HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -0.506 -3.329 2.701 0.00 0.00 C+0 HETATM 2 C UNK 0 0.401 -2.598 2.027 0.00 0.00 C+0 HETATM 3 C UNK 0 1.514 -1.891 2.769 0.00 0.00 C+0 HETATM 4 O UNK 0 1.446 -0.489 2.543 0.00 0.00 O+0 HETATM 5 C UNK 0 0.456 -2.506 0.496 0.00 0.00 C+0 HETATM 6 C UNK 0 1.307 -3.698 -0.020 0.00 0.00 C+0 HETATM 7 C UNK 0 1.771 -3.558 -1.447 0.00 0.00 C+0 HETATM 8 C UNK 0 2.953 -3.074 -1.877 0.00 0.00 C+0 HETATM 9 C UNK 0 3.287 -3.058 -3.346 0.00 0.00 C+0 HETATM 10 C UNK 0 4.030 -2.517 -0.987 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.901 -2.430 -0.272 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.696 -1.146 -0.116 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.501 -0.993 1.024 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.301 0.142 1.228 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.037 0.300 2.545 0.00 0.00 C+0 HETATM 16 O UNK 0 -3.159 1.095 3.355 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.227 0.860 4.688 0.00 0.00 C+0 HETATM 18 O UNK 0 -4.020 0.101 5.229 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.215 1.681 5.422 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.812 1.429 4.959 0.00 0.00 C+0 HETATM 21 O UNK 0 -0.447 0.501 4.248 0.00 0.00 O+0 HETATM 22 O UNK 0 0.015 2.381 5.482 0.00 0.00 O+0 HETATM 23 C UNK 0 1.398 2.296 5.103 0.00 0.00 C+0 HETATM 24 C UNK 0 2.136 1.320 5.999 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.418 0.949 2.418 0.00 0.00 C+0 HETATM 26 O UNK 0 -5.721 2.048 2.870 0.00 0.00 O+0 HETATM 27 O UNK 0 -6.270 0.132 1.729 0.00 0.00 O+0 HETATM 28 C UNK 0 -7.577 0.676 1.544 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.314 1.138 0.247 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.537 1.018 -0.916 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.620 2.112 -1.957 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.793 1.920 -2.881 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.920 2.654 -2.968 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.255 3.840 -2.107 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.981 2.308 -3.981 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.708 -0.112 -1.073 0.00 0.00 C+0 HETATM 37 O UNK 0 -0.923 -0.159 -2.204 0.00 0.00 O+0 HETATM 38 C UNK 0 0.449 0.189 -1.907 0.00 0.00 C+0 HETATM 39 O UNK 0 0.573 1.147 -0.853 0.00 0.00 O+0 HETATM 40 C UNK 0 1.922 1.265 -0.419 0.00 0.00 C+0 HETATM 41 C UNK 0 1.936 2.125 0.847 0.00 0.00 C+0 HETATM 42 O UNK 0 3.087 1.817 1.630 0.00 0.00 O+0 HETATM 43 C UNK 0 2.764 1.885 -1.542 0.00 0.00 C+0 HETATM 44 O UNK 0 4.160 1.913 -1.213 0.00 0.00 O+0 HETATM 45 C UNK 0 2.593 1.093 -2.853 0.00 0.00 C+0 HETATM 46 O UNK 0 3.174 1.861 -3.921 0.00 0.00 O+0 HETATM 47 C UNK 0 1.123 0.754 -3.170 0.00 0.00 C+0 HETATM 48 O UNK 0 1.061 -0.209 -4.237 0.00 0.00 O+0 HETATM 49 H UNK 0 -1.279 -3.900 2.198 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.491 -3.391 3.786 0.00 0.00 H+0 HETATM 51 H UNK 0 2.488 -2.245 2.419 0.00 0.00 H+0 HETATM 52 H UNK 0 1.472 -2.065 3.849 0.00 0.00 H+0 HETATM 53 H UNK 0 0.611 -0.203 2.979 0.00 0.00 H+0 HETATM 54 H UNK 0 1.001 -1.585 0.270 0.00 0.00 H+0 HETATM 55 H UNK 0 0.722 -4.625 0.053 0.00 0.00 H+0 HETATM 56 H UNK 0 2.176 -3.863 0.628 0.00 0.00 H+0 HETATM 57 H UNK 0 1.066 -3.931 -2.191 0.00 0.00 H+0 HETATM 58 H UNK 0 4.175 -3.670 -3.538 0.00 0.00 H+0 HETATM 59 H UNK 0 2.472 -3.452 -3.962 0.00 0.00 H+0 HETATM 60 H UNK 0 3.492 -2.037 -3.683 0.00 0.00 H+0 HETATM 61 H UNK 0 4.322 -1.518 -1.327 0.00 0.00 H+0 HETATM 62 H UNK 0 4.913 -3.162 -1.015 0.00 0.00 H+0 HETATM 63 H UNK 0 3.717 -2.417 0.056 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.543 -3.276 0.006 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.728 -2.574 -1.345 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.505 -1.773 1.782 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.187 -0.691 2.995 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.274 1.436 6.487 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.474 2.736 5.285 0.00 0.00 H+0 HETATM 70 H UNK 0 1.823 3.298 5.220 0.00 0.00 H+0 HETATM 71 H UNK 0 1.497 2.026 4.046 0.00 0.00 H+0 HETATM 72 H UNK 0 1.734 0.307 5.895 0.00 0.00 H+0 HETATM 73 H UNK 0 3.201 1.298 5.753 0.00 0.00 H+0 HETATM 74 H UNK 0 2.021 1.601 7.051 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.527 1.605 0.967 0.00 0.00 H+0 HETATM 76 H UNK 0 -8.063 0.844 2.510 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.169 -0.050 0.980 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.918 2.034 0.385 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.641 3.084 -1.452 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.708 2.146 -2.563 0.00 0.00 H+0 HETATM 81 H UNK 0 -3.673 1.074 -3.559 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.510 4.045 -1.335 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.347 4.739 -2.725 0.00 0.00 H+0 HETATM 84 H UNK 0 -6.209 3.674 -1.595 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.707 1.442 -4.592 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.148 3.152 -4.657 0.00 0.00 H+0 HETATM 87 H UNK 0 -6.924 2.073 -3.476 0.00 0.00 H+0 HETATM 88 H UNK 0 0.950 -0.745 -1.647 0.00 0.00 H+0 HETATM 89 H UNK 0 2.325 0.276 -0.164 0.00 0.00 H+0 HETATM 90 H UNK 0 1.956 3.193 0.606 0.00 0.00 H+0 HETATM 91 H UNK 0 1.042 1.958 1.458 0.00 0.00 H+0 HETATM 92 H UNK 0 2.866 0.963 2.067 0.00 0.00 H+0 HETATM 93 H UNK 0 2.454 2.922 -1.720 0.00 0.00 H+0 HETATM 94 H UNK 0 4.237 2.166 -0.270 0.00 0.00 H+0 HETATM 95 H UNK 0 3.178 0.167 -2.806 0.00 0.00 H+0 HETATM 96 H UNK 0 4.085 2.057 -3.628 0.00 0.00 H+0 HETATM 97 H UNK 0 0.603 1.653 -3.522 0.00 0.00 H+0 HETATM 98 H UNK 0 0.114 -0.394 -4.378 0.00 0.00 H+0 CONECT 1 2 49 50 CONECT 2 1 5 3 CONECT 3 2 4 51 52 CONECT 4 3 53 CONECT 5 6 11 2 54 CONECT 6 5 7 55 56 CONECT 7 6 8 57 CONECT 8 7 9 10 CONECT 9 8 58 59 60 CONECT 10 8 61 62 63 CONECT 11 12 5 64 65 CONECT 12 11 36 13 CONECT 13 14 12 66 CONECT 14 13 29 15 CONECT 15 16 14 25 67 CONECT 16 15 17 CONECT 17 16 19 18 CONECT 18 17 CONECT 19 17 20 68 69 CONECT 20 19 22 21 CONECT 21 20 CONECT 22 20 23 CONECT 23 22 24 70 71 CONECT 24 23 72 73 74 CONECT 25 15 27 26 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 75 76 77 CONECT 29 14 30 78 CONECT 30 31 29 36 CONECT 31 30 32 79 80 CONECT 32 31 33 81 CONECT 33 32 34 35 CONECT 34 33 82 83 84 CONECT 35 33 85 86 87 CONECT 36 37 12 30 CONECT 37 36 38 CONECT 38 47 39 37 88 CONECT 39 40 38 CONECT 40 43 39 41 89 CONECT 41 42 40 90 91 CONECT 42 41 92 CONECT 43 45 40 44 93 CONECT 44 43 94 CONECT 45 47 43 46 95 CONECT 46 45 96 CONECT 47 38 45 48 97 CONECT 48 47 98 CONECT 49 1 CONECT 50 1 CONECT 51 3 CONECT 52 3 CONECT 53 4 CONECT 54 5 CONECT 55 6 CONECT 56 6 CONECT 57 7 CONECT 58 9 CONECT 59 9 CONECT 60 9 CONECT 61 10 CONECT 62 10 CONECT 63 10 CONECT 64 11 CONECT 65 11 CONECT 66 13 CONECT 67 15 CONECT 68 19 CONECT 69 19 CONECT 70 23 CONECT 71 23 CONECT 72 24 CONECT 73 24 CONECT 74 24 CONECT 75 28 CONECT 76 28 CONECT 77 28 CONECT 78 29 CONECT 79 31 CONECT 80 31 CONECT 81 32 CONECT 82 34 CONECT 83 34 CONECT 84 34 CONECT 85 35 CONECT 86 35 CONECT 87 35 CONECT 88 38 CONECT 89 40 CONECT 90 41 CONECT 91 41 CONECT 92 42 CONECT 93 43 CONECT 94 44 CONECT 95 45 CONECT 96 46 CONECT 97 47 CONECT 98 48 MASTER 0 0 0 0 0 0 0 0 98 0 198 0 END