HEADER PROTEIN 30-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 30-APR-22 0 HETATM 1 H UNK 0 7.346 13.228 0.000 0.00 0.00 H+0 HETATM 2 O UNK 0 8.825 13.655 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 9.195 15.150 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 10.305 14.082 0.000 0.00 0.00 H+0 HETATM 5 C UNK 0 10.675 15.577 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 11.045 17.072 0.000 0.00 0.00 O+0 HETATM 7 N UNK 0 11.784 14.509 0.000 0.00 0.00 N+0 HETATM 8 H UNK 0 12.212 13.030 0.000 0.00 0.00 H+0 HETATM 9 C UNK 0 13.264 14.936 0.000 0.00 0.00 C+0 HETATM 10 H UNK 0 14.265 16.106 0.000 0.00 0.00 H+0 HETATM 11 H UNK 0 12.924 16.438 0.000 0.00 0.00 H+0 HETATM 12 C UNK 0 14.374 13.869 0.000 0.00 0.00 C+0 HETATM 13 H UNK 0 13.372 12.699 0.000 0.00 0.00 H+0 HETATM 14 H UNK 0 14.714 12.367 0.000 0.00 0.00 H+0 HETATM 15 C UNK 0 15.853 14.296 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 16.223 15.791 0.000 0.00 0.00 O+0 HETATM 17 N UNK 0 16.963 13.228 0.000 0.00 0.00 N+0 HETATM 18 H UNK 0 16.593 11.733 0.000 0.00 0.00 H+0 HETATM 19 C UNK 0 18.443 13.655 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 19.444 14.825 0.000 0.00 0.00 H+0 HETATM 21 H UNK 0 18.102 15.157 0.000 0.00 0.00 H+0 HETATM 22 C UNK 0 19.552 12.587 0.000 0.00 0.00 C+0 HETATM 23 H UNK 0 18.551 11.417 0.000 0.00 0.00 H+0 HETATM 24 H UNK 0 19.893 11.085 0.000 0.00 0.00 H+0 HETATM 25 S UNK 0 21.032 13.014 0.000 0.00 0.00 S+0 HETATM 26 C UNK 0 22.142 11.947 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 21.772 10.452 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 23.621 12.374 0.000 0.00 0.00 C+0 HETATM 29 H UNK 0 24.134 10.921 0.000 0.00 0.00 H+0 HETATM 30 H UNK 0 25.092 11.917 0.000 0.00 0.00 H+0 HETATM 31 C UNK 0 23.991 13.869 0.000 0.00 0.00 C+0 HETATM 32 H UNK 0 25.505 13.586 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 25.122 14.914 0.000 0.00 0.00 H+0 HETATM 34 C UNK 0 22.881 14.936 0.000 0.00 0.00 C+0 HETATM 35 H UNK 0 21.367 15.219 0.000 0.00 0.00 H+0 HETATM 36 H UNK 0 21.751 13.891 0.000 0.00 0.00 H+0 HETATM 37 C UNK 0 23.251 16.431 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 22.142 17.499 0.000 0.00 0.00 H+0 HETATM 39 C UNK 0 24.731 16.858 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 25.101 18.353 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 25.840 15.791 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 26.687 14.504 0.000 0.00 0.00 H+0 HETATM 43 H UNK 0 26.210 17.286 0.000 0.00 0.00 H+0 HETATM 44 C UNK 0 27.320 16.218 0.000 0.00 0.00 C+0 HETATM 45 H UNK 0 28.388 17.327 0.000 0.00 0.00 H+0 HETATM 46 C UNK 0 28.430 15.150 0.000 0.00 0.00 C+0 HETATM 47 H UNK 0 29.909 15.577 0.000 0.00 0.00 H+0 HETATM 48 C UNK 0 28.060 13.655 0.000 0.00 0.00 C+0 HETATM 49 H UNK 0 28.572 12.203 0.000 0.00 0.00 H+0 HETATM 50 H UNK 0 29.531 13.199 0.000 0.00 0.00 H+0 HETATM 51 C UNK 0 26.580 13.228 0.000 0.00 0.00 C+0 HETATM 52 H UNK 0 25.231 12.485 0.000 0.00 0.00 H+0 HETATM 53 C UNK 0 26.210 11.733 0.000 0.00 0.00 C+0 HETATM 54 H UNK 0 25.520 10.356 0.000 0.00 0.00 H+0 HETATM 55 C UNK 0 27.320 10.665 0.000 0.00 0.00 C+0 HETATM 56 H UNK 0 26.319 9.495 0.000 0.00 0.00 H+0 HETATM 57 H UNK 0 27.660 9.163 0.000 0.00 0.00 H+0 HETATM 58 C UNK 0 28.800 11.092 0.000 0.00 0.00 C+0 HETATM 59 H UNK 0 30.149 11.835 0.000 0.00 0.00 H+0 HETATM 60 C UNK 0 29.909 10.024 0.000 0.00 0.00 C+0 HETATM 61 H UNK 0 31.389 10.452 0.000 0.00 0.00 H+0 HETATM 62 C UNK 0 29.539 8.530 0.000 0.00 0.00 C+0 HETATM 63 H UNK 0 28.026 8.812 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 28.409 7.484 0.000 0.00 0.00 H+0 HETATM 65 C UNK 0 30.649 7.462 0.000 0.00 0.00 C+0 HETATM 66 H UNK 0 32.163 7.179 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 31.780 8.507 0.000 0.00 0.00 H+0 HETATM 68 C UNK 0 30.279 5.967 0.000 0.00 0.00 C+0 HETATM 69 H UNK 0 28.765 6.249 0.000 0.00 0.00 H+0 HETATM 70 H UNK 0 29.149 4.921 0.000 0.00 0.00 H+0 HETATM 71 C UNK 0 31.389 4.899 0.000 0.00 0.00 C+0 HETATM 72 H UNK 0 32.903 4.617 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 32.519 5.945 0.000 0.00 0.00 H+0 HETATM 74 C UNK 0 31.019 3.404 0.000 0.00 0.00 C+0 HETATM 75 H UNK 0 29.524 3.774 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 30.649 1.909 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 32.514 3.034 0.000 0.00 0.00 H+0 HETATM 78 C UNK 0 8.085 16.218 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 6.976 17.286 0.000 0.00 0.00 C+0 HETATM 80 H UNK 0 8.044 18.395 0.000 0.00 0.00 H+0 HETATM 81 H UNK 0 5.866 18.353 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 5.908 16.176 0.000 0.00 0.00 H+0 HETATM 83 C UNK 0 9.153 17.327 0.000 0.00 0.00 C+0 HETATM 84 H UNK 0 9.770 15.916 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 10.693 17.357 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 9.715 18.761 0.000 0.00 0.00 H+0 HETATM 87 C UNK 0 7.018 15.108 0.000 0.00 0.00 C+0 HETATM 88 H UNK 0 6.735 13.594 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 8.063 13.978 0.000 0.00 0.00 H+0 HETATM 90 O UNK 0 5.523 15.478 0.000 0.00 0.00 O+0 HETATM 91 P UNK 0 4.455 14.368 0.000 0.00 0.00 P+0 HETATM 92 O UNK 0 5.565 13.300 0.000 0.00 0.00 O-1 HETATM 93 O UNK 0 3.345 15.436 0.000 0.00 0.00 O+0 HETATM 94 O UNK 0 3.387 13.259 0.000 0.00 0.00 O+0 HETATM 95 P UNK 0 1.892 13.628 0.000 0.00 0.00 P+0 HETATM 96 O UNK 0 1.522 12.134 0.000 0.00 0.00 O-1 HETATM 97 O UNK 0 2.262 15.123 0.000 0.00 0.00 O+0 HETATM 98 O UNK 0 0.397 13.998 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -0.670 12.889 0.000 0.00 0.00 C+0 HETATM 100 H UNK 0 -0.953 11.375 0.000 0.00 0.00 H+0 HETATM 101 H UNK 0 0.375 11.758 0.000 0.00 0.00 H+0 HETATM 102 C UNK 0 -2.165 13.259 0.000 0.00 0.00 C+0 HETATM 103 H UNK 0 -1.816 11.759 0.000 0.00 0.00 H+0 HETATM 104 O UNK 0 -2.745 14.685 0.000 0.00 0.00 O+0 HETATM 105 C UNK 0 -4.281 14.575 0.000 0.00 0.00 C+0 HETATM 106 H UNK 0 -5.781 14.226 0.000 0.00 0.00 H+0 HETATM 107 N UNK 0 -5.273 15.753 0.000 0.00 0.00 N+0 HETATM 108 C UNK 0 -6.809 15.643 0.000 0.00 0.00 C+0 HETATM 109 H UNK 0 -8.155 14.896 0.000 0.00 0.00 H+0 HETATM 110 N UNK 0 -7.388 17.070 0.000 0.00 0.00 N+0 HETATM 111 C UNK 0 -6.210 18.062 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 -6.159 19.601 0.000 0.00 0.00 C+0 HETATM 113 N UNK 0 -4.801 20.326 0.000 0.00 0.00 N+0 HETATM 114 C UNK 0 -3.494 19.513 0.000 0.00 0.00 C+0 HETATM 115 H UNK 0 -2.135 20.238 0.000 0.00 0.00 H+0 HETATM 116 N UNK 0 -3.545 17.973 0.000 0.00 0.00 N+0 HETATM 117 C UNK 0 -4.903 17.248 0.000 0.00 0.00 C+0 HETATM 118 N UNK 0 -7.467 20.415 0.000 0.00 0.00 N+0 HETATM 119 H UNK 0 -7.416 21.954 0.000 0.00 0.00 H+0 HETATM 120 H UNK 0 -8.825 19.689 0.000 0.00 0.00 H+0 HETATM 121 C UNK 0 -4.651 13.080 0.000 0.00 0.00 C+0 HETATM 122 H UNK 0 -4.782 11.546 0.000 0.00 0.00 H+0 HETATM 123 O UNK 0 -6.078 12.501 0.000 0.00 0.00 O+0 HETATM 124 H UNK 0 -7.599 12.264 0.000 0.00 0.00 H+0 HETATM 125 C UNK 0 -3.343 12.267 0.000 0.00 0.00 C+0 HETATM 126 H UNK 0 -3.454 13.803 0.000 0.00 0.00 H+0 HETATM 127 O UNK 0 -3.233 10.730 0.000 0.00 0.00 O+0 HETATM 128 P UNK 0 -4.508 9.867 0.000 0.00 0.00 P+0 HETATM 129 O UNK 0 -5.784 9.004 0.000 0.00 0.00 O-1 HETATM 130 O UNK 0 -3.645 8.592 0.000 0.00 0.00 O-1 HETATM 131 O UNK 0 -5.372 11.142 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 78 CONECT 4 3 CONECT 5 3 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 11 12 CONECT 10 9 CONECT 11 9 CONECT 12 9 13 14 15 CONECT 13 12 CONECT 14 12 CONECT 15 12 16 17 CONECT 16 15 CONECT 17 15 18 19 CONECT 18 17 CONECT 19 17 20 21 22 CONECT 20 19 CONECT 21 19 CONECT 22 19 23 24 25 CONECT 23 22 CONECT 24 22 CONECT 25 22 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 30 31 CONECT 29 28 CONECT 30 28 CONECT 31 28 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 CONECT 38 37 CONECT 39 37 40 41 CONECT 40 39 CONECT 41 39 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 45 46 CONECT 45 44 CONECT 46 44 47 48 CONECT 47 46 CONECT 48 46 49 50 51 CONECT 49 48 CONECT 50 48 CONECT 51 48 52 53 CONECT 52 51 CONECT 53 51 54 55 CONECT 54 53 CONECT 55 53 56 57 58 CONECT 56 55 CONECT 57 55 CONECT 58 55 59 60 CONECT 59 58 CONECT 60 58 61 62 CONECT 61 60 CONECT 62 60 63 64 65 CONECT 63 62 CONECT 64 62 CONECT 65 62 66 67 68 CONECT 66 65 CONECT 67 65 CONECT 68 65 69 70 71 CONECT 69 68 CONECT 70 68 CONECT 71 68 72 73 74 CONECT 72 71 CONECT 73 71 CONECT 74 71 75 76 77 CONECT 75 74 CONECT 76 74 CONECT 77 74 CONECT 78 3 79 83 87 CONECT 79 78 80 81 82 CONECT 80 79 CONECT 81 79 CONECT 82 79 CONECT 83 78 84 85 86 CONECT 84 83 CONECT 85 83 CONECT 86 83 CONECT 87 78 88 89 90 CONECT 88 87 CONECT 89 87 CONECT 90 87 91 CONECT 91 90 92 93 94 CONECT 92 91 CONECT 93 91 CONECT 94 91 95 CONECT 95 94 96 97 98 CONECT 96 95 CONECT 97 95 CONECT 98 95 99 CONECT 99 98 100 101 102 CONECT 100 99 CONECT 101 99 CONECT 102 99 103 104 125 CONECT 103 102 CONECT 104 102 105 CONECT 105 104 106 107 121 CONECT 106 105 CONECT 107 105 108 117 CONECT 108 107 109 110 CONECT 109 108 CONECT 110 108 111 CONECT 111 110 112 117 CONECT 112 111 113 118 CONECT 113 112 114 CONECT 114 113 115 116 CONECT 115 114 CONECT 116 114 117 CONECT 117 116 107 111 CONECT 118 112 119 120 CONECT 119 118 CONECT 120 118 CONECT 121 105 122 123 125 CONECT 122 121 CONECT 123 121 124 CONECT 124 123 CONECT 125 121 102 126 127 CONECT 126 125 CONECT 127 125 128 CONECT 128 127 129 130 131 CONECT 129 128 CONECT 130 128 CONECT 131 128 MASTER 0 0 0 0 0 0 0 0 131 0 266 0 END