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 4.890 -1.028 -0.771 0.00 0.00 C+0 HETATM 2 C UNK 0 3.937 0.071 -0.281 0.00 0.00 C+0 HETATM 3 C UNK 0 3.648 1.071 -1.439 0.00 0.00 C+0 HETATM 4 N UNK 0 2.362 0.835 -2.146 0.00 0.00 N+0 HETATM 5 C UNK 0 2.297 1.640 -3.385 0.00 0.00 C+0 HETATM 6 C UNK 0 1.260 2.770 -3.367 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.153 2.222 -3.111 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.178 3.340 -2.768 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.933 3.877 -1.368 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.075 2.944 -0.407 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.017 3.193 1.080 0.00 0.00 C+0 HETATM 12 C UNK 0 0.272 2.628 1.679 0.00 0.00 C+0 HETATM 13 C UNK 0 0.385 2.668 3.176 0.00 0.00 C+0 HETATM 14 C UNK 0 1.494 2.957 3.881 0.00 0.00 C+0 HETATM 15 C UNK 0 2.829 3.432 3.362 0.00 0.00 C+0 HETATM 16 C UNK 0 3.827 2.332 2.954 0.00 0.00 C+0 HETATM 17 C UNK 0 3.442 1.673 1.626 0.00 0.00 C+0 HETATM 18 C UNK 0 4.503 0.764 0.988 0.00 0.00 C+0 HETATM 19 O UNK 0 5.658 1.520 0.640 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.333 1.532 -0.954 0.00 0.00 C+0 HETATM 21 N UNK 0 -2.598 1.545 -1.746 0.00 0.00 N+0 HETATM 22 C UNK 0 -3.839 1.448 -0.973 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.377 0.004 -0.933 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.519 -0.931 -0.091 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.914 -2.401 -0.199 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.870 -3.238 0.512 0.00 0.00 C+0 HETATM 27 N UNK 0 -3.072 -3.356 1.849 0.00 0.00 N+0 HETATM 28 C UNK 0 -2.153 -4.001 2.587 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.396 -4.106 3.955 0.00 0.00 C+0 HETATM 30 O UNK 0 -3.543 -3.550 4.474 0.00 0.00 O+0 HETATM 31 C UNK 0 -1.534 -4.751 4.831 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.378 -5.321 4.325 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.103 -5.231 2.956 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.978 -4.567 2.054 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.767 -4.433 0.647 0.00 0.00 C+0 HETATM 36 C UNK 0 0.475 -5.022 -0.013 0.00 0.00 C+0 HETATM 37 C UNK 0 0.259 -6.415 -0.625 0.00 0.00 C+0 HETATM 38 N UNK 0 0.079 -7.462 0.380 0.00 0.00 N+0 HETATM 39 C UNK 0 -1.739 -3.760 -0.137 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.589 -3.653 -1.599 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.904 -2.718 -2.279 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.176 -1.513 -1.738 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.450 -0.279 -2.620 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.168 1.126 -1.973 0.00 0.00 C+0 HETATM 45 C UNK 0 1.213 1.118 -1.259 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.587 2.680 -2.707 0.00 0.00 C+0 HETATM 47 H UNK 0 5.062 -1.770 0.016 0.00 0.00 H+0 HETATM 48 H UNK 0 4.465 -1.551 -1.635 0.00 0.00 H+0 HETATM 49 H UNK 0 5.862 -0.618 -1.065 0.00 0.00 H+0 HETATM 50 H UNK 0 3.021 -0.448 0.021 0.00 0.00 H+0 HETATM 51 H UNK 0 3.681 2.112 -1.099 0.00 0.00 H+0 HETATM 52 H UNK 0 4.465 0.981 -2.167 0.00 0.00 H+0 HETATM 53 H UNK 0 2.051 0.955 -4.206 0.00 0.00 H+0 HETATM 54 H UNK 0 3.273 2.067 -3.648 0.00 0.00 H+0 HETATM 55 H UNK 0 1.545 3.515 -2.614 0.00 0.00 H+0 HETATM 56 H UNK 0 1.274 3.292 -4.332 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.485 1.763 -4.053 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.163 4.147 -3.507 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.752 4.927 -1.179 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.073 4.269 1.287 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.895 2.739 1.555 0.00 0.00 H+0 HETATM 62 H UNK 0 1.109 3.158 1.220 0.00 0.00 H+0 HETATM 63 H UNK 0 0.348 1.571 1.403 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.497 2.344 3.727 0.00 0.00 H+0 HETATM 65 H UNK 0 1.432 2.874 4.966 0.00 0.00 H+0 HETATM 66 H UNK 0 2.686 4.138 2.536 0.00 0.00 H+0 HETATM 67 H UNK 0 3.289 4.024 4.165 0.00 0.00 H+0 HETATM 68 H UNK 0 3.906 1.572 3.741 0.00 0.00 H+0 HETATM 69 H UNK 0 4.814 2.798 2.858 0.00 0.00 H+0 HETATM 70 H UNK 0 2.538 1.076 1.784 0.00 0.00 H+0 HETATM 71 H UNK 0 3.207 2.480 0.926 0.00 0.00 H+0 HETATM 72 H UNK 0 4.806 -0.003 1.712 0.00 0.00 H+0 HETATM 73 H UNK 0 6.126 1.740 1.464 0.00 0.00 H+0 HETATM 74 H UNK 0 -1.360 0.815 -0.131 0.00 0.00 H+0 HETATM 75 H UNK 0 -4.629 2.044 -1.447 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.726 1.848 0.041 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.394 0.018 -0.523 0.00 0.00 H+0 HETATM 78 H UNK 0 -4.458 -0.380 -1.957 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.488 -0.849 -0.418 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.541 -0.607 0.957 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.026 -2.712 -1.243 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.891 -2.560 0.274 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.985 -3.164 3.688 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.769 -4.808 5.889 0.00 0.00 H+0 HETATM 85 H UNK 0 0.312 -5.839 4.986 0.00 0.00 H+0 HETATM 86 H UNK 0 0.809 -5.707 2.602 0.00 0.00 H+0 HETATM 87 H UNK 0 1.321 -5.041 0.683 0.00 0.00 H+0 HETATM 88 H UNK 0 0.826 -4.344 -0.800 0.00 0.00 H+0 HETATM 89 H UNK 0 1.139 -6.672 -1.225 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.603 -6.417 -1.300 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.764 -7.266 0.922 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.094 -8.351 -0.089 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.077 -4.453 -2.153 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.864 -2.828 -3.363 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.446 -1.325 -0.697 0.00 0.00 H+0 HETATM 96 H UNK 0 0.898 -1.732 -1.753 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.483 -0.313 -2.989 0.00 0.00 H+0 HETATM 98 H UNK 0 0.166 -0.390 -3.523 0.00 0.00 H+0 HETATM 99 H UNK 0 1.386 2.089 -0.783 0.00 0.00 H+0 HETATM 100 H UNK 0 1.178 0.387 -0.447 0.00 0.00 H+0 HETATM 101 H UNK 0 -2.871 2.301 -3.696 0.00 0.00 H+0 HETATM 102 H UNK 0 -3.320 3.451 -2.433 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 3 18 1 50 CONECT 3 4 2 51 52 CONECT 4 5 45 3 CONECT 5 6 4 53 54 CONECT 6 7 5 55 56 CONECT 7 6 8 44 57 CONECT 8 9 7 46 58 CONECT 9 10 8 59 CONECT 10 11 9 20 CONECT 11 10 12 60 61 CONECT 12 13 11 62 63 CONECT 13 14 12 64 CONECT 14 15 13 65 CONECT 15 16 14 66 67 CONECT 16 17 15 68 69 CONECT 17 18 16 70 71 CONECT 18 2 17 19 72 CONECT 19 18 73 CONECT 20 21 44 10 74 CONECT 21 46 20 22 CONECT 22 21 23 75 76 CONECT 23 24 22 77 78 CONECT 24 25 23 79 80 CONECT 25 26 24 81 82 CONECT 26 27 39 25 CONECT 27 28 26 CONECT 28 34 27 29 CONECT 29 31 28 30 CONECT 30 29 83 CONECT 31 32 29 84 CONECT 32 33 31 85 CONECT 33 32 34 86 CONECT 34 33 28 35 CONECT 35 39 34 36 CONECT 36 35 37 87 88 CONECT 37 36 38 89 90 CONECT 38 37 91 92 CONECT 39 40 26 35 CONECT 40 39 41 93 CONECT 41 40 42 94 CONECT 42 41 43 95 96 CONECT 43 42 44 97 98 CONECT 44 45 43 7 20 CONECT 45 44 4 99 100 CONECT 46 21 8 101 102 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 2 CONECT 51 3 CONECT 52 3 CONECT 53 5 CONECT 54 5 CONECT 55 6 CONECT 56 6 CONECT 57 7 CONECT 58 8 CONECT 59 9 CONECT 60 11 CONECT 61 11 CONECT 62 12 CONECT 63 12 CONECT 64 13 CONECT 65 14 CONECT 66 15 CONECT 67 15 CONECT 68 16 CONECT 69 16 CONECT 70 17 CONECT 71 17 CONECT 72 18 CONECT 73 19 CONECT 74 20 CONECT 75 22 CONECT 76 22 CONECT 77 23 CONECT 78 23 CONECT 79 24 CONECT 80 24 CONECT 81 25 CONECT 82 25 CONECT 83 30 CONECT 84 31 CONECT 85 32 CONECT 86 33 CONECT 87 36 CONECT 88 36 CONECT 89 37 CONECT 90 37 CONECT 91 38 CONECT 92 38 CONECT 93 40 CONECT 94 41 CONECT 95 42 CONECT 96 42 CONECT 97 43 CONECT 98 43 CONECT 99 45 CONECT 100 45 CONECT 101 46 CONECT 102 46 MASTER 0 0 0 0 0 0 0 0 102 0 216 0 END