HEADER PROTEIN 28-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 28-APR-22 0 HETATM 1 C UNK 0 7.555 8.788 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 8.993 8.234 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 10.190 9.203 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 9.951 10.724 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 8.514 11.277 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 7.316 10.309 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 5.879 10.862 0.000 0.00 0.00 N+0 HETATM 8 O UNK 0 8.274 12.798 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 11.149 11.692 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 11.628 8.649 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 11.867 7.128 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 10.669 6.160 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 9.232 6.713 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 10.909 4.639 0.000 0.00 0.00 C+0 HETATM 15 S UNK 0 12.280 3.938 0.000 0.00 0.00 S+0 HETATM 16 C UNK 0 12.038 2.418 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 10.517 2.178 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 9.819 3.551 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 9.817 0.806 0.000 0.00 0.00 C+0 HETATM 20 S UNK 0 10.514 -0.566 0.000 0.00 0.00 S+0 HETATM 21 C UNK 0 9.425 -1.654 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 8.053 -0.954 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 8.295 0.567 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 6.680 -1.652 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 5.389 -0.812 0.000 0.00 0.00 O+0 HETATM 26 N UNK 0 6.598 -3.190 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 5.225 -3.888 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 5.143 -5.425 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 3.771 -6.123 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 3.689 -7.661 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 2.316 -8.359 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 2.234 -9.897 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 0.861 -10.595 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.779 -12.132 0.000 0.00 0.00 C+0 HETATM 35 N UNK 0 -0.594 -12.830 0.000 0.00 0.00 N+0 HETATM 36 N UNK 0 13.304 6.575 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 14.502 7.543 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 14.262 9.064 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 15.939 6.990 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 17.137 7.958 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 18.574 7.405 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 18.814 5.883 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 19.772 8.373 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 21.209 7.820 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 21.449 6.298 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 22.407 8.788 0.000 0.00 0.00 C+0 HETATM 47 N UNK 0 23.844 8.234 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 25.042 9.203 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 24.802 10.724 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 26.479 8.649 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 27.676 9.617 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 27.437 11.139 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 26.000 11.692 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 28.635 12.107 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 28.395 13.628 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 29.593 14.596 0.000 0.00 0.00 C+0 HETATM 57 N UNK 0 31.030 14.043 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 31.270 12.522 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 30.072 11.554 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 30.311 10.032 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 32.707 11.968 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 29.353 16.117 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 30.551 17.085 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 30.311 18.607 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 28.874 19.160 0.000 0.00 0.00 O+0 HETATM 66 N UNK 0 31.509 19.575 0.000 0.00 0.00 N+0 HETATM 67 N UNK 0 27.916 16.671 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 27.676 18.192 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 26.239 18.745 0.000 0.00 0.00 C+0 HETATM 70 N UNK 0 25.042 17.777 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 26.000 20.266 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 24.563 20.819 0.000 0.00 0.00 O+0 HETATM 73 N UNK 0 27.197 21.234 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 26.718 7.128 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 28.156 6.575 0.000 0.00 0.00 C+0 HETATM 76 N UNK 0 29.448 7.412 0.000 0.00 0.00 N+0 HETATM 77 C UNK 0 30.644 6.442 0.000 0.00 0.00 C+0 HETATM 78 N UNK 0 30.091 5.005 0.000 0.00 0.00 N+0 HETATM 79 C UNK 0 28.553 5.087 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 25.521 6.160 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 25.760 4.639 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 24.563 3.671 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 24.802 2.149 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 26.239 1.596 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 27.437 2.564 0.000 0.00 0.00 C+0 HETATM 86 O UNK 0 27.197 4.086 0.000 0.00 0.00 O+0 HETATM 87 C UNK 0 28.874 2.011 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 30.072 2.979 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 26.479 0.075 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 23.604 1.181 0.000 0.00 0.00 O+0 HETATM 91 O UNK 0 23.125 4.224 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 21.928 3.256 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 22.167 1.735 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 20.969 0.766 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 19.532 1.320 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 19.293 2.841 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 20.490 3.809 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 20.251 5.330 0.000 0.00 0.00 O+0 HETATM 99 O UNK 0 17.856 3.394 0.000 0.00 0.00 O+0 HETATM 100 C UNK 0 16.658 2.426 0.000 0.00 0.00 C+0 HETATM 101 O UNK 0 15.221 2.979 0.000 0.00 0.00 O+0 HETATM 102 N UNK 0 16.897 0.905 0.000 0.00 0.00 N+0 HETATM 103 O UNK 0 18.335 0.352 0.000 0.00 0.00 O+0 HETATM 104 C UNK 0 21.209 -0.755 0.000 0.00 0.00 C+0 HETATM 105 O UNK 0 20.011 -1.723 0.000 0.00 0.00 O+0 HETATM 106 C UNK 0 22.167 10.309 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 16.179 5.469 0.000 0.00 0.00 C+0 HETATM 108 O UNK 0 14.981 4.500 0.000 0.00 0.00 O+0 HETATM 109 C UNK 0 17.616 4.915 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 6.358 7.820 0.000 0.00 0.00 C+0 CONECT 1 2 6 110 CONECT 2 1 3 CONECT 3 2 4 10 CONECT 4 3 5 9 CONECT 5 4 6 8 CONECT 6 5 1 7 CONECT 7 6 CONECT 8 5 CONECT 9 4 CONECT 10 3 11 CONECT 11 10 12 36 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 18 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 14 CONECT 19 17 20 23 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 24 CONECT 23 22 19 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 CONECT 36 11 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 107 CONECT 40 39 41 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 106 CONECT 47 46 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 74 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 59 CONECT 55 54 56 CONECT 56 55 57 62 CONECT 57 56 58 CONECT 58 57 59 61 CONECT 59 58 54 60 CONECT 60 59 CONECT 61 58 CONECT 62 56 63 67 CONECT 63 62 64 CONECT 64 63 65 66 CONECT 65 64 CONECT 66 64 CONECT 67 62 68 CONECT 68 67 69 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 72 73 CONECT 72 71 CONECT 73 71 CONECT 74 50 75 80 CONECT 75 74 76 79 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 75 CONECT 80 74 81 CONECT 81 80 82 86 CONECT 82 81 83 91 CONECT 83 82 84 90 CONECT 84 83 85 89 CONECT 85 84 86 87 CONECT 86 85 81 CONECT 87 85 88 CONECT 88 87 CONECT 89 84 CONECT 90 83 CONECT 91 82 92 CONECT 92 91 93 97 CONECT 93 92 94 CONECT 94 93 95 104 CONECT 95 94 96 103 CONECT 96 95 97 99 CONECT 97 96 92 98 CONECT 98 97 CONECT 99 96 100 CONECT 100 99 101 102 CONECT 101 100 CONECT 102 100 CONECT 103 95 CONECT 104 94 105 CONECT 105 104 CONECT 106 46 CONECT 107 39 108 109 CONECT 108 107 CONECT 109 107 CONECT 110 1 MASTER 0 0 0 0 0 0 0 0 110 0 232 0 END