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 2.233 0.164 -5.060 0.00 0.00 C+0 HETATM 2 S UNK 0 1.639 1.246 -3.778 0.00 0.00 S+0 HETATM 3 C UNK 0 0.332 0.522 -2.807 0.00 0.00 C+0 HETATM 4 S UNK 0 -0.488 1.783 -1.755 0.00 0.00 S+0 HETATM 5 C UNK 0 0.152 1.923 -0.104 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.865 1.557 0.965 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.339 0.681 2.031 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.304 -0.024 2.579 0.00 0.00 O+0 HETATM 9 N UNK 0 0.918 0.444 2.564 0.00 0.00 N+0 HETATM 10 C UNK 0 1.442 -0.940 2.409 0.00 0.00 C+0 HETATM 11 C UNK 0 1.831 1.304 3.290 0.00 0.00 C+0 HETATM 12 C UNK 0 1.529 1.755 4.669 0.00 0.00 C+0 HETATM 13 C UNK 0 2.577 0.741 4.458 0.00 0.00 C+0 HETATM 14 C UNK 0 4.022 1.070 4.617 0.00 0.00 C+0 HETATM 15 C UNK 0 2.566 2.267 2.426 0.00 0.00 C+0 HETATM 16 O UNK 0 2.169 3.476 2.649 0.00 0.00 O+0 HETATM 17 O UNK 0 3.489 1.839 1.571 0.00 0.00 O+0 HETATM 18 C UNK 0 4.838 1.805 1.416 0.00 0.00 C+0 HETATM 19 C UNK 0 5.418 0.693 0.578 0.00 0.00 C+0 HETATM 20 N UNK 0 6.838 0.550 0.914 0.00 0.00 N+0 HETATM 21 C UNK 0 7.871 0.975 0.032 0.00 0.00 C+0 HETATM 22 O UNK 0 7.565 1.487 -1.057 0.00 0.00 O+0 HETATM 23 C UNK 0 9.276 0.811 0.407 0.00 0.00 C+0 HETATM 24 N UNK 0 9.566 0.240 1.595 0.00 0.00 N+0 HETATM 25 C UNK 0 10.847 0.058 1.992 0.00 0.00 C+0 HETATM 26 C UNK 0 11.141 -0.531 3.210 0.00 0.00 C+0 HETATM 27 C UNK 0 12.421 -0.724 3.624 0.00 0.00 C+0 HETATM 28 C UNK 0 13.479 -0.336 2.843 0.00 0.00 C+0 HETATM 29 C UNK 0 13.234 0.253 1.625 0.00 0.00 C+0 HETATM 30 C UNK 0 11.917 0.440 1.220 0.00 0.00 C+0 HETATM 31 C UNK 0 11.636 1.029 -0.005 0.00 0.00 C+0 HETATM 32 C UNK 0 10.308 1.212 -0.408 0.00 0.00 C+0 HETATM 33 O UNK 0 9.989 1.792 -1.618 0.00 0.00 O+0 HETATM 34 C UNK 0 4.696 -0.576 0.613 0.00 0.00 C+0 HETATM 35 O UNK 0 4.626 -1.155 1.749 0.00 0.00 O+0 HETATM 36 N UNK 0 4.078 -1.218 -0.464 0.00 0.00 N+0 HETATM 37 C UNK 0 3.801 -0.613 -1.773 0.00 0.00 C+0 HETATM 38 C UNK 0 5.053 -0.299 -2.529 0.00 0.00 C+0 HETATM 39 C UNK 0 2.972 -1.502 -2.589 0.00 0.00 C+0 HETATM 40 O UNK 0 3.630 -2.245 -3.417 0.00 0.00 O+0 HETATM 41 N UNK 0 1.570 -1.644 -2.582 0.00 0.00 N+0 HETATM 42 C UNK 0 1.050 -2.886 -3.139 0.00 0.00 C+0 HETATM 43 C UNK 0 0.619 -0.715 -2.061 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.631 -1.405 -1.606 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.784 -1.570 -0.330 0.00 0.00 O+0 HETATM 46 N UNK 0 -1.677 -1.908 -2.374 0.00 0.00 N+0 HETATM 47 C UNK 0 -2.094 -3.296 -2.050 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.447 -1.288 -3.416 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.270 -1.454 -4.845 0.00 0.00 C+0 HETATM 50 C UNK 0 -3.359 -2.223 -4.194 0.00 0.00 C+0 HETATM 51 C UNK 0 -4.741 -1.830 -4.595 0.00 0.00 C+0 HETATM 52 C UNK 0 -3.228 -0.113 -2.866 0.00 0.00 C+0 HETATM 53 O UNK 0 -3.169 0.896 -3.594 0.00 0.00 O+0 HETATM 54 O UNK 0 -3.879 -0.227 -1.720 0.00 0.00 O+0 HETATM 55 C UNK 0 -5.072 -0.785 -1.296 0.00 0.00 C+0 HETATM 56 C UNK 0 -6.114 0.350 -1.465 0.00 0.00 C+0 HETATM 57 N UNK 0 -7.203 0.234 -0.568 0.00 0.00 N+0 HETATM 58 C UNK 0 -8.272 -0.690 -0.892 0.00 0.00 C+0 HETATM 59 O UNK 0 -8.182 -1.355 -1.930 0.00 0.00 O+0 HETATM 60 C UNK 0 -9.398 -0.790 0.019 0.00 0.00 C+0 HETATM 61 N UNK 0 -9.460 0.039 1.109 0.00 0.00 N+0 HETATM 62 C UNK 0 -10.502 0.017 1.950 0.00 0.00 C+0 HETATM 63 C UNK 0 -10.553 0.868 3.038 0.00 0.00 C+0 HETATM 64 C UNK 0 -11.633 0.865 3.916 0.00 0.00 C+0 HETATM 65 C UNK 0 -12.660 -0.038 3.644 0.00 0.00 C+0 HETATM 66 C UNK 0 -12.649 -0.898 2.578 0.00 0.00 C+0 HETATM 67 C UNK 0 -11.546 -0.859 1.724 0.00 0.00 C+0 HETATM 68 C UNK 0 -11.488 -1.691 0.635 0.00 0.00 C+0 HETATM 69 C UNK 0 -10.409 -1.677 -0.246 0.00 0.00 C+0 HETATM 70 O UNK 0 -10.467 -2.551 -1.289 0.00 0.00 O+0 HETATM 71 C UNK 0 -5.425 1.644 -1.529 0.00 0.00 C+0 HETATM 72 O UNK 0 -5.924 2.463 -2.402 0.00 0.00 O+0 HETATM 73 N UNK 0 -4.329 2.086 -0.789 0.00 0.00 N+0 HETATM 74 C UNK 0 -4.119 2.206 0.621 0.00 0.00 C+0 HETATM 75 C UNK 0 -4.156 0.957 1.430 0.00 0.00 C+0 HETATM 76 C UNK 0 -2.924 3.064 0.924 0.00 0.00 C+0 HETATM 77 O UNK 0 -3.061 4.325 0.710 0.00 0.00 O+0 HETATM 78 N UNK 0 -1.676 2.668 1.412 0.00 0.00 N+0 HETATM 79 C UNK 0 -1.127 3.487 2.492 0.00 0.00 C+0 HETATM 80 H UNK 0 1.753 -0.811 -5.084 0.00 0.00 H+0 HETATM 81 H UNK 0 2.054 0.610 -6.096 0.00 0.00 H+0 HETATM 82 H UNK 0 3.342 0.007 -4.966 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.482 0.275 -3.552 0.00 0.00 H+0 HETATM 84 H UNK 0 0.447 3.004 0.062 0.00 0.00 H+0 HETATM 85 H UNK 0 1.065 1.345 0.015 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.620 0.956 0.331 0.00 0.00 H+0 HETATM 87 H UNK 0 1.883 -1.095 1.399 0.00 0.00 H+0 HETATM 88 H UNK 0 0.661 -1.690 2.558 0.00 0.00 H+0 HETATM 89 H UNK 0 2.255 -1.168 3.116 0.00 0.00 H+0 HETATM 90 H UNK 0 0.549 1.499 5.117 0.00 0.00 H+0 HETATM 91 H UNK 0 1.881 2.758 4.990 0.00 0.00 H+0 HETATM 92 H UNK 0 2.312 -0.258 4.898 0.00 0.00 H+0 HETATM 93 H UNK 0 4.630 0.367 4.020 0.00 0.00 H+0 HETATM 94 H UNK 0 4.303 0.846 5.689 0.00 0.00 H+0 HETATM 95 H UNK 0 4.260 2.125 4.365 0.00 0.00 H+0 HETATM 96 H UNK 0 5.147 2.753 0.853 0.00 0.00 H+0 HETATM 97 H UNK 0 5.481 1.883 2.330 0.00 0.00 H+0 HETATM 98 H UNK 0 5.428 1.038 -0.501 0.00 0.00 H+0 HETATM 99 H UNK 0 7.122 0.129 1.822 0.00 0.00 H+0 HETATM 100 H UNK 0 10.323 -0.841 3.831 0.00 0.00 H+0 HETATM 101 H UNK 0 12.592 -1.189 4.580 0.00 0.00 H+0 HETATM 102 H UNK 0 14.479 -0.509 3.215 0.00 0.00 H+0 HETATM 103 H UNK 0 14.080 0.560 1.001 0.00 0.00 H+0 HETATM 104 H UNK 0 12.450 1.339 -0.632 0.00 0.00 H+0 HETATM 105 H UNK 0 10.658 2.132 -2.293 0.00 0.00 H+0 HETATM 106 H UNK 0 3.778 -2.213 -0.361 0.00 0.00 H+0 HETATM 107 H UNK 0 3.316 0.350 -1.493 0.00 0.00 H+0 HETATM 108 H UNK 0 5.023 -0.855 -3.502 0.00 0.00 H+0 HETATM 109 H UNK 0 5.158 0.761 -2.830 0.00 0.00 H+0 HETATM 110 H UNK 0 5.976 -0.714 -2.034 0.00 0.00 H+0 HETATM 111 H UNK 0 0.189 -2.772 -3.783 0.00 0.00 H+0 HETATM 112 H UNK 0 1.810 -3.435 -3.756 0.00 0.00 H+0 HETATM 113 H UNK 0 0.872 -3.556 -2.264 0.00 0.00 H+0 HETATM 114 H UNK 0 1.127 -0.346 -1.097 0.00 0.00 H+0 HETATM 115 H UNK 0 -1.736 -3.627 -1.069 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.670 -3.930 -2.827 0.00 0.00 H+0 HETATM 117 H UNK 0 -3.204 -3.358 -2.065 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.549 -0.578 -5.483 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.431 -2.034 -5.239 0.00 0.00 H+0 HETATM 120 H UNK 0 -3.218 -3.320 -4.106 0.00 0.00 H+0 HETATM 121 H UNK 0 -5.526 -2.565 -4.296 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.744 -1.732 -5.717 0.00 0.00 H+0 HETATM 123 H UNK 0 -5.043 -0.855 -4.190 0.00 0.00 H+0 HETATM 124 H UNK 0 -5.396 -1.686 -1.866 0.00 0.00 H+0 HETATM 125 H UNK 0 -5.145 -1.084 -0.239 0.00 0.00 H+0 HETATM 126 H UNK 0 -6.537 0.096 -2.491 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.257 0.784 0.289 0.00 0.00 H+0 HETATM 128 H UNK 0 -9.745 1.556 3.222 0.00 0.00 H+0 HETATM 129 H UNK 0 -11.726 1.497 4.765 0.00 0.00 H+0 HETATM 130 H UNK 0 -13.535 -0.077 4.306 0.00 0.00 H+0 HETATM 131 H UNK 0 -13.439 -1.597 2.365 0.00 0.00 H+0 HETATM 132 H UNK 0 -12.290 -2.391 0.430 0.00 0.00 H+0 HETATM 133 H UNK 0 -9.837 -2.702 -1.999 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.467 2.422 -1.371 0.00 0.00 H+0 HETATM 135 H UNK 0 -4.974 2.842 1.058 0.00 0.00 H+0 HETATM 136 H UNK 0 -3.855 1.152 2.506 0.00 0.00 H+0 HETATM 137 H UNK 0 -5.214 0.567 1.560 0.00 0.00 H+0 HETATM 138 H UNK 0 -3.598 0.096 1.033 0.00 0.00 H+0 HETATM 139 H UNK 0 -0.376 4.206 2.119 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.627 2.780 3.175 0.00 0.00 H+0 HETATM 141 H UNK 0 -1.871 4.018 3.077 0.00 0.00 H+0 CONECT 1 2 80 81 82 CONECT 2 1 3 CONECT 3 2 4 43 83 CONECT 4 3 5 CONECT 5 4 6 84 85 CONECT 6 5 7 78 86 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 CONECT 10 9 87 88 89 CONECT 11 9 12 15 13 CONECT 12 11 13 90 91 CONECT 13 12 14 11 92 CONECT 14 13 93 94 95 CONECT 15 11 16 17 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 96 97 CONECT 19 18 20 34 98 CONECT 20 19 21 99 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 32 CONECT 24 23 25 CONECT 25 24 26 30 CONECT 26 25 27 100 CONECT 27 26 28 101 CONECT 28 27 29 102 CONECT 29 28 30 103 CONECT 30 29 31 25 CONECT 31 30 32 104 CONECT 32 31 33 23 CONECT 33 32 105 CONECT 34 19 35 36 CONECT 35 34 CONECT 36 34 37 106 CONECT 37 36 38 39 107 CONECT 38 37 108 109 110 CONECT 39 37 40 41 CONECT 40 39 CONECT 41 39 42 43 CONECT 42 41 111 112 113 CONECT 43 41 44 3 114 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 48 CONECT 47 46 115 116 117 CONECT 48 46 49 52 50 CONECT 49 48 50 118 119 CONECT 50 49 51 48 120 CONECT 51 50 121 122 123 CONECT 52 48 53 54 CONECT 53 52 CONECT 54 52 55 CONECT 55 54 56 124 125 CONECT 56 55 57 71 126 CONECT 57 56 58 127 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 61 69 CONECT 61 60 62 CONECT 62 61 63 67 CONECT 63 62 64 128 CONECT 64 63 65 129 CONECT 65 64 66 130 CONECT 66 65 67 131 CONECT 67 66 68 62 CONECT 68 67 69 132 CONECT 69 68 70 60 CONECT 70 69 133 CONECT 71 56 72 73 CONECT 72 71 CONECT 73 71 74 134 CONECT 74 73 75 76 135 CONECT 75 74 136 137 138 CONECT 76 74 77 78 CONECT 77 76 CONECT 78 76 79 6 CONECT 79 78 139 140 141 CONECT 80 1 CONECT 81 1 CONECT 82 1 CONECT 83 3 CONECT 84 5 CONECT 85 5 CONECT 86 6 CONECT 87 10 CONECT 88 10 CONECT 89 10 CONECT 90 12 CONECT 91 12 CONECT 92 13 CONECT 93 14 CONECT 94 14 CONECT 95 14 CONECT 96 18 CONECT 97 18 CONECT 98 19 CONECT 99 20 CONECT 100 26 CONECT 101 27 CONECT 102 28 CONECT 103 29 CONECT 104 31 CONECT 105 33 CONECT 106 36 CONECT 107 37 CONECT 108 38 CONECT 109 38 CONECT 110 38 CONECT 111 42 CONECT 112 42 CONECT 113 42 CONECT 114 43 CONECT 115 47 CONECT 116 47 CONECT 117 47 CONECT 118 49 CONECT 119 49 CONECT 120 50 CONECT 121 51 CONECT 122 51 CONECT 123 51 CONECT 124 55 CONECT 125 55 CONECT 126 56 CONECT 127 57 CONECT 128 63 CONECT 129 64 CONECT 130 65 CONECT 131 66 CONECT 132 68 CONECT 133 70 CONECT 134 73 CONECT 135 74 CONECT 136 75 CONECT 137 75 CONECT 138 75 CONECT 139 79 CONECT 140 79 CONECT 141 79 MASTER 0 0 0 0 0 0 0 0 141 0 296 0 END