HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -2.772 0.273 -3.920 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.030 -1.199 -3.638 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.423 -1.582 -3.992 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.544 -1.703 -2.345 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.056 -1.147 -1.072 0.00 0.00 C+0 HETATM 6 N UNK 0 -4.446 -1.305 -0.849 0.00 0.00 N+0 HETATM 7 C UNK 0 -5.187 -0.796 0.251 0.00 0.00 C+0 HETATM 8 O UNK 0 -4.570 -0.082 1.082 0.00 0.00 O+0 HETATM 9 C UNK 0 -6.630 -1.064 0.471 0.00 0.00 C+0 HETATM 10 N UNK 0 -7.335 0.099 0.880 0.00 0.00 N+0 HETATM 11 C UNK 0 -8.133 0.120 2.063 0.00 0.00 C+0 HETATM 12 O UNK 0 -8.245 -0.891 2.754 0.00 0.00 O+0 HETATM 13 C UNK 0 -8.861 1.343 2.520 0.00 0.00 C+0 HETATM 14 N UNK 0 -8.431 2.526 1.831 0.00 0.00 N+0 HETATM 15 C UNK 0 -10.316 1.113 2.049 0.00 0.00 C+0 HETATM 16 C UNK 0 -11.155 2.281 2.462 0.00 0.00 C+0 HETATM 17 C UNK 0 -10.274 1.029 0.504 0.00 0.00 C+0 HETATM 18 C UNK 0 -7.289 -1.954 -0.485 0.00 0.00 C+0 HETATM 19 C UNK 0 -8.076 -1.591 -1.538 0.00 0.00 C+0 HETATM 20 C UNK 0 -8.695 -2.454 -2.426 0.00 0.00 C+0 HETATM 21 O UNK 0 -9.481 -2.022 -3.474 0.00 0.00 O+0 HETATM 22 C UNK 0 -8.479 -3.797 -2.214 0.00 0.00 C+0 HETATM 23 C UNK 0 -7.699 -4.219 -1.175 0.00 0.00 C+0 HETATM 24 O UNK 0 -7.534 -5.614 -1.036 0.00 0.00 O+0 HETATM 25 C UNK 0 -7.093 -3.357 -0.302 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.462 0.211 -0.869 0.00 0.00 C+0 HETATM 27 O UNK 0 -3.005 1.281 -1.207 0.00 0.00 O+0 HETATM 28 N UNK 0 -1.159 0.294 -0.248 0.00 0.00 N+0 HETATM 29 C UNK 0 -0.534 1.615 -0.155 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.208 2.376 1.006 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.051 1.821 2.323 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.612 0.658 2.809 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.472 0.208 4.120 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.729 0.959 5.004 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.150 2.132 4.564 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.310 2.540 3.275 0.00 0.00 C+0 HETATM 37 C UNK 0 0.881 1.464 0.168 0.00 0.00 C+0 HETATM 38 O UNK 0 1.266 1.673 1.343 0.00 0.00 O+0 HETATM 39 C UNK 0 1.939 1.047 -0.765 0.00 0.00 C+0 HETATM 40 O UNK 0 1.648 0.654 -1.921 0.00 0.00 O+0 HETATM 41 N UNK 0 3.258 1.071 -0.358 0.00 0.00 N+0 HETATM 42 C UNK 0 4.466 0.642 -0.965 0.00 0.00 C+0 HETATM 43 C UNK 0 5.467 0.225 0.026 0.00 0.00 C+0 HETATM 44 O UNK 0 5.207 0.376 1.280 0.00 0.00 O+0 HETATM 45 N UNK 0 6.733 -0.352 -0.231 0.00 0.00 N+0 HETATM 46 C UNK 0 7.635 -0.716 0.863 0.00 0.00 C+0 HETATM 47 C UNK 0 8.875 0.079 0.783 0.00 0.00 C+0 HETATM 48 O UNK 0 8.751 1.291 0.530 0.00 0.00 O+0 HETATM 49 N UNK 0 10.164 -0.478 0.979 0.00 0.00 N+0 HETATM 50 C UNK 0 11.414 0.263 0.975 0.00 0.00 C+0 HETATM 51 C UNK 0 12.184 0.208 -0.301 0.00 0.00 C+0 HETATM 52 C UNK 0 12.560 -1.152 -0.717 0.00 0.00 C+0 HETATM 53 O UNK 0 11.986 -2.139 -0.210 0.00 0.00 O+0 HETATM 54 O UNK 0 13.549 -1.369 -1.659 0.00 0.00 O+0 HETATM 55 C UNK 0 11.287 1.572 1.574 0.00 0.00 C+0 HETATM 56 O UNK 0 10.334 2.110 2.143 0.00 0.00 O+0 HETATM 57 O UNK 0 12.443 2.444 1.518 0.00 0.00 O+0 HETATM 58 C UNK 0 7.845 -2.155 1.055 0.00 0.00 C+0 HETATM 59 C UNK 0 8.501 -2.856 -0.103 0.00 0.00 C+0 HETATM 60 C UNK 0 8.461 -2.554 2.361 0.00 0.00 C+0 HETATM 61 C UNK 0 4.997 1.531 -2.026 0.00 0.00 C+0 HETATM 62 C UNK 0 5.304 2.931 -1.573 0.00 0.00 C+0 HETATM 63 C UNK 0 4.136 1.601 -3.265 0.00 0.00 C+0 HETATM 64 H UNK 0 -2.792 0.426 -5.059 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.788 0.618 -3.635 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.653 0.844 -3.606 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.377 -1.717 -4.426 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.597 -1.466 -5.116 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.688 -2.633 -3.794 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.137 -0.840 -3.559 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.409 -1.583 -2.345 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.648 -2.828 -2.364 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.576 -1.723 -0.202 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.056 -1.883 -1.523 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.655 -1.712 1.474 0.00 0.00 H+0 HETATM 76 H UNK 0 -7.307 0.991 0.346 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.818 1.488 3.590 0.00 0.00 H+0 HETATM 78 H UNK 0 -7.399 2.684 1.873 0.00 0.00 H+0 HETATM 79 H UNK 0 -8.892 3.393 2.220 0.00 0.00 H+0 HETATM 80 H UNK 0 -10.661 0.173 2.447 0.00 0.00 H+0 HETATM 81 H UNK 0 -10.836 2.604 3.478 0.00 0.00 H+0 HETATM 82 H UNK 0 -12.217 2.075 2.454 0.00 0.00 H+0 HETATM 83 H UNK 0 -10.892 3.141 1.787 0.00 0.00 H+0 HETATM 84 H UNK 0 -9.793 0.109 0.159 0.00 0.00 H+0 HETATM 85 H UNK 0 -9.746 1.944 0.153 0.00 0.00 H+0 HETATM 86 H UNK 0 -11.322 1.044 0.166 0.00 0.00 H+0 HETATM 87 H UNK 0 -8.248 -0.510 -1.707 0.00 0.00 H+0 HETATM 88 H UNK 0 -10.492 -1.926 -3.267 0.00 0.00 H+0 HETATM 89 H UNK 0 -8.967 -4.478 -2.910 0.00 0.00 H+0 HETATM 90 H UNK 0 -8.217 -6.075 -0.458 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.475 -3.688 0.513 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.720 -0.581 0.098 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.745 2.193 -1.021 0.00 0.00 H+0 HETATM 94 H UNK 0 -2.270 2.556 0.705 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.749 3.401 0.974 0.00 0.00 H+0 HETATM 96 H UNK 0 -2.177 0.055 2.142 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.946 -0.726 4.405 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.600 0.631 6.020 0.00 0.00 H+0 HETATM 99 H UNK 0 0.424 2.707 5.308 0.00 0.00 H+0 HETATM 100 H UNK 0 0.167 3.485 3.012 0.00 0.00 H+0 HETATM 101 H UNK 0 3.409 1.524 0.627 0.00 0.00 H+0 HETATM 102 H UNK 0 4.174 -0.329 -1.535 0.00 0.00 H+0 HETATM 103 H UNK 0 7.007 -0.528 -1.215 0.00 0.00 H+0 HETATM 104 H UNK 0 7.117 -0.337 1.804 0.00 0.00 H+0 HETATM 105 H UNK 0 10.233 -1.515 1.120 0.00 0.00 H+0 HETATM 106 H UNK 0 12.108 -0.281 1.758 0.00 0.00 H+0 HETATM 107 H UNK 0 13.159 0.748 -0.107 0.00 0.00 H+0 HETATM 108 H UNK 0 11.615 0.744 -1.103 0.00 0.00 H+0 HETATM 109 H UNK 0 14.458 -1.770 -1.405 0.00 0.00 H+0 HETATM 110 H UNK 0 12.591 2.963 0.660 0.00 0.00 H+0 HETATM 111 H UNK 0 6.793 -2.681 1.121 0.00 0.00 H+0 HETATM 112 H UNK 0 8.897 -2.096 -0.817 0.00 0.00 H+0 HETATM 113 H UNK 0 7.789 -3.490 -0.695 0.00 0.00 H+0 HETATM 114 H UNK 0 9.351 -3.509 0.180 0.00 0.00 H+0 HETATM 115 H UNK 0 7.702 -3.003 3.081 0.00 0.00 H+0 HETATM 116 H UNK 0 8.848 -1.678 2.962 0.00 0.00 H+0 HETATM 117 H UNK 0 9.288 -3.285 2.285 0.00 0.00 H+0 HETATM 118 H UNK 0 6.004 1.109 -2.381 0.00 0.00 H+0 HETATM 119 H UNK 0 6.122 2.988 -0.861 0.00 0.00 H+0 HETATM 120 H UNK 0 5.476 3.585 -2.449 0.00 0.00 H+0 HETATM 121 H UNK 0 4.362 3.308 -1.073 0.00 0.00 H+0 HETATM 122 H UNK 0 3.774 0.607 -3.602 0.00 0.00 H+0 HETATM 123 H UNK 0 4.799 1.945 -4.111 0.00 0.00 H+0 HETATM 124 H UNK 0 3.349 2.351 -3.107 0.00 0.00 H+0 CONECT 1 2 64 65 66 CONECT 2 1 3 4 67 CONECT 3 2 68 69 70 CONECT 4 2 5 71 72 CONECT 5 4 6 26 73 CONECT 6 5 7 74 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 18 75 CONECT 10 9 11 76 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 15 77 CONECT 14 13 78 79 CONECT 15 13 16 17 80 CONECT 16 15 81 82 83 CONECT 17 15 84 85 86 CONECT 18 9 19 25 CONECT 19 18 20 87 CONECT 20 19 21 22 CONECT 21 20 88 CONECT 22 20 23 89 CONECT 23 22 24 25 CONECT 24 23 90 CONECT 25 23 18 91 CONECT 26 5 27 28 CONECT 27 26 CONECT 28 26 29 92 CONECT 29 28 30 37 93 CONECT 30 29 31 94 95 CONECT 31 30 32 36 CONECT 32 31 33 96 CONECT 33 32 34 97 CONECT 34 33 35 98 CONECT 35 34 36 99 CONECT 36 35 31 100 CONECT 37 29 38 39 CONECT 38 37 CONECT 39 37 40 41 CONECT 40 39 CONECT 41 39 42 101 CONECT 42 41 43 61 102 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 103 CONECT 46 45 47 58 104 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 105 CONECT 50 49 51 55 106 CONECT 51 50 52 107 108 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 109 CONECT 55 50 56 57 CONECT 56 55 CONECT 57 55 110 CONECT 58 46 59 60 111 CONECT 59 58 112 113 114 CONECT 60 58 115 116 117 CONECT 61 42 62 63 118 CONECT 62 61 119 120 121 CONECT 63 61 122 123 124 CONECT 64 1 CONECT 65 1 CONECT 66 1 CONECT 67 2 CONECT 68 3 CONECT 69 3 CONECT 70 3 CONECT 71 4 CONECT 72 4 CONECT 73 5 CONECT 74 6 CONECT 75 9 CONECT 76 10 CONECT 77 13 CONECT 78 14 CONECT 79 14 CONECT 80 15 CONECT 81 16 CONECT 82 16 CONECT 83 16 CONECT 84 17 CONECT 85 17 CONECT 86 17 CONECT 87 19 CONECT 88 21 CONECT 89 22 CONECT 90 24 CONECT 91 25 CONECT 92 28 CONECT 93 29 CONECT 94 30 CONECT 95 30 CONECT 96 32 CONECT 97 33 CONECT 98 34 CONECT 99 35 CONECT 100 36 CONECT 101 41 CONECT 102 42 CONECT 103 45 CONECT 104 46 CONECT 105 49 CONECT 106 50 CONECT 107 51 CONECT 108 51 CONECT 109 54 CONECT 110 57 CONECT 111 58 CONECT 112 59 CONECT 113 59 CONECT 114 59 CONECT 115 60 CONECT 116 60 CONECT 117 60 CONECT 118 61 CONECT 119 62 CONECT 120 62 CONECT 121 62 CONECT 122 63 CONECT 123 63 CONECT 124 63 MASTER 0 0 0 0 0 0 0 0 124 0 250 0 END