HEADER PROTEIN 17-JAN-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-JAN-20 0 HETATM 1 O UNK 0 7.833 -13.112 0.000 0.00 0.00 O+0 HETATM 2 S UNK 0 7.833 -14.703 0.000 0.00 0.00 S+0 HETATM 3 O UNK 0 9.424 -14.703 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 6.242 -14.703 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 7.833 -16.293 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 2.841 -13.069 0.000 0.00 0.00 O+0 HETATM 7 S UNK 0 2.841 -14.660 0.000 0.00 0.00 S+0 HETATM 8 O UNK 0 4.432 -14.660 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 1.250 -14.660 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 2.841 -16.250 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 -2.194 -12.983 0.000 0.00 0.00 O+0 HETATM 12 S UNK 0 -2.194 -14.573 0.000 0.00 0.00 S+0 HETATM 13 O UNK 0 -0.603 -14.573 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 -3.785 -14.573 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 -2.194 -16.164 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 0.524 -2.681 0.000 0.00 0.00 C+0 HETATM 17 N UNK 0 -2.087 -2.681 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 -3.440 -3.441 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 0.524 -1.091 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 -0.781 -3.441 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.087 -7.310 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 -3.440 -8.046 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 0.524 1.900 0.000 0.00 0.00 N+0 HETATM 24 N UNK 0 -2.063 3.466 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 -3.440 -5.007 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 1.901 -0.355 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 0.524 3.466 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.063 1.900 0.000 0.00 0.00 C+0 HETATM 29 N UNK 0 -2.087 -5.696 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 -0.781 4.226 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 1.901 1.164 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.769 -2.681 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.392 1.164 0.000 0.00 0.00 C+0 HETATM 34 N UNK 0 -4.769 -1.091 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 -4.769 -5.696 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -6.003 1.235 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 1.901 -3.441 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.769 -7.310 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -7.308 1.971 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 -4.674 1.971 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 4.607 -3.465 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 3.182 -2.681 0.000 0.00 0.00 N+0 HETATM 43 N UNK 0 -0.734 -8.046 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 -3.392 -0.355 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.614 1.235 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 -0.781 -5.007 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 1.901 4.226 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 -0.781 1.164 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 3.182 -1.091 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 -6.146 -3.465 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 4.607 -5.007 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 -6.003 -0.308 0.000 0.00 0.00 O+0 HETATM 53 N UNK 0 5.984 -2.681 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 -10.038 2.018 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 -8.614 -0.308 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 3.182 1.900 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -0.781 5.792 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -11.368 1.235 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 -14.074 1.235 0.000 0.00 0.00 N+0 HETATM 60 O UNK 0 0.524 6.528 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 3.182 3.466 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 -12.721 1.971 0.000 0.00 0.00 C+0 HETATM 63 H UNK 0 -4.864 -4.343 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.110 -4.224 0.000 0.00 0.00 H+0 HETATM 65 O UNK 0 -10.038 3.561 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 -12.323 -11.841 0.000 0.00 0.00 C+0 HETATM 67 N UNK 0 -14.933 -11.841 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 -16.286 -12.600 0.000 0.00 0.00 C+0 HETATM 69 N UNK 0 -12.323 -10.250 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 -13.628 -12.600 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -14.933 -16.469 0.000 0.00 0.00 C+0 HETATM 72 N UNK 0 -16.286 -17.205 0.000 0.00 0.00 N+0 HETATM 73 N UNK 0 -12.323 -7.260 0.000 0.00 0.00 N+0 HETATM 74 N UNK 0 -14.909 -5.693 0.000 0.00 0.00 N+0 HETATM 75 C UNK 0 -16.286 -14.167 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -10.946 -9.514 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -12.323 -5.693 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -14.909 -7.260 0.000 0.00 0.00 C+0 HETATM 79 N UNK 0 -14.933 -14.855 0.000 0.00 0.00 N+0 HETATM 80 C UNK 0 -13.628 -4.934 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -10.946 -7.995 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -17.615 -11.841 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -16.239 -7.995 0.000 0.00 0.00 C+0 HETATM 84 N UNK 0 -17.615 -10.250 0.000 0.00 0.00 N+0 HETATM 85 C UNK 0 -17.615 -14.855 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -18.849 -7.924 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -10.946 -12.600 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -17.615 -16.469 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 -20.155 -7.189 0.000 0.00 0.00 C+0 HETATM 90 N UNK 0 -17.520 -7.189 0.000 0.00 0.00 N+0 HETATM 91 C UNK 0 -8.240 -12.624 0.000 0.00 0.00 C+0 HETATM 92 N UNK 0 -9.664 -11.841 0.000 0.00 0.00 N+0 HETATM 93 N UNK 0 -13.580 -17.205 0.000 0.00 0.00 N+0 HETATM 94 C UNK 0 -16.239 -9.514 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 -21.460 -7.924 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 -13.628 -14.167 0.000 0.00 0.00 O+0 HETATM 97 O UNK 0 -10.946 -4.934 0.000 0.00 0.00 O+0 HETATM 98 O UNK 0 -13.628 -7.995 0.000 0.00 0.00 O+0 HETATM 99 O UNK 0 -9.664 -10.250 0.000 0.00 0.00 O+0 HETATM 100 O UNK 0 -18.992 -12.624 0.000 0.00 0.00 O+0 HETATM 101 O UNK 0 -8.240 -14.167 0.000 0.00 0.00 O+0 HETATM 102 O UNK 0 -18.849 -9.467 0.000 0.00 0.00 O+0 HETATM 103 N UNK 0 -6.863 -11.841 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 -22.885 -7.141 0.000 0.00 0.00 C+0 HETATM 105 N UNK 0 -21.460 -9.467 0.000 0.00 0.00 N+0 HETATM 106 C UNK 0 -9.664 -7.260 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 -13.628 -3.367 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 -24.214 -7.924 0.000 0.00 0.00 C+0 HETATM 109 N UNK 0 -26.920 -7.924 0.000 0.00 0.00 N+0 HETATM 110 O UNK 0 -12.323 -2.631 0.000 0.00 0.00 O+0 HETATM 111 O UNK 0 -9.664 -5.693 0.000 0.00 0.00 O+0 HETATM 112 C UNK 0 -25.567 -7.189 0.000 0.00 0.00 C+0 HETATM 113 H UNK 0 -17.710 -13.502 0.000 0.00 0.00 H+0 HETATM 114 H UNK 0 -14.957 -13.383 0.000 0.00 0.00 H+0 HETATM 115 O UNK 0 -22.885 -5.598 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 4 5 CONECT 3 2 CONECT 4 2 CONECT 5 2 CONECT 6 7 CONECT 7 6 8 9 10 CONECT 8 7 CONECT 9 7 CONECT 10 7 CONECT 11 12 CONECT 12 11 13 14 15 CONECT 13 12 CONECT 14 12 CONECT 15 12 CONECT 16 19 20 37 CONECT 17 20 18 CONECT 18 17 25 32 64 CONECT 19 16 26 CONECT 20 16 17 46 CONECT 21 29 43 22 CONECT 22 21 38 CONECT 23 31 27 CONECT 24 30 28 CONECT 25 18 29 35 63 CONECT 26 19 31 49 CONECT 27 23 30 47 CONECT 28 24 33 48 CONECT 29 21 25 CONECT 30 24 27 57 CONECT 31 23 26 56 CONECT 32 18 34 50 CONECT 33 28 44 40 CONECT 34 32 44 CONECT 35 25 38 CONECT 36 40 39 52 CONECT 37 16 42 CONECT 38 22 35 CONECT 39 36 45 CONECT 40 33 36 CONECT 41 42 51 53 CONECT 42 37 41 CONECT 43 21 CONECT 44 33 34 CONECT 45 39 54 55 CONECT 46 20 CONECT 47 27 CONECT 48 28 CONECT 49 26 CONECT 50 32 CONECT 51 41 CONECT 52 36 CONECT 53 41 CONECT 54 45 58 65 CONECT 55 45 CONECT 56 31 61 CONECT 57 30 60 CONECT 58 54 62 CONECT 59 62 CONECT 60 57 CONECT 61 56 CONECT 62 58 59 CONECT 63 25 CONECT 64 18 CONECT 65 54 CONECT 66 69 70 87 CONECT 67 70 68 CONECT 68 67 75 82 114 CONECT 69 66 76 CONECT 70 66 67 96 CONECT 71 79 93 72 CONECT 72 71 88 CONECT 73 81 77 CONECT 74 80 78 CONECT 75 68 79 85 113 CONECT 76 69 81 99 CONECT 77 73 80 97 CONECT 78 74 83 98 CONECT 79 71 75 CONECT 80 74 77 107 CONECT 81 73 76 106 CONECT 82 68 84 100 CONECT 83 78 94 90 CONECT 84 82 94 CONECT 85 75 88 CONECT 86 90 89 102 CONECT 87 66 92 CONECT 88 72 85 CONECT 89 86 95 CONECT 90 83 86 CONECT 91 92 101 103 CONECT 92 87 91 CONECT 93 71 CONECT 94 83 84 CONECT 95 89 104 105 CONECT 96 70 CONECT 97 77 CONECT 98 78 CONECT 99 76 CONECT 100 82 CONECT 101 91 CONECT 102 86 CONECT 103 91 CONECT 104 95 108 115 CONECT 105 95 CONECT 106 81 111 CONECT 107 80 110 CONECT 108 104 112 CONECT 109 112 CONECT 110 107 CONECT 111 106 CONECT 112 108 109 CONECT 113 75 CONECT 114 68 CONECT 115 104 MASTER 0 0 0 0 0 0 0 0 115 0 228 0 END