HEADER PROTEIN 22-NOV-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-NOV-22 0 HETATM 1 H UNK 0 5.584 9.223 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 5.773 10.751 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 5.962 12.279 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 7.380 12.880 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 7.570 14.408 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 8.988 15.008 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 10.217 14.080 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 11.635 14.680 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 11.824 16.209 0.000 0.00 0.00 C+0 HETATM 10 N UNK 0 10.595 17.137 0.000 0.00 0.00 N+0 HETATM 11 O UNK 0 13.242 16.809 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 10.027 12.552 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 8.609 11.952 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 7.191 11.351 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 8.420 10.423 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 9.838 11.024 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 8.231 8.895 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 9.460 7.967 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 10.878 8.567 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 11.067 10.095 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 12.485 10.696 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 13.714 9.768 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 15.133 10.368 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 16.362 9.440 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 16.172 7.912 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 17.780 10.040 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 19.009 9.112 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 20.427 9.713 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 21.656 8.785 0.000 0.00 0.00 O+0 HETATM 30 N UNK 0 20.616 11.241 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 19.387 12.169 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 19.576 13.697 0.000 0.00 0.00 O+0 HETATM 33 N UNK 0 17.969 11.569 0.000 0.00 0.00 N+0 HETATM 34 C UNK 0 13.525 8.239 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 12.107 7.639 0.000 0.00 0.00 C+0 HETATM 36 N UNK 0 6.813 8.295 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 6.623 6.766 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 7.852 5.838 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 5.205 6.166 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 5.016 4.638 0.000 0.00 0.00 C+0 HETATM 41 S UNK 0 3.598 4.037 0.000 0.00 0.00 S+0 HETATM 42 S UNK 0 3.409 2.509 0.000 0.00 0.00 S+0 HETATM 43 C UNK 0 1.990 1.909 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 0.762 2.837 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 0.951 4.365 0.000 0.00 0.00 N+0 HETATM 46 C UNK 0 -0.278 5.293 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 -1.696 4.693 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 -0.089 6.821 0.000 0.00 0.00 C+0 HETATM 49 H UNK 0 0.100 8.350 0.000 0.00 0.00 H+0 HETATM 50 N UNK 0 1.329 7.422 0.000 0.00 0.00 N+0 HETATM 51 C UNK 0 1.518 8.950 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 0.289 9.878 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 2.937 9.550 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 1.708 10.478 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 1.897 12.007 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 3.315 12.607 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 3.504 14.135 0.000 0.00 0.00 C+0 HETATM 58 N UNK 0 2.275 15.063 0.000 0.00 0.00 N+0 HETATM 59 N UNK 0 3.126 11.079 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 4.544 11.679 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 4.733 13.207 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 -1.318 7.749 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -2.736 7.149 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 -1.129 9.278 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 -0.657 2.236 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 -1.886 3.164 0.000 0.00 0.00 O+0 HETATM 67 N UNK 0 -0.846 0.708 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 -2.264 0.108 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -3.493 1.036 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -4.911 0.436 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -5.100 -1.093 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -6.519 -1.693 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -7.748 -0.765 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 -9.166 -1.365 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 -7.558 0.763 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -6.140 1.364 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -2.453 -1.421 0.000 0.00 0.00 C+0 HETATM 78 N UNK 0 -1.224 -2.349 0.000 0.00 0.00 N+0 HETATM 79 O UNK 0 -3.871 -2.021 0.000 0.00 0.00 O+0 HETATM 80 N UNK 0 6.434 5.238 0.000 0.00 0.00 N+0 HETATM 81 C UNK 0 7.829 4.586 0.000 0.00 0.00 C+0 HETATM 82 O UNK 0 9.092 5.468 0.000 0.00 0.00 O+0 HETATM 83 C UNK 0 7.962 3.051 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 7.934 1.512 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 6.586 0.766 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 6.557 -0.773 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 5.210 -1.519 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 3.891 -0.724 0.000 0.00 0.00 C+0 HETATM 89 Cl UNK 0 2.543 -1.469 0.000 0.00 0.00 Cl+0 HETATM 90 C UNK 0 3.919 0.816 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 5.267 1.561 0.000 0.00 0.00 C+0 HETATM 92 N UNK 0 9.310 3.797 0.000 0.00 0.00 N+0 HETATM 93 C UNK 0 10.629 3.002 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 10.600 1.462 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 11.977 3.747 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 13.296 2.953 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 14.643 3.698 0.000 0.00 0.00 C+0 HETATM 98 N UNK 0 15.963 2.904 0.000 0.00 0.00 N+0 HETATM 99 C UNK 0 17.160 3.872 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 18.700 3.843 0.000 0.00 0.00 C+0 HETATM 101 N UNK 0 19.861 2.832 0.000 0.00 0.00 N+0 HETATM 102 C UNK 0 21.209 3.577 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 22.528 2.782 0.000 0.00 0.00 C+0 HETATM 104 O UNK 0 23.876 3.528 0.000 0.00 0.00 O+0 HETATM 105 O UNK 0 22.500 1.243 0.000 0.00 0.00 O+0 HETATM 106 C UNK 0 20.101 1.310 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 19.306 -0.009 0.000 0.00 0.00 C+0 HETATM 108 N UNK 0 17.850 -0.509 0.000 0.00 0.00 N+0 HETATM 109 C UNK 0 17.821 -2.048 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 19.141 -2.843 0.000 0.00 0.00 C+0 HETATM 111 O UNK 0 20.488 -2.098 0.000 0.00 0.00 O+0 HETATM 112 O UNK 0 19.112 -4.383 0.000 0.00 0.00 O+0 HETATM 113 C UNK 0 16.413 0.045 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 15.667 1.392 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 14.672 5.238 0.000 0.00 0.00 C+0 HETATM 116 O UNK 0 16.020 5.983 0.000 0.00 0.00 O+0 HETATM 117 O UNK 0 13.353 6.032 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 14 60 CONECT 3 2 4 CONECT 4 3 5 13 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 12 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 CONECT 12 7 13 CONECT 13 12 4 CONECT 14 2 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 36 CONECT 18 17 19 CONECT 19 18 20 35 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 34 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 33 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 26 CONECT 34 22 35 CONECT 35 34 19 CONECT 36 17 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 80 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 65 CONECT 45 44 46 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 50 62 CONECT 49 48 CONECT 50 48 51 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 54 59 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 CONECT 59 53 60 CONECT 60 59 2 61 CONECT 61 60 CONECT 62 48 63 64 CONECT 63 62 CONECT 64 62 CONECT 65 44 66 67 CONECT 66 65 CONECT 67 65 68 CONECT 68 67 69 77 CONECT 69 68 70 CONECT 70 69 71 76 CONECT 71 70 72 CONECT 72 71 73 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 CONECT 76 75 70 CONECT 77 68 78 79 CONECT 78 77 CONECT 79 77 CONECT 80 39 81 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 84 92 CONECT 84 83 85 CONECT 85 84 86 91 CONECT 86 85 87 CONECT 87 86 88 CONECT 88 87 89 90 CONECT 89 88 CONECT 90 88 91 CONECT 91 90 85 CONECT 92 83 93 CONECT 93 92 94 95 CONECT 94 93 CONECT 95 93 96 CONECT 96 95 97 CONECT 97 96 98 115 CONECT 98 97 99 114 CONECT 99 98 100 CONECT 100 99 101 CONECT 101 100 102 106 CONECT 102 101 103 CONECT 103 102 104 105 CONECT 104 103 CONECT 105 103 CONECT 106 101 107 CONECT 107 106 108 CONECT 108 107 109 113 CONECT 109 108 110 CONECT 110 109 111 112 CONECT 111 110 CONECT 112 110 CONECT 113 108 114 CONECT 114 113 98 CONECT 115 97 116 117 CONECT 116 115 CONECT 117 115 MASTER 0 0 0 0 0 0 0 0 117 0 246 0 END