HEADER PROTEIN 03-OCT-16 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 03-OCT-16 0 HETATM 1 C UNK 0 -22.332 18.441 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.565 4.888 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -22.572 16.920 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.325 6.409 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -21.374 15.952 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.888 6.962 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -21.614 14.430 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.648 8.484 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -20.416 13.462 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.211 9.037 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -20.656 11.941 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.014 8.069 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -19.458 10.973 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 0.424 8.622 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -18.021 11.526 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 0.663 10.143 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -16.823 10.558 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.100 10.696 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -15.386 11.111 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -15.146 12.633 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -13.709 13.186 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -13.469 14.707 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 2.340 12.218 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -12.032 15.260 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 1.142 13.186 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -11.793 16.781 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 1.382 14.707 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -10.355 17.335 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 0.184 15.675 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -10.116 18.856 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 0.424 17.196 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -8.679 19.409 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.774 18.164 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -8.439 20.930 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.534 19.686 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.002 21.484 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.732 20.654 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -6.762 23.005 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.451 24.664 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.409 27.154 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.648 25.632 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.493 22.175 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -5.325 23.558 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 1.449 24.677 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 2.417 25.875 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.073 24.916 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 1.864 27.312 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -0.626 26.354 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 0.342 27.551 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 -0.055 22.728 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 -4.128 22.590 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 2.002 23.240 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 3.938 25.635 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 -1.041 23.719 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 2.832 28.509 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 -2.147 26.593 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 -1.493 30.749 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 -3.253 29.468 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 -2.690 23.143 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 -1.972 27.707 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 -5.086 25.079 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 -0.211 28.989 0.000 0.00 0.00 O+0 HETATM 63 P UNK 0 -1.732 29.228 0.000 0.00 0.00 P+0 HETATM 64 H UNK 0 -22.093 11.388 0.000 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.253 6.548 0.000 0.00 0.00 H+0 HETATM 66 H UNK 0 -19.697 9.452 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 1.621 7.654 0.000 0.00 0.00 H+0 HETATM 68 H UNK 0 -17.062 9.037 0.000 0.00 0.00 H+0 HETATM 69 H UNK 0 3.298 9.728 0.000 0.00 0.00 H+0 HETATM 70 H UNK 0 -14.188 10.143 0.000 0.00 0.00 H+0 HETATM 71 H UNK 0 3.777 12.771 0.000 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.888 24.111 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 2.970 24.437 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 3.385 27.072 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.594 25.156 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 0.895 26.114 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.179 27.791 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 1.310 28.749 0.000 0.00 0.00 H+0 CONECT 1 3 CONECT 2 4 CONECT 3 1 5 CONECT 4 2 6 CONECT 5 3 7 CONECT 6 4 8 CONECT 7 5 9 CONECT 8 6 10 CONECT 9 7 11 CONECT 10 8 12 CONECT 11 9 13 64 CONECT 12 10 14 65 CONECT 13 11 15 66 CONECT 14 12 16 67 CONECT 15 13 17 CONECT 16 14 18 CONECT 17 15 19 68 CONECT 18 16 23 69 CONECT 19 17 20 70 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 24 CONECT 23 18 25 71 CONECT 24 22 26 CONECT 25 23 27 CONECT 26 24 28 CONECT 27 25 29 CONECT 28 26 30 CONECT 29 27 31 CONECT 30 28 32 CONECT 31 29 33 CONECT 32 30 34 CONECT 33 31 35 CONECT 34 32 36 CONECT 35 33 37 CONECT 36 34 38 CONECT 37 35 42 CONECT 38 36 43 CONECT 39 41 59 CONECT 40 41 60 CONECT 41 39 40 61 72 CONECT 42 37 50 59 CONECT 43 38 51 61 CONECT 44 45 46 52 73 CONECT 45 44 47 53 74 CONECT 46 44 48 54 75 CONECT 47 45 49 55 76 CONECT 48 46 49 56 77 CONECT 49 47 48 62 78 CONECT 50 42 CONECT 51 43 CONECT 52 44 CONECT 53 45 CONECT 54 46 CONECT 55 47 CONECT 56 48 CONECT 57 63 CONECT 58 63 CONECT 59 39 42 CONECT 60 40 63 CONECT 61 41 43 CONECT 62 49 63 CONECT 63 57 58 60 62 CONECT 64 11 CONECT 65 12 CONECT 66 13 CONECT 67 14 CONECT 68 17 CONECT 69 18 CONECT 70 19 CONECT 71 23 CONECT 72 41 CONECT 73 44 CONECT 74 45 CONECT 75 46 CONECT 76 47 CONECT 77 48 CONECT 78 49 MASTER 0 0 0 0 0 0 0 0 78 0 156 0 END