HEADER PROTEIN 03-APR-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 03-APR-21 0 HETATM 1 C UNK 0 -14.878 -3.308 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -12.966 -3.308 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -12.370 -1.490 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 -13.922 -0.362 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 -15.463 -1.490 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -13.944 3.086 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -12.434 4.798 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -15.669 4.174 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -10.545 3.863 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 -8.880 4.513 0.000 0.00 0.00 O+0 HETATM 11 N UNK 0 -12.434 7.702 0.000 0.00 0.00 N+0 HETATM 12 C UNK 0 -10.836 8.726 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -9.238 7.760 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 -10.856 10.059 0.000 0.00 0.00 O+0 HETATM 15 N UNK 0 -9.238 6.176 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -7.543 8.146 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -11.043 -0.709 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 -9.703 -1.467 0.000 0.00 0.00 N+0 HETATM 19 O UNK 0 -11.057 0.831 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 -8.376 -0.686 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -7.036 -1.444 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 -5.709 -0.663 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 -4.369 -1.421 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.042 -0.639 0.000 0.00 0.00 C+0 HETATM 25 N UNK 0 -1.701 -1.398 0.000 0.00 0.00 N+0 HETATM 26 C UNK 0 -0.374 -0.616 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -8.409 1.665 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -7.022 -2.984 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 -3.055 0.901 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 0.966 -1.374 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 2.293 -0.593 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 3.633 -1.351 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 4.960 -0.570 0.000 0.00 0.00 C+0 HETATM 34 N UNK 0 6.300 -1.328 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 7.627 -0.547 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 8.968 -1.305 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 10.294 -0.523 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 11.635 -1.282 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 12.962 -0.500 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 14.399 -0.949 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -7.256 2.602 0.000 0.00 0.00 C+0 HETATM 42 S UNK 0 -5.867 1.949 0.000 0.00 0.00 S+0 HETATM 43 C UNK 0 -4.859 3.030 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.278 -3.472 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.976 -4.202 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.001 -5.259 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -1.891 -3.556 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -0.378 1.870 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 0.784 2.816 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.535 2.677 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 0.979 -2.914 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 3.646 -2.891 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 4.947 0.970 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 7.614 0.993 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 8.941 1.775 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 10.274 1.012 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 11.601 1.792 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 11.588 3.334 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 10.238 4.092 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 8.918 3.307 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 12.915 4.118 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 8.981 -2.845 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 11.648 -2.822 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 10.321 -3.603 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 13.002 -5.120 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 14.342 -5.878 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 11.675 -5.902 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 14.356 -7.418 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 15.669 -5.097 0.000 0.00 0.00 O+0 HETATM 70 N UNK 0 12.985 -3.568 0.000 0.00 0.00 N+0 HETATM 71 O UNK 0 14.615 -2.393 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 15.629 0.276 0.000 0.00 0.00 O-1 HETATM 73 Na UNK 0 -2.689 -10.059 0.000 0.00 0.00 Na+1 CONECT 1 5 2 CONECT 2 3 1 CONECT 3 2 4 17 CONECT 4 3 5 6 CONECT 5 4 1 CONECT 6 8 4 7 CONECT 7 9 6 11 CONECT 8 6 CONECT 9 7 10 CONECT 10 9 CONECT 11 12 7 CONECT 12 11 13 14 CONECT 13 12 15 16 CONECT 14 12 CONECT 15 13 CONECT 16 13 CONECT 17 18 19 3 CONECT 18 17 20 CONECT 19 17 CONECT 20 18 21 27 CONECT 21 20 22 28 CONECT 22 21 23 CONECT 23 44 22 24 CONECT 24 23 25 29 CONECT 25 24 26 CONECT 26 48 25 30 CONECT 27 41 20 CONECT 28 21 CONECT 29 24 CONECT 30 51 26 31 CONECT 31 30 32 CONECT 32 52 31 33 CONECT 33 53 32 34 CONECT 34 33 35 CONECT 35 36 54 34 CONECT 36 35 37 62 CONECT 37 36 38 CONECT 38 37 39 63 CONECT 39 38 40 CONECT 40 39 71 72 CONECT 41 27 42 CONECT 42 41 43 CONECT 43 42 CONECT 44 23 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 CONECT 48 26 49 50 CONECT 49 48 CONECT 50 48 CONECT 51 30 CONECT 52 32 CONECT 53 33 CONECT 54 35 55 CONECT 55 54 56 60 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 61 CONECT 59 58 60 CONECT 60 59 55 CONECT 61 58 CONECT 62 36 CONECT 63 38 64 70 CONECT 64 63 CONECT 65 66 67 70 CONECT 66 65 68 69 CONECT 67 65 CONECT 68 66 CONECT 69 66 CONECT 70 63 65 CONECT 71 40 CONECT 72 40 MASTER 0 0 0 0 0 0 0 0 73 0 146 0 END