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 14.924 -1.271 2.442 0.00 0.00 C+0 HETATM 2 C UNK 0 14.935 -0.056 1.514 0.00 0.00 C+0 HETATM 3 O UNK 0 16.326 0.113 1.220 0.00 0.00 O+0 HETATM 4 C UNK 0 14.187 -0.341 0.248 0.00 0.00 C+0 HETATM 5 N UNK 0 14.685 -1.557 -0.355 0.00 0.00 N+0 HETATM 6 C UNK 0 12.733 -0.305 0.410 0.00 0.00 C+0 HETATM 7 O UNK 0 12.034 -1.287 -0.031 0.00 0.00 O+0 HETATM 8 N UNK 0 11.991 0.732 1.013 0.00 0.00 N+0 HETATM 9 C UNK 0 10.508 0.681 1.085 0.00 0.00 C+0 HETATM 10 C UNK 0 10.082 1.502 -0.153 0.00 0.00 C+0 HETATM 11 O UNK 0 11.050 2.269 -0.479 0.00 0.00 O+0 HETATM 12 N UNK 0 8.888 1.412 -0.786 0.00 0.00 N+0 HETATM 13 C UNK 0 7.699 1.325 -1.420 0.00 0.00 C+0 HETATM 14 C UNK 0 7.815 0.408 -2.681 0.00 0.00 C+0 HETATM 15 C UNK 0 8.082 -0.988 -2.326 0.00 0.00 C+0 HETATM 16 C UNK 0 8.210 -1.995 -3.223 0.00 0.00 C+0 HETATM 17 N UNK 0 8.414 -3.161 -2.562 0.00 0.00 N+0 HETATM 18 C UNK 0 8.415 -2.814 -1.235 0.00 0.00 C+0 HETATM 19 N UNK 0 8.212 -1.502 -1.090 0.00 0.00 N+0 HETATM 20 C UNK 0 6.470 0.848 -0.693 0.00 0.00 C+0 HETATM 21 O UNK 0 6.283 1.136 0.498 0.00 0.00 O+0 HETATM 22 N UNK 0 5.564 0.080 -1.422 0.00 0.00 N+0 HETATM 23 C UNK 0 4.293 -0.514 -1.048 0.00 0.00 C+0 HETATM 24 C UNK 0 4.208 -1.990 -1.174 0.00 0.00 C+0 HETATM 25 O UNK 0 5.109 -2.683 -0.360 0.00 0.00 O+0 HETATM 26 C UNK 0 3.263 0.164 -1.819 0.00 0.00 C+0 HETATM 27 O UNK 0 3.279 1.447 -1.803 0.00 0.00 O+0 HETATM 28 N UNK 0 2.261 -0.464 -2.591 0.00 0.00 N+0 HETATM 29 C UNK 0 1.306 0.447 -3.277 0.00 0.00 C+0 HETATM 30 C UNK 0 0.501 1.032 -2.134 0.00 0.00 C+0 HETATM 31 O UNK 0 -0.185 2.033 -2.456 0.00 0.00 O+0 HETATM 32 N UNK 0 0.514 0.502 -0.877 0.00 0.00 N+0 HETATM 33 C UNK 0 -0.056 0.701 0.397 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.217 -0.405 1.312 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.983 -1.607 1.232 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.857 -2.645 0.176 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.180 -2.308 -1.226 0.00 0.00 C+0 HETATM 38 N UNK 0 -2.520 -1.809 -1.389 0.00 0.00 N+0 HETATM 39 C UNK 0 -1.129 1.729 0.363 0.00 0.00 C+0 HETATM 40 O UNK 0 -0.845 2.830 -0.156 0.00 0.00 O+0 HETATM 41 N UNK 0 -2.417 1.590 0.851 0.00 0.00 N+0 HETATM 42 C UNK 0 -3.492 2.580 0.885 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.718 3.185 -0.535 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.257 2.209 -1.465 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.582 1.224 -2.120 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.218 0.402 -3.039 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.537 0.547 -3.330 0.00 0.00 C+0 HETATM 48 O UNK 0 -6.167 -0.293 -4.265 0.00 0.00 O+0 HETATM 49 C UNK 0 -6.230 1.542 -2.678 0.00 0.00 C+0 HETATM 50 C UNK 0 -5.626 2.352 -1.777 0.00 0.00 C+0 HETATM 51 C UNK 0 -4.753 1.862 1.108 0.00 0.00 C+0 HETATM 52 O UNK 0 -4.744 0.715 0.460 0.00 0.00 O+0 HETATM 53 N UNK 0 -5.911 2.136 1.830 0.00 0.00 N+0 HETATM 54 C UNK 0 -6.965 1.132 1.811 0.00 0.00 C+0 HETATM 55 C UNK 0 -6.564 -0.246 2.120 0.00 0.00 C+0 HETATM 56 C UNK 0 -7.750 -1.176 2.200 0.00 0.00 C+0 HETATM 57 C UNK 0 -8.101 -2.085 1.251 0.00 0.00 C+0 HETATM 58 C UNK 0 -9.258 -2.877 1.418 0.00 0.00 C+0 HETATM 59 C UNK 0 -10.048 -2.755 2.527 0.00 0.00 C+0 HETATM 60 O UNK 0 -11.204 -3.545 2.688 0.00 0.00 O+0 HETATM 61 C UNK 0 -9.698 -1.833 3.503 0.00 0.00 C+0 HETATM 62 C UNK 0 -8.548 -1.053 3.321 0.00 0.00 C+0 HETATM 63 C UNK 0 -8.058 1.423 0.900 0.00 0.00 C+0 HETATM 64 O UNK 0 -8.762 2.473 1.147 0.00 0.00 O+0 HETATM 65 N UNK 0 -8.434 0.702 -0.238 0.00 0.00 N+0 HETATM 66 C UNK 0 -9.586 0.947 -1.087 0.00 0.00 C+0 HETATM 67 C UNK 0 -10.797 0.372 -0.492 0.00 0.00 C+0 HETATM 68 O UNK 0 -10.705 -0.254 0.593 0.00 0.00 O+0 HETATM 69 N UNK 0 -12.088 0.457 -1.066 0.00 0.00 N+0 HETATM 70 C UNK 0 -13.140 -0.308 -0.408 0.00 0.00 C+0 HETATM 71 C UNK 0 -14.247 -0.460 -1.354 0.00 0.00 C+0 HETATM 72 O UNK 0 -14.144 0.076 -2.474 0.00 0.00 O+0 HETATM 73 C UNK 0 -13.583 0.254 0.925 0.00 0.00 C+0 HETATM 74 C UNK 0 -14.594 -0.710 1.479 0.00 0.00 C+0 HETATM 75 N UNK 0 -15.110 -0.463 2.777 0.00 0.00 N+0 HETATM 76 O UNK 0 -14.986 -1.699 0.856 0.00 0.00 O+0 HETATM 77 C UNK 0 10.089 1.469 2.274 0.00 0.00 C+0 HETATM 78 C UNK 0 10.756 1.007 3.548 0.00 0.00 C+0 HETATM 79 O UNK 0 10.482 2.817 2.109 0.00 0.00 O+0 HETATM 80 H UNK 0 15.357 -2.116 1.819 0.00 0.00 H+0 HETATM 81 H UNK 0 15.503 -1.086 3.358 0.00 0.00 H+0 HETATM 82 H UNK 0 13.854 -1.538 2.600 0.00 0.00 H+0 HETATM 83 H UNK 0 14.567 0.812 2.070 0.00 0.00 H+0 HETATM 84 H UNK 0 16.465 -0.062 0.249 0.00 0.00 H+0 HETATM 85 H UNK 0 14.447 0.542 -0.452 0.00 0.00 H+0 HETATM 86 H UNK 0 14.168 -2.405 -0.106 0.00 0.00 H+0 HETATM 87 H UNK 0 14.923 -1.436 -1.351 0.00 0.00 H+0 HETATM 88 H UNK 0 12.450 1.541 1.436 0.00 0.00 H+0 HETATM 89 H UNK 0 10.097 -0.293 0.950 0.00 0.00 H+0 HETATM 90 H UNK 0 9.352 2.232 -1.764 0.00 0.00 H+0 HETATM 91 H UNK 0 7.340 2.290 -1.916 0.00 0.00 H+0 HETATM 92 H UNK 0 7.074 0.587 -3.380 0.00 0.00 H+0 HETATM 93 H UNK 0 8.806 0.827 -3.133 0.00 0.00 H+0 HETATM 94 H UNK 0 8.168 -1.967 -4.297 0.00 0.00 H+0 HETATM 95 H UNK 0 8.564 -3.603 -0.503 0.00 0.00 H+0 HETATM 96 H UNK 0 8.167 -0.976 -0.229 0.00 0.00 H+0 HETATM 97 H UNK 0 5.769 -0.177 -2.466 0.00 0.00 H+0 HETATM 98 H UNK 0 4.104 -0.283 0.063 0.00 0.00 H+0 HETATM 99 H UNK 0 3.164 -2.262 -0.798 0.00 0.00 H+0 HETATM 100 H UNK 0 4.213 -2.362 -2.210 0.00 0.00 H+0 HETATM 101 H UNK 0 4.667 -2.774 0.533 0.00 0.00 H+0 HETATM 102 H UNK 0 2.100 -1.471 -2.734 0.00 0.00 H+0 HETATM 103 H UNK 0 1.868 1.237 -3.758 0.00 0.00 H+0 HETATM 104 H UNK 0 0.708 -0.089 -3.990 0.00 0.00 H+0 HETATM 105 H UNK 0 1.189 -0.403 -0.830 0.00 0.00 H+0 HETATM 106 H UNK 0 0.774 1.388 0.886 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.363 0.022 2.384 0.00 0.00 H+0 HETATM 108 H UNK 0 0.886 -0.776 1.485 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.085 -1.508 1.520 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.688 -2.231 2.185 0.00 0.00 H+0 HETATM 111 H UNK 0 0.135 -3.164 0.216 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.563 -3.530 0.418 0.00 0.00 H+0 HETATM 113 H UNK 0 -0.463 -1.740 -1.792 0.00 0.00 H+0 HETATM 114 H UNK 0 -1.207 -3.327 -1.769 0.00 0.00 H+0 HETATM 115 H UNK 0 -2.987 -1.564 -0.498 0.00 0.00 H+0 HETATM 116 H UNK 0 -3.084 -2.312 -2.067 0.00 0.00 H+0 HETATM 117 H UNK 0 -2.656 0.655 1.259 0.00 0.00 H+0 HETATM 118 H UNK 0 -3.316 3.429 1.526 0.00 0.00 H+0 HETATM 119 H UNK 0 -4.428 4.046 -0.334 0.00 0.00 H+0 HETATM 120 H UNK 0 -2.823 3.659 -0.927 0.00 0.00 H+0 HETATM 121 H UNK 0 -2.522 1.072 -1.905 0.00 0.00 H+0 HETATM 122 H UNK 0 -3.615 -0.352 -3.528 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.576 -1.131 -3.871 0.00 0.00 H+0 HETATM 124 H UNK 0 -7.294 1.657 -2.909 0.00 0.00 H+0 HETATM 125 H UNK 0 -6.223 3.129 -1.286 0.00 0.00 H+0 HETATM 126 H UNK 0 -6.017 2.997 2.355 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.448 1.415 2.919 0.00 0.00 H+0 HETATM 128 H UNK 0 -6.065 -0.337 3.139 0.00 0.00 H+0 HETATM 129 H UNK 0 -5.869 -0.753 1.433 0.00 0.00 H+0 HETATM 130 H UNK 0 -7.489 -2.215 0.370 0.00 0.00 H+0 HETATM 131 H UNK 0 -9.538 -3.587 0.662 0.00 0.00 H+0 HETATM 132 H UNK 0 -12.105 -3.247 2.367 0.00 0.00 H+0 HETATM 133 H UNK 0 -10.310 -1.725 4.377 0.00 0.00 H+0 HETATM 134 H UNK 0 -8.235 -0.325 4.080 0.00 0.00 H+0 HETATM 135 H UNK 0 -7.828 -0.084 -0.563 0.00 0.00 H+0 HETATM 136 H UNK 0 -9.739 2.073 -1.124 0.00 0.00 H+0 HETATM 137 H UNK 0 -9.441 0.593 -2.120 0.00 0.00 H+0 HETATM 138 H UNK 0 -12.323 1.013 -1.907 0.00 0.00 H+0 HETATM 139 H UNK 0 -12.638 -1.307 -0.175 0.00 0.00 H+0 HETATM 140 H UNK 0 -15.164 -0.996 -1.186 0.00 0.00 H+0 HETATM 141 H UNK 0 -13.997 1.239 0.790 0.00 0.00 H+0 HETATM 142 H UNK 0 -12.724 0.281 1.638 0.00 0.00 H+0 HETATM 143 H UNK 0 -14.600 -0.801 3.622 0.00 0.00 H+0 HETATM 144 H UNK 0 -15.997 0.049 2.848 0.00 0.00 H+0 HETATM 145 H UNK 0 9.007 1.436 2.423 0.00 0.00 H+0 HETATM 146 H UNK 0 9.997 0.982 4.368 0.00 0.00 H+0 HETATM 147 H UNK 0 11.270 0.042 3.395 0.00 0.00 H+0 HETATM 148 H UNK 0 11.498 1.749 3.872 0.00 0.00 H+0 HETATM 149 H UNK 0 10.186 3.382 2.864 0.00 0.00 H+0 CONECT 1 2 80 81 82 CONECT 2 1 3 4 83 CONECT 3 2 84 CONECT 4 2 5 6 85 CONECT 5 4 86 87 CONECT 6 4 7 8 CONECT 7 6 CONECT 8 6 9 88 CONECT 9 8 10 77 89 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 90 CONECT 13 12 14 20 91 CONECT 14 13 15 92 93 CONECT 15 14 16 19 CONECT 16 15 17 94 CONECT 17 16 18 CONECT 18 17 19 95 CONECT 19 18 15 96 CONECT 20 13 21 22 CONECT 21 20 CONECT 22 20 23 97 CONECT 23 22 24 26 98 CONECT 24 23 25 99 100 CONECT 25 24 101 CONECT 26 23 27 28 CONECT 27 26 CONECT 28 26 29 102 CONECT 29 28 30 103 104 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 105 CONECT 33 32 34 39 106 CONECT 34 33 35 107 108 CONECT 35 34 36 109 110 CONECT 36 35 37 111 112 CONECT 37 36 38 113 114 CONECT 38 37 115 116 CONECT 39 33 40 41 CONECT 40 39 CONECT 41 39 42 117 CONECT 42 41 43 51 118 CONECT 43 42 44 119 120 CONECT 44 43 45 50 CONECT 45 44 46 121 CONECT 46 45 47 122 CONECT 47 46 48 49 CONECT 48 47 123 CONECT 49 47 50 124 CONECT 50 49 44 125 CONECT 51 42 52 53 CONECT 52 51 CONECT 53 51 54 126 CONECT 54 53 55 63 127 CONECT 55 54 56 128 129 CONECT 56 55 57 62 CONECT 57 56 58 130 CONECT 58 57 59 131 CONECT 59 58 60 61 CONECT 60 59 132 CONECT 61 59 62 133 CONECT 62 61 56 134 CONECT 63 54 64 65 CONECT 64 63 CONECT 65 63 66 135 CONECT 66 65 67 136 137 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 138 CONECT 70 69 71 73 139 CONECT 71 70 72 140 CONECT 72 71 CONECT 73 70 74 141 142 CONECT 74 73 75 76 CONECT 75 74 143 144 CONECT 76 74 CONECT 77 9 78 79 145 CONECT 78 77 146 147 148 CONECT 79 77 149 CONECT 80 1 CONECT 81 1 CONECT 82 1 CONECT 83 2 CONECT 84 3 CONECT 85 4 CONECT 86 5 CONECT 87 5 CONECT 88 8 CONECT 89 9 CONECT 90 12 CONECT 91 13 CONECT 92 14 CONECT 93 14 CONECT 94 16 CONECT 95 18 CONECT 96 19 CONECT 97 22 CONECT 98 23 CONECT 99 24 CONECT 100 24 CONECT 101 25 CONECT 102 28 CONECT 103 29 CONECT 104 29 CONECT 105 32 CONECT 106 33 CONECT 107 34 CONECT 108 34 CONECT 109 35 CONECT 110 35 CONECT 111 36 CONECT 112 36 CONECT 113 37 CONECT 114 37 CONECT 115 38 CONECT 116 38 CONECT 117 41 CONECT 118 42 CONECT 119 43 CONECT 120 43 CONECT 121 45 CONECT 122 46 CONECT 123 48 CONECT 124 49 CONECT 125 50 CONECT 126 53 CONECT 127 54 CONECT 128 55 CONECT 129 55 CONECT 130 57 CONECT 131 58 CONECT 132 60 CONECT 133 61 CONECT 134 62 CONECT 135 65 CONECT 136 66 CONECT 137 66 CONECT 138 69 CONECT 139 70 CONECT 140 71 CONECT 141 73 CONECT 142 73 CONECT 143 75 CONECT 144 75 CONECT 145 77 CONECT 146 78 CONECT 147 78 CONECT 148 78 CONECT 149 79 MASTER 0 0 0 0 0 0 0 0 149 0 302 0 END