HEADER PROTEIN 07-JUN-17 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-17 0 HETATM 1 C UNK 0 -17.354 0.222 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -16.020 0.990 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -18.688 0.990 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -20.022 1.766 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -21.352 0.990 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -24.011 0.990 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -24.011 -0.562 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 -22.681 -1.338 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 -21.352 -0.562 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -20.022 -1.338 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -18.688 -0.562 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 -17.354 -1.330 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 -20.022 -2.878 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 -18.688 -3.646 0.000 0.00 0.00 N+0 HETATM 15 N UNK 0 -17.350 -2.878 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -16.016 -3.646 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -14.683 -2.878 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -13.349 -3.646 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -12.015 -2.878 0.000 0.00 0.00 C+0 HETATM 20 S UNK 0 -10.681 -3.646 0.000 0.00 0.00 S+0 HETATM 21 S UNK 0 -9.348 -2.878 0.000 0.00 0.00 S+0 HETATM 22 C UNK 0 -8.014 -3.646 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -6.680 -2.878 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 -5.346 -3.646 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 -4.013 -2.878 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.679 -3.646 0.000 0.00 0.00 C+0 HETATM 27 N UNK 0 -1.345 -2.878 0.000 0.00 0.00 N+0 HETATM 28 C UNK 0 -0.011 -3.646 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 1.322 -2.878 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 2.656 -3.646 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 3.993 -2.878 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 5.327 -3.646 0.000 0.00 0.00 C+0 HETATM 33 N UNK 0 6.661 -2.878 0.000 0.00 0.00 N+0 HETATM 34 C UNK 0 7.995 -3.646 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 9.329 -2.878 0.000 0.00 0.00 C+0 HETATM 36 N UNK 0 10.662 -3.646 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 11.996 -2.878 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 13.330 -3.646 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 14.663 -2.878 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 15.997 -3.646 0.000 0.00 0.00 C+0 HETATM 41 N UNK 0 17.331 -2.878 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 18.665 -3.646 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 18.665 -5.186 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 19.999 -2.878 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 19.999 -1.338 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 21.336 -0.566 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 22.666 -1.338 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 22.666 -2.878 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 21.336 -3.646 0.000 0.00 0.00 C+0 HETATM 50 N UNK 0 24.000 -0.566 0.000 0.00 0.00 N+0 HETATM 51 C UNK 0 25.334 -1.338 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 26.671 -0.566 0.000 0.00 0.00 C+0 HETATM 53 N UNK 0 28.001 -1.345 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 29.331 -0.566 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 29.331 0.986 0.000 0.00 0.00 C+0 HETATM 56 N UNK 0 28.001 1.762 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 26.671 0.986 0.000 0.00 0.00 C+0 HETATM 58 N UNK 0 30.661 1.762 0.000 0.00 0.00 N+0 HETATM 59 C UNK 0 31.991 0.986 0.000 0.00 0.00 C+0 HETATM 60 N UNK 0 31.991 -0.566 0.000 0.00 0.00 N+0 HETATM 61 C UNK 0 30.661 -1.345 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 30.661 -2.885 0.000 0.00 0.00 O+0 HETATM 63 N UNK 0 33.325 1.754 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 15.997 -5.186 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 17.331 -5.958 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 14.663 -5.958 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 11.996 -1.338 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 9.329 -1.338 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 7.995 -0.566 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 6.646 -1.315 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 7.995 0.974 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 7.995 -5.186 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 5.327 -6.443 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 6.661 -7.215 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 7.995 -6.443 0.000 0.00 0.00 C+0 HETATM 76 N UNK 0 9.329 -7.215 0.000 0.00 0.00 N+0 HETATM 77 C UNK 0 10.662 -6.443 0.000 0.00 0.00 C+0 HETATM 78 N UNK 0 10.662 -4.903 0.000 0.00 0.00 N+0 HETATM 79 N UNK 0 11.996 -7.215 0.000 0.00 0.00 N+0 HETATM 80 O UNK 0 3.993 -1.338 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 1.322 -1.338 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -0.011 -0.566 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 -1.357 -1.315 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 -0.011 0.974 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 -0.011 -5.186 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 -2.679 -5.186 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -4.028 -5.935 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 -5.362 -5.163 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 -4.028 -7.475 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 -4.013 -1.338 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 -6.680 -1.338 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 -5.346 -0.566 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 -8.014 -0.566 0.000 0.00 0.00 O+0 HETATM 94 O UNK 0 -16.016 -5.186 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 -21.355 -3.646 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 -18.688 -2.106 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 -22.681 -2.878 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 -25.341 -1.338 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 -26.671 -0.562 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 -26.671 0.990 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 -25.341 1.766 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 -26.671 4.207 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 -28.903 2.897 0.000 0.00 0.00 C+0 HETATM 104 O UNK 0 -30.237 3.665 0.000 0.00 0.00 O+0 HETATM 105 C UNK 0 -31.571 2.897 0.000 0.00 0.00 C+0 HETATM 106 O UNK 0 -28.903 1.357 0.000 0.00 0.00 O+0 HETATM 107 C UNK 0 -28.001 4.983 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 -28.001 6.535 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 -30.665 6.535 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 -30.665 4.983 0.000 0.00 0.00 C+0 HETATM 111 N UNK 0 -29.335 4.207 0.000 0.00 0.00 N+0 HETATM 112 C UNK 0 -31.995 4.207 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 -33.325 4.983 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 -33.325 6.535 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 -31.995 7.311 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 -26.671 7.311 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 -25.341 6.535 0.000 0.00 0.00 C+0 HETATM 118 N UNK 0 -24.122 7.475 0.000 0.00 0.00 N+0 HETATM 119 C UNK 0 -23.404 5.813 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 -24.180 4.093 0.000 0.00 0.00 C+0 HETATM 121 C UNK 0 -25.341 4.983 0.000 0.00 0.00 C+0 HETATM 122 C UNK 0 -22.792 4.318 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 -22.016 5.648 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 -22.624 7.089 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 -20.683 6.416 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 -19.345 5.648 0.000 0.00 0.00 C+0 HETATM 127 O UNK 0 -20.947 4.540 0.000 0.00 0.00 O+0 HETATM 128 H UNK 0 -24.550 2.599 0.000 0.00 0.00 H+0 HETATM 129 O UNK 0 -28.005 -1.330 0.000 0.00 0.00 O+0 HETATM 130 C UNK 0 -29.339 -0.562 0.000 0.00 0.00 C+0 HETATM 131 C UNK 0 -22.681 1.766 0.000 0.00 0.00 C+0 HETATM 132 C UNK 0 -22.681 3.317 0.000 0.00 0.00 C+0 HETATM 133 N UNK 0 -20.022 3.317 0.000 0.00 0.00 N+0 HETATM 134 C UNK 0 -18.688 4.097 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 -17.358 3.317 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 -17.358 1.766 0.000 0.00 0.00 C+0 HETATM 137 H UNK 0 -21.355 2.538 0.000 0.00 0.00 H+0 HETATM 138 H UNK 0 -20.018 0.208 0.000 0.00 0.00 H+0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 11 136 CONECT 4 3 5 133 137 CONECT 5 4 6 9 131 CONECT 6 5 7 101 CONECT 7 6 8 98 CONECT 8 7 97 9 CONECT 9 5 8 10 138 CONECT 10 9 13 96 11 CONECT 11 3 10 12 CONECT 12 11 CONECT 13 10 14 95 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 94 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 91 CONECT 24 23 25 CONECT 25 24 26 90 CONECT 26 25 27 86 CONECT 27 26 28 CONECT 28 27 29 85 CONECT 29 28 30 81 CONECT 30 29 31 CONECT 31 30 32 80 CONECT 32 31 33 73 CONECT 33 32 34 CONECT 34 33 35 72 CONECT 35 34 36 68 CONECT 36 35 37 CONECT 37 36 38 67 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 64 CONECT 41 40 42 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 49 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 50 48 CONECT 48 47 49 CONECT 49 44 48 CONECT 50 47 51 CONECT 51 50 52 CONECT 52 51 53 57 CONECT 53 52 54 CONECT 54 53 55 61 CONECT 55 54 58 56 CONECT 56 55 57 CONECT 57 52 56 CONECT 58 55 59 CONECT 59 58 63 60 CONECT 60 59 61 CONECT 61 54 60 62 CONECT 62 61 CONECT 63 59 CONECT 64 40 65 66 CONECT 65 64 CONECT 66 64 CONECT 67 37 CONECT 68 35 69 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 CONECT 72 34 CONECT 73 32 74 CONECT 74 73 75 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 CONECT 80 31 CONECT 81 29 82 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 CONECT 85 28 CONECT 86 26 87 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 CONECT 90 25 CONECT 91 23 92 93 CONECT 92 91 CONECT 93 91 CONECT 94 16 CONECT 95 13 CONECT 96 10 CONECT 97 8 CONECT 98 7 99 CONECT 99 98 129 100 CONECT 100 99 102 101 CONECT 101 6 100 CONECT 102 100 103 107 121 CONECT 103 102 104 106 CONECT 104 103 105 CONECT 105 104 CONECT 106 103 CONECT 107 102 108 111 CONECT 108 107 109 116 CONECT 109 108 110 115 CONECT 110 109 112 111 CONECT 111 107 110 CONECT 112 110 113 CONECT 113 112 114 CONECT 114 113 115 CONECT 115 109 114 CONECT 116 108 117 CONECT 117 116 118 CONECT 118 117 119 124 CONECT 119 118 120 CONECT 120 119 122 128 121 CONECT 121 102 120 CONECT 122 120 123 CONECT 123 122 124 125 127 CONECT 124 118 123 CONECT 125 123 126 CONECT 126 125 CONECT 127 123 CONECT 128 120 CONECT 129 99 130 CONECT 130 129 CONECT 131 5 132 CONECT 132 131 133 CONECT 133 4 132 134 CONECT 134 133 135 CONECT 135 134 136 CONECT 136 3 135 CONECT 137 4 CONECT 138 9 MASTER 0 0 0 0 0 0 0 0 138 0 298 0 END