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 9.127 7.187 -0.901 0.00 0.00 C+0 HETATM 2 C UNK 0 10.342 7.045 -0.886 0.00 0.00 C+0 HETATM 3 N UNK 0 10.924 5.731 -1.117 0.00 0.00 N+0 HETATM 4 C UNK 0 10.019 4.680 -1.350 0.00 0.00 C+0 HETATM 5 O UNK 0 8.800 4.906 -1.440 0.00 0.00 O+0 HETATM 6 C UNK 0 10.467 3.266 -1.472 0.00 0.00 C+0 HETATM 7 C UNK 0 11.778 2.919 -1.680 0.00 0.00 C+0 HETATM 8 S UNK 0 11.672 1.189 -1.384 0.00 0.00 S+0 HETATM 9 C UNK 0 10.051 1.071 -1.042 0.00 0.00 C+0 HETATM 10 C UNK 0 9.079 -0.007 -0.663 0.00 0.00 C+0 HETATM 11 N UNK 0 7.805 0.343 -0.509 0.00 0.00 N+0 HETATM 12 C UNK 0 6.800 -0.444 0.007 0.00 0.00 C+0 HETATM 13 C UNK 0 7.122 -1.699 0.420 0.00 0.00 C+0 HETATM 14 C UNK 0 8.476 -2.089 0.255 0.00 0.00 C+0 HETATM 15 C UNK 0 9.431 -1.252 -0.281 0.00 0.00 C+0 HETATM 16 O UNK 0 10.764 -1.654 -0.455 0.00 0.00 O+0 HETATM 17 C UNK 0 6.302 -2.662 1.131 0.00 0.00 C+0 HETATM 18 N UNK 0 5.021 -2.584 1.363 0.00 0.00 N+0 HETATM 19 C UNK 0 4.392 -3.470 2.073 0.00 0.00 C+0 HETATM 20 C UNK 0 5.149 -4.512 2.579 0.00 0.00 C+0 HETATM 21 S UNK 0 6.712 -4.121 1.979 0.00 0.00 S+0 HETATM 22 C UNK 0 2.923 -3.341 2.297 0.00 0.00 C+0 HETATM 23 O UNK 0 2.541 -3.475 3.525 0.00 0.00 O+0 HETATM 24 N UNK 0 1.930 -3.100 1.347 0.00 0.00 N+0 HETATM 25 C UNK 0 2.028 -3.391 -0.084 0.00 0.00 C+0 HETATM 26 C UNK 0 2.004 -4.892 -0.310 0.00 0.00 C+0 HETATM 27 C UNK 0 2.122 -5.227 -1.780 0.00 0.00 C+0 HETATM 28 O UNK 0 3.077 -5.494 0.382 0.00 0.00 O+0 HETATM 29 C UNK 0 0.971 -2.668 -0.798 0.00 0.00 C+0 HETATM 30 O UNK 0 1.210 -1.402 -0.932 0.00 0.00 O+0 HETATM 31 N UNK 0 -0.228 -3.100 -1.349 0.00 0.00 N+0 HETATM 32 C UNK 0 -1.089 -4.124 -0.859 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.593 -4.981 -1.721 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.489 -6.067 -1.292 0.00 0.00 C+0 HETATM 35 O UNK 0 -1.289 -4.898 -3.090 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.283 -5.997 -3.973 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.450 -4.283 0.559 0.00 0.00 C+0 HETATM 38 N UNK 0 -1.876 -3.330 1.360 0.00 0.00 N+0 HETATM 39 C UNK 0 -2.142 -3.590 2.600 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.955 -4.883 3.030 0.00 0.00 C+0 HETATM 41 S UNK 0 -1.409 -5.643 1.586 0.00 0.00 S+0 HETATM 42 C UNK 0 -2.635 -2.460 3.447 0.00 0.00 C+0 HETATM 43 O UNK 0 -2.336 -2.409 4.670 0.00 0.00 O+0 HETATM 44 N UNK 0 -3.441 -1.409 2.958 0.00 0.00 N+0 HETATM 45 C UNK 0 -3.456 -0.864 1.618 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.818 -0.892 1.028 0.00 0.00 C+0 HETATM 47 O UNK 0 -5.313 -2.218 0.922 0.00 0.00 O+0 HETATM 48 C UNK 0 -5.104 -0.112 -0.202 0.00 0.00 C+0 HETATM 49 O UNK 0 -6.502 -0.052 -0.299 0.00 0.00 O+0 HETATM 50 C UNK 0 -7.014 1.228 -0.466 0.00 0.00 C+0 HETATM 51 C UNK 0 -8.082 1.346 -1.496 0.00 0.00 C+0 HETATM 52 C UNK 0 -9.475 1.464 -0.861 0.00 0.00 C+0 HETATM 53 C UNK 0 -9.677 0.188 -0.062 0.00 0.00 C+0 HETATM 54 O UNK 0 -10.406 1.476 -1.880 0.00 0.00 O+0 HETATM 55 C UNK 0 -9.586 2.617 0.078 0.00 0.00 C+0 HETATM 56 N UNK 0 -9.955 3.865 -0.504 0.00 0.00 N+0 HETATM 57 C UNK 0 -10.146 4.830 0.593 0.00 0.00 C+0 HETATM 58 C UNK 0 -11.193 3.855 -1.236 0.00 0.00 C+0 HETATM 59 C UNK 0 -8.252 2.750 0.778 0.00 0.00 C+0 HETATM 60 C UNK 0 -7.361 3.810 0.183 0.00 0.00 C+0 HETATM 61 O UNK 0 -7.586 1.541 0.800 0.00 0.00 O+0 HETATM 62 C UNK 0 -4.618 -0.806 -1.429 0.00 0.00 C+0 HETATM 63 O UNK 0 -3.412 -1.067 -1.571 0.00 0.00 O+0 HETATM 64 O UNK 0 -5.536 -1.154 -2.415 0.00 0.00 O+0 HETATM 65 C UNK 0 -2.904 0.549 1.754 0.00 0.00 C+0 HETATM 66 N UNK 0 -1.748 0.864 1.305 0.00 0.00 N+0 HETATM 67 C UNK 0 -1.236 2.066 1.391 0.00 0.00 C+0 HETATM 68 C UNK 0 -2.073 2.991 2.030 0.00 0.00 C+0 HETATM 69 S UNK 0 -3.441 2.033 2.400 0.00 0.00 S+0 HETATM 70 C UNK 0 0.080 2.375 0.783 0.00 0.00 C+0 HETATM 71 O UNK 0 0.057 3.571 0.178 0.00 0.00 O+0 HETATM 72 N UNK 0 1.270 1.709 0.711 0.00 0.00 N+0 HETATM 73 C UNK 0 2.418 1.449 1.557 0.00 0.00 C+0 HETATM 74 C UNK 0 2.268 0.446 2.605 0.00 0.00 C+0 HETATM 75 O UNK 0 1.243 0.832 3.527 0.00 0.00 O+0 HETATM 76 C UNK 0 3.527 1.050 0.599 0.00 0.00 C+0 HETATM 77 N UNK 0 4.634 0.452 0.761 0.00 0.00 N+0 HETATM 78 C UNK 0 5.474 0.219 -0.185 0.00 0.00 C+0 HETATM 79 C UNK 0 5.038 0.707 -1.476 0.00 0.00 C+0 HETATM 80 S UNK 0 3.546 1.395 -1.130 0.00 0.00 S+0 HETATM 81 N UNK 0 9.635 2.319 -1.164 0.00 0.00 N+0 HETATM 82 C UNK 0 11.364 8.087 -0.621 0.00 0.00 C+0 HETATM 83 N UNK 0 12.745 7.794 -0.642 0.00 0.00 N+0 HETATM 84 O UNK 0 11.026 9.283 -0.364 0.00 0.00 O+0 HETATM 85 H UNK 0 8.107 7.338 -0.908 0.00 0.00 H+0 HETATM 86 H UNK 0 9.186 8.525 -0.594 0.00 0.00 H+0 HETATM 87 H UNK 0 11.948 5.611 -1.113 0.00 0.00 H+0 HETATM 88 H UNK 0 12.629 3.533 -1.960 0.00 0.00 H+0 HETATM 89 H UNK 0 8.803 -3.076 0.549 0.00 0.00 H+0 HETATM 90 H UNK 0 11.029 -2.605 -0.160 0.00 0.00 H+0 HETATM 91 H UNK 0 4.892 -5.372 3.193 0.00 0.00 H+0 HETATM 92 H UNK 0 1.023 -2.673 1.690 0.00 0.00 H+0 HETATM 93 H UNK 0 3.055 -3.051 -0.377 0.00 0.00 H+0 HETATM 94 H UNK 0 1.111 -5.392 0.056 0.00 0.00 H+0 HETATM 95 H UNK 0 3.146 -5.568 -2.063 0.00 0.00 H+0 HETATM 96 H UNK 0 1.831 -4.283 -2.323 0.00 0.00 H+0 HETATM 97 H UNK 0 1.353 -5.970 -2.093 0.00 0.00 H+0 HETATM 98 H UNK 0 2.728 -5.666 1.311 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.550 -2.610 -2.244 0.00 0.00 H+0 HETATM 100 H UNK 0 -3.321 -5.660 -0.645 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.961 -6.811 -0.656 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.936 -6.622 -2.122 0.00 0.00 H+0 HETATM 103 H UNK 0 -0.550 -6.761 -3.629 0.00 0.00 H+0 HETATM 104 H UNK 0 -2.271 -6.475 -4.057 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.899 -5.619 -4.955 0.00 0.00 H+0 HETATM 106 H UNK 0 -2.112 -5.308 4.031 0.00 0.00 H+0 HETATM 107 H UNK 0 -4.122 -0.941 3.647 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.786 -1.373 0.906 0.00 0.00 H+0 HETATM 109 H UNK 0 -5.517 -0.456 1.829 0.00 0.00 H+0 HETATM 110 H UNK 0 -5.385 -2.427 -0.014 0.00 0.00 H+0 HETATM 111 H UNK 0 -4.614 0.861 -0.188 0.00 0.00 H+0 HETATM 112 H UNK 0 -6.179 1.919 -0.654 0.00 0.00 H+0 HETATM 113 H UNK 0 -8.169 0.391 -2.098 0.00 0.00 H+0 HETATM 114 H UNK 0 -7.956 2.134 -2.245 0.00 0.00 H+0 HETATM 115 H UNK 0 -9.912 0.413 1.001 0.00 0.00 H+0 HETATM 116 H UNK 0 -8.782 -0.456 -0.048 0.00 0.00 H+0 HETATM 117 H UNK 0 -10.518 -0.426 -0.442 0.00 0.00 H+0 HETATM 118 H UNK 0 -11.197 0.937 -1.652 0.00 0.00 H+0 HETATM 119 H UNK 0 -10.316 2.306 0.894 0.00 0.00 H+0 HETATM 120 H UNK 0 -11.234 5.026 0.713 0.00 0.00 H+0 HETATM 121 H UNK 0 -9.643 5.782 0.345 0.00 0.00 H+0 HETATM 122 H UNK 0 -9.830 4.428 1.579 0.00 0.00 H+0 HETATM 123 H UNK 0 -11.974 3.251 -0.726 0.00 0.00 H+0 HETATM 124 H UNK 0 -11.574 4.923 -1.215 0.00 0.00 H+0 HETATM 125 H UNK 0 -11.091 3.630 -2.316 0.00 0.00 H+0 HETATM 126 H UNK 0 -8.415 3.027 1.857 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.522 4.805 0.707 0.00 0.00 H+0 HETATM 128 H UNK 0 -6.287 3.584 0.423 0.00 0.00 H+0 HETATM 129 H UNK 0 -7.508 3.979 -0.881 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.118 -0.406 -2.783 0.00 0.00 H+0 HETATM 131 H UNK 0 -1.888 4.060 2.231 0.00 0.00 H+0 HETATM 132 H UNK 0 1.441 1.260 -0.316 0.00 0.00 H+0 HETATM 133 H UNK 0 2.850 2.386 2.020 0.00 0.00 H+0 HETATM 134 H UNK 0 2.065 -0.586 2.258 0.00 0.00 H+0 HETATM 135 H UNK 0 3.167 0.347 3.274 0.00 0.00 H+0 HETATM 136 H UNK 0 1.428 0.437 4.415 0.00 0.00 H+0 HETATM 137 H UNK 0 5.589 0.633 -2.419 0.00 0.00 H+0 HETATM 138 H UNK 0 13.143 7.213 -1.391 0.00 0.00 H+0 HETATM 139 H UNK 0 13.353 8.177 0.112 0.00 0.00 H+0 CONECT 1 2 85 86 CONECT 2 1 3 82 CONECT 3 2 4 87 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 81 CONECT 7 6 8 88 CONECT 8 7 9 CONECT 9 8 10 81 CONECT 10 9 11 15 CONECT 11 10 12 CONECT 12 11 13 78 CONECT 13 12 14 17 CONECT 14 13 15 89 CONECT 15 14 16 10 CONECT 16 15 90 CONECT 17 13 18 21 CONECT 18 17 19 CONECT 19 18 20 22 CONECT 20 19 21 91 CONECT 21 20 17 CONECT 22 19 23 24 CONECT 23 22 CONECT 24 22 25 92 CONECT 25 24 26 29 93 CONECT 26 25 27 28 94 CONECT 27 26 95 96 97 CONECT 28 26 98 CONECT 29 25 30 31 CONECT 30 29 CONECT 31 29 32 99 CONECT 32 31 33 37 CONECT 33 32 34 35 CONECT 34 33 100 101 102 CONECT 35 33 36 CONECT 36 35 103 104 105 CONECT 37 32 38 41 CONECT 38 37 39 CONECT 39 38 40 42 CONECT 40 39 41 106 CONECT 41 40 37 CONECT 42 39 43 44 CONECT 43 42 CONECT 44 42 45 107 CONECT 45 44 46 65 108 CONECT 46 45 47 48 109 CONECT 47 46 110 CONECT 48 46 49 62 111 CONECT 49 48 50 CONECT 50 49 51 61 112 CONECT 51 50 52 113 114 CONECT 52 51 53 54 55 CONECT 53 52 115 116 117 CONECT 54 52 118 CONECT 55 52 56 59 119 CONECT 56 55 57 58 CONECT 57 56 120 121 122 CONECT 58 56 123 124 125 CONECT 59 55 60 61 126 CONECT 60 59 127 128 129 CONECT 61 59 50 CONECT 62 48 63 64 CONECT 63 62 CONECT 64 62 130 CONECT 65 45 66 69 CONECT 66 65 67 CONECT 67 66 68 70 CONECT 68 67 69 131 CONECT 69 68 65 CONECT 70 67 71 72 CONECT 71 70 CONECT 72 70 73 132 CONECT 73 72 74 76 133 CONECT 74 73 75 134 135 CONECT 75 74 136 CONECT 76 73 77 80 CONECT 77 76 78 CONECT 78 77 79 12 CONECT 79 78 80 137 CONECT 80 79 76 CONECT 81 9 6 CONECT 82 2 83 84 CONECT 83 82 138 139 CONECT 84 82 CONECT 85 1 CONECT 86 1 CONECT 87 3 CONECT 88 7 CONECT 89 14 CONECT 90 16 CONECT 91 20 CONECT 92 24 CONECT 93 25 CONECT 94 26 CONECT 95 27 CONECT 96 27 CONECT 97 27 CONECT 98 28 CONECT 99 31 CONECT 100 34 CONECT 101 34 CONECT 102 34 CONECT 103 36 CONECT 104 36 CONECT 105 36 CONECT 106 40 CONECT 107 44 CONECT 108 45 CONECT 109 46 CONECT 110 47 CONECT 111 48 CONECT 112 50 CONECT 113 51 CONECT 114 51 CONECT 115 53 CONECT 116 53 CONECT 117 53 CONECT 118 54 CONECT 119 55 CONECT 120 57 CONECT 121 57 CONECT 122 57 CONECT 123 58 CONECT 124 58 CONECT 125 58 CONECT 126 59 CONECT 127 60 CONECT 128 60 CONECT 129 60 CONECT 130 64 CONECT 131 68 CONECT 132 72 CONECT 133 73 CONECT 134 74 CONECT 135 74 CONECT 136 75 CONECT 137 79 CONECT 138 83 CONECT 139 83 MASTER 0 0 0 0 0 0 0 0 139 0 292 0 END