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 -6.421 5.181 3.031 0.00 0.00 C+0 HETATM 2 O UNK 0 -6.393 3.756 2.872 0.00 0.00 O+0 HETATM 3 C UNK 0 -5.184 3.050 3.084 0.00 0.00 C+0 HETATM 4 O UNK 0 -4.215 3.766 3.410 0.00 0.00 O+0 HETATM 5 C UNK 0 -5.107 1.594 2.927 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.577 1.182 1.548 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.931 1.160 1.379 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.531 0.807 0.192 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.702 0.458 -0.870 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.318 0.477 -0.704 0.00 0.00 C+0 HETATM 11 O UNK 0 -4.508 0.134 -1.736 0.00 0.00 O+0 HETATM 12 C UNK 0 -4.735 0.848 0.528 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.276 0.927 0.585 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.587 -0.256 0.750 0.00 0.00 O+0 HETATM 15 C UNK 0 -1.588 -0.354 -0.228 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.283 -1.743 -0.640 0.00 0.00 C+0 HETATM 17 C UNK 0 0.048 -2.007 -1.235 0.00 0.00 C+0 HETATM 18 N UNK 0 0.676 -3.209 -0.705 0.00 0.00 N+0 HETATM 19 C UNK 0 1.115 -4.053 -1.856 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.250 -4.045 0.061 0.00 0.00 C+0 HETATM 21 C UNK 0 1.046 -0.889 -1.256 0.00 0.00 C+0 HETATM 22 O UNK 0 2.211 -1.107 -0.579 0.00 0.00 O+0 HETATM 23 C UNK 0 3.391 -0.956 -1.307 0.00 0.00 C+0 HETATM 24 C UNK 0 4.200 -2.200 -1.286 0.00 0.00 C+0 HETATM 25 C UNK 0 5.536 -1.984 -0.585 0.00 0.00 C+0 HETATM 26 O UNK 0 5.228 -1.623 0.726 0.00 0.00 O+0 HETATM 27 C UNK 0 6.229 -0.852 -1.298 0.00 0.00 C+0 HETATM 28 O UNK 0 7.354 -0.455 -0.576 0.00 0.00 O+0 HETATM 29 C UNK 0 8.526 -0.636 -1.301 0.00 0.00 C+0 HETATM 30 C UNK 0 9.136 0.704 -1.667 0.00 0.00 C+0 HETATM 31 C UNK 0 10.655 0.621 -1.518 0.00 0.00 C+0 HETATM 32 C UNK 0 10.961 0.295 -0.084 0.00 0.00 C+0 HETATM 33 O UNK 0 12.338 0.215 0.088 0.00 0.00 O+0 HETATM 34 C UNK 0 10.250 -0.976 0.297 0.00 0.00 C+0 HETATM 35 C UNK 0 9.507 -0.705 1.606 0.00 0.00 C+0 HETATM 36 O UNK 0 9.398 -1.418 -0.630 0.00 0.00 O+0 HETATM 37 C UNK 0 5.336 0.338 -1.467 0.00 0.00 C+0 HETATM 38 C UNK 0 5.987 1.620 -0.960 0.00 0.00 C+0 HETATM 39 O UNK 0 4.096 0.166 -0.880 0.00 0.00 O+0 HETATM 40 C UNK 0 0.445 0.386 -0.697 0.00 0.00 C+0 HETATM 41 C UNK 0 1.416 1.424 -0.308 0.00 0.00 C+0 HETATM 42 O UNK 0 -0.353 0.080 0.424 0.00 0.00 O+0 HETATM 43 C UNK 0 -2.994 1.831 1.818 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.674 1.117 2.962 0.00 0.00 C+0 HETATM 45 O UNK 0 -3.742 -0.276 2.645 0.00 0.00 O+0 HETATM 46 C UNK 0 -2.994 1.275 4.287 0.00 0.00 C+0 HETATM 47 C UNK 0 -1.604 0.707 4.112 0.00 0.00 C+0 HETATM 48 C UNK 0 -1.432 -0.757 4.393 0.00 0.00 C+0 HETATM 49 O UNK 0 -0.664 1.350 3.769 0.00 0.00 O+0 HETATM 50 C UNK 0 -7.359 0.117 -2.108 0.00 0.00 C+0 HETATM 51 O UNK 0 -6.691 -0.204 -3.091 0.00 0.00 O+0 HETATM 52 C UNK 0 -8.830 0.132 -2.258 0.00 0.00 C+0 HETATM 53 C UNK 0 -9.450 -0.184 -3.445 0.00 0.00 C+0 HETATM 54 O UNK 0 -8.759 -0.541 -4.544 0.00 0.00 O+0 HETATM 55 C UNK 0 -10.861 -0.152 -3.566 0.00 0.00 C+0 HETATM 56 C UNK 0 -11.633 0.197 -2.497 0.00 0.00 C+0 HETATM 57 C UNK 0 -11.018 0.514 -1.306 0.00 0.00 C+0 HETATM 58 C UNK 0 -9.638 0.481 -1.194 0.00 0.00 C+0 HETATM 59 C UNK 0 -8.979 0.825 0.057 0.00 0.00 C+0 HETATM 60 O UNK 0 -9.712 1.142 1.028 0.00 0.00 O+0 HETATM 61 H UNK 0 -5.857 5.416 3.981 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.432 5.586 3.008 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.780 5.579 2.211 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.719 1.054 3.692 0.00 0.00 H+0 HETATM 65 H UNK 0 -7.620 1.429 2.196 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.696 -0.144 -2.626 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.851 1.489 -0.289 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.712 0.380 -1.012 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.120 -2.057 -1.342 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.457 -2.428 0.251 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.182 -2.311 -2.322 0.00 0.00 H+0 HETATM 72 H UNK 0 1.638 -4.947 -1.452 0.00 0.00 H+0 HETATM 73 H UNK 0 1.808 -3.428 -2.450 0.00 0.00 H+0 HETATM 74 H UNK 0 0.232 -4.301 -2.446 0.00 0.00 H+0 HETATM 75 H UNK 0 0.273 -5.062 0.065 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.194 -4.245 -0.451 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.309 -3.781 1.125 0.00 0.00 H+0 HETATM 78 H UNK 0 1.250 -0.641 -2.332 0.00 0.00 H+0 HETATM 79 H UNK 0 3.093 -0.724 -2.350 0.00 0.00 H+0 HETATM 80 H UNK 0 4.429 -2.484 -2.359 0.00 0.00 H+0 HETATM 81 H UNK 0 3.747 -3.082 -0.833 0.00 0.00 H+0 HETATM 82 H UNK 0 6.118 -2.911 -0.579 0.00 0.00 H+0 HETATM 83 H UNK 0 5.998 -1.722 1.354 0.00 0.00 H+0 HETATM 84 H UNK 0 6.500 -1.239 -2.302 0.00 0.00 H+0 HETATM 85 H UNK 0 8.210 -1.093 -2.285 0.00 0.00 H+0 HETATM 86 H UNK 0 8.930 0.986 -2.708 0.00 0.00 H+0 HETATM 87 H UNK 0 8.828 1.528 -1.012 0.00 0.00 H+0 HETATM 88 H UNK 0 11.075 -0.221 -2.119 0.00 0.00 H+0 HETATM 89 H UNK 0 11.093 1.578 -1.799 0.00 0.00 H+0 HETATM 90 H UNK 0 10.613 1.145 0.559 0.00 0.00 H+0 HETATM 91 H UNK 0 12.765 0.938 -0.458 0.00 0.00 H+0 HETATM 92 H UNK 0 11.072 -1.740 0.523 0.00 0.00 H+0 HETATM 93 H UNK 0 9.181 0.345 1.693 0.00 0.00 H+0 HETATM 94 H UNK 0 8.608 -1.335 1.724 0.00 0.00 H+0 HETATM 95 H UNK 0 10.199 -0.870 2.475 0.00 0.00 H+0 HETATM 96 H UNK 0 5.166 0.488 -2.552 0.00 0.00 H+0 HETATM 97 H UNK 0 5.189 2.368 -0.690 0.00 0.00 H+0 HETATM 98 H UNK 0 6.633 1.400 -0.086 0.00 0.00 H+0 HETATM 99 H UNK 0 6.622 2.117 -1.716 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.215 0.824 -1.486 0.00 0.00 H+0 HETATM 101 H UNK 0 2.026 1.839 -1.139 0.00 0.00 H+0 HETATM 102 H UNK 0 0.807 2.276 0.147 0.00 0.00 H+0 HETATM 103 H UNK 0 2.036 1.087 0.542 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.478 2.783 1.535 0.00 0.00 H+0 HETATM 105 H UNK 0 -1.931 2.001 1.936 0.00 0.00 H+0 HETATM 106 H UNK 0 -4.639 -0.634 2.764 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.855 2.326 4.551 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.468 0.676 5.087 0.00 0.00 H+0 HETATM 109 H UNK 0 -1.312 -1.338 3.438 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.539 -0.957 5.002 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.348 -1.183 4.899 0.00 0.00 H+0 HETATM 112 H UNK 0 -7.863 -0.662 -4.814 0.00 0.00 H+0 HETATM 113 H UNK 0 -11.312 -0.406 -4.506 0.00 0.00 H+0 HETATM 114 H UNK 0 -12.710 0.219 -2.594 0.00 0.00 H+0 HETATM 115 H UNK 0 -11.632 0.788 -0.474 0.00 0.00 H+0 CONECT 1 2 61 62 63 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 44 64 CONECT 6 5 7 12 CONECT 7 6 8 65 CONECT 8 7 9 59 CONECT 9 8 10 50 CONECT 10 9 11 12 CONECT 11 10 66 CONECT 12 10 13 6 CONECT 13 12 14 43 67 CONECT 14 13 15 CONECT 15 14 16 42 68 CONECT 16 15 17 69 70 CONECT 17 16 18 21 71 CONECT 18 17 19 20 CONECT 19 18 72 73 74 CONECT 20 18 75 76 77 CONECT 21 17 22 40 78 CONECT 22 21 23 CONECT 23 22 24 39 79 CONECT 24 23 25 80 81 CONECT 25 24 26 27 82 CONECT 26 25 83 CONECT 27 25 28 37 84 CONECT 28 27 29 CONECT 29 28 30 36 85 CONECT 30 29 31 86 87 CONECT 31 30 32 88 89 CONECT 32 31 33 34 90 CONECT 33 32 91 CONECT 34 32 35 36 92 CONECT 35 34 93 94 95 CONECT 36 34 29 CONECT 37 27 38 39 96 CONECT 38 37 97 98 99 CONECT 39 37 23 CONECT 40 21 41 42 100 CONECT 41 40 101 102 103 CONECT 42 40 15 CONECT 43 13 44 104 105 CONECT 44 43 45 46 5 CONECT 45 44 106 CONECT 46 44 47 107 108 CONECT 47 46 48 49 CONECT 48 47 109 110 111 CONECT 49 47 CONECT 50 9 51 52 CONECT 51 50 CONECT 52 50 53 58 CONECT 53 52 54 55 CONECT 54 53 112 CONECT 55 53 56 113 CONECT 56 55 57 114 CONECT 57 56 58 115 CONECT 58 57 59 52 CONECT 59 58 60 8 CONECT 60 59 CONECT 61 1 CONECT 62 1 CONECT 63 1 CONECT 64 5 CONECT 65 7 CONECT 66 11 CONECT 67 13 CONECT 68 15 CONECT 69 16 CONECT 70 16 CONECT 71 17 CONECT 72 19 CONECT 73 19 CONECT 74 19 CONECT 75 20 CONECT 76 20 CONECT 77 20 CONECT 78 21 CONECT 79 23 CONECT 80 24 CONECT 81 24 CONECT 82 25 CONECT 83 26 CONECT 84 27 CONECT 85 29 CONECT 86 30 CONECT 87 30 CONECT 88 31 CONECT 89 31 CONECT 90 32 CONECT 91 33 CONECT 92 34 CONECT 93 35 CONECT 94 35 CONECT 95 35 CONECT 96 37 CONECT 97 38 CONECT 98 38 CONECT 99 38 CONECT 100 40 CONECT 101 41 CONECT 102 41 CONECT 103 41 CONECT 104 43 CONECT 105 43 CONECT 106 45 CONECT 107 46 CONECT 108 46 CONECT 109 48 CONECT 110 48 CONECT 111 48 CONECT 112 54 CONECT 113 55 CONECT 114 56 CONECT 115 57 MASTER 0 0 0 0 0 0 0 0 115 0 242 0 END