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 -3.449 8.332 -3.323 0.00 0.00 C+0 HETATM 2 S UNK 0 -3.235 7.256 -1.906 0.00 0.00 S+0 HETATM 3 C UNK 0 -2.891 5.548 -2.481 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.724 4.719 -1.234 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.426 3.259 -1.520 0.00 0.00 C+0 HETATM 6 N UNK 0 -2.288 2.615 -0.244 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.925 1.426 0.189 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.322 0.756 1.053 0.00 0.00 O+0 HETATM 9 C UNK 0 -4.209 0.950 -0.298 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.221 0.972 0.830 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.901 0.128 2.003 0.00 0.00 C+0 HETATM 12 C UNK 0 -6.024 0.302 2.988 0.00 0.00 C+0 HETATM 13 C UNK 0 -7.151 -0.492 2.983 0.00 0.00 C+0 HETATM 14 C UNK 0 -8.164 -0.315 3.903 0.00 0.00 C+0 HETATM 15 C UNK 0 -8.092 0.661 4.867 0.00 0.00 C+0 HETATM 16 C UNK 0 -6.968 1.467 4.887 0.00 0.00 C+0 HETATM 17 C UNK 0 -5.958 1.287 3.966 0.00 0.00 C+0 HETATM 18 N UNK 0 -4.204 -0.304 -1.024 0.00 0.00 N+0 HETATM 19 C UNK 0 -4.763 -0.218 -2.402 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.774 -1.556 -0.617 0.00 0.00 C+0 HETATM 21 O UNK 0 -4.687 -2.484 -0.662 0.00 0.00 O+0 HETATM 22 C UNK 0 -2.476 -2.068 -0.136 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.390 -3.594 -0.356 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.507 -3.975 -1.799 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.413 -5.453 -1.871 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.553 -6.207 -1.738 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.498 -7.582 -1.803 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.299 -8.247 -2.004 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.162 -7.504 -2.137 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.217 -6.123 -2.071 0.00 0.00 C+0 HETATM 31 N UNK 0 -1.322 -1.496 -0.789 0.00 0.00 N+0 HETATM 32 C UNK 0 0.026 -1.771 -0.480 0.00 0.00 C+0 HETATM 33 O UNK 0 0.802 -1.879 -1.496 0.00 0.00 O+0 HETATM 34 C UNK 0 0.639 -1.947 0.824 0.00 0.00 C+0 HETATM 35 C UNK 0 1.876 -2.858 0.720 0.00 0.00 C+0 HETATM 36 C UNK 0 2.477 -3.010 2.086 0.00 0.00 C+0 HETATM 37 C UNK 0 1.398 -4.207 0.203 0.00 0.00 C+0 HETATM 38 N UNK 0 0.958 -0.797 1.602 0.00 0.00 N+0 HETATM 39 C UNK 0 1.238 0.522 1.306 0.00 0.00 C+0 HETATM 40 O UNK 0 0.508 1.402 1.916 0.00 0.00 O+0 HETATM 41 C UNK 0 2.240 1.120 0.403 0.00 0.00 C+0 HETATM 42 N UNK 0 3.568 0.559 0.603 0.00 0.00 N+0 HETATM 43 C UNK 0 4.718 1.391 0.725 0.00 0.00 C+0 HETATM 44 O UNK 0 4.554 2.653 0.638 0.00 0.00 O+0 HETATM 45 N UNK 0 6.014 0.902 0.934 0.00 0.00 N+0 HETATM 46 C UNK 0 7.178 1.720 1.036 0.00 0.00 C+0 HETATM 47 C UNK 0 8.347 1.244 0.243 0.00 0.00 C+0 HETATM 48 C UNK 0 8.811 -0.095 0.623 0.00 0.00 C+0 HETATM 49 C UNK 0 9.760 -0.353 1.587 0.00 0.00 C+0 HETATM 50 C UNK 0 10.160 -1.636 1.911 0.00 0.00 C+0 HETATM 51 C UNK 0 9.600 -2.705 1.257 0.00 0.00 C+0 HETATM 52 C UNK 0 8.661 -2.487 0.300 0.00 0.00 C+0 HETATM 53 C UNK 0 8.261 -1.194 -0.023 0.00 0.00 C+0 HETATM 54 C UNK 0 7.600 1.933 2.452 0.00 0.00 C+0 HETATM 55 O UNK 0 6.900 1.396 3.351 0.00 0.00 O+0 HETATM 56 O UNK 0 8.689 2.669 2.828 0.00 0.00 O+0 HETATM 57 C UNK 0 1.837 1.126 -1.058 0.00 0.00 C+0 HETATM 58 C UNK 0 2.119 2.460 -1.728 0.00 0.00 C+0 HETATM 59 C UNK 0 1.491 3.540 -0.897 0.00 0.00 C+0 HETATM 60 C UNK 0 0.708 4.551 -1.720 0.00 0.00 C+0 HETATM 61 N UNK 0 -0.203 3.950 -2.656 0.00 0.00 N+0 HETATM 62 C UNK 0 -1.251 3.071 -2.418 0.00 0.00 C+0 HETATM 63 O UNK 0 -1.240 1.939 -3.038 0.00 0.00 O+0 HETATM 64 H UNK 0 -4.179 9.169 -3.121 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.449 8.790 -3.560 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.793 7.777 -4.208 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.769 5.186 -3.028 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.980 5.604 -3.079 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.731 4.702 -0.726 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.057 5.197 -0.525 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.358 2.907 -2.065 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.615 3.138 0.413 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.591 1.762 -0.996 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.382 2.020 1.169 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.236 0.649 0.449 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.002 0.488 2.537 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.875 -0.947 1.779 0.00 0.00 H+0 HETATM 78 H UNK 0 -7.206 -1.263 2.216 0.00 0.00 H+0 HETATM 79 H UNK 0 -9.049 -0.949 3.890 0.00 0.00 H+0 HETATM 80 H UNK 0 -8.885 0.813 5.606 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.891 2.241 5.640 0.00 0.00 H+0 HETATM 82 H UNK 0 -5.055 1.905 3.950 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.506 0.600 -2.466 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.953 0.029 -3.111 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.253 -1.131 -2.719 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.386 -1.967 0.973 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.554 -4.044 0.170 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.320 -3.992 0.151 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.656 -3.520 -2.389 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.422 -3.576 -2.229 0.00 0.00 H+0 HETATM 91 H UNK 0 -4.513 -5.735 -1.580 0.00 0.00 H+0 HETATM 92 H UNK 0 -4.379 -8.194 -1.703 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.221 -9.322 -2.059 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.195 -7.963 -2.291 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.305 -5.559 -2.183 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.540 -0.806 -1.572 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.093 -2.617 1.403 0.00 0.00 H+0 HETATM 98 H UNK 0 2.628 -2.488 0.033 0.00 0.00 H+0 HETATM 99 H UNK 0 2.945 -4.030 2.142 0.00 0.00 H+0 HETATM 100 H UNK 0 3.276 -2.262 2.223 0.00 0.00 H+0 HETATM 101 H UNK 0 1.730 -2.952 2.906 0.00 0.00 H+0 HETATM 102 H UNK 0 0.702 -4.042 -0.632 0.00 0.00 H+0 HETATM 103 H UNK 0 1.031 -4.865 1.001 0.00 0.00 H+0 HETATM 104 H UNK 0 2.292 -4.731 -0.234 0.00 0.00 H+0 HETATM 105 H UNK 0 0.982 -1.030 2.670 0.00 0.00 H+0 HETATM 106 H UNK 0 2.389 2.227 0.630 0.00 0.00 H+0 HETATM 107 H UNK 0 3.737 -0.477 0.669 0.00 0.00 H+0 HETATM 108 H UNK 0 6.147 -0.136 1.021 0.00 0.00 H+0 HETATM 109 H UNK 0 6.903 2.750 0.680 0.00 0.00 H+0 HETATM 110 H UNK 0 9.187 1.960 0.375 0.00 0.00 H+0 HETATM 111 H UNK 0 8.130 1.221 -0.852 0.00 0.00 H+0 HETATM 112 H UNK 0 10.214 0.459 2.116 0.00 0.00 H+0 HETATM 113 H UNK 0 10.906 -1.847 2.672 0.00 0.00 H+0 HETATM 114 H UNK 0 9.888 -3.740 1.483 0.00 0.00 H+0 HETATM 115 H UNK 0 8.222 -3.357 -0.217 0.00 0.00 H+0 HETATM 116 H UNK 0 7.508 -1.108 -0.797 0.00 0.00 H+0 HETATM 117 H UNK 0 8.602 3.692 2.748 0.00 0.00 H+0 HETATM 118 H UNK 0 2.379 0.331 -1.611 0.00 0.00 H+0 HETATM 119 H UNK 0 0.760 0.909 -1.115 0.00 0.00 H+0 HETATM 120 H UNK 0 3.212 2.614 -1.755 0.00 0.00 H+0 HETATM 121 H UNK 0 1.758 2.449 -2.765 0.00 0.00 H+0 HETATM 122 H UNK 0 2.208 4.102 -0.278 0.00 0.00 H+0 HETATM 123 H UNK 0 0.742 3.100 -0.199 0.00 0.00 H+0 HETATM 124 H UNK 0 1.488 5.140 -2.249 0.00 0.00 H+0 HETATM 125 H UNK 0 0.258 5.245 -1.000 0.00 0.00 H+0 HETATM 126 H UNK 0 -0.053 4.211 -3.686 0.00 0.00 H+0 CONECT 1 2 64 65 66 CONECT 2 1 3 CONECT 3 2 4 67 68 CONECT 4 3 5 69 70 CONECT 5 4 6 62 71 CONECT 6 5 7 72 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 18 73 CONECT 10 9 11 74 75 CONECT 11 10 12 76 77 CONECT 12 11 13 17 CONECT 13 12 14 78 CONECT 14 13 15 79 CONECT 15 14 16 80 CONECT 16 15 17 81 CONECT 17 16 12 82 CONECT 18 9 19 20 CONECT 19 18 83 84 85 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 31 86 CONECT 23 22 24 87 88 CONECT 24 23 25 89 90 CONECT 25 24 26 30 CONECT 26 25 27 91 CONECT 27 26 28 92 CONECT 28 27 29 93 CONECT 29 28 30 94 CONECT 30 29 25 95 CONECT 31 22 32 96 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 38 97 CONECT 35 34 36 37 98 CONECT 36 35 99 100 101 CONECT 37 35 102 103 104 CONECT 38 34 39 105 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 57 106 CONECT 42 41 43 107 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 108 CONECT 46 45 47 54 109 CONECT 47 46 48 110 111 CONECT 48 47 49 53 CONECT 49 48 50 112 CONECT 50 49 51 113 CONECT 51 50 52 114 CONECT 52 51 53 115 CONECT 53 52 48 116 CONECT 54 46 55 56 CONECT 55 54 CONECT 56 54 117 CONECT 57 41 58 118 119 CONECT 58 57 59 120 121 CONECT 59 58 60 122 123 CONECT 60 59 61 124 125 CONECT 61 60 62 126 CONECT 62 61 63 5 CONECT 63 62 CONECT 64 1 CONECT 65 1 CONECT 66 1 CONECT 67 3 CONECT 68 3 CONECT 69 4 CONECT 70 4 CONECT 71 5 CONECT 72 6 CONECT 73 9 CONECT 74 10 CONECT 75 10 CONECT 76 11 CONECT 77 11 CONECT 78 13 CONECT 79 14 CONECT 80 15 CONECT 81 16 CONECT 82 17 CONECT 83 19 CONECT 84 19 CONECT 85 19 CONECT 86 22 CONECT 87 23 CONECT 88 23 CONECT 89 24 CONECT 90 24 CONECT 91 26 CONECT 92 27 CONECT 93 28 CONECT 94 29 CONECT 95 30 CONECT 96 31 CONECT 97 34 CONECT 98 35 CONECT 99 36 CONECT 100 36 CONECT 101 36 CONECT 102 37 CONECT 103 37 CONECT 104 37 CONECT 105 38 CONECT 106 41 CONECT 107 42 CONECT 108 45 CONECT 109 46 CONECT 110 47 CONECT 111 47 CONECT 112 49 CONECT 113 50 CONECT 114 51 CONECT 115 52 CONECT 116 53 CONECT 117 56 CONECT 118 57 CONECT 119 57 CONECT 120 58 CONECT 121 58 CONECT 122 59 CONECT 123 59 CONECT 124 60 CONECT 125 60 CONECT 126 61 MASTER 0 0 0 0 0 0 0 0 126 0 258 0 END