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 -4.623 -7.369 -0.788 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.962 -6.071 -1.447 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.470 -4.911 -0.979 0.00 0.00 C+0 HETATM 4 N UNK 0 -3.625 -4.991 0.155 0.00 0.00 N+0 HETATM 5 C UNK 0 -2.597 -4.068 0.429 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.469 -3.691 1.629 0.00 0.00 O+0 HETATM 7 C UNK 0 -1.636 -3.497 -0.557 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.556 -4.453 -1.743 0.00 0.00 C+0 HETATM 9 N UNK 0 -0.297 -3.380 -0.006 0.00 0.00 N+0 HETATM 10 C UNK 0 0.201 -2.581 0.984 0.00 0.00 C+0 HETATM 11 O UNK 0 0.607 -3.257 2.062 0.00 0.00 O+0 HETATM 12 C UNK 0 0.401 -1.125 1.158 0.00 0.00 C+0 HETATM 13 N UNK 0 1.358 -0.467 0.302 0.00 0.00 N+0 HETATM 14 C UNK 0 2.451 -1.156 -0.270 0.00 0.00 C+0 HETATM 15 O UNK 0 2.404 -2.425 -0.037 0.00 0.00 O+0 HETATM 16 C UNK 0 3.599 -0.705 -1.031 0.00 0.00 C+0 HETATM 17 C UNK 0 4.621 -1.962 -0.738 0.00 0.00 C+0 HETATM 18 C UNK 0 4.981 -2.090 0.679 0.00 0.00 C+0 HETATM 19 C UNK 0 4.237 -2.508 1.720 0.00 0.00 C+0 HETATM 20 C UNK 0 4.727 -2.821 2.963 0.00 0.00 C+0 HETATM 21 C UNK 0 6.066 -2.729 3.253 0.00 0.00 C+0 HETATM 22 O UNK 0 6.541 -3.067 4.540 0.00 0.00 O+0 HETATM 23 C UNK 0 6.879 -2.308 2.234 0.00 0.00 C+0 HETATM 24 C UNK 0 6.378 -1.996 1.008 0.00 0.00 C+0 HETATM 25 N UNK 0 4.422 0.368 -0.524 0.00 0.00 N+0 HETATM 26 C UNK 0 5.598 0.836 -1.168 0.00 0.00 C+0 HETATM 27 O UNK 0 6.020 0.353 -2.207 0.00 0.00 O+0 HETATM 28 C UNK 0 6.373 1.988 -0.478 0.00 0.00 C+0 HETATM 29 N UNK 0 7.633 1.471 -0.139 0.00 0.00 N+0 HETATM 30 C UNK 0 8.791 0.972 0.227 0.00 0.00 C+0 HETATM 31 O UNK 0 8.590 0.288 1.549 0.00 0.00 O+0 HETATM 32 C UNK 0 10.157 0.751 0.052 0.00 0.00 C+0 HETATM 33 C UNK 0 11.053 1.130 -0.789 0.00 0.00 C+0 HETATM 34 C UNK 0 11.001 2.005 -1.956 0.00 0.00 C+0 HETATM 35 C UNK 0 12.445 0.446 -0.523 0.00 0.00 C+0 HETATM 36 C UNK 0 6.304 3.200 -1.396 0.00 0.00 C+0 HETATM 37 C UNK 0 4.783 3.528 -1.506 0.00 0.00 C+0 HETATM 38 C UNK 0 6.882 4.409 -0.709 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.845 -0.339 1.349 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.935 0.079 2.822 0.00 0.00 C+0 HETATM 41 O UNK 0 -0.906 0.808 0.580 0.00 0.00 O+0 HETATM 42 C UNK 0 -2.063 1.495 0.261 0.00 0.00 C+0 HETATM 43 O UNK 0 -2.147 2.727 0.495 0.00 0.00 O+0 HETATM 44 C UNK 0 -3.223 0.730 -0.376 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.078 1.841 -0.995 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.710 2.709 -0.002 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.383 3.924 -0.693 0.00 0.00 C+0 HETATM 48 C UNK 0 -6.043 4.621 0.453 0.00 0.00 C+0 HETATM 49 C UNK 0 -6.676 5.852 0.075 0.00 0.00 C+0 HETATM 50 C UNK 0 -5.948 7.042 0.293 0.00 0.00 C+0 HETATM 51 C UNK 0 -6.564 8.232 -0.011 0.00 0.00 C+0 HETATM 52 C UNK 0 -7.870 8.263 -0.517 0.00 0.00 C+0 HETATM 53 O UNK 0 -8.446 9.488 -0.819 0.00 0.00 O+0 HETATM 54 C UNK 0 -8.543 7.052 -0.713 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.953 5.841 -0.412 0.00 0.00 C+0 HETATM 56 N UNK 0 -3.980 0.053 0.654 0.00 0.00 N+0 HETATM 57 C UNK 0 -5.071 -0.752 0.740 0.00 0.00 C+0 HETATM 58 O UNK 0 -6.022 -0.254 1.536 0.00 0.00 O+0 HETATM 59 C UNK 0 -5.547 -2.031 0.212 0.00 0.00 C+0 HETATM 60 C UNK 0 -7.058 -1.768 -0.088 0.00 0.00 C+0 HETATM 61 C UNK 0 -7.790 -2.999 -0.506 0.00 0.00 C+0 HETATM 62 C UNK 0 -7.833 -3.904 0.640 0.00 0.00 C+0 HETATM 63 O UNK 0 -8.810 -3.791 1.464 0.00 0.00 O+0 HETATM 64 O UNK 0 -6.903 -4.859 0.903 0.00 0.00 O+0 HETATM 65 N UNK 0 -4.937 -2.402 -1.054 0.00 0.00 N+0 HETATM 66 C UNK 0 -4.837 -3.681 -1.625 0.00 0.00 C+0 HETATM 67 O UNK 0 -5.096 -3.826 -2.888 0.00 0.00 O+0 HETATM 68 H UNK 0 -4.928 -7.329 0.289 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.515 -7.538 -0.871 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.176 -8.192 -1.247 0.00 0.00 H+0 HETATM 71 H UNK 0 -5.632 -6.106 -2.294 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.782 -5.781 0.816 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.046 -2.550 -0.931 0.00 0.00 H+0 HETATM 74 H UNK 0 -1.659 -5.528 -1.394 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.183 -4.197 -2.588 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.498 -4.380 -2.125 0.00 0.00 H+0 HETATM 77 H UNK 0 0.438 -4.052 -0.449 0.00 0.00 H+0 HETATM 78 H UNK 0 0.985 -1.023 2.179 0.00 0.00 H+0 HETATM 79 H UNK 0 1.270 0.547 0.140 0.00 0.00 H+0 HETATM 80 H UNK 0 3.557 -0.770 -2.098 0.00 0.00 H+0 HETATM 81 H UNK 0 5.460 -1.807 -1.390 0.00 0.00 H+0 HETATM 82 H UNK 0 4.003 -2.813 -1.053 0.00 0.00 H+0 HETATM 83 H UNK 0 3.151 -2.585 1.662 0.00 0.00 H+0 HETATM 84 H UNK 0 4.052 -3.155 3.770 0.00 0.00 H+0 HETATM 85 H UNK 0 6.601 -2.389 5.275 0.00 0.00 H+0 HETATM 86 H UNK 0 7.930 -2.220 2.409 0.00 0.00 H+0 HETATM 87 H UNK 0 7.022 -1.657 0.161 0.00 0.00 H+0 HETATM 88 H UNK 0 4.075 0.797 0.386 0.00 0.00 H+0 HETATM 89 H UNK 0 5.691 2.213 0.385 0.00 0.00 H+0 HETATM 90 H UNK 0 7.230 1.544 1.203 0.00 0.00 H+0 HETATM 91 H UNK 0 10.597 0.003 0.871 0.00 0.00 H+0 HETATM 92 H UNK 0 11.235 3.044 -1.619 0.00 0.00 H+0 HETATM 93 H UNK 0 10.036 1.966 -2.448 0.00 0.00 H+0 HETATM 94 H UNK 0 11.797 1.724 -2.723 0.00 0.00 H+0 HETATM 95 H UNK 0 12.686 0.708 0.550 0.00 0.00 H+0 HETATM 96 H UNK 0 12.262 -0.639 -0.649 0.00 0.00 H+0 HETATM 97 H UNK 0 13.134 0.854 -1.220 0.00 0.00 H+0 HETATM 98 H UNK 0 6.630 3.078 -2.402 0.00 0.00 H+0 HETATM 99 H UNK 0 4.394 3.614 -0.478 0.00 0.00 H+0 HETATM 100 H UNK 0 4.640 4.553 -1.942 0.00 0.00 H+0 HETATM 101 H UNK 0 4.259 2.746 -2.050 0.00 0.00 H+0 HETATM 102 H UNK 0 7.103 5.213 -1.472 0.00 0.00 H+0 HETATM 103 H UNK 0 7.778 4.232 -0.121 0.00 0.00 H+0 HETATM 104 H UNK 0 6.083 4.915 -0.072 0.00 0.00 H+0 HETATM 105 H UNK 0 -1.755 -0.972 1.083 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.646 0.914 2.878 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.383 -0.801 3.384 0.00 0.00 H+0 HETATM 108 H UNK 0 0.055 0.350 3.177 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.883 0.016 -1.113 0.00 0.00 H+0 HETATM 110 H UNK 0 -3.434 2.347 -1.763 0.00 0.00 H+0 HETATM 111 H UNK 0 -4.890 1.301 -1.567 0.00 0.00 H+0 HETATM 112 H UNK 0 -5.601 2.160 0.508 0.00 0.00 H+0 HETATM 113 H UNK 0 -4.072 3.083 0.772 0.00 0.00 H+0 HETATM 114 H UNK 0 -6.050 3.552 -1.463 0.00 0.00 H+0 HETATM 115 H UNK 0 -4.584 4.532 -1.150 0.00 0.00 H+0 HETATM 116 H UNK 0 -6.804 3.879 0.849 0.00 0.00 H+0 HETATM 117 H UNK 0 -5.252 4.718 1.242 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.935 6.945 0.690 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.028 9.133 0.138 0.00 0.00 H+0 HETATM 120 H UNK 0 -8.948 9.953 -0.067 0.00 0.00 H+0 HETATM 121 H UNK 0 -9.564 7.069 -1.106 0.00 0.00 H+0 HETATM 122 H UNK 0 -8.494 4.931 -0.567 0.00 0.00 H+0 HETATM 123 H UNK 0 -3.543 0.275 1.645 0.00 0.00 H+0 HETATM 124 H UNK 0 -5.514 -2.831 0.960 0.00 0.00 H+0 HETATM 125 H UNK 0 -7.444 -1.502 0.947 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.150 -0.896 -0.723 0.00 0.00 H+0 HETATM 127 H UNK 0 -8.822 -2.630 -0.801 0.00 0.00 H+0 HETATM 128 H UNK 0 -7.384 -3.431 -1.418 0.00 0.00 H+0 HETATM 129 H UNK 0 -7.075 -5.810 0.610 0.00 0.00 H+0 HETATM 130 H UNK 0 -4.529 -1.591 -1.600 0.00 0.00 H+0 CONECT 1 2 68 69 70 CONECT 2 1 3 71 CONECT 3 2 4 66 CONECT 4 3 5 72 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 9 73 CONECT 8 7 74 75 76 CONECT 9 7 10 77 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 39 78 CONECT 13 12 14 79 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 25 80 CONECT 17 16 18 81 82 CONECT 18 17 19 24 CONECT 19 18 20 83 CONECT 20 19 21 84 CONECT 21 20 22 23 CONECT 22 21 85 CONECT 23 21 24 86 CONECT 24 23 18 87 CONECT 25 16 26 88 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 36 89 CONECT 29 28 30 90 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 91 CONECT 33 32 34 35 CONECT 34 33 92 93 94 CONECT 35 33 95 96 97 CONECT 36 28 37 38 98 CONECT 37 36 99 100 101 CONECT 38 36 102 103 104 CONECT 39 12 40 41 105 CONECT 40 39 106 107 108 CONECT 41 39 42 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 56 109 CONECT 45 44 46 110 111 CONECT 46 45 47 112 113 CONECT 47 46 48 114 115 CONECT 48 47 49 116 117 CONECT 49 48 50 55 CONECT 50 49 51 118 CONECT 51 50 52 119 CONECT 52 51 53 54 CONECT 53 52 120 CONECT 54 52 55 121 CONECT 55 54 49 122 CONECT 56 44 57 123 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 65 124 CONECT 60 59 61 125 126 CONECT 61 60 62 127 128 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 129 CONECT 65 59 66 130 CONECT 66 65 67 3 CONECT 67 66 CONECT 68 1 CONECT 69 1 CONECT 70 1 CONECT 71 2 CONECT 72 4 CONECT 73 7 CONECT 74 8 CONECT 75 8 CONECT 76 8 CONECT 77 9 CONECT 78 12 CONECT 79 13 CONECT 80 16 CONECT 81 17 CONECT 82 17 CONECT 83 19 CONECT 84 20 CONECT 85 22 CONECT 86 23 CONECT 87 24 CONECT 88 25 CONECT 89 28 CONECT 90 29 CONECT 91 32 CONECT 92 34 CONECT 93 34 CONECT 94 34 CONECT 95 35 CONECT 96 35 CONECT 97 35 CONECT 98 36 CONECT 99 37 CONECT 100 37 CONECT 101 37 CONECT 102 38 CONECT 103 38 CONECT 104 38 CONECT 105 39 CONECT 106 40 CONECT 107 40 CONECT 108 40 CONECT 109 44 CONECT 110 45 CONECT 111 45 CONECT 112 46 CONECT 113 46 CONECT 114 47 CONECT 115 47 CONECT 116 48 CONECT 117 48 CONECT 118 50 CONECT 119 51 CONECT 120 53 CONECT 121 54 CONECT 122 55 CONECT 123 56 CONECT 124 59 CONECT 125 60 CONECT 126 60 CONECT 127 61 CONECT 128 61 CONECT 129 64 CONECT 130 65 MASTER 0 0 0 0 0 0 0 0 130 0 264 0 END