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 -1.149 -1.172 3.745 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.174 -0.403 4.250 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.160 1.112 4.419 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.264 1.403 5.933 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.355 1.788 3.724 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.465 1.857 4.267 0.00 0.00 O+0 HETATM 7 C UNK 0 -1.120 2.454 2.351 0.00 0.00 C+0 HETATM 8 O UNK 0 -0.729 3.799 2.668 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.007 1.751 1.525 0.00 0.00 C+0 HETATM 10 C UNK 0 1.316 1.564 2.334 0.00 0.00 C+0 HETATM 11 O UNK 0 1.803 0.220 2.069 0.00 0.00 O+0 HETATM 12 C UNK 0 3.141 0.026 2.221 0.00 0.00 C+0 HETATM 13 O UNK 0 3.951 0.902 2.488 0.00 0.00 O+0 HETATM 14 C UNK 0 3.498 -1.407 2.069 0.00 0.00 C+0 HETATM 15 C UNK 0 2.547 -2.429 2.185 0.00 0.00 C+0 HETATM 16 C UNK 0 2.937 -3.765 2.068 0.00 0.00 C+0 HETATM 17 C UNK 0 4.274 -4.085 1.832 0.00 0.00 C+0 HETATM 18 C UNK 0 5.225 -3.072 1.718 0.00 0.00 C+0 HETATM 19 C UNK 0 4.840 -1.735 1.840 0.00 0.00 C+0 HETATM 20 C UNK 0 1.130 1.771 3.862 0.00 0.00 C+0 HETATM 21 O UNK 0 2.276 1.344 4.612 0.00 0.00 O+0 HETATM 22 C UNK 0 0.208 2.438 0.081 0.00 0.00 C+0 HETATM 23 C UNK 0 0.779 3.874 0.259 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.202 2.437 -0.656 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.288 3.137 0.195 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.457 2.472 1.568 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.912 1.111 1.379 0.00 0.00 O+0 HETATM 28 C UNK 0 -4.251 0.947 1.193 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.568 -0.510 1.047 0.00 0.00 C+0 HETATM 30 O UNK 0 -5.079 1.844 1.141 0.00 0.00 O+0 HETATM 31 C UNK 0 -1.204 2.878 -2.173 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.000 4.393 -2.382 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.584 2.546 -2.810 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.113 2.090 -2.954 0.00 0.00 C+0 HETATM 35 O UNK 0 -0.534 0.732 -3.152 0.00 0.00 O+0 HETATM 36 C UNK 0 1.264 2.118 -2.265 0.00 0.00 C+0 HETATM 37 O UNK 0 2.158 1.316 -3.076 0.00 0.00 O+0 HETATM 38 C UNK 0 3.481 1.619 -2.944 0.00 0.00 C+0 HETATM 39 C UNK 0 4.312 0.701 -3.787 0.00 0.00 C+0 HETATM 40 O UNK 0 3.926 2.539 -2.272 0.00 0.00 O+0 HETATM 41 C UNK 0 1.209 1.599 -0.797 0.00 0.00 C+0 HETATM 42 O UNK 0 0.742 0.225 -0.783 0.00 0.00 O+0 HETATM 43 C UNK 0 1.638 -0.767 -0.979 0.00 0.00 C+0 HETATM 44 O UNK 0 2.845 -0.634 -1.097 0.00 0.00 O+0 HETATM 45 C UNK 0 0.941 -2.079 -1.054 0.00 0.00 C+0 HETATM 46 C UNK 0 1.714 -3.228 -1.270 0.00 0.00 C+0 HETATM 47 C UNK 0 1.105 -4.482 -1.343 0.00 0.00 C+0 HETATM 48 C UNK 0 -0.277 -4.596 -1.206 0.00 0.00 C+0 HETATM 49 C UNK 0 -1.055 -3.457 -0.996 0.00 0.00 C+0 HETATM 50 C UNK 0 -0.450 -2.200 -0.921 0.00 0.00 C+0 HETATM 51 H UNK 0 -2.094 -0.771 3.394 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.029 -2.251 3.700 0.00 0.00 H+0 HETATM 53 H UNK 0 0.725 -0.905 4.613 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.279 2.482 6.125 0.00 0.00 H+0 HETATM 55 H UNK 0 0.575 0.973 6.493 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.184 0.987 6.361 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.478 4.221 3.135 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.381 0.736 1.326 0.00 0.00 H+0 HETATM 59 H UNK 0 2.083 2.264 1.993 0.00 0.00 H+0 HETATM 60 H UNK 0 1.502 -2.200 2.369 0.00 0.00 H+0 HETATM 61 H UNK 0 2.196 -4.555 2.156 0.00 0.00 H+0 HETATM 62 H UNK 0 4.575 -5.125 1.740 0.00 0.00 H+0 HETATM 63 H UNK 0 6.268 -3.320 1.536 0.00 0.00 H+0 HETATM 64 H UNK 0 5.589 -0.950 1.752 0.00 0.00 H+0 HETATM 65 H UNK 0 1.071 2.852 4.042 0.00 0.00 H+0 HETATM 66 H UNK 0 3.080 1.601 4.111 0.00 0.00 H+0 HETATM 67 H UNK 0 1.355 4.220 -0.600 0.00 0.00 H+0 HETATM 68 H UNK 0 0.001 4.622 0.429 0.00 0.00 H+0 HETATM 69 H UNK 0 1.471 3.953 1.099 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.506 1.380 -0.689 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.070 4.201 0.325 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.249 3.086 -0.324 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.204 3.041 2.137 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.001 -0.932 0.213 0.00 0.00 H+0 HETATM 75 H UNK 0 -4.333 -1.034 1.977 0.00 0.00 H+0 HETATM 76 H UNK 0 -5.634 -0.629 0.836 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.003 4.738 -2.112 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.136 4.656 -3.438 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.726 4.983 -1.814 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.542 2.635 -3.902 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.907 1.526 -2.572 0.00 0.00 H+0 HETATM 82 H UNK 0 -3.368 3.230 -2.469 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.007 2.505 -3.965 0.00 0.00 H+0 HETATM 84 H UNK 0 0.232 0.264 -3.534 0.00 0.00 H+0 HETATM 85 H UNK 0 1.623 3.150 -2.299 0.00 0.00 H+0 HETATM 86 H UNK 0 5.359 0.780 -3.482 0.00 0.00 H+0 HETATM 87 H UNK 0 3.995 -0.335 -3.642 0.00 0.00 H+0 HETATM 88 H UNK 0 4.219 0.983 -4.838 0.00 0.00 H+0 HETATM 89 H UNK 0 2.210 1.637 -0.352 0.00 0.00 H+0 HETATM 90 H UNK 0 2.795 -3.151 -1.371 0.00 0.00 H+0 HETATM 91 H UNK 0 1.712 -5.370 -1.507 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.751 -5.573 -1.266 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.134 -3.547 -0.897 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.076 -1.324 -0.768 0.00 0.00 H+0 CONECT 1 2 51 52 CONECT 2 1 3 53 CONECT 3 5 20 2 4 CONECT 4 3 54 55 56 CONECT 5 7 6 3 CONECT 6 5 CONECT 7 8 5 26 9 CONECT 8 7 57 CONECT 9 10 22 7 58 CONECT 10 9 20 11 59 CONECT 11 12 10 CONECT 12 11 14 13 CONECT 13 12 CONECT 14 12 15 19 CONECT 15 14 16 60 CONECT 16 15 17 61 CONECT 17 16 18 62 CONECT 18 17 19 63 CONECT 19 18 14 64 CONECT 20 3 10 21 65 CONECT 21 20 66 CONECT 22 9 41 24 23 CONECT 23 22 67 68 69 CONECT 24 70 25 31 22 CONECT 25 24 26 71 72 CONECT 26 27 25 7 73 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 74 75 76 CONECT 30 28 CONECT 31 34 32 24 33 CONECT 32 31 77 78 79 CONECT 33 31 80 81 82 CONECT 34 31 35 36 83 CONECT 35 34 84 CONECT 36 41 37 34 85 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 86 87 88 CONECT 40 38 CONECT 41 36 42 22 89 CONECT 42 43 41 CONECT 43 42 45 44 CONECT 44 43 CONECT 45 43 46 50 CONECT 46 45 47 90 CONECT 47 46 48 91 CONECT 48 47 49 92 CONECT 49 48 50 93 CONECT 50 49 45 94 CONECT 51 1 CONECT 52 1 CONECT 53 2 CONECT 54 4 CONECT 55 4 CONECT 56 4 CONECT 57 8 CONECT 58 9 CONECT 59 10 CONECT 60 15 CONECT 61 16 CONECT 62 17 CONECT 63 18 CONECT 64 19 CONECT 65 20 CONECT 66 21 CONECT 67 23 CONECT 68 23 CONECT 69 23 CONECT 70 24 CONECT 71 25 CONECT 72 25 CONECT 73 26 CONECT 74 29 CONECT 75 29 CONECT 76 29 CONECT 77 32 CONECT 78 32 CONECT 79 32 CONECT 80 33 CONECT 81 33 CONECT 82 33 CONECT 83 34 CONECT 84 35 CONECT 85 36 CONECT 86 39 CONECT 87 39 CONECT 88 39 CONECT 89 41 CONECT 90 46 CONECT 91 47 CONECT 92 48 CONECT 93 49 CONECT 94 50 MASTER 0 0 0 0 0 0 0 0 94 0 196 0 END