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 -20.333 6.647 0.000 0.00 0.00 H+0 HETATM 2 O UNK 0 -21.666 5.877 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -21.666 4.337 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 -20.333 5.107 0.000 0.00 0.00 H+0 HETATM 5 C UNK 0 -20.333 3.567 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 -20.333 2.027 0.000 0.00 0.00 O+0 HETATM 7 N UNK 0 -18.999 4.337 0.000 0.00 0.00 N+0 HETATM 8 H UNK 0 -18.229 5.670 0.000 0.00 0.00 H+0 HETATM 9 C UNK 0 -17.665 3.567 0.000 0.00 0.00 C+0 HETATM 10 H UNK 0 -18.357 2.191 0.000 0.00 0.00 H+0 HETATM 11 H UNK 0 -16.974 2.191 0.000 0.00 0.00 H+0 HETATM 12 C UNK 0 -16.332 4.337 0.000 0.00 0.00 C+0 HETATM 13 H UNK 0 -15.641 5.713 0.000 0.00 0.00 H+0 HETATM 14 H UNK 0 -17.023 5.713 0.000 0.00 0.00 H+0 HETATM 15 C UNK 0 -14.998 3.567 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 -14.998 2.027 0.000 0.00 0.00 O+0 HETATM 17 N UNK 0 -13.664 4.337 0.000 0.00 0.00 N+0 HETATM 18 H UNK 0 -13.664 5.877 0.000 0.00 0.00 H+0 HETATM 19 C UNK 0 -12.331 3.567 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 -13.022 2.191 0.000 0.00 0.00 H+0 HETATM 21 H UNK 0 -11.640 2.191 0.000 0.00 0.00 H+0 HETATM 22 C UNK 0 -10.997 4.337 0.000 0.00 0.00 C+0 HETATM 23 H UNK 0 -10.306 5.713 0.000 0.00 0.00 H+0 HETATM 24 H UNK 0 -11.688 5.713 0.000 0.00 0.00 H+0 HETATM 25 S UNK 0 -9.663 3.567 0.000 0.00 0.00 S+0 HETATM 26 C UNK 0 -8.330 4.337 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -8.330 5.877 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -6.996 3.567 0.000 0.00 0.00 C+0 HETATM 29 H UNK 0 -7.687 2.191 0.000 0.00 0.00 H+0 HETATM 30 H UNK 0 -6.305 2.191 0.000 0.00 0.00 H+0 HETATM 31 C UNK 0 -5.662 4.337 0.000 0.00 0.00 C+0 HETATM 32 H UNK 0 -4.971 5.713 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 -6.353 5.713 0.000 0.00 0.00 H+0 HETATM 34 C UNK 0 -4.329 3.567 0.000 0.00 0.00 C+0 HETATM 35 H UNK 0 -5.020 2.191 0.000 0.00 0.00 H+0 HETATM 36 H UNK 0 -3.637 2.191 0.000 0.00 0.00 H+0 HETATM 37 C UNK 0 -2.995 4.337 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 -2.304 5.713 0.000 0.00 0.00 H+0 HETATM 39 H UNK 0 -3.686 5.713 0.000 0.00 0.00 H+0 HETATM 40 C UNK 0 -1.661 3.567 0.000 0.00 0.00 C+0 HETATM 41 H UNK 0 -2.352 2.191 0.000 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.970 2.191 0.000 0.00 0.00 H+0 HETATM 43 C UNK 0 -0.328 4.337 0.000 0.00 0.00 C+0 HETATM 44 H UNK 0 0.364 5.713 0.000 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.019 5.713 0.000 0.00 0.00 H+0 HETATM 46 C UNK 0 1.006 3.567 0.000 0.00 0.00 C+0 HETATM 47 H UNK 0 0.315 2.191 0.000 0.00 0.00 H+0 HETATM 48 H UNK 0 1.697 2.191 0.000 0.00 0.00 H+0 HETATM 49 C UNK 0 2.340 4.337 0.000 0.00 0.00 C+0 HETATM 50 H UNK 0 3.031 5.713 0.000 0.00 0.00 H+0 HETATM 51 H UNK 0 1.649 5.713 0.000 0.00 0.00 H+0 HETATM 52 C UNK 0 3.673 3.567 0.000 0.00 0.00 C+0 HETATM 53 H UNK 0 2.982 2.191 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 4.365 2.191 0.000 0.00 0.00 H+0 HETATM 55 C UNK 0 5.007 4.337 0.000 0.00 0.00 C+0 HETATM 56 H UNK 0 5.698 5.713 0.000 0.00 0.00 H+0 HETATM 57 H UNK 0 4.316 5.713 0.000 0.00 0.00 H+0 HETATM 58 C UNK 0 6.341 3.567 0.000 0.00 0.00 C+0 HETATM 59 H UNK 0 5.650 2.191 0.000 0.00 0.00 H+0 HETATM 60 H UNK 0 7.032 2.191 0.000 0.00 0.00 H+0 HETATM 61 C UNK 0 7.674 4.337 0.000 0.00 0.00 C+0 HETATM 62 H UNK 0 8.366 5.713 0.000 0.00 0.00 H+0 HETATM 63 H UNK 0 6.983 5.713 0.000 0.00 0.00 H+0 HETATM 64 C UNK 0 9.008 3.567 0.000 0.00 0.00 C+0 HETATM 65 H UNK 0 8.317 2.191 0.000 0.00 0.00 H+0 HETATM 66 H UNK 0 9.699 2.191 0.000 0.00 0.00 H+0 HETATM 67 C UNK 0 10.342 4.337 0.000 0.00 0.00 C+0 HETATM 68 H UNK 0 11.033 5.713 0.000 0.00 0.00 H+0 HETATM 69 H UNK 0 9.651 5.713 0.000 0.00 0.00 H+0 HETATM 70 C UNK 0 11.676 3.567 0.000 0.00 0.00 C+0 HETATM 71 H UNK 0 10.984 2.191 0.000 0.00 0.00 H+0 HETATM 72 H UNK 0 12.367 2.191 0.000 0.00 0.00 H+0 HETATM 73 C UNK 0 13.009 4.337 0.000 0.00 0.00 C+0 HETATM 74 H UNK 0 13.700 5.713 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 12.318 5.713 0.000 0.00 0.00 H+0 HETATM 76 C UNK 0 14.343 3.567 0.000 0.00 0.00 C+0 HETATM 77 H UNK 0 13.573 2.233 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 15.677 2.797 0.000 0.00 0.00 H+0 HETATM 79 H UNK 0 15.113 4.900 0.000 0.00 0.00 H+0 HETATM 80 C UNK 0 -23.000 3.567 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -23.770 4.900 0.000 0.00 0.00 C+0 HETATM 82 H UNK 0 -22.436 5.670 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 -24.540 6.234 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 -25.104 4.130 0.000 0.00 0.00 H+0 HETATM 85 C UNK 0 -22.230 2.233 0.000 0.00 0.00 C+0 HETATM 86 H UNK 0 -23.564 1.463 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 -21.460 0.899 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 -20.896 3.003 0.000 0.00 0.00 H+0 HETATM 89 C UNK 0 -24.334 2.797 0.000 0.00 0.00 C+0 HETATM 90 H UNK 0 -25.781 2.270 0.000 0.00 0.00 H+0 HETATM 91 H UNK 0 -24.861 1.350 0.000 0.00 0.00 H+0 HETATM 92 O UNK 0 -25.668 3.567 0.000 0.00 0.00 O+0 HETATM 93 P UNK 0 -27.001 2.797 0.000 0.00 0.00 P+0 HETATM 94 O UNK 0 -27.771 4.130 0.000 0.00 0.00 O-1 HETATM 95 O UNK 0 -26.231 1.463 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 -28.335 2.027 0.000 0.00 0.00 O+0 HETATM 97 P UNK 0 -29.669 2.797 0.000 0.00 0.00 P+0 HETATM 98 O UNK 0 -28.899 4.130 0.000 0.00 0.00 O-1 HETATM 99 O UNK 0 -30.439 1.463 0.000 0.00 0.00 O+0 HETATM 100 O UNK 0 -31.002 3.567 0.000 0.00 0.00 O+0 HETATM 101 C UNK 0 -32.336 2.797 0.000 0.00 0.00 C+0 HETATM 102 H UNK 0 -33.027 1.421 0.000 0.00 0.00 H+0 HETATM 103 H UNK 0 -31.645 1.421 0.000 0.00 0.00 H+0 HETATM 104 C UNK 0 -33.670 3.567 0.000 0.00 0.00 C+0 HETATM 105 H UNK 0 -32.378 4.405 0.000 0.00 0.00 H+0 HETATM 106 O UNK 0 -35.076 2.940 0.000 0.00 0.00 O+0 HETATM 107 C UNK 0 -36.107 4.085 0.000 0.00 0.00 C+0 HETATM 108 H UNK 0 -36.946 5.376 0.000 0.00 0.00 H+0 HETATM 109 N UNK 0 -37.638 3.924 0.000 0.00 0.00 N+0 HETATM 110 C UNK 0 -38.669 5.068 0.000 0.00 0.00 C+0 HETATM 111 H UNK 0 -39.121 6.540 0.000 0.00 0.00 H+0 HETATM 112 N UNK 0 -40.076 4.442 0.000 0.00 0.00 N+0 HETATM 113 C UNK 0 -39.915 2.910 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 -38.408 2.590 0.000 0.00 0.00 C+0 HETATM 115 N UNK 0 -37.933 1.126 0.000 0.00 0.00 N+0 HETATM 116 C UNK 0 -38.963 -0.019 0.000 0.00 0.00 C+0 HETATM 117 H UNK 0 -38.487 -1.484 0.000 0.00 0.00 H+0 HETATM 118 N UNK 0 -40.469 0.301 0.000 0.00 0.00 N+0 HETATM 119 C UNK 0 -40.945 1.766 0.000 0.00 0.00 C+0 HETATM 120 N UNK 0 -42.452 2.086 0.000 0.00 0.00 N+0 HETATM 121 H UNK 0 -42.928 3.551 0.000 0.00 0.00 H+0 HETATM 122 H UNK 0 -43.482 0.942 0.000 0.00 0.00 H+0 HETATM 123 C UNK 0 -35.337 5.418 0.000 0.00 0.00 C+0 HETATM 124 H UNK 0 -34.368 6.615 0.000 0.00 0.00 H+0 HETATM 125 O UNK 0 -35.963 6.825 0.000 0.00 0.00 O+0 HETATM 126 H UNK 0 -36.594 8.230 0.000 0.00 0.00 H+0 HETATM 127 C UNK 0 -33.831 5.098 0.000 0.00 0.00 C+0 HETATM 128 H UNK 0 -34.975 4.068 0.000 0.00 0.00 H+0 HETATM 129 O UNK 0 -32.686 6.129 0.000 0.00 0.00 O+0 HETATM 130 P UNK 0 -31.221 5.653 0.000 0.00 0.00 P+0 HETATM 131 O UNK 0 -31.697 4.188 0.000 0.00 0.00 O-1 HETATM 132 O UNK 0 -30.746 7.117 0.000 0.00 0.00 O-1 HETATM 133 O UNK 0 -29.757 5.177 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 80 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 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 41 42 43 CONECT 41 40 CONECT 42 40 CONECT 43 40 44 45 46 CONECT 44 43 CONECT 45 43 CONECT 46 43 47 48 49 CONECT 47 46 CONECT 48 46 CONECT 49 46 50 51 52 CONECT 50 49 CONECT 51 49 CONECT 52 49 53 54 55 CONECT 53 52 CONECT 54 52 CONECT 55 52 56 57 58 CONECT 56 55 CONECT 57 55 CONECT 58 55 59 60 61 CONECT 59 58 CONECT 60 58 CONECT 61 58 62 63 64 CONECT 62 61 CONECT 63 61 CONECT 64 61 65 66 67 CONECT 65 64 CONECT 66 64 CONECT 67 64 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 76 CONECT 74 73 CONECT 75 73 CONECT 76 73 77 78 79 CONECT 77 76 CONECT 78 76 CONECT 79 76 CONECT 80 3 81 85 89 CONECT 81 80 82 83 84 CONECT 82 81 CONECT 83 81 CONECT 84 81 CONECT 85 80 86 87 88 CONECT 86 85 CONECT 87 85 CONECT 88 85 CONECT 89 80 90 91 92 CONECT 90 89 CONECT 91 89 CONECT 92 89 93 CONECT 93 92 94 95 96 CONECT 94 93 CONECT 95 93 CONECT 96 93 97 CONECT 97 96 98 99 100 CONECT 98 97 CONECT 99 97 CONECT 100 97 101 CONECT 101 100 102 103 104 CONECT 102 101 CONECT 103 101 CONECT 104 101 105 106 127 CONECT 105 104 CONECT 106 104 107 CONECT 107 106 108 109 123 CONECT 108 107 CONECT 109 107 110 114 CONECT 110 109 111 112 CONECT 111 110 CONECT 112 110 113 CONECT 113 112 114 119 CONECT 114 113 109 115 CONECT 115 114 116 CONECT 116 115 117 118 CONECT 117 116 CONECT 118 116 119 CONECT 119 118 113 120 CONECT 120 119 121 122 CONECT 121 120 CONECT 122 120 CONECT 123 107 124 125 127 CONECT 124 123 CONECT 125 123 126 CONECT 126 125 CONECT 127 123 104 128 129 CONECT 128 127 CONECT 129 127 130 CONECT 130 129 131 132 133 CONECT 131 130 CONECT 132 130 CONECT 133 130 MASTER 0 0 0 0 0 0 0 0 133 0 270 0 END