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 2.300 7.428 0.182 0.00 0.00 C+0 HETATM 2 O UNK 0 2.240 6.084 0.540 0.00 0.00 O+0 HETATM 3 C UNK 0 0.992 5.542 0.247 0.00 0.00 C+0 HETATM 4 C UNK 0 0.790 5.704 -1.264 0.00 0.00 C+0 HETATM 5 C UNK 0 1.080 4.040 0.546 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.272 3.388 0.433 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.386 2.200 1.088 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.636 1.101 0.268 0.00 0.00 C+0 HETATM 9 C UNK 0 0.455 0.108 0.455 0.00 0.00 C+0 HETATM 10 C UNK 0 1.012 0.340 1.849 0.00 0.00 C+0 HETATM 11 C UNK 0 1.572 0.084 -0.500 0.00 0.00 C+0 HETATM 12 O UNK 0 2.523 -0.848 -0.100 0.00 0.00 O+0 HETATM 13 C UNK 0 3.734 -0.421 0.249 0.00 0.00 C+0 HETATM 14 O UNK 0 3.959 -0.739 1.588 0.00 0.00 O+0 HETATM 15 C UNK 0 3.883 -2.074 1.846 0.00 0.00 C+0 HETATM 16 C UNK 0 4.359 -2.263 3.296 0.00 0.00 C+0 HETATM 17 C UNK 0 4.586 -2.999 0.932 0.00 0.00 C+0 HETATM 18 C UNK 0 5.087 -2.446 -0.349 0.00 0.00 C+0 HETATM 19 N UNK 0 6.477 -2.850 -0.622 0.00 0.00 N+0 HETATM 20 C UNK 0 6.841 -2.213 -1.881 0.00 0.00 C+0 HETATM 21 C UNK 0 6.508 -4.279 -0.858 0.00 0.00 C+0 HETATM 22 C UNK 0 4.941 -0.960 -0.479 0.00 0.00 C+0 HETATM 23 O UNK 0 6.050 -0.415 0.226 0.00 0.00 O+0 HETATM 24 C UNK 0 1.303 -0.277 -1.911 0.00 0.00 C+0 HETATM 25 C UNK 0 2.536 0.019 -2.746 0.00 0.00 C+0 HETATM 26 O UNK 0 0.278 0.410 -2.526 0.00 0.00 O+0 HETATM 27 C UNK 0 1.081 -1.791 -2.065 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.406 -2.087 -2.196 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.723 -2.214 -3.664 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.654 -3.403 -1.546 0.00 0.00 C+0 HETATM 31 O UNK 0 0.026 -4.344 -1.947 0.00 0.00 O+0 HETATM 32 C UNK 0 -1.683 -3.580 -0.453 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.444 -4.974 0.137 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.068 -3.416 -0.970 0.00 0.00 C+0 HETATM 35 O UNK 0 -3.453 -4.613 -1.589 0.00 0.00 O+0 HETATM 36 C UNK 0 -4.077 -2.901 0.006 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.669 -3.095 1.429 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.529 -1.511 -0.348 0.00 0.00 C+0 HETATM 39 C UNK 0 -5.458 -0.961 0.687 0.00 0.00 C+0 HETATM 40 C UNK 0 -5.965 0.408 0.381 0.00 0.00 C+0 HETATM 41 C UNK 0 -7.255 0.462 1.214 0.00 0.00 C+0 HETATM 42 C UNK 0 -7.750 -0.943 1.302 0.00 0.00 C+0 HETATM 43 C UNK 0 -6.755 -1.778 0.574 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.468 -0.748 -0.741 0.00 0.00 O+0 HETATM 45 C UNK 0 -2.914 0.429 -0.470 0.00 0.00 C+0 HETATM 46 O UNK 0 -3.112 1.454 -1.172 0.00 0.00 O+0 HETATM 47 C UNK 0 -2.012 0.593 0.703 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.650 1.486 1.748 0.00 0.00 C+0 HETATM 49 O UNK 0 -1.317 4.202 0.816 0.00 0.00 O+0 HETATM 50 C UNK 0 -0.987 5.199 1.681 0.00 0.00 C+0 HETATM 51 C UNK 0 -0.389 4.763 2.980 0.00 0.00 C+0 HETATM 52 C UNK 0 -0.093 6.210 1.003 0.00 0.00 C+0 HETATM 53 O UNK 0 -0.913 6.955 0.143 0.00 0.00 O+0 HETATM 54 H UNK 0 1.555 8.063 0.701 0.00 0.00 H+0 HETATM 55 H UNK 0 3.295 7.864 0.405 0.00 0.00 H+0 HETATM 56 H UNK 0 2.136 7.583 -0.906 0.00 0.00 H+0 HETATM 57 H UNK 0 1.706 5.524 -1.827 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.031 4.997 -1.521 0.00 0.00 H+0 HETATM 59 H UNK 0 0.392 6.713 -1.506 0.00 0.00 H+0 HETATM 60 H UNK 0 1.757 3.653 -0.261 0.00 0.00 H+0 HETATM 61 H UNK 0 1.591 3.876 1.504 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.420 3.188 -0.670 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.681 1.532 -0.754 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.010 -0.902 0.486 0.00 0.00 H+0 HETATM 65 H UNK 0 1.327 -0.556 2.365 0.00 0.00 H+0 HETATM 66 H UNK 0 1.893 1.042 1.801 0.00 0.00 H+0 HETATM 67 H UNK 0 0.240 0.819 2.521 0.00 0.00 H+0 HETATM 68 H UNK 0 2.077 1.074 -0.469 0.00 0.00 H+0 HETATM 69 H UNK 0 3.830 0.709 0.210 0.00 0.00 H+0 HETATM 70 H UNK 0 2.791 -2.359 1.892 0.00 0.00 H+0 HETATM 71 H UNK 0 5.124 -1.483 3.506 0.00 0.00 H+0 HETATM 72 H UNK 0 3.530 -2.151 4.008 0.00 0.00 H+0 HETATM 73 H UNK 0 4.811 -3.273 3.362 0.00 0.00 H+0 HETATM 74 H UNK 0 5.479 -3.412 1.488 0.00 0.00 H+0 HETATM 75 H UNK 0 3.949 -3.917 0.756 0.00 0.00 H+0 HETATM 76 H UNK 0 4.496 -2.905 -1.181 0.00 0.00 H+0 HETATM 77 H UNK 0 5.925 -2.157 -2.510 0.00 0.00 H+0 HETATM 78 H UNK 0 7.239 -1.190 -1.736 0.00 0.00 H+0 HETATM 79 H UNK 0 7.565 -2.849 -2.460 0.00 0.00 H+0 HETATM 80 H UNK 0 7.521 -4.530 -1.283 0.00 0.00 H+0 HETATM 81 H UNK 0 6.419 -4.873 0.069 0.00 0.00 H+0 HETATM 82 H UNK 0 5.778 -4.546 -1.639 0.00 0.00 H+0 HETATM 83 H UNK 0 5.073 -0.604 -1.498 0.00 0.00 H+0 HETATM 84 H UNK 0 6.266 -0.998 1.000 0.00 0.00 H+0 HETATM 85 H UNK 0 3.144 0.752 -2.186 0.00 0.00 H+0 HETATM 86 H UNK 0 2.278 0.383 -3.767 0.00 0.00 H+0 HETATM 87 H UNK 0 3.143 -0.892 -2.866 0.00 0.00 H+0 HETATM 88 H UNK 0 0.610 1.282 -2.837 0.00 0.00 H+0 HETATM 89 H UNK 0 1.672 -2.229 -2.863 0.00 0.00 H+0 HETATM 90 H UNK 0 1.412 -2.242 -1.109 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.928 -1.266 -1.706 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.770 -2.457 -3.857 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.521 -1.244 -4.176 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.066 -3.010 -4.080 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.454 -2.797 0.296 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.553 -5.463 -0.308 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.300 -5.648 -0.045 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.202 -4.882 1.235 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.010 -2.672 -1.819 0.00 0.00 H+0 HETATM 100 H UNK 0 -4.415 -4.768 -1.569 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.981 -3.580 -0.126 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.817 -2.519 1.777 0.00 0.00 H+0 HETATM 103 H UNK 0 -3.499 -4.207 1.544 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.545 -2.902 2.111 0.00 0.00 H+0 HETATM 105 H UNK 0 -5.176 -1.649 -1.273 0.00 0.00 H+0 HETATM 106 H UNK 0 -5.060 -0.972 1.702 0.00 0.00 H+0 HETATM 107 H UNK 0 -6.194 0.567 -0.692 0.00 0.00 H+0 HETATM 108 H UNK 0 -5.347 1.237 0.776 0.00 0.00 H+0 HETATM 109 H UNK 0 -7.032 0.818 2.250 0.00 0.00 H+0 HETATM 110 H UNK 0 -7.976 1.181 0.777 0.00 0.00 H+0 HETATM 111 H UNK 0 -7.871 -1.323 2.332 0.00 0.00 H+0 HETATM 112 H UNK 0 -8.756 -1.015 0.822 0.00 0.00 H+0 HETATM 113 H UNK 0 -6.634 -2.800 0.940 0.00 0.00 H+0 HETATM 114 H UNK 0 -7.018 -1.744 -0.521 0.00 0.00 H+0 HETATM 115 H UNK 0 -1.893 -0.398 1.235 0.00 0.00 H+0 HETATM 116 H UNK 0 -3.247 2.302 1.271 0.00 0.00 H+0 HETATM 117 H UNK 0 -1.834 1.965 2.317 0.00 0.00 H+0 HETATM 118 H UNK 0 -3.297 0.910 2.443 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.945 5.745 1.929 0.00 0.00 H+0 HETATM 120 H UNK 0 0.582 5.291 3.156 0.00 0.00 H+0 HETATM 121 H UNK 0 -1.025 5.056 3.867 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.206 3.696 3.081 0.00 0.00 H+0 HETATM 123 H UNK 0 0.273 6.924 1.793 0.00 0.00 H+0 HETATM 124 H UNK 0 -1.736 7.168 0.684 0.00 0.00 H+0 CONECT 1 2 54 55 56 CONECT 2 1 3 CONECT 3 2 4 5 52 CONECT 4 3 57 58 59 CONECT 5 3 6 60 61 CONECT 6 5 7 49 62 CONECT 7 6 8 CONECT 8 7 9 47 63 CONECT 9 8 10 11 64 CONECT 10 9 65 66 67 CONECT 11 9 12 24 68 CONECT 12 11 13 CONECT 13 12 14 22 69 CONECT 14 13 15 CONECT 15 14 16 17 70 CONECT 16 15 71 72 73 CONECT 17 15 18 74 75 CONECT 18 17 19 22 76 CONECT 19 18 20 21 CONECT 20 19 77 78 79 CONECT 21 19 80 81 82 CONECT 22 18 23 13 83 CONECT 23 22 84 CONECT 24 11 25 26 27 CONECT 25 24 85 86 87 CONECT 26 24 88 CONECT 27 24 28 89 90 CONECT 28 27 29 30 91 CONECT 29 28 92 93 94 CONECT 30 28 31 32 CONECT 31 30 CONECT 32 30 33 34 95 CONECT 33 32 96 97 98 CONECT 34 32 35 36 99 CONECT 35 34 100 CONECT 36 34 37 38 101 CONECT 37 36 102 103 104 CONECT 38 36 39 44 105 CONECT 39 38 40 43 106 CONECT 40 39 41 107 108 CONECT 41 40 42 109 110 CONECT 42 41 43 111 112 CONECT 43 42 39 113 114 CONECT 44 38 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 8 115 CONECT 48 47 116 117 118 CONECT 49 6 50 CONECT 50 49 51 52 119 CONECT 51 50 120 121 122 CONECT 52 50 53 3 123 CONECT 53 52 124 CONECT 54 1 CONECT 55 1 CONECT 56 1 CONECT 57 4 CONECT 58 4 CONECT 59 4 CONECT 60 5 CONECT 61 5 CONECT 62 6 CONECT 63 8 CONECT 64 9 CONECT 65 10 CONECT 66 10 CONECT 67 10 CONECT 68 11 CONECT 69 13 CONECT 70 15 CONECT 71 16 CONECT 72 16 CONECT 73 16 CONECT 74 17 CONECT 75 17 CONECT 76 18 CONECT 77 20 CONECT 78 20 CONECT 79 20 CONECT 80 21 CONECT 81 21 CONECT 82 21 CONECT 83 22 CONECT 84 23 CONECT 85 25 CONECT 86 25 CONECT 87 25 CONECT 88 26 CONECT 89 27 CONECT 90 27 CONECT 91 28 CONECT 92 29 CONECT 93 29 CONECT 94 29 CONECT 95 32 CONECT 96 33 CONECT 97 33 CONECT 98 33 CONECT 99 34 CONECT 100 35 CONECT 101 36 CONECT 102 37 CONECT 103 37 CONECT 104 37 CONECT 105 38 CONECT 106 39 CONECT 107 40 CONECT 108 40 CONECT 109 41 CONECT 110 41 CONECT 111 42 CONECT 112 42 CONECT 113 43 CONECT 114 43 CONECT 115 47 CONECT 116 48 CONECT 117 48 CONECT 118 48 CONECT 119 50 CONECT 120 51 CONECT 121 51 CONECT 122 51 CONECT 123 52 CONECT 124 53 MASTER 0 0 0 0 0 0 0 0 124 0 254 0 END