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 -2.431 5.444 -1.408 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.270 3.940 -1.486 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.471 3.428 -0.053 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.450 4.026 0.863 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.655 1.961 -0.003 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.549 1.097 -0.509 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.365 0.878 0.307 0.00 0.00 C+0 HETATM 8 C UNK 0 0.699 0.017 -0.279 0.00 0.00 C+0 HETATM 9 O UNK 0 0.400 -1.085 -0.800 0.00 0.00 O+0 HETATM 10 N UNK 0 2.070 0.388 -0.281 0.00 0.00 N+0 HETATM 11 C UNK 0 2.534 1.647 0.248 0.00 0.00 C+0 HETATM 12 C UNK 0 3.733 1.970 -0.678 0.00 0.00 C+0 HETATM 13 C UNK 0 4.343 0.588 -0.805 0.00 0.00 C+0 HETATM 14 C UNK 0 3.212 -0.339 -0.752 0.00 0.00 C+0 HETATM 15 C UNK 0 3.407 -1.637 -0.030 0.00 0.00 C+0 HETATM 16 O UNK 0 3.592 -1.457 1.342 0.00 0.00 O+0 HETATM 17 C UNK 0 2.588 -2.075 2.074 0.00 0.00 C+0 HETATM 18 C UNK 0 4.497 -2.536 -0.498 0.00 0.00 C+0 HETATM 19 C UNK 0 4.378 -2.937 -1.965 0.00 0.00 C+0 HETATM 20 C UNK 0 5.848 -2.309 -0.046 0.00 0.00 C+0 HETATM 21 O UNK 0 6.246 -2.956 0.988 0.00 0.00 O+0 HETATM 22 N UNK 0 6.843 -1.447 -0.588 0.00 0.00 N+0 HETATM 23 C UNK 0 8.168 -1.342 0.013 0.00 0.00 C+0 HETATM 24 C UNK 0 9.251 -1.709 -0.919 0.00 0.00 C+0 HETATM 25 C UNK 0 10.599 -1.621 -0.339 0.00 0.00 C+0 HETATM 26 C UNK 0 11.499 -0.610 -0.536 0.00 0.00 C+0 HETATM 27 C UNK 0 12.756 -0.584 0.083 0.00 0.00 C+0 HETATM 28 C UNK 0 13.118 -1.615 0.931 0.00 0.00 C+0 HETATM 29 C UNK 0 12.234 -2.638 1.143 0.00 0.00 C+0 HETATM 30 C UNK 0 11.013 -2.641 0.528 0.00 0.00 C+0 HETATM 31 C UNK 0 8.406 -0.018 0.644 0.00 0.00 C+0 HETATM 32 N UNK 0 9.382 0.847 0.548 0.00 0.00 N+0 HETATM 33 C UNK 0 9.385 1.947 1.216 0.00 0.00 C+0 HETATM 34 C UNK 0 8.320 2.189 2.041 0.00 0.00 C+0 HETATM 35 S UNK 0 7.368 0.794 1.798 0.00 0.00 S+0 HETATM 36 O UNK 0 -2.155 -0.145 -0.807 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.277 -0.368 -2.156 0.00 0.00 C+0 HETATM 38 N UNK 0 -3.355 1.565 1.165 0.00 0.00 N+0 HETATM 39 C UNK 0 -2.875 1.621 2.534 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.702 1.068 1.023 0.00 0.00 C+0 HETATM 41 O UNK 0 -5.281 0.666 2.100 0.00 0.00 O+0 HETATM 42 C UNK 0 -5.468 0.975 -0.209 0.00 0.00 C+0 HETATM 43 N UNK 0 -6.687 0.175 0.095 0.00 0.00 N+0 HETATM 44 C UNK 0 -6.909 -1.069 -0.544 0.00 0.00 C+0 HETATM 45 O UNK 0 -6.041 -1.465 -1.369 0.00 0.00 O+0 HETATM 46 C UNK 0 -8.122 -1.818 -0.212 0.00 0.00 C+0 HETATM 47 C UNK 0 -8.425 -1.810 1.275 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.325 -2.417 2.110 0.00 0.00 C+0 HETATM 49 C UNK 0 -9.754 -2.498 1.557 0.00 0.00 C+0 HETATM 50 N UNK 0 -8.239 -3.104 -0.811 0.00 0.00 N+0 HETATM 51 C UNK 0 -7.245 -4.065 -0.461 0.00 0.00 C+0 HETATM 52 C UNK 0 -8.318 -2.982 -2.247 0.00 0.00 C+0 HETATM 53 C UNK 0 -6.033 2.278 -0.723 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.979 2.902 0.309 0.00 0.00 C+0 HETATM 55 C UNK 0 -6.874 2.011 -1.978 0.00 0.00 C+0 HETATM 56 H UNK 0 -3.173 5.776 -2.170 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.485 5.974 -1.638 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.852 5.780 -0.422 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.092 3.535 -2.070 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.269 3.695 -1.884 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.450 3.891 0.249 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.524 4.354 0.293 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.801 5.020 1.290 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.189 3.441 1.752 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.439 1.776 -0.857 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.272 1.526 -1.506 0.00 0.00 H+0 HETATM 67 H UNK 0 0.127 1.718 0.781 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.681 0.226 1.212 0.00 0.00 H+0 HETATM 69 H UNK 0 1.843 2.488 0.113 0.00 0.00 H+0 HETATM 70 H UNK 0 2.864 1.605 1.283 0.00 0.00 H+0 HETATM 71 H UNK 0 3.361 2.295 -1.675 0.00 0.00 H+0 HETATM 72 H UNK 0 4.404 2.685 -0.209 0.00 0.00 H+0 HETATM 73 H UNK 0 5.022 0.502 0.073 0.00 0.00 H+0 HETATM 74 H UNK 0 4.898 0.599 -1.770 0.00 0.00 H+0 HETATM 75 H UNK 0 2.957 -0.605 -1.833 0.00 0.00 H+0 HETATM 76 H UNK 0 2.454 -2.218 -0.141 0.00 0.00 H+0 HETATM 77 H UNK 0 2.735 -1.932 3.173 0.00 0.00 H+0 HETATM 78 H UNK 0 1.564 -1.765 1.808 0.00 0.00 H+0 HETATM 79 H UNK 0 2.599 -3.190 1.933 0.00 0.00 H+0 HETATM 80 H UNK 0 4.204 -3.560 0.012 0.00 0.00 H+0 HETATM 81 H UNK 0 3.366 -2.839 -2.354 0.00 0.00 H+0 HETATM 82 H UNK 0 4.710 -3.983 -2.143 0.00 0.00 H+0 HETATM 83 H UNK 0 5.073 -2.297 -2.584 0.00 0.00 H+0 HETATM 84 H UNK 0 6.680 -0.878 -1.431 0.00 0.00 H+0 HETATM 85 H UNK 0 8.165 -2.136 0.834 0.00 0.00 H+0 HETATM 86 H UNK 0 9.100 -2.711 -1.402 0.00 0.00 H+0 HETATM 87 H UNK 0 9.265 -0.999 -1.807 0.00 0.00 H+0 HETATM 88 H UNK 0 11.260 0.196 -1.212 0.00 0.00 H+0 HETATM 89 H UNK 0 13.456 0.231 -0.091 0.00 0.00 H+0 HETATM 90 H UNK 0 14.097 -1.571 1.397 0.00 0.00 H+0 HETATM 91 H UNK 0 12.503 -3.460 1.809 0.00 0.00 H+0 HETATM 92 H UNK 0 10.291 -3.444 0.683 0.00 0.00 H+0 HETATM 93 H UNK 0 10.224 2.683 1.139 0.00 0.00 H+0 HETATM 94 H UNK 0 8.152 3.073 2.685 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.917 0.450 -2.588 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.363 -0.515 -2.723 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.878 -1.305 -2.270 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.129 2.658 2.911 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.830 1.462 2.707 0.00 0.00 H+0 HETATM 100 H UNK 0 -3.515 0.964 3.189 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.940 0.467 -1.026 0.00 0.00 H+0 HETATM 102 H UNK 0 -7.303 0.618 0.786 0.00 0.00 H+0 HETATM 103 H UNK 0 -8.975 -1.206 -0.661 0.00 0.00 H+0 HETATM 104 H UNK 0 -8.569 -0.760 1.642 0.00 0.00 H+0 HETATM 105 H UNK 0 -7.148 -1.819 3.029 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.406 -2.647 1.573 0.00 0.00 H+0 HETATM 107 H UNK 0 -7.721 -3.399 2.502 0.00 0.00 H+0 HETATM 108 H UNK 0 -10.445 -2.189 0.773 0.00 0.00 H+0 HETATM 109 H UNK 0 -10.063 -2.172 2.561 0.00 0.00 H+0 HETATM 110 H UNK 0 -9.636 -3.602 1.588 0.00 0.00 H+0 HETATM 111 H UNK 0 -6.200 -3.659 -0.592 0.00 0.00 H+0 HETATM 112 H UNK 0 -7.396 -4.604 0.478 0.00 0.00 H+0 HETATM 113 H UNK 0 -7.296 -4.868 -1.258 0.00 0.00 H+0 HETATM 114 H UNK 0 -8.989 -3.793 -2.603 0.00 0.00 H+0 HETATM 115 H UNK 0 -8.775 -2.001 -2.481 0.00 0.00 H+0 HETATM 116 H UNK 0 -7.311 -3.028 -2.674 0.00 0.00 H+0 HETATM 117 H UNK 0 -5.309 3.050 -0.989 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.484 2.807 1.291 0.00 0.00 H+0 HETATM 119 H UNK 0 -7.031 3.983 0.060 0.00 0.00 H+0 HETATM 120 H UNK 0 -7.995 2.479 0.246 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.827 1.530 -1.725 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.267 1.469 -2.712 0.00 0.00 H+0 HETATM 123 H UNK 0 -7.067 3.027 -2.423 0.00 0.00 H+0 CONECT 1 2 56 57 58 CONECT 2 1 3 59 60 CONECT 3 2 4 5 61 CONECT 4 3 62 63 64 CONECT 5 3 6 38 65 CONECT 6 5 7 36 66 CONECT 7 6 8 67 68 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 14 CONECT 11 10 12 69 70 CONECT 12 11 13 71 72 CONECT 13 12 14 73 74 CONECT 14 13 15 10 75 CONECT 15 14 16 18 76 CONECT 16 15 17 CONECT 17 16 77 78 79 CONECT 18 15 19 20 80 CONECT 19 18 81 82 83 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 84 CONECT 23 22 24 31 85 CONECT 24 23 25 86 87 CONECT 25 24 26 30 CONECT 26 25 27 88 CONECT 27 26 28 89 CONECT 28 27 29 90 CONECT 29 28 30 91 CONECT 30 29 25 92 CONECT 31 23 32 35 CONECT 32 31 33 CONECT 33 32 34 93 CONECT 34 33 35 94 CONECT 35 34 31 CONECT 36 6 37 CONECT 37 36 95 96 97 CONECT 38 5 39 40 CONECT 39 38 98 99 100 CONECT 40 38 41 42 CONECT 41 40 CONECT 42 40 43 53 101 CONECT 43 42 44 102 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 50 103 CONECT 47 46 48 49 104 CONECT 48 47 105 106 107 CONECT 49 47 108 109 110 CONECT 50 46 51 52 CONECT 51 50 111 112 113 CONECT 52 50 114 115 116 CONECT 53 42 54 55 117 CONECT 54 53 118 119 120 CONECT 55 53 121 122 123 CONECT 56 1 CONECT 57 1 CONECT 58 1 CONECT 59 2 CONECT 60 2 CONECT 61 3 CONECT 62 4 CONECT 63 4 CONECT 64 4 CONECT 65 5 CONECT 66 6 CONECT 67 7 CONECT 68 7 CONECT 69 11 CONECT 70 11 CONECT 71 12 CONECT 72 12 CONECT 73 13 CONECT 74 13 CONECT 75 14 CONECT 76 15 CONECT 77 17 CONECT 78 17 CONECT 79 17 CONECT 80 18 CONECT 81 19 CONECT 82 19 CONECT 83 19 CONECT 84 22 CONECT 85 23 CONECT 86 24 CONECT 87 24 CONECT 88 26 CONECT 89 27 CONECT 90 28 CONECT 91 29 CONECT 92 30 CONECT 93 33 CONECT 94 34 CONECT 95 37 CONECT 96 37 CONECT 97 37 CONECT 98 39 CONECT 99 39 CONECT 100 39 CONECT 101 42 CONECT 102 43 CONECT 103 46 CONECT 104 47 CONECT 105 48 CONECT 106 48 CONECT 107 48 CONECT 108 49 CONECT 109 49 CONECT 110 49 CONECT 111 51 CONECT 112 51 CONECT 113 51 CONECT 114 52 CONECT 115 52 CONECT 116 52 CONECT 117 53 CONECT 118 54 CONECT 119 54 CONECT 120 54 CONECT 121 55 CONECT 122 55 CONECT 123 55 MASTER 0 0 0 0 0 0 0 0 123 0 250 0 END