HEADER PROTEIN 27-NOV-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-NOV-21 0 HETATM 1 C UNK 0 8.723 -1.911 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 10.574 -2.980 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 12.425 -1.911 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 0.860 -14.550 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 1.737 -15.065 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.615 -14.550 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 2.615 -13.535 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 1.737 -13.020 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 0.860 -13.535 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 1.737 -12.005 0.000 0.00 0.00 C+0 HETATM 11 N UNK 0 3.492 -15.065 0.000 0.00 0.00 N+0 HETATM 12 C UNK 0 3.492 -16.080 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 4.370 -14.550 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 1.737 -16.080 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 -0.488 -15.333 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -1.823 -14.565 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.823 -13.006 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -3.172 -12.215 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.513 -13.006 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.876 -12.215 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -7.225 -13.006 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -8.451 -12.027 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -9.966 -12.382 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -11.525 -12.382 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 -10.750 -11.033 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -10.641 -13.803 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -9.952 -15.203 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 -8.422 -15.537 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 -7.211 -14.565 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.876 -15.333 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.513 -14.565 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.172 -15.333 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -1.830 -16.110 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -4.520 -16.110 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.876 -16.871 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.023 -17.038 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -11.069 -16.298 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 -12.214 -13.803 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -8.052 -10.518 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -9.154 -9.416 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -5.876 -10.642 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.513 -13.825 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -3.172 -11.193 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -2.294 -10.678 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -1.409 -11.193 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.532 -10.678 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 -0.532 -11.693 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 0.454 -12.433 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 0.353 -11.193 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -0.532 -9.670 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -1.409 -9.155 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -2.294 -9.670 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -1.409 -8.140 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 0.353 -9.155 0.000 0.00 0.00 O+0 HETATM 55 H UNK 0 -2.294 -11.693 0.000 0.00 0.00 H+0 HETATM 56 C UNK 0 -0.887 -12.556 0.000 0.00 0.00 C+0 HETATM 57 H UNK 0 -0.024 -14.043 0.000 0.00 0.00 H+0 HETATM 58 O UNK 0 5.725 5.182 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 -2.347 -1.299 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -1.469 -1.813 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -0.592 -1.299 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -0.592 -0.283 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -1.469 0.231 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 -2.347 -0.283 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 -1.469 1.247 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 0.285 -1.813 0.000 0.00 0.00 N+0 HETATM 67 C UNK 0 0.285 -2.828 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 1.163 -1.299 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 -1.469 -2.828 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 -3.695 -2.082 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 -5.030 -1.313 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -5.030 0.246 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -6.379 1.036 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -7.720 0.246 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -9.084 1.036 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 -10.432 0.246 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 -11.658 1.225 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -13.173 0.870 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 -14.733 0.870 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 -13.957 2.218 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -13.848 -0.551 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -13.159 -1.951 0.000 0.00 0.00 C+0 HETATM 83 N UNK 0 -11.629 -2.285 0.000 0.00 0.00 N+0 HETATM 84 C UNK 0 -10.418 -1.313 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -9.084 -2.082 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -7.720 -1.313 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -6.379 -2.082 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 -5.037 -2.858 0.000 0.00 0.00 O+0 HETATM 89 C UNK 0 -7.727 -2.858 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 -9.084 -3.619 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 -11.230 -3.786 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 -14.276 -3.046 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 -15.422 -0.551 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 -11.259 2.733 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 -12.361 3.836 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 -9.084 2.610 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 -7.720 -0.573 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 -6.379 2.059 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -5.501 2.574 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 -4.616 2.059 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 -3.739 2.574 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 -3.739 1.558 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 -2.753 0.819 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 -2.854 2.059 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 -3.739 3.582 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 -4.616 4.097 0.000 0.00 0.00 C+0 HETATM 107 O UNK 0 -5.501 3.582 0.000 0.00 0.00 O+0 HETATM 108 C UNK 0 -4.616 5.112 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 -2.854 4.097 0.000 0.00 0.00 O+0 HETATM 110 H UNK 0 -5.501 1.558 0.000 0.00 0.00 H+0 HETATM 111 C UNK 0 -4.094 0.696 0.000 0.00 0.00 C+0 HETATM 112 H UNK 0 -3.232 -0.791 0.000 0.00 0.00 H+0 HETATM 113 O UNK 0 8.634 2.381 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 CONECT 4 5 9 15 57 CONECT 5 4 6 14 CONECT 6 5 7 11 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 4 CONECT 10 8 CONECT 11 6 12 13 CONECT 12 11 CONECT 13 11 CONECT 14 5 CONECT 15 4 16 CONECT 16 15 17 32 CONECT 17 16 18 56 CONECT 18 17 19 43 CONECT 19 18 20 42 CONECT 20 19 21 41 CONECT 21 20 22 CONECT 22 21 23 39 CONECT 23 22 24 25 26 CONECT 24 23 CONECT 25 23 CONECT 26 23 27 38 CONECT 27 26 28 37 CONECT 28 27 29 36 CONECT 29 28 30 CONECT 30 29 31 35 CONECT 31 30 32 CONECT 32 31 16 33 34 CONECT 33 32 CONECT 34 32 CONECT 35 30 CONECT 36 28 CONECT 37 27 CONECT 38 26 CONECT 39 22 40 CONECT 40 39 CONECT 41 20 CONECT 42 19 CONECT 43 18 44 CONECT 44 43 45 52 55 CONECT 45 44 46 CONECT 46 45 47 49 50 CONECT 47 46 48 CONECT 48 47 CONECT 49 46 CONECT 50 46 51 54 CONECT 51 50 52 53 CONECT 52 51 44 CONECT 53 51 CONECT 54 50 CONECT 55 44 CONECT 56 17 CONECT 57 4 CONECT 59 60 64 70 112 CONECT 60 59 61 69 CONECT 61 60 62 66 CONECT 62 61 63 CONECT 63 62 64 65 CONECT 64 63 59 CONECT 65 63 CONECT 66 61 67 68 CONECT 67 66 CONECT 68 66 CONECT 69 60 CONECT 70 59 71 CONECT 71 70 72 87 CONECT 72 71 73 111 CONECT 73 72 74 98 CONECT 74 73 75 97 CONECT 75 74 76 96 CONECT 76 75 77 CONECT 77 76 78 94 CONECT 78 77 79 80 81 CONECT 79 78 CONECT 80 78 CONECT 81 78 82 93 CONECT 82 81 83 92 CONECT 83 82 84 91 CONECT 84 83 85 CONECT 85 84 86 90 CONECT 86 85 87 CONECT 87 86 71 88 89 CONECT 88 87 CONECT 89 87 CONECT 90 85 CONECT 91 83 CONECT 92 82 CONECT 93 81 CONECT 94 77 95 CONECT 95 94 CONECT 96 75 CONECT 97 74 CONECT 98 73 99 CONECT 99 98 100 107 110 CONECT 100 99 101 CONECT 101 100 102 104 105 CONECT 102 101 103 CONECT 103 102 CONECT 104 101 CONECT 105 101 106 109 CONECT 106 105 107 108 CONECT 107 106 99 CONECT 108 106 CONECT 109 105 CONECT 110 99 CONECT 111 72 CONECT 112 59 MASTER 0 0 0 0 0 0 0 0 113 0 228 0 END