HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 2.535 -5.230 -0.635 0.00 0.00 C+0 HETATM 2 C UNK 0 2.932 -3.786 -0.602 0.00 0.00 C+0 HETATM 3 O UNK 0 4.040 -3.366 -0.900 0.00 0.00 O+0 HETATM 4 O UNK 0 1.876 -3.026 -0.199 0.00 0.00 O+0 HETATM 5 C UNK 0 2.132 -1.617 -0.121 0.00 0.00 C+0 HETATM 6 C UNK 0 2.119 -0.977 -1.519 0.00 0.00 C+0 HETATM 7 C UNK 0 1.044 0.143 -1.504 0.00 0.00 C+0 HETATM 8 C UNK 0 1.352 1.253 -2.551 0.00 0.00 C+0 HETATM 9 C UNK 0 0.410 2.461 -2.424 0.00 0.00 C+0 HETATM 10 C UNK 0 1.203 0.711 -3.970 0.00 0.00 C+0 HETATM 11 C UNK 0 1.768 1.530 -5.102 0.00 0.00 C+0 HETATM 12 C UNK 0 2.316 0.139 -4.869 0.00 0.00 C+0 HETATM 13 C UNK 0 3.737 0.047 -4.363 0.00 0.00 C+0 HETATM 14 C UNK 0 1.893 -0.951 -5.886 0.00 0.00 C+0 HETATM 15 C UNK 0 1.668 -2.284 -5.155 0.00 0.00 C+0 HETATM 16 C UNK 0 2.876 -1.095 -7.088 0.00 0.00 C+0 HETATM 17 C UNK 0 2.442 -2.196 -8.066 0.00 0.00 C+0 HETATM 18 C UNK 0 3.016 0.215 -7.875 0.00 0.00 C+0 HETATM 19 C UNK 0 0.955 0.499 0.015 0.00 0.00 C+0 HETATM 20 C UNK 0 2.144 1.383 0.456 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.376 1.108 0.471 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.511 1.179 2.006 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.886 1.553 2.282 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.180 2.884 2.203 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.635 3.101 2.482 0.00 0.00 C+0 HETATM 26 O UNK 0 -1.381 3.775 1.956 0.00 0.00 O+0 HETATM 27 C UNK 0 -0.216 -0.167 2.744 0.00 0.00 C+0 HETATM 28 C UNK 0 1.008 -0.945 2.154 0.00 0.00 C+0 HETATM 29 C UNK 0 1.010 -2.395 2.662 0.00 0.00 C+0 HETATM 30 C UNK 0 0.715 -2.538 4.110 0.00 0.00 C+0 HETATM 31 O UNK 0 1.550 -1.792 4.988 0.00 0.00 O+0 HETATM 32 C UNK 0 0.157 -1.404 4.948 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.647 -1.823 6.154 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.902 -0.694 7.144 0.00 0.00 C+0 HETATM 35 O UNK 0 0.289 -0.452 7.897 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.376 0.610 6.506 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.378 0.596 4.973 0.00 0.00 C+0 HETATM 38 O UNK 0 -2.554 -0.094 4.542 0.00 0.00 O+0 HETATM 39 C UNK 0 -0.085 -0.013 4.331 0.00 0.00 C+0 HETATM 40 C UNK 0 1.090 0.933 4.710 0.00 0.00 C+0 HETATM 41 C UNK 0 0.981 -0.925 0.615 0.00 0.00 C+0 HETATM 42 H UNK 0 2.221 -5.551 0.362 0.00 0.00 H+0 HETATM 43 H UNK 0 1.730 -5.377 -1.359 0.00 0.00 H+0 HETATM 44 H UNK 0 3.394 -5.835 -0.940 0.00 0.00 H+0 HETATM 45 H UNK 0 3.084 -1.434 0.395 0.00 0.00 H+0 HETATM 46 H UNK 0 1.911 -1.707 -2.304 0.00 0.00 H+0 HETATM 47 H UNK 0 3.112 -0.556 -1.708 0.00 0.00 H+0 HETATM 48 H UNK 0 0.090 -0.324 -1.792 0.00 0.00 H+0 HETATM 49 H UNK 0 2.371 1.623 -2.397 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.640 2.146 -2.425 0.00 0.00 H+0 HETATM 51 H UNK 0 0.607 3.034 -1.516 0.00 0.00 H+0 HETATM 52 H UNK 0 0.540 3.157 -3.260 0.00 0.00 H+0 HETATM 53 H UNK 0 0.201 0.314 -4.121 0.00 0.00 H+0 HETATM 54 H UNK 0 2.407 2.376 -4.872 0.00 0.00 H+0 HETATM 55 H UNK 0 1.123 1.711 -5.956 0.00 0.00 H+0 HETATM 56 H UNK 0 4.452 0.218 -5.174 0.00 0.00 H+0 HETATM 57 H UNK 0 3.961 0.794 -3.597 0.00 0.00 H+0 HETATM 58 H UNK 0 3.940 -0.940 -3.937 0.00 0.00 H+0 HETATM 59 H UNK 0 0.916 -0.663 -6.300 0.00 0.00 H+0 HETATM 60 H UNK 0 1.206 -3.028 -5.811 0.00 0.00 H+0 HETATM 61 H UNK 0 0.987 -2.153 -4.309 0.00 0.00 H+0 HETATM 62 H UNK 0 2.606 -2.698 -4.774 0.00 0.00 H+0 HETATM 63 H UNK 0 3.869 -1.371 -6.715 0.00 0.00 H+0 HETATM 64 H UNK 0 2.510 -3.187 -7.607 0.00 0.00 H+0 HETATM 65 H UNK 0 1.413 -2.042 -8.407 0.00 0.00 H+0 HETATM 66 H UNK 0 3.091 -2.213 -8.948 0.00 0.00 H+0 HETATM 67 H UNK 0 3.672 0.080 -8.742 0.00 0.00 H+0 HETATM 68 H UNK 0 3.458 1.008 -7.265 0.00 0.00 H+0 HETATM 69 H UNK 0 2.044 0.563 -8.240 0.00 0.00 H+0 HETATM 70 H UNK 0 2.203 1.500 1.541 0.00 0.00 H+0 HETATM 71 H UNK 0 2.063 2.392 0.040 0.00 0.00 H+0 HETATM 72 H UNK 0 3.108 0.979 0.132 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.219 0.531 0.065 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.508 2.114 0.066 0.00 0.00 H+0 HETATM 75 H UNK 0 0.160 1.954 2.387 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.238 2.540 1.762 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.867 2.789 3.503 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.870 4.164 2.377 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.092 -0.810 2.563 0.00 0.00 H+0 HETATM 80 H UNK 0 1.940 -0.479 2.486 0.00 0.00 H+0 HETATM 81 H UNK 0 0.256 -2.976 2.116 0.00 0.00 H+0 HETATM 82 H UNK 0 1.979 -2.863 2.456 0.00 0.00 H+0 HETATM 83 H UNK 0 0.501 -3.563 4.385 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.608 -2.218 5.801 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.140 -2.647 6.672 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.649 -1.036 7.871 0.00 0.00 H+0 HETATM 87 H UNK 0 0.067 0.169 8.611 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.767 1.450 6.863 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.400 0.806 6.851 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.498 1.641 4.667 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.712 0.170 3.616 0.00 0.00 H+0 HETATM 92 H UNK 0 1.291 0.914 5.786 0.00 0.00 H+0 HETATM 93 H UNK 0 2.030 0.657 4.226 0.00 0.00 H+0 HETATM 94 H UNK 0 0.876 1.973 4.442 0.00 0.00 H+0 HETATM 95 H UNK 0 0.055 -1.447 0.321 0.00 0.00 H+0 CONECT 1 2 42 43 44 CONECT 2 4 1 3 CONECT 3 2 CONECT 4 5 2 CONECT 5 41 6 4 45 CONECT 6 5 7 46 47 CONECT 7 6 19 8 48 CONECT 8 9 10 7 49 CONECT 9 8 50 51 52 CONECT 10 8 12 11 53 CONECT 11 10 12 54 55 CONECT 12 10 14 11 13 CONECT 13 12 56 57 58 CONECT 14 12 16 15 59 CONECT 15 14 60 61 62 CONECT 16 14 17 18 63 CONECT 17 16 64 65 66 CONECT 18 16 67 68 69 CONECT 19 21 7 41 20 CONECT 20 19 70 71 72 CONECT 21 19 22 73 74 CONECT 22 27 21 23 75 CONECT 23 22 24 CONECT 24 23 26 25 CONECT 25 24 76 77 78 CONECT 26 24 CONECT 27 22 28 39 79 CONECT 28 29 41 27 80 CONECT 29 28 30 81 82 CONECT 30 31 32 29 83 CONECT 31 32 30 CONECT 32 33 39 31 30 CONECT 33 34 32 84 85 CONECT 34 36 33 35 86 CONECT 35 34 87 CONECT 36 34 37 88 89 CONECT 37 36 39 38 90 CONECT 38 37 91 CONECT 39 37 32 40 27 CONECT 40 39 92 93 94 CONECT 41 5 28 19 95 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 5 CONECT 46 6 CONECT 47 6 CONECT 48 7 CONECT 49 8 CONECT 50 9 CONECT 51 9 CONECT 52 9 CONECT 53 10 CONECT 54 11 CONECT 55 11 CONECT 56 13 CONECT 57 13 CONECT 58 13 CONECT 59 14 CONECT 60 15 CONECT 61 15 CONECT 62 15 CONECT 63 16 CONECT 64 17 CONECT 65 17 CONECT 66 17 CONECT 67 18 CONECT 68 18 CONECT 69 18 CONECT 70 20 CONECT 71 20 CONECT 72 20 CONECT 73 21 CONECT 74 21 CONECT 75 22 CONECT 76 25 CONECT 77 25 CONECT 78 25 CONECT 79 27 CONECT 80 28 CONECT 81 29 CONECT 82 29 CONECT 83 30 CONECT 84 33 CONECT 85 33 CONECT 86 34 CONECT 87 35 CONECT 88 36 CONECT 89 36 CONECT 90 37 CONECT 91 38 CONECT 92 40 CONECT 93 40 CONECT 94 40 CONECT 95 41 MASTER 0 0 0 0 0 0 0 0 95 0 200 0 END