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 -11.007 -2.038 1.108 0.00 0.00 C+0 HETATM 2 C UNK 0 -11.141 -1.677 -0.354 0.00 0.00 C+0 HETATM 3 C UNK 0 -12.274 -0.764 -0.631 0.00 0.00 C+0 HETATM 4 C UNK 0 -13.551 -1.301 -0.769 0.00 0.00 C+0 HETATM 5 Cl UNK 0 -13.736 -3.045 -0.616 0.00 0.00 Cl+0 HETATM 6 C UNK 0 -14.619 -0.493 -1.016 0.00 0.00 C+0 HETATM 7 O UNK 0 -15.892 -1.051 -1.152 0.00 0.00 O+0 HETATM 8 C UNK 0 -14.472 0.858 -1.135 0.00 0.00 C+0 HETATM 9 Cl UNK 0 -15.877 1.886 -1.459 0.00 0.00 Cl+0 HETATM 10 C UNK 0 -13.210 1.454 -1.005 0.00 0.00 C+0 HETATM 11 O UNK 0 -13.139 2.793 -1.135 0.00 0.00 O+0 HETATM 12 C UNK 0 -12.130 0.609 -0.751 0.00 0.00 C+0 HETATM 13 C UNK 0 -10.837 1.232 -0.577 0.00 0.00 C+0 HETATM 14 O UNK 0 -10.697 2.467 -0.652 0.00 0.00 O+0 HETATM 15 O UNK 0 -9.708 0.495 -0.320 0.00 0.00 O+0 HETATM 16 C UNK 0 -8.434 1.092 -0.145 0.00 0.00 C+0 HETATM 17 C UNK 0 -7.756 0.691 1.117 0.00 0.00 C+0 HETATM 18 O UNK 0 -7.140 1.844 1.649 0.00 0.00 O+0 HETATM 19 C UNK 0 -6.686 -0.349 0.983 0.00 0.00 C+0 HETATM 20 O UNK 0 -5.898 -0.248 2.152 0.00 0.00 O+0 HETATM 21 C UNK 0 -5.875 -1.417 2.881 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.815 -0.158 -0.211 0.00 0.00 C+0 HETATM 23 O UNK 0 -4.503 0.033 0.188 0.00 0.00 O+0 HETATM 24 C UNK 0 -3.727 -0.984 -0.417 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.281 -0.820 -0.017 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.739 -1.840 0.623 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.369 -1.827 1.066 0.00 0.00 C+0 HETATM 28 C UNK 0 0.686 -1.778 0.289 0.00 0.00 C+0 HETATM 29 C UNK 0 0.637 -1.729 -1.184 0.00 0.00 C+0 HETATM 30 C UNK 0 1.414 -0.548 -1.735 0.00 0.00 C+0 HETATM 31 O UNK 0 0.669 0.227 -2.622 0.00 0.00 O+0 HETATM 32 C UNK 0 2.623 -0.955 -2.475 0.00 0.00 C+0 HETATM 33 C UNK 0 2.532 -2.158 -3.347 0.00 0.00 C+0 HETATM 34 C UNK 0 3.733 -0.306 -2.393 0.00 0.00 C+0 HETATM 35 C UNK 0 3.934 0.910 -1.563 0.00 0.00 C+0 HETATM 36 C UNK 0 4.712 1.891 -2.422 0.00 0.00 C+0 HETATM 37 C UNK 0 6.026 1.411 -2.912 0.00 0.00 C+0 HETATM 38 C UNK 0 4.452 0.571 -0.255 0.00 0.00 C+0 HETATM 39 O UNK 0 5.647 -0.167 -0.314 0.00 0.00 O+0 HETATM 40 C UNK 0 5.626 -1.380 0.307 0.00 0.00 C+0 HETATM 41 O UNK 0 6.371 -1.285 1.539 0.00 0.00 O+0 HETATM 42 C UNK 0 7.719 -1.381 1.338 0.00 0.00 C+0 HETATM 43 C UNK 0 8.345 -0.319 2.272 0.00 0.00 C+0 HETATM 44 C UNK 0 8.231 -2.722 1.871 0.00 0.00 C+0 HETATM 45 C UNK 0 8.194 -1.139 -0.057 0.00 0.00 C+0 HETATM 46 O UNK 0 9.617 -1.197 -0.078 0.00 0.00 O+0 HETATM 47 C UNK 0 10.421 -0.117 -0.404 0.00 0.00 C+0 HETATM 48 O UNK 0 9.799 0.961 -0.692 0.00 0.00 O+0 HETATM 49 C UNK 0 11.909 -0.181 -0.426 0.00 0.00 C+0 HETATM 50 C UNK 0 12.426 1.197 -0.825 0.00 0.00 C+0 HETATM 51 C UNK 0 12.463 -0.556 0.932 0.00 0.00 C+0 HETATM 52 C UNK 0 7.601 -2.180 -0.979 0.00 0.00 C+0 HETATM 53 O UNK 0 7.606 -1.758 -2.307 0.00 0.00 O+0 HETATM 54 C UNK 0 6.193 -2.485 -0.499 0.00 0.00 C+0 HETATM 55 O UNK 0 5.380 -2.826 -1.551 0.00 0.00 O+0 HETATM 56 C UNK 0 4.731 1.652 0.734 0.00 0.00 C+0 HETATM 57 C UNK 0 5.671 2.755 0.336 0.00 0.00 C+0 HETATM 58 C UNK 0 4.238 1.731 1.957 0.00 0.00 C+0 HETATM 59 C UNK 0 3.335 0.811 2.580 0.00 0.00 C+0 HETATM 60 C UNK 0 3.852 -0.152 3.641 0.00 0.00 C+0 HETATM 61 C UNK 0 2.025 0.810 2.361 0.00 0.00 C+0 HETATM 62 C UNK 0 1.306 1.728 1.478 0.00 0.00 C+0 HETATM 63 C UNK 0 -0.196 1.500 1.469 0.00 0.00 C+0 HETATM 64 C UNK 0 -0.962 2.728 1.914 0.00 0.00 C+0 HETATM 65 C UNK 0 -0.816 3.893 1.005 0.00 0.00 C+0 HETATM 66 O UNK 0 -2.302 2.364 1.975 0.00 0.00 O+0 HETATM 67 O UNK 0 -0.564 1.010 0.254 0.00 0.00 O+0 HETATM 68 C UNK 0 -1.617 0.435 -0.351 0.00 0.00 C+0 HETATM 69 O UNK 0 -2.183 1.005 -1.385 0.00 0.00 O+0 HETATM 70 O UNK 0 -6.263 0.902 -1.018 0.00 0.00 O+0 HETATM 71 C UNK 0 -7.604 0.713 -1.351 0.00 0.00 C+0 HETATM 72 C UNK 0 -7.965 1.577 -2.518 0.00 0.00 C+0 HETATM 73 H UNK 0 -11.270 -1.145 1.738 0.00 0.00 H+0 HETATM 74 H UNK 0 -9.957 -2.381 1.296 0.00 0.00 H+0 HETATM 75 H UNK 0 -11.683 -2.867 1.391 0.00 0.00 H+0 HETATM 76 H UNK 0 -10.217 -1.456 -0.876 0.00 0.00 H+0 HETATM 77 H UNK 0 -11.455 -2.683 -0.848 0.00 0.00 H+0 HETATM 78 H UNK 0 -16.716 -0.489 -1.338 0.00 0.00 H+0 HETATM 79 H UNK 0 -12.503 3.502 -1.115 0.00 0.00 H+0 HETATM 80 H UNK 0 -8.583 2.210 -0.239 0.00 0.00 H+0 HETATM 81 H UNK 0 -8.489 0.297 1.879 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.182 1.715 1.819 0.00 0.00 H+0 HETATM 83 H UNK 0 -7.084 -1.401 1.001 0.00 0.00 H+0 HETATM 84 H UNK 0 -5.238 -1.232 3.775 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.445 -2.269 2.310 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.905 -1.688 3.155 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.909 -1.059 -0.875 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.862 -0.841 -1.513 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.111 -1.969 -0.169 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.382 -2.736 0.839 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.155 -1.889 2.150 0.00 0.00 H+0 HETATM 92 H UNK 0 1.666 -1.771 0.745 0.00 0.00 H+0 HETATM 93 H UNK 0 1.194 -2.648 -1.537 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.358 -1.798 -1.610 0.00 0.00 H+0 HETATM 95 H UNK 0 1.646 0.075 -0.860 0.00 0.00 H+0 HETATM 96 H UNK 0 0.081 -0.389 -3.126 0.00 0.00 H+0 HETATM 97 H UNK 0 3.000 -1.888 -4.340 0.00 0.00 H+0 HETATM 98 H UNK 0 1.478 -2.405 -3.602 0.00 0.00 H+0 HETATM 99 H UNK 0 3.026 -3.048 -2.922 0.00 0.00 H+0 HETATM 100 H UNK 0 4.629 -0.630 -2.969 0.00 0.00 H+0 HETATM 101 H UNK 0 2.901 1.388 -1.529 0.00 0.00 H+0 HETATM 102 H UNK 0 4.750 2.886 -2.005 0.00 0.00 H+0 HETATM 103 H UNK 0 4.051 2.001 -3.351 0.00 0.00 H+0 HETATM 104 H UNK 0 6.657 2.334 -3.101 0.00 0.00 H+0 HETATM 105 H UNK 0 5.984 0.909 -3.902 0.00 0.00 H+0 HETATM 106 H UNK 0 6.557 0.846 -2.151 0.00 0.00 H+0 HETATM 107 H UNK 0 3.739 -0.174 0.247 0.00 0.00 H+0 HETATM 108 H UNK 0 4.617 -1.613 0.665 0.00 0.00 H+0 HETATM 109 H UNK 0 7.654 0.571 2.272 0.00 0.00 H+0 HETATM 110 H UNK 0 9.305 0.020 1.881 0.00 0.00 H+0 HETATM 111 H UNK 0 8.359 -0.685 3.320 0.00 0.00 H+0 HETATM 112 H UNK 0 8.889 -3.168 1.079 0.00 0.00 H+0 HETATM 113 H UNK 0 8.893 -2.581 2.760 0.00 0.00 H+0 HETATM 114 H UNK 0 7.438 -3.394 2.197 0.00 0.00 H+0 HETATM 115 H UNK 0 7.946 -0.098 -0.339 0.00 0.00 H+0 HETATM 116 H UNK 0 12.288 -0.875 -1.226 0.00 0.00 H+0 HETATM 117 H UNK 0 12.607 1.817 0.072 0.00 0.00 H+0 HETATM 118 H UNK 0 13.289 1.137 -1.512 0.00 0.00 H+0 HETATM 119 H UNK 0 11.621 1.728 -1.410 0.00 0.00 H+0 HETATM 120 H UNK 0 13.091 0.271 1.298 0.00 0.00 H+0 HETATM 121 H UNK 0 13.091 -1.472 0.809 0.00 0.00 H+0 HETATM 122 H UNK 0 11.640 -0.738 1.663 0.00 0.00 H+0 HETATM 123 H UNK 0 8.192 -3.109 -0.857 0.00 0.00 H+0 HETATM 124 H UNK 0 8.388 -1.195 -2.449 0.00 0.00 H+0 HETATM 125 H UNK 0 6.216 -3.422 0.157 0.00 0.00 H+0 HETATM 126 H UNK 0 5.852 -2.978 -2.406 0.00 0.00 H+0 HETATM 127 H UNK 0 5.160 3.701 0.116 0.00 0.00 H+0 HETATM 128 H UNK 0 6.442 2.446 -0.377 0.00 0.00 H+0 HETATM 129 H UNK 0 6.296 3.027 1.268 0.00 0.00 H+0 HETATM 130 H UNK 0 4.644 2.603 2.572 0.00 0.00 H+0 HETATM 131 H UNK 0 4.105 -1.132 3.209 0.00 0.00 H+0 HETATM 132 H UNK 0 4.683 0.258 4.215 0.00 0.00 H+0 HETATM 133 H UNK 0 2.973 -0.374 4.324 0.00 0.00 H+0 HETATM 134 H UNK 0 1.432 0.057 2.879 0.00 0.00 H+0 HETATM 135 H UNK 0 1.407 2.751 1.995 0.00 0.00 H+0 HETATM 136 H UNK 0 1.750 1.904 0.501 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.336 0.775 2.330 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.602 2.992 2.919 0.00 0.00 H+0 HETATM 139 H UNK 0 0.161 4.422 1.206 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.595 4.646 1.287 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.966 3.690 -0.059 0.00 0.00 H+0 HETATM 142 H UNK 0 -2.791 2.821 2.676 0.00 0.00 H+0 HETATM 143 H UNK 0 -7.815 -0.351 -1.596 0.00 0.00 H+0 HETATM 144 H UNK 0 -8.230 2.623 -2.241 0.00 0.00 H+0 HETATM 145 H UNK 0 -8.901 1.169 -2.999 0.00 0.00 H+0 HETATM 146 H UNK 0 -7.187 1.550 -3.321 0.00 0.00 H+0 CONECT 1 2 73 74 75 CONECT 2 1 3 76 77 CONECT 3 2 4 12 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 8 CONECT 7 6 78 CONECT 8 6 9 10 CONECT 9 8 CONECT 10 8 11 12 CONECT 11 10 79 CONECT 12 10 13 3 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 17 71 80 CONECT 17 16 18 19 81 CONECT 18 17 82 CONECT 19 17 20 22 83 CONECT 20 19 21 CONECT 21 20 84 85 86 CONECT 22 19 23 70 87 CONECT 23 22 24 CONECT 24 23 25 88 89 CONECT 25 24 26 68 CONECT 26 25 27 90 CONECT 27 26 28 91 CONECT 28 27 29 92 CONECT 29 28 30 93 94 CONECT 30 29 31 32 95 CONECT 31 30 96 CONECT 32 30 33 34 CONECT 33 32 97 98 99 CONECT 34 32 35 100 CONECT 35 34 36 38 101 CONECT 36 35 37 102 103 CONECT 37 36 104 105 106 CONECT 38 35 39 56 107 CONECT 39 38 40 CONECT 40 39 41 54 108 CONECT 41 40 42 CONECT 42 41 43 44 45 CONECT 43 42 109 110 111 CONECT 44 42 112 113 114 CONECT 45 42 46 52 115 CONECT 46 45 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 51 116 CONECT 50 49 117 118 119 CONECT 51 49 120 121 122 CONECT 52 45 53 54 123 CONECT 53 52 124 CONECT 54 52 55 40 125 CONECT 55 54 126 CONECT 56 38 57 58 CONECT 57 56 127 128 129 CONECT 58 56 59 130 CONECT 59 58 60 61 CONECT 60 59 131 132 133 CONECT 61 59 62 134 CONECT 62 61 63 135 136 CONECT 63 62 64 67 137 CONECT 64 63 65 66 138 CONECT 65 64 139 140 141 CONECT 66 64 142 CONECT 67 63 68 CONECT 68 67 69 25 CONECT 69 68 CONECT 70 22 71 CONECT 71 70 72 16 143 CONECT 72 71 144 145 146 CONECT 73 1 CONECT 74 1 CONECT 75 1 CONECT 76 2 CONECT 77 2 CONECT 78 7 CONECT 79 11 CONECT 80 16 CONECT 81 17 CONECT 82 18 CONECT 83 19 CONECT 84 21 CONECT 85 21 CONECT 86 21 CONECT 87 22 CONECT 88 24 CONECT 89 24 CONECT 90 26 CONECT 91 27 CONECT 92 28 CONECT 93 29 CONECT 94 29 CONECT 95 30 CONECT 96 31 CONECT 97 33 CONECT 98 33 CONECT 99 33 CONECT 100 34 CONECT 101 35 CONECT 102 36 CONECT 103 36 CONECT 104 37 CONECT 105 37 CONECT 106 37 CONECT 107 38 CONECT 108 40 CONECT 109 43 CONECT 110 43 CONECT 111 43 CONECT 112 44 CONECT 113 44 CONECT 114 44 CONECT 115 45 CONECT 116 49 CONECT 117 50 CONECT 118 50 CONECT 119 50 CONECT 120 51 CONECT 121 51 CONECT 122 51 CONECT 123 52 CONECT 124 53 CONECT 125 54 CONECT 126 55 CONECT 127 57 CONECT 128 57 CONECT 129 57 CONECT 130 58 CONECT 131 60 CONECT 132 60 CONECT 133 60 CONECT 134 61 CONECT 135 62 CONECT 136 62 CONECT 137 63 CONECT 138 64 CONECT 139 65 CONECT 140 65 CONECT 141 65 CONECT 142 66 CONECT 143 71 CONECT 144 72 CONECT 145 72 CONECT 146 72 MASTER 0 0 0 0 0 0 0 0 146 0 298 0 END