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 -13.062 2.517 0.402 0.00 0.00 C+0 HETATM 2 C UNK 0 -12.330 1.193 0.618 0.00 0.00 C+0 HETATM 3 O UNK 0 -11.112 1.354 1.235 0.00 0.00 O+0 HETATM 4 C UNK 0 -10.127 0.493 0.797 0.00 0.00 C+0 HETATM 5 O UNK 0 -9.088 0.489 1.686 0.00 0.00 O+0 HETATM 6 C UNK 0 -8.756 -0.724 2.228 0.00 0.00 C+0 HETATM 7 C UNK 0 -7.438 -0.644 2.957 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.349 -1.830 3.926 0.00 0.00 C+0 HETATM 9 O UNK 0 -6.327 -0.702 2.155 0.00 0.00 O+0 HETATM 10 C UNK 0 -6.569 -0.409 0.834 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.290 -0.480 0.078 0.00 0.00 C+0 HETATM 12 C UNK 0 -5.101 -1.274 -1.042 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.920 -1.331 -1.743 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.861 -0.550 -1.304 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.987 0.256 -0.204 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.201 0.277 0.470 0.00 0.00 C+0 HETATM 17 O UNK 0 -4.289 1.103 1.574 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.855 1.042 0.199 0.00 0.00 C+0 HETATM 19 O UNK 0 -1.956 1.784 1.205 0.00 0.00 O+0 HETATM 20 C UNK 0 -0.579 0.998 -0.541 0.00 0.00 C+0 HETATM 21 C UNK 0 0.473 1.766 -0.122 0.00 0.00 C+0 HETATM 22 C UNK 0 1.661 1.734 -0.801 0.00 0.00 C+0 HETATM 23 C UNK 0 1.880 0.946 -1.929 0.00 0.00 C+0 HETATM 24 C UNK 0 3.179 1.003 -2.599 0.00 0.00 C+0 HETATM 25 C UNK 0 4.178 -0.067 -2.444 0.00 0.00 C+0 HETATM 26 C UNK 0 3.716 -1.416 -2.913 0.00 0.00 C+0 HETATM 27 C UNK 0 5.385 0.280 -3.311 0.00 0.00 C+0 HETATM 28 C UNK 0 5.173 0.408 -4.732 0.00 0.00 C+0 HETATM 29 O UNK 0 4.109 0.224 -5.335 0.00 0.00 O+0 HETATM 30 O UNK 0 6.256 0.783 -5.593 0.00 0.00 O+0 HETATM 31 O UNK 0 4.694 -0.113 -1.172 0.00 0.00 O+0 HETATM 32 C UNK 0 3.993 -0.435 -0.098 0.00 0.00 C+0 HETATM 33 C UNK 0 4.562 -1.665 0.649 0.00 0.00 C+0 HETATM 34 C UNK 0 6.044 -1.516 0.837 0.00 0.00 C+0 HETATM 35 C UNK 0 6.437 -0.039 0.800 0.00 0.00 C+0 HETATM 36 O UNK 0 7.542 0.070 1.641 0.00 0.00 O+0 HETATM 37 C UNK 0 8.692 0.464 0.966 0.00 0.00 C+0 HETATM 38 C UNK 0 9.233 1.782 1.458 0.00 0.00 C+0 HETATM 39 C UNK 0 10.575 1.997 0.769 0.00 0.00 C+0 HETATM 40 C UNK 0 11.524 0.959 1.329 0.00 0.00 C+0 HETATM 41 O UNK 0 12.439 0.639 0.324 0.00 0.00 O+0 HETATM 42 C UNK 0 10.758 -0.265 1.752 0.00 0.00 C+0 HETATM 43 C UNK 0 11.707 -1.459 1.578 0.00 0.00 C+0 HETATM 44 O UNK 0 9.663 -0.535 0.972 0.00 0.00 O+0 HETATM 45 C UNK 0 5.353 0.851 1.290 0.00 0.00 C+0 HETATM 46 C UNK 0 5.350 0.832 2.821 0.00 0.00 C+0 HETATM 47 O UNK 0 4.093 0.574 0.861 0.00 0.00 O+0 HETATM 48 C UNK 0 0.792 0.170 -2.340 0.00 0.00 C+0 HETATM 49 O UNK 0 0.935 -0.608 -3.426 0.00 0.00 O+0 HETATM 50 C UNK 0 -0.427 0.194 -1.654 0.00 0.00 C+0 HETATM 51 C UNK 0 -1.577 -0.597 -2.052 0.00 0.00 C+0 HETATM 52 O UNK 0 -1.513 -1.345 -3.047 0.00 0.00 O+0 HETATM 53 C UNK 0 -7.497 -1.469 0.260 0.00 0.00 C+0 HETATM 54 C UNK 0 -8.673 -1.764 1.165 0.00 0.00 C+0 HETATM 55 O UNK 0 -9.792 -1.848 0.363 0.00 0.00 O+0 HETATM 56 C UNK 0 -10.723 -0.858 0.535 0.00 0.00 C+0 HETATM 57 C UNK 0 -11.492 -0.747 -0.790 0.00 0.00 C+0 HETATM 58 C UNK 0 -12.240 0.546 -0.721 0.00 0.00 C+0 HETATM 59 O UNK 0 -12.730 1.003 -1.724 0.00 0.00 O+0 HETATM 60 H UNK 0 -12.705 2.932 -0.565 0.00 0.00 H+0 HETATM 61 H UNK 0 -12.872 3.201 1.240 0.00 0.00 H+0 HETATM 62 H UNK 0 -14.143 2.289 0.273 0.00 0.00 H+0 HETATM 63 H UNK 0 -12.952 0.513 1.269 0.00 0.00 H+0 HETATM 64 H UNK 0 -9.753 0.905 -0.176 0.00 0.00 H+0 HETATM 65 H UNK 0 -9.529 -1.068 2.960 0.00 0.00 H+0 HETATM 66 H UNK 0 -7.412 0.283 3.546 0.00 0.00 H+0 HETATM 67 H UNK 0 -8.306 -2.066 4.390 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.975 -2.703 3.341 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.542 -1.607 4.676 0.00 0.00 H+0 HETATM 70 H UNK 0 -7.034 0.598 0.694 0.00 0.00 H+0 HETATM 71 H UNK 0 -5.938 -1.884 -1.390 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.771 -1.950 -2.615 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.079 1.238 2.159 0.00 0.00 H+0 HETATM 74 H UNK 0 0.310 2.386 0.761 0.00 0.00 H+0 HETATM 75 H UNK 0 2.484 2.351 -0.458 0.00 0.00 H+0 HETATM 76 H UNK 0 3.709 1.992 -2.293 0.00 0.00 H+0 HETATM 77 H UNK 0 3.047 1.202 -3.704 0.00 0.00 H+0 HETATM 78 H UNK 0 4.663 -2.065 -2.981 0.00 0.00 H+0 HETATM 79 H UNK 0 3.393 -1.359 -3.951 0.00 0.00 H+0 HETATM 80 H UNK 0 2.965 -1.910 -2.309 0.00 0.00 H+0 HETATM 81 H UNK 0 5.837 1.230 -2.877 0.00 0.00 H+0 HETATM 82 H UNK 0 6.165 -0.486 -3.078 0.00 0.00 H+0 HETATM 83 H UNK 0 7.066 0.197 -5.509 0.00 0.00 H+0 HETATM 84 H UNK 0 2.916 -0.671 -0.204 0.00 0.00 H+0 HETATM 85 H UNK 0 4.090 -1.631 1.650 0.00 0.00 H+0 HETATM 86 H UNK 0 4.257 -2.599 0.171 0.00 0.00 H+0 HETATM 87 H UNK 0 6.551 -2.050 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 6.393 -1.982 1.781 0.00 0.00 H+0 HETATM 89 H UNK 0 6.802 0.237 -0.224 0.00 0.00 H+0 HETATM 90 H UNK 0 8.419 0.600 -0.100 0.00 0.00 H+0 HETATM 91 H UNK 0 8.595 2.627 1.127 0.00 0.00 H+0 HETATM 92 H UNK 0 9.377 1.810 2.552 0.00 0.00 H+0 HETATM 93 H UNK 0 10.912 3.028 0.984 0.00 0.00 H+0 HETATM 94 H UNK 0 10.421 1.824 -0.333 0.00 0.00 H+0 HETATM 95 H UNK 0 12.032 1.423 2.207 0.00 0.00 H+0 HETATM 96 H UNK 0 13.210 1.254 0.437 0.00 0.00 H+0 HETATM 97 H UNK 0 10.482 -0.220 2.832 0.00 0.00 H+0 HETATM 98 H UNK 0 12.104 -1.392 0.526 0.00 0.00 H+0 HETATM 99 H UNK 0 12.506 -1.464 2.329 0.00 0.00 H+0 HETATM 100 H UNK 0 11.097 -2.406 1.600 0.00 0.00 H+0 HETATM 101 H UNK 0 5.601 1.894 0.971 0.00 0.00 H+0 HETATM 102 H UNK 0 5.769 -0.136 3.156 0.00 0.00 H+0 HETATM 103 H UNK 0 6.082 1.610 3.159 0.00 0.00 H+0 HETATM 104 H UNK 0 4.353 1.052 3.234 0.00 0.00 H+0 HETATM 105 H UNK 0 0.411 -1.226 -3.942 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.914 -2.441 0.238 0.00 0.00 H+0 HETATM 107 H UNK 0 -7.775 -1.251 -0.774 0.00 0.00 H+0 HETATM 108 H UNK 0 -8.578 -2.784 1.643 0.00 0.00 H+0 HETATM 109 H UNK 0 -11.446 -1.159 1.313 0.00 0.00 H+0 HETATM 110 H UNK 0 -12.133 -1.610 -0.973 0.00 0.00 H+0 HETATM 111 H UNK 0 -10.700 -0.601 -1.565 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 58 63 CONECT 3 2 4 CONECT 4 3 5 56 64 CONECT 5 4 6 CONECT 6 5 7 54 65 CONECT 7 6 8 9 66 CONECT 8 7 67 68 69 CONECT 9 7 10 CONECT 10 9 11 53 70 CONECT 11 10 12 16 CONECT 12 11 13 71 CONECT 13 12 14 72 CONECT 14 13 15 51 CONECT 15 14 16 18 CONECT 16 15 17 11 CONECT 17 16 73 CONECT 18 15 19 20 CONECT 19 18 CONECT 20 18 21 50 CONECT 21 20 22 74 CONECT 22 21 23 75 CONECT 23 22 24 48 CONECT 24 23 25 76 77 CONECT 25 24 26 27 31 CONECT 26 25 78 79 80 CONECT 27 25 28 81 82 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 83 CONECT 31 25 32 CONECT 32 31 33 47 84 CONECT 33 32 34 85 86 CONECT 34 33 35 87 88 CONECT 35 34 36 45 89 CONECT 36 35 37 CONECT 37 36 38 44 90 CONECT 38 37 39 91 92 CONECT 39 38 40 93 94 CONECT 40 39 41 42 95 CONECT 41 40 96 CONECT 42 40 43 44 97 CONECT 43 42 98 99 100 CONECT 44 42 37 CONECT 45 35 46 47 101 CONECT 46 45 102 103 104 CONECT 47 45 32 CONECT 48 23 49 50 CONECT 49 48 105 CONECT 50 48 51 20 CONECT 51 50 52 14 CONECT 52 51 CONECT 53 10 54 106 107 CONECT 54 53 55 6 108 CONECT 55 54 56 CONECT 56 55 57 4 109 CONECT 57 56 58 110 111 CONECT 58 57 59 2 CONECT 59 58 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 2 CONECT 64 4 CONECT 65 6 CONECT 66 7 CONECT 67 8 CONECT 68 8 CONECT 69 8 CONECT 70 10 CONECT 71 12 CONECT 72 13 CONECT 73 17 CONECT 74 21 CONECT 75 22 CONECT 76 24 CONECT 77 24 CONECT 78 26 CONECT 79 26 CONECT 80 26 CONECT 81 27 CONECT 82 27 CONECT 83 30 CONECT 84 32 CONECT 85 33 CONECT 86 33 CONECT 87 34 CONECT 88 34 CONECT 89 35 CONECT 90 37 CONECT 91 38 CONECT 92 38 CONECT 93 39 CONECT 94 39 CONECT 95 40 CONECT 96 41 CONECT 97 42 CONECT 98 43 CONECT 99 43 CONECT 100 43 CONECT 101 45 CONECT 102 46 CONECT 103 46 CONECT 104 46 CONECT 105 49 CONECT 106 53 CONECT 107 53 CONECT 108 54 CONECT 109 56 CONECT 110 57 CONECT 111 57 MASTER 0 0 0 0 0 0 0 0 111 0 236 0 END