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 -4.882 -3.384 9.103 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.792 -4.076 9.479 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.337 -4.049 10.917 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.936 -4.932 8.565 0.00 0.00 C+0 HETATM 5 O UNK 0 -3.218 -6.295 8.886 0.00 0.00 O+0 HETATM 6 C UNK 0 -3.098 -4.768 7.043 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.588 -3.415 6.527 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.553 -3.304 4.976 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.979 -3.374 4.416 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.823 -1.994 4.544 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.370 -1.921 5.097 0.00 0.00 C+0 HETATM 12 C UNK 0 0.486 -1.171 4.066 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.522 -0.548 3.084 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.991 0.798 3.720 0.00 0.00 C+0 HETATM 15 C UNK 0 0.046 -0.308 1.659 0.00 0.00 C+0 HETATM 16 C UNK 0 1.081 0.823 1.587 0.00 0.00 C+0 HETATM 17 C UNK 0 1.626 0.965 0.168 0.00 0.00 C+0 HETATM 18 C UNK 0 0.527 1.498 -0.763 0.00 0.00 C+0 HETATM 19 C UNK 0 0.971 1.740 -2.248 0.00 0.00 C+0 HETATM 20 C UNK 0 2.172 2.717 -2.296 0.00 0.00 C+0 HETATM 21 C UNK 0 1.424 0.442 -2.952 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.220 2.410 -3.010 0.00 0.00 C+0 HETATM 23 O UNK 0 0.118 2.537 -4.408 0.00 0.00 O+0 HETATM 24 C UNK 0 -0.468 3.554 -5.083 0.00 0.00 C+0 HETATM 25 O UNK 0 -1.255 4.368 -4.626 0.00 0.00 O+0 HETATM 26 C UNK 0 -0.041 3.587 -6.498 0.00 0.00 C+0 HETATM 27 C UNK 0 0.816 2.715 -7.050 0.00 0.00 C+0 HETATM 28 C UNK 0 1.239 2.770 -8.457 0.00 0.00 C+0 HETATM 29 C UNK 0 0.340 3.070 -9.491 0.00 0.00 C+0 HETATM 30 C UNK 0 0.769 3.087 -10.818 0.00 0.00 C+0 HETATM 31 C UNK 0 2.094 2.793 -11.107 0.00 0.00 C+0 HETATM 32 O UNK 0 2.489 2.815 -12.417 0.00 0.00 O+0 HETATM 33 C UNK 0 3.010 2.476 -10.100 0.00 0.00 C+0 HETATM 34 O UNK 0 4.281 2.203 -10.540 0.00 0.00 O+0 HETATM 35 C UNK 0 5.247 1.888 -9.544 0.00 0.00 C+0 HETATM 36 C UNK 0 2.574 2.460 -8.773 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.526 1.617 -2.888 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.905 1.380 -1.431 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.776 0.685 -0.686 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.772 -0.821 -0.735 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.069 -0.145 0.596 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.518 -0.185 1.091 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.846 -1.083 2.298 0.00 0.00 C+0 HETATM 44 C UNK 0 -1.628 -1.662 3.027 0.00 0.00 C+0 HETATM 45 C UNK 0 -1.186 -2.954 2.276 0.00 0.00 C+0 HETATM 46 H UNK 0 -5.449 -2.792 9.816 0.00 0.00 H+0 HETATM 47 H UNK 0 -5.253 -3.383 8.083 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.347 -5.058 11.341 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.980 -3.421 11.543 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.319 -3.652 10.985 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.880 -4.762 8.809 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.185 -6.395 8.846 0.00 0.00 H+0 HETATM 53 H UNK 0 -2.538 -5.573 6.548 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.145 -4.936 6.766 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.197 -2.599 6.930 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.579 -3.275 6.928 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.991 -4.167 4.597 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.982 -3.438 3.327 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.564 -2.498 4.713 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.509 -4.266 4.761 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.395 -1.177 5.004 0.00 0.00 H+0 HETATM 62 H UNK 0 0.057 -2.916 5.264 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.360 -1.392 6.057 0.00 0.00 H+0 HETATM 64 H UNK 0 1.154 -1.878 3.560 0.00 0.00 H+0 HETATM 65 H UNK 0 1.132 -0.430 4.551 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.134 1.440 3.954 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.524 0.667 4.665 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.644 1.375 3.062 0.00 0.00 H+0 HETATM 69 H UNK 0 0.602 -1.217 1.389 0.00 0.00 H+0 HETATM 70 H UNK 0 1.912 0.609 2.269 0.00 0.00 H+0 HETATM 71 H UNK 0 0.649 1.782 1.891 0.00 0.00 H+0 HETATM 72 H UNK 0 2.467 1.664 0.198 0.00 0.00 H+0 HETATM 73 H UNK 0 2.020 0.003 -0.176 0.00 0.00 H+0 HETATM 74 H UNK 0 0.267 2.490 -0.359 0.00 0.00 H+0 HETATM 75 H UNK 0 2.425 2.991 -3.326 0.00 0.00 H+0 HETATM 76 H UNK 0 1.950 3.642 -1.753 0.00 0.00 H+0 HETATM 77 H UNK 0 3.072 2.275 -1.858 0.00 0.00 H+0 HETATM 78 H UNK 0 0.618 -0.291 -3.037 0.00 0.00 H+0 HETATM 79 H UNK 0 2.253 -0.036 -2.420 0.00 0.00 H+0 HETATM 80 H UNK 0 1.780 0.644 -3.968 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.373 3.410 -2.580 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.480 4.402 -7.064 0.00 0.00 H+0 HETATM 83 H UNK 0 1.263 1.920 -6.457 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.706 3.283 -9.279 0.00 0.00 H+0 HETATM 85 H UNK 0 0.075 3.321 -11.620 0.00 0.00 H+0 HETATM 86 H UNK 0 3.438 2.582 -12.398 0.00 0.00 H+0 HETATM 87 H UNK 0 4.974 0.974 -9.006 0.00 0.00 H+0 HETATM 88 H UNK 0 6.200 1.704 -10.050 0.00 0.00 H+0 HETATM 89 H UNK 0 5.392 2.726 -8.854 0.00 0.00 H+0 HETATM 90 H UNK 0 3.256 2.218 -7.965 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.437 0.662 -3.420 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.338 2.154 -3.392 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.127 2.335 -0.940 0.00 0.00 H+0 HETATM 94 H UNK 0 -2.830 0.795 -1.417 0.00 0.00 H+0 HETATM 95 H UNK 0 0.171 -1.343 -0.861 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.583 -1.331 -1.247 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.822 0.843 1.325 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.186 -0.497 0.279 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.466 -0.503 2.994 0.00 0.00 H+0 HETATM 100 H UNK 0 -3.501 -1.887 1.945 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.983 -2.781 1.217 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.289 -3.407 2.711 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.971 -3.716 2.301 0.00 0.00 H+0 CONECT 1 2 46 47 CONECT 2 4 3 1 CONECT 3 2 48 49 50 CONECT 4 6 2 5 51 CONECT 5 4 52 CONECT 6 7 4 53 54 CONECT 7 8 6 55 56 CONECT 8 10 7 9 57 CONECT 9 8 58 59 60 CONECT 10 11 44 8 61 CONECT 11 12 10 62 63 CONECT 12 13 11 64 65 CONECT 13 12 14 15 44 CONECT 14 13 66 67 68 CONECT 15 13 16 41 69 CONECT 16 17 15 70 71 CONECT 17 18 16 72 73 CONECT 18 39 17 74 19 CONECT 19 20 18 22 21 CONECT 20 19 75 76 77 CONECT 21 19 78 79 80 CONECT 22 23 37 19 81 CONECT 23 22 24 CONECT 24 23 26 25 CONECT 25 24 CONECT 26 24 27 82 CONECT 27 26 28 83 CONECT 28 29 36 27 CONECT 29 28 30 84 CONECT 30 31 29 85 CONECT 31 30 33 32 CONECT 32 31 86 CONECT 33 36 31 34 CONECT 34 33 35 CONECT 35 34 87 88 89 CONECT 36 28 33 90 CONECT 37 38 22 91 92 CONECT 38 39 37 93 94 CONECT 39 18 38 40 41 CONECT 40 39 41 95 96 CONECT 41 42 15 39 40 CONECT 42 41 43 97 98 CONECT 43 42 44 99 100 CONECT 44 10 45 43 13 CONECT 45 44 101 102 103 CONECT 46 1 CONECT 47 1 CONECT 48 3 CONECT 49 3 CONECT 50 3 CONECT 51 4 CONECT 52 5 CONECT 53 6 CONECT 54 6 CONECT 55 7 CONECT 56 7 CONECT 57 8 CONECT 58 9 CONECT 59 9 CONECT 60 9 CONECT 61 10 CONECT 62 11 CONECT 63 11 CONECT 64 12 CONECT 65 12 CONECT 66 14 CONECT 67 14 CONECT 68 14 CONECT 69 15 CONECT 70 16 CONECT 71 16 CONECT 72 17 CONECT 73 17 CONECT 74 18 CONECT 75 20 CONECT 76 20 CONECT 77 20 CONECT 78 21 CONECT 79 21 CONECT 80 21 CONECT 81 22 CONECT 82 26 CONECT 83 27 CONECT 84 29 CONECT 85 30 CONECT 86 32 CONECT 87 35 CONECT 88 35 CONECT 89 35 CONECT 90 36 CONECT 91 37 CONECT 92 37 CONECT 93 38 CONECT 94 38 CONECT 95 40 CONECT 96 40 CONECT 97 42 CONECT 98 42 CONECT 99 43 CONECT 100 43 CONECT 101 45 CONECT 102 45 CONECT 103 45 MASTER 0 0 0 0 0 0 0 0 103 0 216 0 END