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 0.866 -2.576 -1.499 0.00 0.00 C+0 HETATM 2 C UNK 0 1.240 -1.725 -0.583 0.00 0.00 C+0 HETATM 3 C UNK 0 2.326 -2.150 0.371 0.00 0.00 C+0 HETATM 4 C UNK 0 2.508 -1.102 1.451 0.00 0.00 C+0 HETATM 5 C UNK 0 2.806 0.200 0.826 0.00 0.00 C+0 HETATM 6 O UNK 0 4.116 0.446 0.453 0.00 0.00 O+0 HETATM 7 C UNK 0 4.736 1.510 1.070 0.00 0.00 C+0 HETATM 8 C UNK 0 6.108 1.295 1.560 0.00 0.00 C+0 HETATM 9 C UNK 0 7.199 2.114 0.967 0.00 0.00 C+0 HETATM 10 O UNK 0 8.218 2.249 1.952 0.00 0.00 O+0 HETATM 11 C UNK 0 7.819 1.435 -0.203 0.00 0.00 C+0 HETATM 12 C UNK 0 6.855 1.214 -1.375 0.00 0.00 C+0 HETATM 13 N UNK 0 8.409 0.163 0.091 0.00 0.00 N+0 HETATM 14 C UNK 0 9.230 -0.591 -0.750 0.00 0.00 C+0 HETATM 15 O UNK 0 9.535 -0.206 -1.934 0.00 0.00 O+0 HETATM 16 C UNK 0 9.755 -1.879 -0.235 0.00 0.00 C+0 HETATM 17 N UNK 0 9.891 -2.189 1.075 0.00 0.00 N+0 HETATM 18 C UNK 0 10.343 -3.430 1.261 0.00 0.00 C+0 HETATM 19 C UNK 0 10.626 -4.143 2.543 0.00 0.00 C+0 HETATM 20 C UNK 0 10.512 -3.958 -0.020 0.00 0.00 C+0 HETATM 21 Cl UNK 0 11.097 -5.595 -0.342 0.00 0.00 Cl+0 HETATM 22 C UNK 0 10.146 -2.993 -0.941 0.00 0.00 C+0 HETATM 23 Cl UNK 0 10.155 -3.162 -2.689 0.00 0.00 Cl+0 HETATM 24 C UNK 0 6.777 3.538 0.656 0.00 0.00 C+0 HETATM 25 O UNK 0 7.417 4.420 1.501 0.00 0.00 O+0 HETATM 26 C UNK 0 5.282 3.685 0.919 0.00 0.00 C+0 HETATM 27 C UNK 0 4.818 5.043 0.525 0.00 0.00 C+0 HETATM 28 O UNK 0 4.692 2.639 0.224 0.00 0.00 O+0 HETATM 29 C UNK 0 1.856 0.557 -0.254 0.00 0.00 C+0 HETATM 30 C UNK 0 1.340 1.949 -0.120 0.00 0.00 C+0 HETATM 31 C UNK 0 0.534 2.347 -1.098 0.00 0.00 C+0 HETATM 32 C UNK 0 0.290 1.330 -2.158 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.716 1.844 -3.169 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.278 0.092 -1.447 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.530 0.569 -0.801 0.00 0.00 C+0 HETATM 36 O UNK 0 -1.357 1.601 0.152 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.739 0.123 -1.038 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.182 -0.911 -1.953 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.495 -1.873 -2.443 0.00 0.00 O+0 HETATM 40 C UNK 0 -4.614 -0.621 -2.210 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.759 0.388 -3.328 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.179 -0.131 -4.608 0.00 0.00 C+0 HETATM 43 C UNK 0 -6.201 0.764 -3.525 0.00 0.00 C+0 HETATM 44 N UNK 0 -5.076 -0.116 -0.931 0.00 0.00 N+0 HETATM 45 C UNK 0 -6.386 -0.319 -0.322 0.00 0.00 C+0 HETATM 46 O UNK 0 -7.036 0.889 -0.209 0.00 0.00 O+0 HETATM 47 C UNK 0 -7.396 1.167 1.099 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.948 2.578 1.229 0.00 0.00 C+0 HETATM 49 C UNK 0 -8.272 0.126 1.675 0.00 0.00 C+0 HETATM 50 O UNK 0 -9.449 -0.138 0.961 0.00 0.00 O+0 HETATM 51 C UNK 0 -10.717 -0.015 1.492 0.00 0.00 C+0 HETATM 52 N UNK 0 -11.915 -0.274 0.811 0.00 0.00 N+0 HETATM 53 O UNK 0 -10.740 0.363 2.680 0.00 0.00 O+0 HETATM 54 C UNK 0 -7.517 -1.172 1.741 0.00 0.00 C+0 HETATM 55 O UNK 0 -8.270 -2.286 1.349 0.00 0.00 O+0 HETATM 56 C UNK 0 -8.572 -3.355 2.163 0.00 0.00 C+0 HETATM 57 C UNK 0 -9.390 -4.446 1.550 0.00 0.00 C+0 HETATM 58 O UNK 0 -8.159 -3.353 3.324 0.00 0.00 O+0 HETATM 59 C UNK 0 -6.214 -1.046 0.974 0.00 0.00 C+0 HETATM 60 O UNK 0 -5.683 -2.316 0.697 0.00 0.00 O+0 HETATM 61 C UNK 0 -4.450 -2.546 1.234 0.00 0.00 C+0 HETATM 62 C UNK 0 -3.973 0.623 -0.392 0.00 0.00 C+0 HETATM 63 O UNK 0 -4.042 1.526 0.472 0.00 0.00 O+0 HETATM 64 C UNK 0 0.696 -0.378 -0.390 0.00 0.00 C+0 HETATM 65 H UNK 0 0.131 -2.456 -2.244 0.00 0.00 H+0 HETATM 66 H UNK 0 1.373 -3.576 -1.531 0.00 0.00 H+0 HETATM 67 H UNK 0 3.278 -2.319 -0.136 0.00 0.00 H+0 HETATM 68 H UNK 0 2.030 -3.114 0.875 0.00 0.00 H+0 HETATM 69 H UNK 0 1.562 -1.106 2.046 0.00 0.00 H+0 HETATM 70 H UNK 0 3.359 -1.490 2.087 0.00 0.00 H+0 HETATM 71 H UNK 0 2.622 0.985 1.639 0.00 0.00 H+0 HETATM 72 H UNK 0 4.055 1.826 1.893 0.00 0.00 H+0 HETATM 73 H UNK 0 6.091 1.542 2.676 0.00 0.00 H+0 HETATM 74 H UNK 0 6.399 0.210 1.578 0.00 0.00 H+0 HETATM 75 H UNK 0 8.065 1.603 2.706 0.00 0.00 H+0 HETATM 76 H UNK 0 8.623 2.073 -0.706 0.00 0.00 H+0 HETATM 77 H UNK 0 6.203 0.363 -1.173 0.00 0.00 H+0 HETATM 78 H UNK 0 6.413 2.128 -1.760 0.00 0.00 H+0 HETATM 79 H UNK 0 7.515 0.848 -2.230 0.00 0.00 H+0 HETATM 80 H UNK 0 8.217 -0.247 1.054 0.00 0.00 H+0 HETATM 81 H UNK 0 9.653 -1.489 1.830 0.00 0.00 H+0 HETATM 82 H UNK 0 9.713 -4.323 3.119 0.00 0.00 H+0 HETATM 83 H UNK 0 11.273 -3.421 3.129 0.00 0.00 H+0 HETATM 84 H UNK 0 11.236 -5.049 2.337 0.00 0.00 H+0 HETATM 85 H UNK 0 6.933 3.765 -0.418 0.00 0.00 H+0 HETATM 86 H UNK 0 6.874 4.666 2.296 0.00 0.00 H+0 HETATM 87 H UNK 0 5.148 3.476 2.006 0.00 0.00 H+0 HETATM 88 H UNK 0 4.483 5.555 1.478 0.00 0.00 H+0 HETATM 89 H UNK 0 5.604 5.673 0.087 0.00 0.00 H+0 HETATM 90 H UNK 0 3.886 5.041 -0.098 0.00 0.00 H+0 HETATM 91 H UNK 0 2.415 0.451 -1.242 0.00 0.00 H+0 HETATM 92 H UNK 0 1.603 2.594 0.713 0.00 0.00 H+0 HETATM 93 H UNK 0 0.096 3.344 -1.111 0.00 0.00 H+0 HETATM 94 H UNK 0 1.196 1.047 -2.726 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.156 2.364 -3.980 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.426 2.580 -2.739 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.188 0.961 -3.622 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.466 -0.661 -2.205 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.906 2.430 -0.050 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.196 -1.540 -2.432 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.145 1.287 -3.041 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.611 0.439 -5.480 0.00 0.00 H+0 HETATM 103 H UNK 0 -4.477 -1.203 -4.794 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.083 -0.004 -4.691 0.00 0.00 H+0 HETATM 105 H UNK 0 -6.443 1.711 -2.955 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.919 -0.023 -3.274 0.00 0.00 H+0 HETATM 107 H UNK 0 -6.396 1.043 -4.599 0.00 0.00 H+0 HETATM 108 H UNK 0 -6.984 -0.934 -1.061 0.00 0.00 H+0 HETATM 109 H UNK 0 -6.456 1.182 1.683 0.00 0.00 H+0 HETATM 110 H UNK 0 -8.994 2.636 0.865 0.00 0.00 H+0 HETATM 111 H UNK 0 -7.266 3.310 0.710 0.00 0.00 H+0 HETATM 112 H UNK 0 -7.975 2.925 2.283 0.00 0.00 H+0 HETATM 113 H UNK 0 -8.584 0.418 2.701 0.00 0.00 H+0 HETATM 114 H UNK 0 -12.672 0.441 0.780 0.00 0.00 H+0 HETATM 115 H UNK 0 -12.116 -1.177 0.311 0.00 0.00 H+0 HETATM 116 H UNK 0 -7.236 -1.333 2.800 0.00 0.00 H+0 HETATM 117 H UNK 0 -9.265 -4.508 0.453 0.00 0.00 H+0 HETATM 118 H UNK 0 -9.074 -5.427 2.010 0.00 0.00 H+0 HETATM 119 H UNK 0 -10.453 -4.311 1.836 0.00 0.00 H+0 HETATM 120 H UNK 0 -5.425 -0.539 1.560 0.00 0.00 H+0 HETATM 121 H UNK 0 -4.180 -3.610 0.925 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.412 -2.519 2.337 0.00 0.00 H+0 HETATM 123 H UNK 0 -3.658 -1.940 0.770 0.00 0.00 H+0 HETATM 124 H UNK 0 0.171 -0.387 0.606 0.00 0.00 H+0 CONECT 1 2 65 66 CONECT 2 1 3 64 CONECT 3 2 4 67 68 CONECT 4 3 5 69 70 CONECT 5 4 6 29 71 CONECT 6 5 7 CONECT 7 6 8 28 72 CONECT 8 7 9 73 74 CONECT 9 8 10 11 24 CONECT 10 9 75 CONECT 11 9 12 13 76 CONECT 12 11 77 78 79 CONECT 13 11 14 80 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 22 CONECT 17 16 18 81 CONECT 18 17 19 20 CONECT 19 18 82 83 84 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 16 CONECT 23 22 CONECT 24 9 25 26 85 CONECT 25 24 86 CONECT 26 24 27 28 87 CONECT 27 26 88 89 90 CONECT 28 26 7 CONECT 29 5 30 64 91 CONECT 30 29 31 92 CONECT 31 30 32 93 CONECT 32 31 33 34 94 CONECT 33 32 95 96 97 CONECT 34 32 35 64 98 CONECT 35 34 36 37 CONECT 36 35 99 CONECT 37 35 38 62 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 44 100 CONECT 41 40 42 43 101 CONECT 42 41 102 103 104 CONECT 43 41 105 106 107 CONECT 44 40 45 62 CONECT 45 44 46 59 108 CONECT 46 45 47 CONECT 47 46 48 49 109 CONECT 48 47 110 111 112 CONECT 49 47 50 54 113 CONECT 50 49 51 CONECT 51 50 52 53 CONECT 52 51 114 115 CONECT 53 51 CONECT 54 49 55 59 116 CONECT 55 54 56 CONECT 56 55 57 58 CONECT 57 56 117 118 119 CONECT 58 56 CONECT 59 54 60 45 120 CONECT 60 59 61 CONECT 61 60 121 122 123 CONECT 62 44 63 37 CONECT 63 62 CONECT 64 34 2 29 124 CONECT 65 1 CONECT 66 1 CONECT 67 3 CONECT 68 3 CONECT 69 4 CONECT 70 4 CONECT 71 5 CONECT 72 7 CONECT 73 8 CONECT 74 8 CONECT 75 10 CONECT 76 11 CONECT 77 12 CONECT 78 12 CONECT 79 12 CONECT 80 13 CONECT 81 17 CONECT 82 19 CONECT 83 19 CONECT 84 19 CONECT 85 24 CONECT 86 25 CONECT 87 26 CONECT 88 27 CONECT 89 27 CONECT 90 27 CONECT 91 29 CONECT 92 30 CONECT 93 31 CONECT 94 32 CONECT 95 33 CONECT 96 33 CONECT 97 33 CONECT 98 34 CONECT 99 36 CONECT 100 40 CONECT 101 41 CONECT 102 42 CONECT 103 42 CONECT 104 42 CONECT 105 43 CONECT 106 43 CONECT 107 43 CONECT 108 45 CONECT 109 47 CONECT 110 48 CONECT 111 48 CONECT 112 48 CONECT 113 49 CONECT 114 52 CONECT 115 52 CONECT 116 54 CONECT 117 57 CONECT 118 57 CONECT 119 57 CONECT 120 59 CONECT 121 61 CONECT 122 61 CONECT 123 61 CONECT 124 64 MASTER 0 0 0 0 0 0 0 0 124 0 258 0 END