HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -1.451 -6.829 0.231 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.296 -5.352 -0.113 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.364 -4.625 0.638 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.743 -5.056 0.291 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.175 -3.080 0.469 0.00 0.00 C+0 HETATM 6 N UNK 0 -3.199 -2.387 1.193 0.00 0.00 N+0 HETATM 7 C UNK 0 -3.666 -1.081 1.215 0.00 0.00 C+0 HETATM 8 O UNK 0 -3.267 -0.407 2.279 0.00 0.00 O+0 HETATM 9 C UNK 0 -4.500 -0.273 0.338 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.988 -0.637 0.450 0.00 0.00 C+0 HETATM 11 C UNK 0 -6.290 -2.047 0.107 0.00 0.00 C+0 HETATM 12 C UNK 0 -6.647 -0.117 1.670 0.00 0.00 C+0 HETATM 13 C UNK 0 -6.131 -0.564 2.984 0.00 0.00 C+0 HETATM 14 N UNK 0 -4.133 -0.183 -1.050 0.00 0.00 N+0 HETATM 15 C UNK 0 -3.189 0.627 -1.664 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.473 0.103 -2.573 0.00 0.00 O+0 HETATM 17 C UNK 0 -2.908 2.057 -1.384 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.176 2.863 -1.207 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.142 3.854 -2.356 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.368 3.025 -3.364 0.00 0.00 C+0 HETATM 21 N UNK 0 -2.208 2.686 -2.495 0.00 0.00 N+0 HETATM 22 C UNK 0 -0.829 2.869 -2.637 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.312 2.269 -3.658 0.00 0.00 O+0 HETATM 24 C UNK 0 0.138 3.618 -1.843 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.348 4.197 -0.545 0.00 0.00 C+0 HETATM 26 C UNK 0 0.841 4.914 0.046 0.00 0.00 C+0 HETATM 27 C UNK 0 1.670 4.213 0.893 0.00 0.00 C+0 HETATM 28 C UNK 0 2.784 4.788 1.471 0.00 0.00 C+0 HETATM 29 C UNK 0 3.079 6.103 1.197 0.00 0.00 C+0 HETATM 30 C UNK 0 2.262 6.830 0.349 0.00 0.00 C+0 HETATM 31 C UNK 0 1.157 6.209 -0.207 0.00 0.00 C+0 HETATM 32 N UNK 0 1.464 3.086 -1.758 0.00 0.00 N+0 HETATM 33 C UNK 0 1.987 1.809 -1.984 0.00 0.00 C+0 HETATM 34 O UNK 0 2.750 1.618 -3.026 0.00 0.00 O+0 HETATM 35 C UNK 0 1.803 0.570 -1.177 0.00 0.00 C+0 HETATM 36 N UNK 0 3.007 0.490 -0.305 0.00 0.00 N+0 HETATM 37 C UNK 0 3.994 -0.493 -0.553 0.00 0.00 C+0 HETATM 38 O UNK 0 3.818 -1.271 -1.513 0.00 0.00 O+0 HETATM 39 C UNK 0 5.243 -0.613 0.310 0.00 0.00 C+0 HETATM 40 C UNK 0 5.638 -2.021 0.477 0.00 0.00 C+0 HETATM 41 C UNK 0 5.886 -2.567 -0.956 0.00 0.00 C+0 HETATM 42 C UNK 0 6.910 -2.237 1.198 0.00 0.00 C+0 HETATM 43 C UNK 0 7.009 -1.778 2.615 0.00 0.00 C+0 HETATM 44 N UNK 0 5.094 0.178 1.483 0.00 0.00 N+0 HETATM 45 C UNK 0 4.194 -0.225 2.571 0.00 0.00 C+0 HETATM 46 C UNK 0 5.797 1.417 1.682 0.00 0.00 C+0 HETATM 47 C UNK 0 6.725 1.958 0.665 0.00 0.00 C+0 HETATM 48 O UNK 0 5.626 2.064 2.740 0.00 0.00 O+0 HETATM 49 C UNK 0 0.645 0.543 -0.271 0.00 0.00 C+0 HETATM 50 C UNK 0 -0.001 -0.849 -0.194 0.00 0.00 C+0 HETATM 51 C UNK 0 0.064 -1.595 -1.466 0.00 0.00 C+0 HETATM 52 N UNK 0 -0.987 -2.531 -1.745 0.00 0.00 N+0 HETATM 53 C UNK 0 -2.116 -2.887 -0.976 0.00 0.00 C+0 HETATM 54 O UNK 0 -3.185 -3.051 -1.688 0.00 0.00 O+0 HETATM 55 H UNK 0 -2.219 -7.313 -0.438 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.829 -6.972 1.267 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.494 -7.370 0.116 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.373 -5.221 -1.197 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.319 -5.050 0.324 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.196 -4.781 1.721 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.373 -4.173 0.204 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.794 -5.728 -0.593 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.156 -5.665 1.131 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.140 -2.959 0.865 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.706 -3.059 1.902 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.444 0.810 0.723 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.445 -0.029 -0.405 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.162 -2.763 0.941 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.656 -2.374 -0.724 0.00 0.00 H+0 HETATM 70 H UNK 0 -7.343 -2.084 -0.285 0.00 0.00 H+0 HETATM 71 H UNK 0 -7.773 -0.224 1.609 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.522 1.011 1.638 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.581 0.245 3.534 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.622 -1.543 3.008 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.038 -0.727 3.652 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.683 -0.832 -1.697 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.380 2.089 -0.426 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.045 2.212 -1.412 0.00 0.00 H+0 HETATM 79 H UNK 0 -4.240 3.369 -0.225 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.560 4.729 -2.000 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.155 4.136 -2.705 0.00 0.00 H+0 HETATM 82 H UNK 0 -3.975 2.081 -3.506 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.125 3.507 -4.287 0.00 0.00 H+0 HETATM 84 H UNK 0 0.289 4.582 -2.486 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.628 3.462 0.206 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.114 4.969 -0.757 0.00 0.00 H+0 HETATM 87 H UNK 0 1.477 3.159 1.143 0.00 0.00 H+0 HETATM 88 H UNK 0 3.438 4.248 2.135 0.00 0.00 H+0 HETATM 89 H UNK 0 3.941 6.630 1.614 0.00 0.00 H+0 HETATM 90 H UNK 0 2.473 7.861 0.120 0.00 0.00 H+0 HETATM 91 H UNK 0 0.514 6.776 -0.871 0.00 0.00 H+0 HETATM 92 H UNK 0 2.197 3.833 -1.474 0.00 0.00 H+0 HETATM 93 H UNK 0 1.857 -0.284 -1.905 0.00 0.00 H+0 HETATM 94 H UNK 0 3.123 1.159 0.478 0.00 0.00 H+0 HETATM 95 H UNK 0 6.016 -0.089 -0.323 0.00 0.00 H+0 HETATM 96 H UNK 0 4.785 -2.595 0.929 0.00 0.00 H+0 HETATM 97 H UNK 0 6.074 -1.755 -1.655 0.00 0.00 H+0 HETATM 98 H UNK 0 5.032 -3.192 -1.205 0.00 0.00 H+0 HETATM 99 H UNK 0 6.776 -3.255 -0.924 0.00 0.00 H+0 HETATM 100 H UNK 0 7.797 -1.811 0.617 0.00 0.00 H+0 HETATM 101 H UNK 0 7.184 -3.344 1.218 0.00 0.00 H+0 HETATM 102 H UNK 0 6.173 -2.142 3.249 0.00 0.00 H+0 HETATM 103 H UNK 0 7.934 -2.284 3.078 0.00 0.00 H+0 HETATM 104 H UNK 0 7.142 -0.717 2.777 0.00 0.00 H+0 HETATM 105 H UNK 0 4.761 -0.245 3.554 0.00 0.00 H+0 HETATM 106 H UNK 0 3.854 -1.259 2.407 0.00 0.00 H+0 HETATM 107 H UNK 0 3.352 0.479 2.707 0.00 0.00 H+0 HETATM 108 H UNK 0 7.688 1.412 0.743 0.00 0.00 H+0 HETATM 109 H UNK 0 6.922 3.027 0.882 0.00 0.00 H+0 HETATM 110 H UNK 0 6.295 1.929 -0.357 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.163 1.254 -0.477 0.00 0.00 H+0 HETATM 112 H UNK 0 0.931 0.778 0.808 0.00 0.00 H+0 HETATM 113 H UNK 0 0.548 -1.367 0.647 0.00 0.00 H+0 HETATM 114 H UNK 0 -1.053 -0.739 0.169 0.00 0.00 H+0 HETATM 115 H UNK 0 1.081 -2.097 -1.600 0.00 0.00 H+0 HETATM 116 H UNK 0 0.051 -0.879 -2.345 0.00 0.00 H+0 HETATM 117 H UNK 0 -0.887 -3.036 -2.692 0.00 0.00 H+0 CONECT 1 2 55 56 57 CONECT 2 1 3 58 59 CONECT 3 2 4 5 60 CONECT 4 3 61 62 63 CONECT 5 3 6 53 64 CONECT 6 5 7 65 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 14 66 CONECT 10 9 11 12 67 CONECT 11 10 68 69 70 CONECT 12 10 13 71 72 CONECT 13 12 73 74 75 CONECT 14 9 15 76 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 21 77 CONECT 18 17 19 78 79 CONECT 19 18 20 80 81 CONECT 20 19 21 82 83 CONECT 21 20 22 17 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 32 84 CONECT 25 24 26 85 86 CONECT 26 25 27 31 CONECT 27 26 28 87 CONECT 28 27 29 88 CONECT 29 28 30 89 CONECT 30 29 31 90 CONECT 31 30 26 91 CONECT 32 24 33 92 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 49 93 CONECT 36 35 37 94 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 44 95 CONECT 40 39 41 42 96 CONECT 41 40 97 98 99 CONECT 42 40 43 100 101 CONECT 43 42 102 103 104 CONECT 44 39 45 46 CONECT 45 44 105 106 107 CONECT 46 44 47 48 CONECT 47 46 108 109 110 CONECT 48 46 CONECT 49 35 50 111 112 CONECT 50 49 51 113 114 CONECT 51 50 52 115 116 CONECT 52 51 53 117 CONECT 53 52 54 5 CONECT 54 53 CONECT 55 1 CONECT 56 1 CONECT 57 1 CONECT 58 2 CONECT 59 2 CONECT 60 3 CONECT 61 4 CONECT 62 4 CONECT 63 4 CONECT 64 5 CONECT 65 6 CONECT 66 9 CONECT 67 10 CONECT 68 11 CONECT 69 11 CONECT 70 11 CONECT 71 12 CONECT 72 12 CONECT 73 13 CONECT 74 13 CONECT 75 13 CONECT 76 14 CONECT 77 17 CONECT 78 18 CONECT 79 18 CONECT 80 19 CONECT 81 19 CONECT 82 20 CONECT 83 20 CONECT 84 24 CONECT 85 25 CONECT 86 25 CONECT 87 27 CONECT 88 28 CONECT 89 29 CONECT 90 30 CONECT 91 31 CONECT 92 32 CONECT 93 35 CONECT 94 36 CONECT 95 39 CONECT 96 40 CONECT 97 41 CONECT 98 41 CONECT 99 41 CONECT 100 42 CONECT 101 42 CONECT 102 43 CONECT 103 43 CONECT 104 43 CONECT 105 45 CONECT 106 45 CONECT 107 45 CONECT 108 47 CONECT 109 47 CONECT 110 47 CONECT 111 49 CONECT 112 49 CONECT 113 50 CONECT 114 50 CONECT 115 51 CONECT 116 51 CONECT 117 52 MASTER 0 0 0 0 0 0 0 0 117 0 238 0 END