HEADER PROTEIN 27-APR-16 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-APR-16 0 HETATM 1 C UNK 0 13.506 9.556 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 10.839 11.096 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 19.873 28.998 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 19.103 27.664 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 21.413 28.998 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 17.563 27.664 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 22.183 27.664 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 16.793 26.330 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 23.723 27.664 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 17.563 24.997 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 24.493 28.998 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 30.653 31.665 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 16.793 23.663 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 29.113 31.665 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 26.033 28.998 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 31.423 32.999 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 12.943 16.995 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 12.173 15.661 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 16.793 15.661 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 17.563 16.995 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 16.793 20.996 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 11.403 0.990 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 24.493 31.665 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 11.403 8.993 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 15.473 -6.796 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 16.765 -1.867 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 17.563 22.329 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 23.723 32.999 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 28.343 30.331 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 12.173 -0.343 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 26.803 30.331 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 14.483 16.995 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 32.963 32.999 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 17.563 19.662 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 17.283 -4.304 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 12.691 -2.781 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 11.546 -1.750 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 12.943 11.660 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 17.909 -5.711 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 15.752 -4.143 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 12.173 12.994 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 14.025 -2.011 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 22.183 32.999 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 12.173 10.326 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 24.493 34.332 0.000 0.00 0.00 N+0 HETATM 46 N UNK 0 19.441 -5.872 0.000 0.00 0.00 N+0 HETATM 47 N UNK 0 15.253 15.661 0.000 0.00 0.00 N+0 HETATM 48 N UNK 0 12.943 14.327 0.000 0.00 0.00 N+0 HETATM 49 N UNK 0 17.004 -6.957 0.000 0.00 0.00 N+0 HETATM 50 N UNK 0 14.846 -5.389 0.000 0.00 0.00 N+0 HETATM 51 N UNK 0 17.909 -2.897 0.000 0.00 0.00 N+0 HETATM 52 N UNK 0 15.431 -2.637 0.000 0.00 0.00 N+0 HETATM 53 O UNK 0 19.103 22.329 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 29.113 28.998 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 15.253 18.328 0.000 0.00 0.00 O-1 HETATM 56 O UNK 0 33.733 34.332 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 33.733 31.665 0.000 0.00 0.00 O-1 HETATM 58 O UNK 0 19.103 19.662 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 12.530 -4.312 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 14.483 11.660 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 10.633 12.994 0.000 0.00 0.00 O-1 HETATM 62 O UNK 0 21.413 31.665 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 21.413 34.332 0.000 0.00 0.00 O-1 HETATM 64 O UNK 0 10.154 0.105 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 7.865 -1.956 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 7.979 0.219 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 12.736 4.428 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 10.069 2.888 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 12.736 5.555 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 10.069 7.095 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 12.173 2.324 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 12.173 7.659 0.000 0.00 0.00 O+0 HETATM 73 O UNK 0 13.704 -0.504 0.000 0.00 0.00 O+0 HETATM 74 O UNK 0 10.040 -2.070 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 10.633 4.991 0.000 0.00 0.00 O+0 HETATM 76 P UNK 0 9.010 -0.926 0.000 0.00 0.00 P+0 HETATM 77 P UNK 0 11.403 3.658 0.000 0.00 0.00 P+0 HETATM 78 P UNK 0 11.403 6.325 0.000 0.00 0.00 P+0 HETATM 79 S UNK 0 16.793 18.328 0.000 0.00 0.00 S+0 HETATM 80 S UNK 0 26.033 31.665 0.000 0.00 0.00 S+0 HETATM 81 H UNK 0 19.103 30.331 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 22.183 30.331 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 16.793 28.998 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 21.413 26.330 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 15.253 26.330 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 24.493 26.330 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 23.723 30.331 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 26.803 27.664 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 16.023 22.329 0.000 0.00 0.00 H+0 HETATM 90 H UNK 0 22.953 31.665 0.000 0.00 0.00 H+0 HETATM 91 H UNK 0 27.573 31.665 0.000 0.00 0.00 H+0 HETATM 92 H UNK 0 10.635 -0.424 0.000 0.00 0.00 H+0 HETATM 93 H UNK 0 27.573 28.998 0.000 0.00 0.00 H+0 HETATM 94 H UNK 0 11.253 -3.332 0.000 0.00 0.00 H+0 HETATM 95 H UNK 0 13.053 -1.430 0.000 0.00 0.00 H+0 HETATM 96 H UNK 0 11.403 11.660 0.000 0.00 0.00 H+0 HETATM 97 H UNK 0 14.105 -3.548 0.000 0.00 0.00 H+0 CONECT 1 44 CONECT 2 44 CONECT 3 4 5 81 CONECT 4 3 6 CONECT 5 3 7 82 CONECT 6 4 8 83 CONECT 7 5 9 84 CONECT 8 6 10 85 CONECT 9 7 11 86 CONECT 10 8 13 CONECT 11 9 15 87 CONECT 12 14 16 CONECT 13 10 27 CONECT 14 12 29 CONECT 15 11 31 88 CONECT 16 12 33 CONECT 17 18 32 CONECT 18 17 48 CONECT 19 20 47 CONECT 20 19 79 CONECT 21 27 34 CONECT 22 30 71 CONECT 23 28 80 CONECT 24 44 72 CONECT 25 49 50 CONECT 26 51 52 CONECT 27 13 21 53 89 CONECT 28 23 43 45 90 CONECT 29 14 31 54 91 CONECT 30 22 37 73 92 CONECT 31 15 29 80 93 CONECT 32 17 47 55 CONECT 33 16 56 57 CONECT 34 21 58 79 CONECT 35 39 40 51 CONECT 36 37 42 59 94 CONECT 37 30 36 74 95 CONECT 38 41 44 60 96 CONECT 39 35 46 49 CONECT 40 35 50 52 CONECT 41 38 48 61 CONECT 42 36 52 73 97 CONECT 43 28 62 63 CONECT 44 1 2 24 38 CONECT 45 28 CONECT 46 39 CONECT 47 19 32 CONECT 48 18 41 CONECT 49 25 39 CONECT 50 25 40 CONECT 51 26 35 CONECT 52 26 40 42 CONECT 53 27 CONECT 54 29 CONECT 55 32 CONECT 56 33 CONECT 57 33 CONECT 58 34 CONECT 59 36 CONECT 60 38 CONECT 61 41 CONECT 62 43 CONECT 63 43 CONECT 64 76 CONECT 65 76 CONECT 66 76 CONECT 67 77 CONECT 68 77 CONECT 69 78 CONECT 70 78 CONECT 71 22 77 CONECT 72 24 78 CONECT 73 30 42 CONECT 74 37 76 CONECT 75 77 78 CONECT 76 64 65 66 74 CONECT 77 67 68 71 75 CONECT 78 69 70 72 75 CONECT 79 20 34 CONECT 80 23 31 CONECT 81 3 CONECT 82 5 CONECT 83 6 CONECT 84 7 CONECT 85 8 CONECT 86 9 CONECT 87 11 CONECT 88 15 CONECT 89 27 CONECT 90 28 CONECT 91 29 CONECT 92 30 CONECT 93 31 CONECT 94 36 CONECT 95 37 CONECT 96 38 CONECT 97 42 MASTER 0 0 0 0 0 0 0 0 97 0 198 0 END