C+0 HETATM 5 C S 1 -4.534 0.454 0.000 0.00 0.00 C+0 HETATM 6 O S 1 -3.189 -0.292 0.000 0.00 0.00 O+0 HETATM 7 N UNK 0 -18.823 1.297 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 -17.606 2.159 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -16.416 -1.040 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 -16.412 0.725 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -17.608 3.669 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -20.028 2.450 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -19.279 3.912 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 -14.581 2.350 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 -13.285 1.556 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 -11.987 3.901 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 -11.994 2.401 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -13.353 -0.027 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 -11.914 -2.200 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 -10.433 -2.641 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 -9.536 -1.426 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 -10.463 -0.223 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -11.932 -0.698 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 -9.789 1.651 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 -8.620 2.768 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.322 0.423 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -7.329 1.933 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.620 4.273 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.760 4.698 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.277 5.035 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 -4.960 5.979 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 -7.413 6.520 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.983 7.105 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.800 8.595 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.036 9.489 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.466 8.905 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -8.660 7.425 0.000 0.00 0.00 C+0 HETATM 38 N UNK 0 -1.657 2.799 0.000 0.00 0.00 N+0 HETATM 39 C UNK 0 -0.430 3.662 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 0.868 1.317 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 0.930 2.826 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.429 5.166 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 0.913 7.421 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 0.913 5.928 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 2.267 5.172 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 3.611 5.928 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 3.611 7.421 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 2.267 8.167 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 4.956 8.167 0.000 0.00 0.00 O+0 HETATM 50 N UNK 0 2.938 3.361 0.000 0.00 0.00 N+0 HETATM 51 C UNK 0 4.735 2.283 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 6.033 4.628 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 6.026 3.128 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 4.736 0.778 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 6.081 0.032 0.000 0.00 0.00 O+0 HETATM 56 N UNK 0 7.672 3.124 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 8.899 3.986 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 9.932 1.808 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 10.082 2.915 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 8.900 5.490 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 10.244 6.246 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 10.245 7.739 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 11.736 5.548 0.000 0.00 0.00 C+0 HETATM 64 N UNK 0 15.940 -2.392 0.000 0.00 0.00 N+0 HETATM 65 C UNK 0 17.295 -3.187 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 17.295 -4.680 0.000 0.00 0.00 N+0 HETATM 67 N UNK 0 18.638 -2.440 0.000 0.00 0.00 N+0 HETATM 68 N UNK 0 12.071 3.508 0.000 0.00 0.00 N+0 HETATM 69 C UNK 0 13.357 2.126 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 15.186 4.608 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 15.179 3.108 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 13.260 0.552 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 14.604 -0.193 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 14.605 -1.696 0.000 0.00 0.00 C+0 HETATM 75 O UNK 0 -21.624 2.030 0.000 0.00 0.00 O+0 HETATM 76 C UNK 0 6.069 -1.496 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 4.979 -2.576 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 7.395 -2.262 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 6.059 -3.018 0.000 0.00 0.00 C+0 HETATM 80 N UNK 0 16.769 2.974 0.000 0.00 0.00 N+0 HETATM 81 C UNK 0 18.192 2.502 0.000 0.00 0.00 C+0 HETATM 82 O UNK 0 17.082 0.062 0.000 0.00 0.00 O+0 HETATM 83 C UNK 0 18.290 0.967 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 19.404 3.403 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 16.978 4.629 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 18.604 4.890 0.000 0.00 0.00 C+0 HETATM 87 N UNK 0 19.768 0.576 0.000 0.00 0.00 N+0 HETATM 88 C UNK 0 20.161 -0.887 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 21.624 -1.280 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 0.579 -8.115 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 2.524 -8.115 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 3.496 -6.431 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 3.898 -9.489 0.000 0.00 0.00 O+0 CONECT 1 2 27 CONECT 2 1 4 5 CONECT 3 4 CONECT 4 2 3 38 CONECT 5 2 6 CONECT 6 5 CONECT 7 12 8 CONECT 8 7 10 11 CONECT 9 10 CONECT 10 14 8 9 CONECT 11 13 8 CONECT 12 13 7 75 CONECT 13 12 11 CONECT 14 15 10 CONECT 15 14 17 18 CONECT 16 17 CONECT 17 24 15 16 CONECT 18 15 23 CONECT 19 20 23 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 18 22 19 CONECT 24 17 25 CONECT 25 24 27 28 CONECT 26 27 CONECT 27 1 25 26 CONECT 28 25 30 CONECT 29 30 31 CONECT 30 28 29 32 CONECT 31 29 33 CONECT 32 30 33 37 CONECT 33 31 32 34 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 32 CONECT 38 4 39 CONECT 39 38 41 42 CONECT 40 41 CONECT 41 50 39 40 CONECT 42 39 44 CONECT 43 48 44 CONECT 44 42 43 45 CONECT 45 44 46 CONECT 46 47 45 CONECT 47 46 48 49 CONECT 48 47 43 CONECT 49 47 CONECT 50 51 41 CONECT 51 50 53 54 CONECT 52 53 CONECT 53 51 52 56 CONECT 54 51 55 CONECT 55 54 76 CONECT 56 57 53 CONECT 57 56 59 60 CONECT 58 59 CONECT 59 57 58 68 CONECT 60 57 61 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 CONECT 64 65 74 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 CONECT 68 59 69 CONECT 69 68 71 72 CONECT 70 71 CONECT 71 69 70 80 CONECT 72 69 73 CONECT 73 72 74 CONECT 74 73 64 CONECT 75 12 CONECT 76 55 77 78 79 CONECT 77 76 CONECT 78 76 CONECT 79 76 CONECT 80 81 85 71 CONECT 81 80 83 84 CONECT 82 83 CONECT 83 81 82 87 CONECT 84 81 86 CONECT 85 86 80 CONECT 86 85 84 CONECT 87 83 88 CONECT 88 87 89 CONECT 89 88 CONECT 90 91 CONECT 91 90 92 93 CONECT 92 91 CONECT 93 91 MASTER 0 0 0 0 0 0 0 0 93 0 194 0 END