HEADER PROTEIN 27-AUG-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-AUG-21 0 HETATM 1 C UNK 0 1.355 -4.393 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.957 -3.061 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.177 -4.393 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.584 -5.183 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.822 -3.849 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -6.126 -5.183 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -2.489 -3.061 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 2.689 -5.155 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 3.450 -6.488 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.915 -3.849 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 2.136 -3.061 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.177 -1.727 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 5.001 -6.488 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 -4.584 -2.516 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 1.355 -1.727 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -6.126 -2.516 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 2.689 -7.821 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 -6.896 -6.515 0.000 0.00 0.00 N+0 HETATM 19 O UNK 0 -3.813 -6.515 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 -0.957 -5.727 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 3.450 -9.154 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 3.668 -3.061 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 -0.957 -0.394 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 5.763 -7.821 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -8.248 -3.079 0.000 0.00 0.00 O+0 HETATM 26 N UNK 0 1.138 -7.821 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 5.001 -9.154 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 8.429 -7.794 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 -8.248 -4.611 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 7.087 -7.032 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.438 -6.515 0.000 0.00 0.00 C+0 HETATM 32 H UNK 0 -2.489 -4.611 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 7.096 -8.601 0.000 0.00 0.00 H+0 HETATM 34 H UNK 0 1.355 -5.935 0.000 0.00 0.00 H+0 HETATM 35 C UNK 0 -9.418 5.155 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -11.730 6.488 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -10.968 5.155 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -15.376 4.366 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -14.614 5.700 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -16.908 4.366 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -7.323 3.042 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -13.281 6.470 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 -8.085 4.376 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -5.781 3.042 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -17.688 5.700 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.656 6.488 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -10.968 7.821 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -15.376 7.032 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 -9.418 7.821 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -5.011 1.710 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -16.908 7.032 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -8.094 1.710 0.000 0.00 0.00 C+0 HETATM 53 N UNK 0 -17.688 3.033 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 -5.781 0.376 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.323 0.376 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 -14.596 3.033 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 -11.730 3.822 0.000 0.00 0.00 O+0 HETATM 58 N UNK 0 -11.730 9.154 0.000 0.00 0.00 N+0 HETATM 59 N UNK 0 -7.105 6.470 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 -3.686 2.489 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 -19.048 6.461 0.000 0.00 0.00 O+0 HETATM 62 N UNK 0 -3.705 4.040 0.000 0.00 0.00 N+0 HETATM 63 N UNK 0 -9.635 1.710 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 -19.048 4.938 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -19.220 3.033 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -2.371 4.829 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -2.344 1.737 0.000 0.00 0.00 C+0 HETATM 68 H UNK 0 -9.427 3.605 0.000 0.00 0.00 H+0 HETATM 69 H UNK 0 -13.281 4.920 0.000 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.686 0.938 0.000 0.00 0.00 H+0 HETATM 71 C UNK 0 12.147 5.155 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 9.835 6.488 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 10.605 5.155 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 6.198 4.366 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 6.960 5.700 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 4.647 4.366 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 14.242 3.042 0.000 0.00 0.00 C+0 HETATM 78 O UNK 0 8.293 6.470 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 13.480 4.376 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 15.774 3.042 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 3.877 5.700 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 12.918 6.488 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 10.605 7.821 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 6.198 7.032 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 12.147 7.821 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 16.554 1.710 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 4.647 7.032 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 13.462 1.710 0.000 0.00 0.00 C+0 HETATM 89 N UNK 0 3.886 3.033 0.000 0.00 0.00 N+0 HETATM 90 C UNK 0 15.774 0.376 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 14.242 0.376 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 6.960 3.033 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 9.835 3.822 0.000 0.00 0.00 O+0 HETATM 94 N UNK 0 9.835 9.154 0.000 0.00 0.00 N+0 HETATM 95 N UNK 0 14.460 6.470 0.000 0.00 0.00 N+0 HETATM 96 C UNK 0 17.869 2.489 0.000 0.00 0.00 C+0 HETATM 97 O UNK 0 2.525 6.461 0.000 0.00 0.00 O+0 HETATM 98 N UNK 0 11.920 1.710 0.000 0.00 0.00 N+0 HETATM 99 N UNK 0 17.869 4.040 0.000 0.00 0.00 N+0 HETATM 100 C UNK 0 2.525 4.938 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 2.335 3.033 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 19.220 1.737 0.000 0.00 0.00 C+0 HETATM 103 H UNK 0 8.293 4.920 0.000 0.00 0.00 H+0 HETATM 104 H UNK 0 12.129 3.605 0.000 0.00 0.00 H+0 HETATM 105 H UNK 0 17.869 0.938 0.000 0.00 0.00 H+0 CONECT 1 3 8 11 34 CONECT 2 3 7 12 CONECT 3 2 1 20 CONECT 4 5 6 19 CONECT 5 4 7 14 32 CONECT 6 4 18 10 CONECT 7 5 2 CONECT 8 1 9 CONECT 9 8 13 17 CONECT 10 16 25 29 6 CONECT 11 1 15 22 CONECT 12 15 23 2 CONECT 13 9 24 CONECT 14 5 16 CONECT 15 12 11 CONECT 16 10 14 CONECT 17 9 21 26 CONECT 18 6 31 CONECT 19 4 CONECT 20 3 CONECT 21 17 27 CONECT 22 11 CONECT 23 12 CONECT 24 13 30 33 27 CONECT 25 10 CONECT 26 17 CONECT 27 21 24 CONECT 28 30 CONECT 29 10 CONECT 30 28 24 CONECT 31 18 CONECT 32 5 CONECT 33 24 CONECT 34 1 CONECT 35 68 37 43 46 CONECT 36 47 37 42 CONECT 37 36 35 57 CONECT 38 39 40 56 CONECT 39 69 38 42 48 CONECT 40 45 38 53 CONECT 41 43 44 52 CONECT 42 39 36 CONECT 43 41 35 CONECT 44 41 50 CONECT 45 61 64 40 51 CONECT 46 35 49 59 CONECT 47 36 49 58 CONECT 48 39 51 CONECT 49 47 46 CONECT 50 70 44 54 60 CONECT 51 45 48 CONECT 52 63 41 55 CONECT 53 65 40 CONECT 54 55 50 CONECT 55 54 52 CONECT 56 38 CONECT 57 37 CONECT 58 47 CONECT 59 46 CONECT 60 67 50 62 CONECT 61 45 CONECT 62 66 60 CONECT 63 52 CONECT 64 45 CONECT 65 53 CONECT 66 62 CONECT 67 60 CONECT 68 35 CONECT 69 39 CONECT 70 50 CONECT 71 73 79 82 104 CONECT 72 73 78 83 CONECT 73 72 71 93 CONECT 74 75 76 92 CONECT 75 74 78 84 103 CONECT 76 74 89 81 CONECT 77 79 80 88 CONECT 78 75 72 CONECT 79 77 71 CONECT 80 77 86 CONECT 81 87 97 100 76 CONECT 82 71 85 95 CONECT 83 85 94 72 CONECT 84 75 87 CONECT 85 83 82 CONECT 86 80 96 105 90 CONECT 87 81 84 CONECT 88 77 91 98 CONECT 89 76 101 CONECT 90 91 86 CONECT 91 90 88 CONECT 92 74 CONECT 93 73 CONECT 94 83 CONECT 95 82 CONECT 96 86 102 99 CONECT 97 81 CONECT 98 88 CONECT 99 96 CONECT 100 81 CONECT 101 89 CONECT 102 96 CONECT 103 75 CONECT 104 71 CONECT 105 86 MASTER 0 0 0 0 0 0 0 0 105 0 222 0 END