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 -9.756 0.088 3.715 0.00 0.00 C+0 HETATM 2 C UNK 0 -8.741 0.400 2.601 0.00 0.00 C+0 HETATM 3 N UNK 0 -7.830 -0.687 2.480 0.00 0.00 N+0 HETATM 4 C UNK 0 -7.823 -1.740 1.552 0.00 0.00 C+0 HETATM 5 O UNK 0 -7.067 -2.749 1.725 0.00 0.00 O+0 HETATM 6 C UNK 0 -8.663 -1.811 0.303 0.00 0.00 C+0 HETATM 7 C UNK 0 -10.024 -2.226 0.774 0.00 0.00 C+0 HETATM 8 N UNK 0 -8.098 -2.633 -0.712 0.00 0.00 N+0 HETATM 9 C UNK 0 -8.973 -3.265 -1.719 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.707 -2.894 -0.842 0.00 0.00 C+0 HETATM 11 O UNK 0 -6.344 -4.112 -0.955 0.00 0.00 O+0 HETATM 12 C UNK 0 -5.660 -1.825 -0.852 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.619 -1.119 -2.197 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.253 -1.459 -2.761 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.046 -2.833 -2.071 0.00 0.00 C+0 HETATM 16 N UNK 0 -4.316 -2.413 -0.697 0.00 0.00 N+0 HETATM 17 C UNK 0 -3.591 -2.479 0.491 0.00 0.00 C+0 HETATM 18 O UNK 0 -3.408 -3.676 0.943 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.995 -1.425 1.312 0.00 0.00 C+0 HETATM 20 N UNK 0 -2.432 -0.290 0.567 0.00 0.00 N+0 HETATM 21 C UNK 0 -1.078 -0.287 0.101 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.374 -1.284 0.288 0.00 0.00 O+0 HETATM 23 C UNK 0 -0.556 0.921 -0.572 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.180 1.378 -1.786 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.173 0.668 -3.054 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.360 1.477 -4.228 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.352 0.945 -5.471 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.150 -0.401 -5.660 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.960 -1.212 -4.542 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.979 -0.641 -3.264 0.00 0.00 C+0 HETATM 31 N UNK 0 0.919 0.689 -0.670 0.00 0.00 N+0 HETATM 32 C UNK 0 1.797 1.693 -0.195 0.00 0.00 C+0 HETATM 33 O UNK 0 1.303 2.777 0.205 0.00 0.00 O+0 HETATM 34 C UNK 0 3.215 1.532 -0.120 0.00 0.00 C+0 HETATM 35 C UNK 0 3.868 0.369 -0.444 0.00 0.00 C+0 HETATM 36 C UNK 0 5.289 0.396 -0.286 0.00 0.00 C+0 HETATM 37 C UNK 0 6.443 0.393 -0.166 0.00 0.00 C+0 HETATM 38 C UNK 0 7.854 0.421 -0.009 0.00 0.00 C+0 HETATM 39 C UNK 0 8.640 -0.655 -0.247 0.00 0.00 C+0 HETATM 40 C UNK 0 10.040 -0.480 -0.032 0.00 0.00 C+0 HETATM 41 C UNK 0 10.928 -1.463 -0.211 0.00 0.00 C+0 HETATM 42 C UNK 0 12.341 -1.187 0.050 0.00 0.00 C+0 HETATM 43 C UNK 0 13.306 -2.059 -0.070 0.00 0.00 C+0 HETATM 44 C UNK 0 14.689 -1.639 0.244 0.00 0.00 C+0 HETATM 45 O UNK 0 15.598 -2.491 0.163 0.00 0.00 O+0 HETATM 46 N UNK 0 14.957 -0.330 0.634 0.00 0.00 N+0 HETATM 47 C UNK 0 16.192 0.213 1.059 0.00 0.00 C+0 HETATM 48 C UNK 0 16.417 1.490 1.402 0.00 0.00 C+0 HETATM 49 O UNK 0 15.546 2.554 1.416 0.00 0.00 O+0 HETATM 50 C UNK 0 17.861 1.605 1.810 0.00 0.00 C+0 HETATM 51 C UNK 0 18.020 0.192 2.462 0.00 0.00 C+0 HETATM 52 C UNK 0 17.440 -0.564 1.281 0.00 0.00 C+0 HETATM 53 O UNK 0 17.887 -1.540 0.688 0.00 0.00 O+0 HETATM 54 C UNK 0 -3.796 -0.844 2.409 0.00 0.00 C+0 HETATM 55 O UNK 0 -3.701 0.582 2.421 0.00 0.00 O+0 HETATM 56 C UNK 0 -4.699 1.472 2.615 0.00 0.00 C+0 HETATM 57 O UNK 0 -4.656 2.285 3.605 0.00 0.00 O+0 HETATM 58 C UNK 0 -5.863 1.549 1.724 0.00 0.00 C+0 HETATM 59 C UNK 0 -5.549 2.314 0.446 0.00 0.00 C+0 HETATM 60 C UNK 0 -5.953 3.721 0.728 0.00 0.00 C+0 HETATM 61 C UNK 0 -6.998 4.139 -0.306 0.00 0.00 C+0 HETATM 62 C UNK 0 -6.640 3.694 2.064 0.00 0.00 C+0 HETATM 63 N UNK 0 -6.993 2.288 2.277 0.00 0.00 N+0 HETATM 64 C UNK 0 -8.152 1.732 2.850 0.00 0.00 C+0 HETATM 65 O UNK 0 -8.823 2.447 3.702 0.00 0.00 O+0 HETATM 66 H UNK 0 -10.041 -0.984 3.686 0.00 0.00 H+0 HETATM 67 H UNK 0 -10.693 0.674 3.513 0.00 0.00 H+0 HETATM 68 H UNK 0 -9.355 0.444 4.681 0.00 0.00 H+0 HETATM 69 H UNK 0 -9.386 0.529 1.678 0.00 0.00 H+0 HETATM 70 H UNK 0 -7.045 -0.715 3.201 0.00 0.00 H+0 HETATM 71 H UNK 0 -8.762 -0.795 -0.139 0.00 0.00 H+0 HETATM 72 H UNK 0 -10.622 -2.851 0.108 0.00 0.00 H+0 HETATM 73 H UNK 0 -10.646 -1.359 1.149 0.00 0.00 H+0 HETATM 74 H UNK 0 -9.900 -2.866 1.709 0.00 0.00 H+0 HETATM 75 H UNK 0 -9.900 -3.656 -1.364 0.00 0.00 H+0 HETATM 76 H UNK 0 -9.191 -2.533 -2.543 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.394 -4.060 -2.288 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.915 -1.100 -0.129 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.427 -1.482 -2.852 0.00 0.00 H+0 HETATM 80 H UNK 0 -5.759 -0.001 -2.079 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.241 -1.528 -3.838 0.00 0.00 H+0 HETATM 82 H UNK 0 -3.526 -0.748 -2.318 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.090 -3.270 -2.264 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.819 -3.483 -2.503 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.054 -1.893 1.768 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.020 0.531 0.408 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.648 1.764 0.195 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.329 1.562 -1.598 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.875 2.478 -1.991 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.526 2.545 -4.080 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.501 1.518 -6.388 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.123 -0.920 -6.609 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.780 -2.289 -4.626 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.818 -1.310 -2.395 0.00 0.00 H+0 HETATM 95 H UNK 0 1.301 -0.167 -1.078 0.00 0.00 H+0 HETATM 96 H UNK 0 3.862 2.333 0.207 0.00 0.00 H+0 HETATM 97 H UNK 0 3.274 -0.416 -0.780 0.00 0.00 H+0 HETATM 98 H UNK 0 5.415 -0.984 -0.647 0.00 0.00 H+0 HETATM 99 H UNK 0 6.340 1.740 0.220 0.00 0.00 H+0 HETATM 100 H UNK 0 8.443 1.300 0.310 0.00 0.00 H+0 HETATM 101 H UNK 0 8.149 -1.547 -0.574 0.00 0.00 H+0 HETATM 102 H UNK 0 10.458 0.483 0.282 0.00 0.00 H+0 HETATM 103 H UNK 0 10.574 -2.432 -0.529 0.00 0.00 H+0 HETATM 104 H UNK 0 12.578 -0.182 0.357 0.00 0.00 H+0 HETATM 105 H UNK 0 13.117 -3.053 -0.382 0.00 0.00 H+0 HETATM 106 H UNK 0 14.168 0.402 0.607 0.00 0.00 H+0 HETATM 107 H UNK 0 14.782 2.547 0.722 0.00 0.00 H+0 HETATM 108 H UNK 0 18.543 1.661 0.960 0.00 0.00 H+0 HETATM 109 H UNK 0 18.025 2.354 2.588 0.00 0.00 H+0 HETATM 110 H UNK 0 19.039 -0.072 2.599 0.00 0.00 H+0 HETATM 111 H UNK 0 17.360 0.071 3.308 0.00 0.00 H+0 HETATM 112 H UNK 0 -4.849 -1.180 2.462 0.00 0.00 H+0 HETATM 113 H UNK 0 -3.336 -1.129 3.384 0.00 0.00 H+0 HETATM 114 H UNK 0 -6.142 0.545 1.403 0.00 0.00 H+0 HETATM 115 H UNK 0 -6.170 1.923 -0.404 0.00 0.00 H+0 HETATM 116 H UNK 0 -4.474 2.306 0.155 0.00 0.00 H+0 HETATM 117 H UNK 0 -5.089 4.437 0.715 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.766 5.099 -0.745 0.00 0.00 H+0 HETATM 119 H UNK 0 -7.038 3.398 -1.147 0.00 0.00 H+0 HETATM 120 H UNK 0 -8.017 4.168 0.105 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.502 4.352 2.026 0.00 0.00 H+0 HETATM 122 H UNK 0 -5.875 4.010 2.817 0.00 0.00 H+0 CONECT 1 2 66 67 68 CONECT 2 1 3 64 69 CONECT 3 2 4 70 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 8 71 CONECT 7 6 72 73 74 CONECT 8 6 9 10 CONECT 9 8 75 76 77 CONECT 10 8 11 12 CONECT 11 10 CONECT 12 10 13 16 78 CONECT 13 12 14 79 80 CONECT 14 13 15 81 82 CONECT 15 14 16 83 84 CONECT 16 15 17 12 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 54 85 CONECT 20 19 21 86 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 31 87 CONECT 24 23 25 88 89 CONECT 25 24 26 30 CONECT 26 25 27 90 CONECT 27 26 28 91 CONECT 28 27 29 92 CONECT 29 28 30 93 CONECT 30 29 25 94 CONECT 31 23 32 95 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 96 CONECT 35 34 36 97 CONECT 36 35 37 98 CONECT 37 36 38 99 CONECT 38 37 39 100 CONECT 39 38 40 101 CONECT 40 39 41 102 CONECT 41 40 42 103 CONECT 42 41 43 104 CONECT 43 42 44 105 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 106 CONECT 47 46 48 52 CONECT 48 47 49 50 CONECT 49 48 107 CONECT 50 48 51 108 109 CONECT 51 50 52 110 111 CONECT 52 51 53 47 CONECT 53 52 CONECT 54 19 55 112 113 CONECT 55 54 56 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 63 114 CONECT 59 58 60 115 116 CONECT 60 59 61 62 117 CONECT 61 60 118 119 120 CONECT 62 60 63 121 122 CONECT 63 62 64 58 CONECT 64 63 65 2 CONECT 65 64 CONECT 66 1 CONECT 67 1 CONECT 68 1 CONECT 69 2 CONECT 70 3 CONECT 71 6 CONECT 72 7 CONECT 73 7 CONECT 74 7 CONECT 75 9 CONECT 76 9 CONECT 77 9 CONECT 78 12 CONECT 79 13 CONECT 80 13 CONECT 81 14 CONECT 82 14 CONECT 83 15 CONECT 84 15 CONECT 85 19 CONECT 86 20 CONECT 87 23 CONECT 88 24 CONECT 89 24 CONECT 90 26 CONECT 91 27 CONECT 92 28 CONECT 93 29 CONECT 94 30 CONECT 95 31 CONECT 96 34 CONECT 97 35 CONECT 98 36 CONECT 99 37 CONECT 100 38 CONECT 101 39 CONECT 102 40 CONECT 103 41 CONECT 104 42 CONECT 105 43 CONECT 106 46 CONECT 107 49 CONECT 108 50 CONECT 109 50 CONECT 110 51 CONECT 111 51 CONECT 112 54 CONECT 113 54 CONECT 114 58 CONECT 115 59 CONECT 116 59 CONECT 117 60 CONECT 118 61 CONECT 119 61 CONECT 120 61 CONECT 121 62 CONECT 122 62 MASTER 0 0 0 0 0 0 0 0 122 0 252 0 END