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 1.400 2.869 -1.993 0.00 0.00 C+0 HETATM 2 C UNK 0 0.706 3.509 -0.833 0.00 0.00 C+0 HETATM 3 C UNK 0 1.368 3.212 0.463 0.00 0.00 C+0 HETATM 4 C UNK 0 2.785 3.725 0.385 0.00 0.00 C+0 HETATM 5 C UNK 0 1.197 1.852 1.039 0.00 0.00 C+0 HETATM 6 N UNK 0 1.647 0.728 0.303 0.00 0.00 N+0 HETATM 7 C UNK 0 2.931 0.139 0.266 0.00 0.00 C+0 HETATM 8 O UNK 0 3.150 -0.582 -0.782 0.00 0.00 O+0 HETATM 9 C UNK 0 4.022 0.215 1.203 0.00 0.00 C+0 HETATM 10 C UNK 0 5.345 0.309 0.474 0.00 0.00 C+0 HETATM 11 C UNK 0 5.528 1.502 -0.357 0.00 0.00 C+0 HETATM 12 C UNK 0 5.255 1.561 -1.694 0.00 0.00 C+0 HETATM 13 C UNK 0 5.429 2.739 -2.439 0.00 0.00 C+0 HETATM 14 C UNK 0 5.887 3.891 -1.845 0.00 0.00 C+0 HETATM 15 O UNK 0 6.065 5.077 -2.568 0.00 0.00 O+0 HETATM 16 C UNK 0 5.754 5.050 -3.957 0.00 0.00 C+0 HETATM 17 C UNK 0 6.168 3.840 -0.490 0.00 0.00 C+0 HETATM 18 Cl UNK 0 6.756 5.291 0.293 0.00 0.00 Cl+0 HETATM 19 C UNK 0 5.997 2.689 0.238 0.00 0.00 C+0 HETATM 20 N UNK 0 4.016 -0.570 2.396 0.00 0.00 N+0 HETATM 21 C UNK 0 3.952 0.288 3.650 0.00 0.00 C+0 HETATM 22 C UNK 0 4.077 -1.922 2.693 0.00 0.00 C+0 HETATM 23 O UNK 0 5.066 -2.236 3.513 0.00 0.00 O+0 HETATM 24 C UNK 0 3.307 -3.126 2.331 0.00 0.00 C+0 HETATM 25 C UNK 0 4.027 -4.331 1.904 0.00 0.00 C+0 HETATM 26 C UNK 0 3.103 -5.503 1.577 0.00 0.00 C+0 HETATM 27 C UNK 0 5.035 -4.289 0.810 0.00 0.00 C+0 HETATM 28 C UNK 0 6.250 -3.440 1.042 0.00 0.00 C+0 HETATM 29 N UNK 0 1.978 -2.862 1.819 0.00 0.00 N+0 HETATM 30 C UNK 0 1.313 -3.054 0.619 0.00 0.00 C+0 HETATM 31 O UNK 0 1.594 -3.153 -0.591 0.00 0.00 O+0 HETATM 32 C UNK 0 -0.200 -3.182 0.819 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.396 -4.071 1.995 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.006 -3.249 3.225 0.00 0.00 C+0 HETATM 35 C UNK 0 1.081 -2.228 2.854 0.00 0.00 C+0 HETATM 36 O UNK 0 1.770 -2.047 4.050 0.00 0.00 O+0 HETATM 37 N UNK 0 -0.889 -3.535 -0.359 0.00 0.00 N+0 HETATM 38 C UNK 0 -2.157 -3.020 -0.714 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.349 -2.668 -1.940 0.00 0.00 O+0 HETATM 40 C UNK 0 -3.274 -2.857 0.221 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.593 -2.867 -0.569 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.739 -4.186 -1.292 0.00 0.00 C+0 HETATM 43 C UNK 0 -6.035 -4.205 -2.075 0.00 0.00 C+0 HETATM 44 N UNK 0 -6.200 -5.438 -2.789 0.00 0.00 N+0 HETATM 45 C UNK 0 -5.619 -5.713 -3.911 0.00 0.00 C+0 HETATM 46 N UNK 0 -5.819 -6.950 -4.578 0.00 0.00 N+0 HETATM 47 N UNK 0 -4.758 -4.753 -4.492 0.00 0.00 N+0 HETATM 48 N UNK 0 -3.182 -1.769 1.143 0.00 0.00 N+0 HETATM 49 C UNK 0 -3.638 -0.457 1.039 0.00 0.00 C+0 HETATM 50 O UNK 0 -4.407 -0.021 1.975 0.00 0.00 O+0 HETATM 51 C UNK 0 -3.335 0.511 -0.033 0.00 0.00 C+0 HETATM 52 N UNK 0 -3.814 1.844 0.270 0.00 0.00 N+0 HETATM 53 C UNK 0 -4.380 2.738 -0.652 0.00 0.00 C+0 HETATM 54 O UNK 0 -4.556 2.502 -1.873 0.00 0.00 O+0 HETATM 55 C UNK 0 -4.824 4.101 -0.195 0.00 0.00 C+0 HETATM 56 C UNK 0 -6.183 4.478 -0.695 0.00 0.00 C+0 HETATM 57 O UNK 0 -6.369 5.825 -0.344 0.00 0.00 O+0 HETATM 58 S UNK 0 -7.822 6.448 -0.826 0.00 0.00 S+0 HETATM 59 O UNK 0 -8.790 5.312 -1.007 0.00 0.00 O+0 HETATM 60 O UNK 0 -8.451 7.367 0.192 0.00 0.00 O+0 HETATM 61 O UNK 0 -7.714 7.255 -2.301 0.00 0.00 O+0 HETATM 62 O UNK 0 -4.668 4.228 1.176 0.00 0.00 O+0 HETATM 63 S UNK 0 -3.527 5.377 1.521 0.00 0.00 S+0 HETATM 64 O UNK 0 -2.410 4.752 2.337 0.00 0.00 O+0 HETATM 65 O UNK 0 -2.842 5.926 0.279 0.00 0.00 O+0 HETATM 66 O UNK 0 -4.172 6.688 2.360 0.00 0.00 O+0 HETATM 67 C UNK 0 -1.801 0.614 -0.273 0.00 0.00 C+0 HETATM 68 C UNK 0 -1.640 0.854 -1.757 0.00 0.00 C+0 HETATM 69 O UNK 0 -1.268 1.548 0.568 0.00 0.00 O+0 HETATM 70 C UNK 0 -0.269 1.675 1.440 0.00 0.00 C+0 HETATM 71 O UNK 0 -0.450 1.662 2.686 0.00 0.00 O+0 HETATM 72 H UNK 0 2.335 3.410 -2.277 0.00 0.00 H+0 HETATM 73 H UNK 0 0.756 2.906 -2.920 0.00 0.00 H+0 HETATM 74 H UNK 0 1.604 1.802 -1.839 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.367 3.246 -0.864 0.00 0.00 H+0 HETATM 76 H UNK 0 0.742 4.635 -1.010 0.00 0.00 H+0 HETATM 77 H UNK 0 0.865 3.971 1.195 0.00 0.00 H+0 HETATM 78 H UNK 0 2.677 4.848 0.235 0.00 0.00 H+0 HETATM 79 H UNK 0 3.297 3.279 -0.489 0.00 0.00 H+0 HETATM 80 H UNK 0 3.293 3.615 1.337 0.00 0.00 H+0 HETATM 81 H UNK 0 1.808 1.849 1.995 0.00 0.00 H+0 HETATM 82 H UNK 0 0.897 0.236 -0.307 0.00 0.00 H+0 HETATM 83 H UNK 0 3.941 1.347 1.548 0.00 0.00 H+0 HETATM 84 H UNK 0 6.152 0.226 1.219 0.00 0.00 H+0 HETATM 85 H UNK 0 5.446 -0.571 -0.212 0.00 0.00 H+0 HETATM 86 H UNK 0 4.908 0.695 -2.233 0.00 0.00 H+0 HETATM 87 H UNK 0 5.198 2.747 -3.503 0.00 0.00 H+0 HETATM 88 H UNK 0 4.718 4.638 -4.052 0.00 0.00 H+0 HETATM 89 H UNK 0 6.482 4.508 -4.557 0.00 0.00 H+0 HETATM 90 H UNK 0 5.740 6.110 -4.313 0.00 0.00 H+0 HETATM 91 H UNK 0 6.227 2.695 1.282 0.00 0.00 H+0 HETATM 92 H UNK 0 2.900 0.428 3.948 0.00 0.00 H+0 HETATM 93 H UNK 0 4.610 -0.137 4.427 0.00 0.00 H+0 HETATM 94 H UNK 0 4.356 1.292 3.438 0.00 0.00 H+0 HETATM 95 H UNK 0 2.994 -3.532 3.432 0.00 0.00 H+0 HETATM 96 H UNK 0 4.639 -4.779 2.786 0.00 0.00 H+0 HETATM 97 H UNK 0 2.477 -5.782 2.442 0.00 0.00 H+0 HETATM 98 H UNK 0 3.764 -6.410 1.423 0.00 0.00 H+0 HETATM 99 H UNK 0 2.569 -5.380 0.622 0.00 0.00 H+0 HETATM 100 H UNK 0 5.427 -5.333 0.585 0.00 0.00 H+0 HETATM 101 H UNK 0 4.581 -3.991 -0.174 0.00 0.00 H+0 HETATM 102 H UNK 0 6.738 -3.678 2.033 0.00 0.00 H+0 HETATM 103 H UNK 0 6.010 -2.383 1.043 0.00 0.00 H+0 HETATM 104 H UNK 0 7.010 -3.593 0.229 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.466 -2.140 1.166 0.00 0.00 H+0 HETATM 106 H UNK 0 0.323 -4.910 1.933 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.442 -4.434 2.083 0.00 0.00 H+0 HETATM 108 H UNK 0 0.303 -3.899 4.041 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.892 -2.637 3.500 0.00 0.00 H+0 HETATM 110 H UNK 0 0.707 -1.268 2.551 0.00 0.00 H+0 HETATM 111 H UNK 0 1.398 -1.345 4.605 0.00 0.00 H+0 HETATM 112 H UNK 0 -0.411 -4.225 -1.012 0.00 0.00 H+0 HETATM 113 H UNK 0 -3.349 -3.847 0.791 0.00 0.00 H+0 HETATM 114 H UNK 0 -4.560 -2.050 -1.309 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.437 -2.773 0.142 0.00 0.00 H+0 HETATM 116 H UNK 0 -3.890 -4.350 -1.975 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.720 -5.028 -0.560 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.848 -4.203 -1.290 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.117 -3.306 -2.692 0.00 0.00 H+0 HETATM 120 H UNK 0 -6.089 -7.024 -5.576 0.00 0.00 H+0 HETATM 121 H UNK 0 -5.680 -7.823 -4.015 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.121 -5.049 -5.269 0.00 0.00 H+0 HETATM 123 H UNK 0 -4.772 -3.768 -4.129 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.686 -2.017 2.068 0.00 0.00 H+0 HETATM 125 H UNK 0 -3.745 0.202 -1.003 0.00 0.00 H+0 HETATM 126 H UNK 0 -3.720 2.143 1.267 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.128 4.876 -0.661 0.00 0.00 H+0 HETATM 128 H UNK 0 -7.020 3.913 -0.283 0.00 0.00 H+0 HETATM 129 H UNK 0 -6.140 4.421 -1.814 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.777 7.204 -2.649 0.00 0.00 H+0 HETATM 131 H UNK 0 -4.618 6.324 3.188 0.00 0.00 H+0 HETATM 132 H UNK 0 -1.366 -0.384 -0.088 0.00 0.00 H+0 HETATM 133 H UNK 0 -1.863 1.866 -2.092 0.00 0.00 H+0 HETATM 134 H UNK 0 -0.662 0.516 -2.090 0.00 0.00 H+0 HETATM 135 H UNK 0 -2.419 0.195 -2.236 0.00 0.00 H+0 CONECT 1 2 72 73 74 CONECT 2 1 3 75 76 CONECT 3 2 4 5 77 CONECT 4 3 78 79 80 CONECT 5 3 6 70 81 CONECT 6 5 7 82 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 20 83 CONECT 10 9 11 84 85 CONECT 11 10 12 19 CONECT 12 11 13 86 CONECT 13 12 14 87 CONECT 14 13 15 17 CONECT 15 14 16 CONECT 16 15 88 89 90 CONECT 17 14 18 19 CONECT 18 17 CONECT 19 17 11 91 CONECT 20 9 21 22 CONECT 21 20 92 93 94 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 29 95 CONECT 25 24 26 27 96 CONECT 26 25 97 98 99 CONECT 27 25 28 100 101 CONECT 28 27 102 103 104 CONECT 29 24 30 35 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 37 105 CONECT 33 32 34 106 107 CONECT 34 33 35 108 109 CONECT 35 34 36 29 110 CONECT 36 35 111 CONECT 37 32 38 112 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 48 113 CONECT 41 40 42 114 115 CONECT 42 41 43 116 117 CONECT 43 42 44 118 119 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 120 121 CONECT 47 45 122 123 CONECT 48 40 49 124 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 67 125 CONECT 52 51 53 126 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 62 127 CONECT 56 55 57 128 129 CONECT 57 56 58 CONECT 58 57 59 60 61 CONECT 59 58 CONECT 60 58 CONECT 61 58 130 CONECT 62 55 63 CONECT 63 62 64 65 66 CONECT 64 63 CONECT 65 63 CONECT 66 63 131 CONECT 67 51 68 69 132 CONECT 68 67 133 134 135 CONECT 69 67 70 CONECT 70 69 71 5 CONECT 71 70 CONECT 72 1 CONECT 73 1 CONECT 74 1 CONECT 75 2 CONECT 76 2 CONECT 77 3 CONECT 78 4 CONECT 79 4 CONECT 80 4 CONECT 81 5 CONECT 82 6 CONECT 83 9 CONECT 84 10 CONECT 85 10 CONECT 86 12 CONECT 87 13 CONECT 88 16 CONECT 89 16 CONECT 90 16 CONECT 91 19 CONECT 92 21 CONECT 93 21 CONECT 94 21 CONECT 95 24 CONECT 96 25 CONECT 97 26 CONECT 98 26 CONECT 99 26 CONECT 100 27 CONECT 101 27 CONECT 102 28 CONECT 103 28 CONECT 104 28 CONECT 105 32 CONECT 106 33 CONECT 107 33 CONECT 108 34 CONECT 109 34 CONECT 110 35 CONECT 111 36 CONECT 112 37 CONECT 113 40 CONECT 114 41 CONECT 115 41 CONECT 116 42 CONECT 117 42 CONECT 118 43 CONECT 119 43 CONECT 120 46 CONECT 121 46 CONECT 122 47 CONECT 123 47 CONECT 124 48 CONECT 125 51 CONECT 126 52 CONECT 127 55 CONECT 128 56 CONECT 129 56 CONECT 130 61 CONECT 131 66 CONECT 132 67 CONECT 133 68 CONECT 134 68 CONECT 135 68 MASTER 0 0 0 0 0 0 0 0 135 0 274 0 END