HEADER PROTEIN 10-MAR-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-MAR-20 0 HETATM 1 S UNK 0 -12.690 3.705 0.000 0.00 0.00 S+0 HETATM 2 O UNK 0 -11.218 3.705 0.000 0.00 0.00 O-1 HETATM 3 O UNK 0 -12.690 2.053 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 -12.690 5.146 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 -14.302 3.705 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 8.870 -7.297 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 10.139 -5.028 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 10.147 -6.575 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 8.740 -4.152 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 7.364 -6.697 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 7.294 -5.123 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 8.940 -8.750 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 7.843 -9.841 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 6.572 -9.179 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 11.193 -7.380 0.000 0.00 0.00 O+0 HETATM 16 N UNK 0 7.844 -11.292 0.000 0.00 0.00 N+0 HETATM 17 O UNK 0 5.982 -7.587 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 6.247 -4.406 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 4.726 -4.909 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 11.654 -2.909 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 12.261 -1.172 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 11.537 -0.074 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 13.780 -1.195 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 12.082 1.181 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 14.482 -0.081 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 13.710 1.157 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 14.333 -2.403 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 16.016 -0.058 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 14.076 2.123 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 15.549 2.832 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 9.418 -0.533 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -2.695 9.812 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 7.946 1.983 0.000 0.00 0.00 C+0 HETATM 34 N UNK 0 -5.313 9.937 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 -6.575 9.049 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.066 9.049 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 2.407 1.983 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 3.903 2.637 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 1.161 4.296 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 7.946 0.425 0.000 0.00 0.00 C+0 HETATM 41 N UNK 0 -1.480 9.002 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 1.161 2.637 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 3.903 4.296 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 5.196 1.983 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 9.387 9.080 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 9.387 2.637 0.000 0.00 0.00 C+0 HETATM 47 N UNK 0 6.676 2.637 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 2.407 5.091 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 7.946 9.812 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 6.676 9.080 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 9.387 7.405 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 6.995 -0.253 0.000 0.00 0.00 C+0 HETATM 53 S UNK 0 -4.066 7.818 0.000 0.00 0.00 S+0 HETATM 54 C UNK 0 -6.575 7.818 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 9.387 4.296 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 -0.311 9.937 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -2.695 10.941 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -7.782 9.578 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 4.549 -0.253 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 5.196 9.812 0.000 0.00 0.00 C+0 HETATM 61 S UNK 0 -0.311 10.941 0.000 0.00 0.00 S+0 HETATM 62 C UNK 0 -1.644 2.637 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 10.812 6.719 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -2.968 -2.769 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -0.210 1.936 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -1.644 -2.068 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 10.812 5.091 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -1.644 4.296 0.000 0.00 0.00 C+0 HETATM 69 N UNK 0 5.757 -2.286 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 4.549 -1.421 0.000 0.00 0.00 C+0 HETATM 71 N UNK 0 -0.210 0.316 0.000 0.00 0.00 N+0 HETATM 72 C UNK 0 6.995 -1.421 0.000 0.00 0.00 C+0 HETATM 73 S UNK 0 -14.661 8.854 0.000 0.00 0.00 S+1 HETATM 74 O UNK 0 10.602 9.937 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 10.696 1.936 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 5.196 0.635 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 -1.644 -0.432 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 1.161 9.080 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 -7.782 11.292 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 5.196 11.152 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 -2.968 -4.350 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 6.676 7.584 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 -0.662 4.990 0.000 0.00 0.00 O+0 HETATM 84 N UNK 0 2.407 6.517 0.000 0.00 0.00 N+0 HETATM 85 N UNK 0 3.903 9.080 0.000 0.00 0.00 N+0 HETATM 86 N UNK 0 -9.176 8.799 0.000 0.00 0.00 N+0 HETATM 87 N UNK 0 -4.432 -1.927 0.000 0.00 0.00 N+0 HETATM 88 N UNK 0 -0.210 -2.769 0.000 0.00 0.00 N+0 HETATM 89 N UNK 0 -3.054 5.239 0.000 0.00 0.00 N+0 HETATM 90 C UNK 0 2.407 9.812 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 12.082 7.405 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 5.196 5.091 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 9.387 6.236 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 7.946 6.828 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 -13.274 9.625 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 -11.926 8.830 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 -14.668 7.280 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 -16.016 9.656 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 11.996 4.296 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 -10.555 9.602 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 5.539 6.828 0.000 0.00 0.00 C+0 CONECT 1 2 3 4 5 CONECT 2 1 CONECT 3 1 CONECT 4 1 CONECT 5 1 CONECT 6 10 8 12 CONECT 7 20 8 9 CONECT 8 6 7 15 CONECT 9 7 11 CONECT 10 17 6 11 CONECT 11 18 10 9 CONECT 12 6 13 CONECT 13 16 12 14 CONECT 14 13 CONECT 15 8 CONECT 16 13 CONECT 17 10 CONECT 18 11 19 CONECT 19 18 CONECT 20 7 21 CONECT 21 22 23 20 CONECT 22 21 24 31 CONECT 23 21 25 27 CONECT 24 22 26 CONECT 25 23 26 28 CONECT 26 25 29 24 CONECT 27 23 CONECT 28 25 CONECT 29 26 30 CONECT 30 29 CONECT 31 22 40 CONECT 32 41 36 57 CONECT 33 40 46 47 CONECT 34 36 35 CONECT 35 34 58 54 CONECT 36 34 32 53 CONECT 37 38 42 CONECT 38 37 44 43 CONECT 39 48 42 CONECT 40 33 31 52 CONECT 41 32 56 CONECT 42 37 65 39 CONECT 43 38 48 92 CONECT 44 38 47 76 CONECT 45 51 49 74 CONECT 46 33 55 75 CONECT 47 44 33 CONECT 48 39 43 84 CONECT 49 45 50 CONECT 50 49 60 82 CONECT 51 45 63 93 CONECT 52 40 59 72 CONECT 53 36 54 CONECT 54 53 35 CONECT 55 46 67 CONECT 56 41 78 61 CONECT 57 61 32 CONECT 58 35 79 86 CONECT 59 52 70 CONECT 60 50 80 85 CONECT 61 57 56 CONECT 62 65 68 CONECT 63 51 67 91 CONECT 64 66 81 87 CONECT 65 62 42 71 CONECT 66 64 77 88 CONECT 67 63 55 99 CONECT 68 62 83 89 CONECT 69 72 70 CONECT 70 59 69 CONECT 71 65 77 CONECT 72 69 52 CONECT 73 95 97 98 CONECT 74 45 CONECT 75 46 CONECT 76 44 CONECT 77 66 71 CONECT 78 56 90 CONECT 79 58 CONECT 80 60 CONECT 81 64 CONECT 82 50 94 101 CONECT 83 68 CONECT 84 48 CONECT 85 60 90 CONECT 86 58 100 CONECT 87 64 CONECT 88 66 CONECT 89 68 CONECT 90 78 85 CONECT 91 63 CONECT 92 43 CONECT 93 51 CONECT 94 82 CONECT 95 73 96 CONECT 96 95 100 CONECT 97 73 CONECT 98 73 CONECT 99 67 CONECT 100 96 86 CONECT 101 82 MASTER 0 0 0 0 0 0 0 0 101 0 210 0 END