HEADER PROTEIN 27-MAY-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-MAY-21 0 HETATM 1 C UNK 0 -7.553 6.617 0.000 0.00 0.00 C+0 HETATM 2 S UNK 0 -6.013 6.617 0.000 0.00 0.00 S+0 HETATM 3 O UNK 0 -4.473 6.617 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 -6.013 8.157 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 -6.013 5.077 0.000 0.00 0.00 O+0 HETATM 6 N UNK 0 -16.101 -5.731 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 -15.940 -4.200 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -14.606 -3.430 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -13.273 -4.200 0.000 0.00 0.00 O+0 HETATM 10 N UNK 0 -14.606 -1.890 0.000 0.00 0.00 N+0 HETATM 11 C UNK 0 -13.273 -1.120 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -11.939 -1.890 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 -10.605 -1.120 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 -9.272 -1.890 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -7.938 -1.120 0.000 0.00 0.00 C+0 HETATM 16 N UNK 0 -6.604 -1.890 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 -5.270 -1.120 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -3.937 -1.890 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 -2.603 -1.120 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 -1.269 -1.890 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 0.064 -1.120 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 1.398 -1.890 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 2.731 -1.120 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 4.065 -1.890 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 4.065 -3.430 0.000 0.00 0.00 O+0 HETATM 26 N UNK 0 5.399 -1.120 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 6.733 -1.890 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 8.066 -1.120 0.000 0.00 0.00 C+0 HETATM 29 N UNK 0 9.400 -1.890 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 10.734 -1.120 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 12.067 -1.890 0.000 0.00 0.00 C+0 HETATM 32 N UNK 0 13.401 -1.120 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 14.808 -1.746 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 15.838 -0.602 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 15.068 0.732 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 13.562 0.412 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 15.128 -3.253 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 13.984 -4.283 0.000 0.00 0.00 O+0 HETATM 39 N UNK 0 16.593 -3.728 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 16.913 -5.235 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 18.377 -5.711 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 12.067 -3.430 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 10.734 0.420 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 12.067 1.190 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 12.067 2.730 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 13.401 3.500 0.000 0.00 0.00 N+0 HETATM 47 C UNK 0 13.401 5.040 0.000 0.00 0.00 C+0 HETATM 48 N UNK 0 12.067 5.810 0.000 0.00 0.00 N+0 HETATM 49 N UNK 0 14.735 5.810 0.000 0.00 0.00 N+0 HETATM 50 O UNK 0 8.066 0.420 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 6.733 -3.430 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 8.066 -4.200 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 8.066 -5.740 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 9.400 -3.430 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 2.731 0.420 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 4.065 1.190 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 4.065 2.730 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 5.399 0.420 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 0.064 0.420 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 -1.269 -3.430 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 0.064 -4.200 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 0.064 -5.740 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 1.398 -6.510 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 2.731 -5.740 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 2.731 -4.200 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 1.398 -3.430 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 4.065 -6.510 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 -3.937 -3.430 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 -5.270 0.420 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 -3.937 1.190 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 -7.938 0.420 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 -9.272 -3.430 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -7.825 -3.957 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -6.548 -3.095 0.000 0.00 0.00 C+0 HETATM 75 N UNK 0 -5.334 -4.044 0.000 0.00 0.00 N+0 HETATM 76 C UNK 0 -5.861 -5.491 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -7.400 -5.437 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -8.216 -6.743 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -7.493 -8.103 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -5.954 -8.157 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -5.138 -6.851 0.000 0.00 0.00 C+0 HETATM 82 O UNK 0 -11.939 -3.430 0.000 0.00 0.00 O+0 HETATM 83 C UNK 0 -13.273 0.420 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 -14.606 1.190 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -14.767 2.721 0.000 0.00 0.00 C+0 HETATM 86 N UNK 0 -16.274 3.042 0.000 0.00 0.00 N+0 HETATM 87 C UNK 0 -17.044 1.708 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 -16.013 0.564 0.000 0.00 0.00 N+0 HETATM 89 C UNK 0 -17.347 -3.574 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 -18.377 -4.718 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 -17.607 -6.052 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 -18.234 -7.459 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 3 4 5 1 CONECT 3 2 CONECT 4 2 CONECT 5 2 CONECT 6 7 91 CONECT 7 6 8 89 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 CONECT 11 10 12 83 CONECT 12 11 13 82 CONECT 13 12 14 CONECT 14 13 15 72 CONECT 15 14 16 71 CONECT 16 15 17 CONECT 17 16 18 69 CONECT 18 17 19 68 CONECT 19 18 20 CONECT 20 19 21 60 CONECT 21 20 22 59 CONECT 22 21 23 CONECT 23 22 24 55 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 51 CONECT 28 27 29 50 CONECT 29 28 30 CONECT 30 29 31 43 CONECT 31 30 32 42 CONECT 32 31 33 36 CONECT 33 32 34 37 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 32 CONECT 37 33 38 39 CONECT 38 37 CONECT 39 37 40 CONECT 40 39 41 CONECT 41 40 CONECT 42 31 CONECT 43 30 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 CONECT 50 28 CONECT 51 27 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 CONECT 55 23 56 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 CONECT 59 21 CONECT 60 20 61 CONECT 61 60 62 66 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 67 CONECT 65 64 66 CONECT 66 65 61 CONECT 67 64 CONECT 68 18 CONECT 69 17 70 CONECT 70 69 CONECT 71 15 CONECT 72 14 73 CONECT 73 72 74 77 CONECT 74 73 75 CONECT 75 74 76 CONECT 76 75 77 81 CONECT 77 76 73 78 CONECT 78 77 79 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 76 CONECT 82 12 CONECT 83 11 84 CONECT 84 83 85 88 CONECT 85 84 86 CONECT 86 85 87 CONECT 87 86 88 CONECT 88 87 84 CONECT 89 7 90 CONECT 90 89 91 CONECT 91 90 6 92 CONECT 92 91 MASTER 0 0 0 0 0 0 0 0 92 0 192 0 END