HEADER PROTEIN 29-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-APR-22 0 HETATM 1 H UNK 0 -13.916 10.172 0.000 0.00 0.00 H+0 HETATM 2 N UNK 0 -12.804 9.108 0.000 0.00 0.00 N-1 HETATM 3 C UNK 0 -11.273 9.554 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 -10.148 8.503 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 -8.675 8.951 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -8.327 10.451 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 -6.854 10.900 0.000 0.00 0.00 N+0 HETATM 8 H UNK 0 -6.506 12.400 0.000 0.00 0.00 H+0 HETATM 9 C UNK 0 -5.728 9.849 0.000 0.00 0.00 C+0 HETATM 10 H UNK 0 -4.448 8.993 0.000 0.00 0.00 H+0 HETATM 11 C UNK 0 -4.440 10.768 0.000 0.00 0.00 C+0 HETATM 12 H UNK 0 -3.655 12.093 0.000 0.00 0.00 H+0 HETATM 13 H UNK 0 -5.118 12.150 0.000 0.00 0.00 H+0 HETATM 14 N UNK 0 -3.235 9.757 0.000 0.00 0.00 N+0 HETATM 15 H UNK 0 -2.837 8.269 0.000 0.00 0.00 H+0 HETATM 16 C UNK 0 -1.657 9.695 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.309 11.195 0.000 0.00 0.00 C+0 HETATM 18 H UNK 0 -2.434 12.246 0.000 0.00 0.00 H+0 HETATM 19 C UNK 0 0.164 11.643 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 0.544 13.136 0.000 0.00 0.00 H+0 HETATM 21 C UNK 0 1.097 10.694 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 0.942 9.092 0.000 0.00 0.00 C+0 HETATM 23 H UNK 0 2.133 8.116 0.000 0.00 0.00 H+0 HETATM 24 C UNK 0 -0.532 8.643 0.000 0.00 0.00 C+0 HETATM 25 H UNK 0 -0.880 7.143 0.000 0.00 0.00 H+0 HETATM 26 C UNK 0 2.891 10.846 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 2.675 12.461 0.000 0.00 0.00 O+0 HETATM 28 N UNK 0 4.277 9.662 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 5.761 10.469 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 5.069 11.955 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 7.612 10.641 0.000 0.00 0.00 C+0 HETATM 32 H UNK 0 8.486 9.374 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 9.152 10.626 0.000 0.00 0.00 H+0 HETATM 34 C UNK 0 8.590 12.001 0.000 0.00 0.00 C+0 HETATM 35 H UNK 0 7.979 13.414 0.000 0.00 0.00 H+0 HETATM 36 H UNK 0 7.169 12.594 0.000 0.00 0.00 H+0 HETATM 37 C UNK 0 9.894 12.965 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 8.773 14.021 0.000 0.00 0.00 H+0 HETATM 39 N UNK 0 10.592 11.592 0.000 0.00 0.00 N+0 HETATM 40 H UNK 0 11.703 10.526 0.000 0.00 0.00 H+0 HETATM 41 H UNK 0 12.082 11.981 0.000 0.00 0.00 H+0 HETATM 42 C UNK 0 10.741 14.266 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 10.043 15.639 0.000 0.00 0.00 O-1 HETATM 44 O UNK 0 12.279 14.184 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 4.605 7.840 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 4.507 6.107 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 3.021 5.378 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 4.721 4.383 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 4.288 2.784 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 2.808 2.177 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 4.832 1.253 0.000 0.00 0.00 C+0 HETATM 52 H UNK 0 6.190 0.528 0.000 0.00 0.00 H+0 HETATM 53 H UNK 0 6.260 1.829 0.000 0.00 0.00 H+0 HETATM 54 C UNK 0 4.132 -0.199 0.000 0.00 0.00 C+0 HETATM 55 H UNK 0 2.701 0.371 0.000 0.00 0.00 H+0 HETATM 56 H UNK 0 2.826 -1.015 0.000 0.00 0.00 H+0 HETATM 57 C UNK 0 5.052 -1.467 0.000 0.00 0.00 C+0 HETATM 58 H UNK 0 5.622 -0.036 0.000 0.00 0.00 H+0 HETATM 59 N UNK 0 6.566 -1.185 0.000 0.00 0.00 N+0 HETATM 60 H UNK 0 7.247 -2.566 0.000 0.00 0.00 H+0 HETATM 61 H UNK 0 8.103 -1.274 0.000 0.00 0.00 H+0 HETATM 62 C UNK 0 4.519 -2.978 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 5.520 -4.148 0.000 0.00 0.00 O-1 HETATM 64 O UNK 0 3.005 -3.260 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 3.129 6.926 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 2.853 8.345 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 1.754 5.857 0.000 0.00 0.00 C+0 HETATM 68 H UNK 0 1.007 7.203 0.000 0.00 0.00 H+0 HETATM 69 H UNK 0 1.747 4.317 0.000 0.00 0.00 H+0 HETATM 70 C UNK 0 0.114 5.255 0.000 0.00 0.00 C+0 HETATM 71 H UNK 0 -0.339 6.727 0.000 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.302 5.861 0.000 0.00 0.00 H+0 HETATM 73 C UNK 0 -0.590 3.819 0.000 0.00 0.00 C+0 HETATM 74 H UNK 0 -1.448 5.098 0.000 0.00 0.00 H+0 HETATM 75 N UNK 0 -2.126 3.715 0.000 0.00 0.00 N+0 HETATM 76 H UNK 0 -3.666 3.701 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.723 2.296 0.000 0.00 0.00 H+0 HETATM 78 C UNK 0 0.268 2.541 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 1.805 2.645 0.000 0.00 0.00 O-1 HETATM 80 O UNK 0 -0.410 1.158 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 6.344 7.962 0.000 0.00 0.00 C+0 HETATM 82 H UNK 0 5.515 9.260 0.000 0.00 0.00 H+0 HETATM 83 C UNK 0 7.189 9.494 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 6.680 11.180 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 9.073 9.374 0.000 0.00 0.00 C+0 HETATM 86 H UNK 0 8.602 7.908 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 9.685 7.961 0.000 0.00 0.00 H+0 HETATM 88 C UNK 0 10.710 9.533 0.000 0.00 0.00 C+0 HETATM 89 H UNK 0 10.804 7.996 0.000 0.00 0.00 H+0 HETATM 90 H UNK 0 10.052 10.926 0.000 0.00 0.00 H+0 HETATM 91 C UNK 0 12.344 9.575 0.000 0.00 0.00 C+0 HETATM 92 H UNK 0 11.610 8.222 0.000 0.00 0.00 H+0 HETATM 93 N UNK 0 13.174 8.224 0.000 0.00 0.00 N+0 HETATM 94 H UNK 0 13.880 6.856 0.000 0.00 0.00 H+0 HETATM 95 H UNK 0 14.709 8.340 0.000 0.00 0.00 H+0 HETATM 96 C UNK 0 13.360 10.846 0.000 0.00 0.00 C+0 HETATM 97 O UNK 0 13.479 12.430 0.000 0.00 0.00 O-1 HETATM 98 O UNK 0 14.930 10.700 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 7.542 6.718 0.000 0.00 0.00 C+0 HETATM 100 H UNK 0 6.030 6.422 0.000 0.00 0.00 H+0 HETATM 101 H UNK 0 6.972 5.287 0.000 0.00 0.00 H+0 HETATM 102 C UNK 0 8.503 5.369 0.000 0.00 0.00 C+0 HETATM 103 O UNK 0 8.820 3.792 0.000 0.00 0.00 O-1 HETATM 104 O UNK 0 10.062 5.229 0.000 0.00 0.00 O+0 HETATM 105 C UNK 0 -6.076 8.348 0.000 0.00 0.00 C+0 HETATM 106 H UNK 0 -6.110 6.809 0.000 0.00 0.00 H+0 HETATM 107 H UNK 0 -5.091 7.165 0.000 0.00 0.00 H+0 HETATM 108 N UNK 0 -7.550 7.900 0.000 0.00 0.00 N+0 HETATM 109 H UNK 0 -8.542 6.722 0.000 0.00 0.00 H+0 HETATM 110 C UNK 0 -9.452 11.503 0.000 0.00 0.00 C+0 HETATM 111 O UNK 0 -9.603 13.136 0.000 0.00 0.00 O+0 HETATM 112 H UNK 0 -8.346 14.025 0.000 0.00 0.00 H+0 HETATM 113 N UNK 0 -10.925 11.054 0.000 0.00 0.00 N+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 113 CONECT 4 3 5 CONECT 5 4 6 108 CONECT 6 5 7 110 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 105 CONECT 10 9 CONECT 11 9 12 13 14 CONECT 12 11 CONECT 13 11 CONECT 14 11 15 16 CONECT 15 14 CONECT 16 14 17 24 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 21 CONECT 20 19 CONECT 21 19 22 26 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 16 25 CONECT 25 24 CONECT 26 21 27 28 CONECT 27 26 CONECT 28 26 29 45 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 33 34 CONECT 32 31 CONECT 33 31 CONECT 34 31 35 36 37 CONECT 35 34 CONECT 36 34 CONECT 37 34 38 39 42 CONECT 38 37 CONECT 39 37 40 41 CONECT 40 39 CONECT 41 39 CONECT 42 37 43 44 CONECT 43 42 CONECT 44 42 CONECT 45 28 46 65 81 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 53 54 CONECT 52 51 CONECT 53 51 CONECT 54 51 55 56 57 CONECT 55 54 CONECT 56 54 CONECT 57 54 58 59 62 CONECT 58 57 CONECT 59 57 60 61 CONECT 60 59 CONECT 61 59 CONECT 62 57 63 64 CONECT 63 62 CONECT 64 62 CONECT 65 45 66 67 CONECT 66 65 CONECT 67 65 68 69 70 CONECT 68 67 CONECT 69 67 CONECT 70 67 71 72 73 CONECT 71 70 CONECT 72 70 CONECT 73 70 74 75 78 CONECT 74 73 CONECT 75 73 76 77 CONECT 76 75 CONECT 77 75 CONECT 78 73 79 80 CONECT 79 78 CONECT 80 78 CONECT 81 45 82 83 99 CONECT 82 81 CONECT 83 81 84 85 CONECT 84 83 CONECT 85 83 86 87 88 CONECT 86 85 CONECT 87 85 CONECT 88 85 89 90 91 CONECT 89 88 CONECT 90 88 CONECT 91 88 92 93 96 CONECT 92 91 CONECT 93 91 94 95 CONECT 94 93 CONECT 95 93 CONECT 96 91 97 98 CONECT 97 96 CONECT 98 96 CONECT 99 81 100 101 102 CONECT 100 99 CONECT 101 99 CONECT 102 99 103 104 CONECT 103 102 CONECT 104 102 CONECT 105 9 106 107 108 CONECT 106 105 CONECT 107 105 CONECT 108 105 5 109 CONECT 109 108 CONECT 110 6 111 113 CONECT 111 110 112 CONECT 112 111 CONECT 113 110 3 MASTER 0 0 0 0 0 0 0 0 113 0 230 0 END