HEADER PROTEIN 08-DEC-16 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 08-DEC-16 0 HETATM 1 C UNK 0 15.670 25.036 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 16.499 23.738 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 15.790 22.371 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 16.619 21.074 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 15.910 19.707 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 16.739 18.409 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 16.029 17.042 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 16.858 15.744 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 16.149 14.377 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 14.611 14.308 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 13.782 15.606 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 14.491 16.973 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 13.901 12.941 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 14.590 11.564 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 13.493 10.483 0.000 0.00 0.00 C+0 HETATM 16 N UNK 0 12.126 11.193 0.000 0.00 0.00 N+0 HETATM 17 O UNK 0 12.378 12.712 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 13.723 8.961 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 15.156 8.398 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 15.386 6.875 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 14.182 5.915 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 12.748 6.478 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 12.519 8.000 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 14.411 4.392 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 15.845 3.830 0.000 0.00 0.00 O+0 HETATM 26 N UNK 0 13.207 3.432 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 13.437 1.909 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 14.977 1.909 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 16.448 1.455 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 17.721 0.588 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 18.681 -0.616 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 19.243 -2.050 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 20.745 -1.707 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 19.358 -3.585 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 20.892 -3.447 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 21.498 -4.864 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 20.338 -5.877 0.000 0.00 0.00 C+0 HETATM 38 N UNK 0 19.016 -5.087 0.000 0.00 0.00 N+0 HETATM 39 C UNK 0 18.246 -6.421 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 19.450 -7.381 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 17.117 -7.468 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 15.729 -8.136 0.000 0.00 0.00 N+0 HETATM 43 C UNK 0 14.207 -8.366 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 14.207 -9.906 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 12.684 -8.136 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 11.296 -7.468 0.000 0.00 0.00 N+0 HETATM 47 C UNK 0 10.167 -6.421 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 8.963 -7.381 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 9.397 -5.087 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 8.075 -5.877 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 6.916 -4.864 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 7.521 -3.447 0.000 0.00 0.00 C+0 HETATM 53 N UNK 0 9.055 -3.585 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 9.170 -2.050 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 7.668 -1.707 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 9.732 -0.616 0.000 0.00 0.00 C+0 HETATM 57 N UNK 0 10.693 0.588 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 11.965 1.455 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 11.297 2.843 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 8.399 0.154 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 8.399 1.694 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 7.065 -0.616 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 5.414 -5.206 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 12.230 -9.608 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 10.728 -9.950 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 10.275 -11.422 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 11.322 -12.551 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 10.868 -14.023 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 9.367 -14.365 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 8.319 -13.236 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 8.773 -11.765 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 6.818 -13.579 0.000 0.00 0.00 O+0 HETATM 73 S UNK 0 6.364 -15.051 0.000 0.00 0.00 S+0 HETATM 74 O UNK 0 4.892 -14.597 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 7.836 -15.505 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 5.910 -16.522 0.000 0.00 0.00 O-1 HETATM 77 O UNK 0 8.913 -15.837 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 9.681 -8.822 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 13.277 -10.737 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 17.984 -8.740 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 17.316 -10.128 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 18.184 -11.400 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 19.719 -11.285 0.000 0.00 0.00 O+0 HETATM 84 N UNK 0 17.516 -12.788 0.000 0.00 0.00 N+0 HETATM 85 O UNK 0 19.520 -8.625 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 22.999 -5.206 0.000 0.00 0.00 C+0 HETATM 87 O UNK 0 21.682 -2.125 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 18.768 1.717 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 17.116 2.843 0.000 0.00 0.00 O+0 HETATM 90 Na UNK 0 5.456 -17.994 0.000 0.00 0.00 Na+1 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 12 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 13 CONECT 11 10 12 CONECT 12 11 7 CONECT 13 10 14 17 CONECT 14 13 15 CONECT 15 14 16 18 CONECT 16 15 17 CONECT 17 16 13 CONECT 18 15 19 23 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 24 CONECT 22 21 23 CONECT 23 22 18 CONECT 24 21 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 58 CONECT 28 27 29 CONECT 29 28 30 89 CONECT 30 29 31 88 CONECT 31 30 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 38 CONECT 35 34 36 87 CONECT 36 35 37 86 CONECT 37 36 38 CONECT 38 37 34 39 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 80 CONECT 42 41 43 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 64 CONECT 46 45 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 53 CONECT 50 49 51 CONECT 51 50 52 63 CONECT 52 51 53 CONECT 53 52 49 54 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 60 CONECT 57 56 58 CONECT 58 57 27 59 CONECT 59 58 CONECT 60 56 61 62 CONECT 61 60 CONECT 62 60 CONECT 63 51 CONECT 64 45 65 79 CONECT 65 64 66 78 CONECT 66 65 67 71 CONECT 67 66 68 CONECT 68 67 69 CONECT 69 68 70 77 CONECT 70 69 71 72 CONECT 71 70 66 CONECT 72 70 73 CONECT 73 72 74 75 76 CONECT 74 73 CONECT 75 73 CONECT 76 73 CONECT 77 69 CONECT 78 65 CONECT 79 64 CONECT 80 41 81 85 CONECT 81 80 82 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 CONECT 85 80 CONECT 86 36 CONECT 87 35 CONECT 88 30 CONECT 89 29 MASTER 0 0 0 0 0 0 0 0 90 0 190 0 END