HEADER PROTEIN 10-JUL-12 NONE TITLE NULL COMPND MOLECULE: 49859559 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-JUL-12 0 HETATM 1 P UNK 0 10.612 -0.325 0.000 0.00 0.00 P+0 HETATM 2 P UNK 0 13.049 -1.410 0.000 0.00 0.00 P+0 HETATM 3 O UNK 0 7.746 3.470 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 4.825 0.760 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 3.790 3.946 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 9.707 0.921 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 3.833 5.915 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 11.517 -1.571 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 11.858 0.580 0.000 0.00 0.00 O-1 HETATM 10 O UNK 0 9.366 -1.230 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 14.581 -1.249 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 17.923 -3.580 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 19.175 -0.766 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 13.210 -2.942 0.000 0.00 0.00 O-1 HETATM 15 O UNK 0 12.888 0.121 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 20.081 -2.012 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 18.897 1.887 0.000 0.00 0.00 O+0 HETATM 18 N UNK 0 6.500 5.915 0.000 0.00 0.00 N+0 HETATM 19 N UNK 0 5.167 8.225 0.000 0.00 0.00 N+0 HETATM 20 N UNK 0 6.500 10.536 0.000 0.00 0.00 N+0 HETATM 21 C UNK 0 5.730 2.006 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 5.254 3.470 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 7.270 2.006 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 6.500 4.375 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 8.175 0.760 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 7.834 6.685 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 5.167 6.685 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 7.834 8.225 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 29.202 -7.759 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 30.107 -9.005 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 28.434 6.912 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 29.965 7.073 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 27.670 -7.920 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 31.638 -8.844 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 27.807 5.505 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 30.592 8.480 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 6.500 8.996 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 26.765 -6.674 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 32.544 -10.090 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 26.276 5.344 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 32.124 8.641 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 25.233 -6.835 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 34.075 -9.929 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 25.649 3.937 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 32.750 10.048 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 24.328 -5.589 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 34.980 -11.175 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 24.118 3.776 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 34.281 10.209 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 22.796 -5.750 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 23.491 2.370 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 36.512 -11.014 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 34.908 11.616 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 21.891 -4.504 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 21.960 2.208 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 37.417 -12.260 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 36.439 11.777 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 20.359 -4.665 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 21.334 0.802 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 38.949 -12.099 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 37.066 13.183 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 17.018 -2.334 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 15.486 -2.495 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 19.454 -3.419 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 17.644 -0.927 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 19.802 0.641 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 39.854 -13.345 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 38.597 13.345 0.000 0.00 0.00 C+0 HETATM 69 H UNK 0 6.164 1.155 0.000 0.00 0.00 H+0 HETATM 70 H UNK 0 5.105 4.413 0.000 0.00 0.00 H+0 HETATM 71 H UNK 0 8.213 2.155 0.000 0.00 0.00 H+0 HETATM 72 H UNK 0 5.649 4.809 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 7.317 0.341 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 8.439 -0.158 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 5.213 -0.113 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 3.080 3.307 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 8.661 6.208 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 8.661 8.703 0.000 0.00 0.00 H+0 HETATM 79 H UNK 0 30.060 -7.340 0.000 0.00 0.00 H+0 HETATM 80 H UNK 0 28.938 -6.841 0.000 0.00 0.00 H+0 HETATM 81 H UNK 0 29.249 -9.423 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 30.370 -9.923 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 28.500 7.865 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 27.507 7.143 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 29.899 6.121 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 30.892 6.842 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 26.812 -8.338 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 27.933 -8.838 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 32.496 -8.425 0.000 0.00 0.00 H+0 HETATM 90 H UNK 0 31.375 -7.926 0.000 0.00 0.00 H+0 HETATM 91 H UNK 0 27.741 4.553 0.000 0.00 0.00 H+0 HETATM 92 H UNK 0 28.734 5.274 0.000 0.00 0.00 H+0 HETATM 93 H UNK 0 30.658 9.432 0.000 0.00 0.00 H+0 HETATM 94 H UNK 0 29.665 8.711 0.000 0.00 0.00 H+0 HETATM 95 H UNK 0 27.623 -6.255 0.000 0.00 0.00 H+0 HETATM 96 H UNK 0 26.502 -5.756 0.000 0.00 0.00 H+0 HETATM 97 H UNK 0 31.685 -10.508 0.000 0.00 0.00 H+0 HETATM 98 H UNK 0 32.807 -11.008 0.000 0.00 0.00 H+0 HETATM 99 H UNK 0 26.343 6.297 0.000 0.00 0.00 H+0 HETATM 100 H UNK 0 25.349 5.575 0.000 0.00 0.00 H+0 HETATM 101 H UNK 0 32.057 7.688 0.000 0.00 0.00 H+0 HETATM 102 H UNK 0 33.050 8.410 0.000 0.00 0.00 H+0 HETATM 103 H UNK 0 24.375 -7.253 0.000 0.00 0.00 H+0 HETATM 104 H UNK 0 25.496 -7.753 0.000 0.00 0.00 H+0 HETATM 105 H UNK 0 34.933 -9.510 0.000 0.00 0.00 H+0 HETATM 106 H UNK 0 33.812 -9.011 0.000 0.00 0.00 H+0 HETATM 107 H UNK 0 25.583 2.985 0.000 0.00 0.00 H+0 HETATM 108 H UNK 0 26.576 3.706 0.000 0.00 0.00 H+0 HETATM 109 H UNK 0 32.816 11.000 0.000 0.00 0.00 H+0 HETATM 110 H UNK 0 31.823 10.279 0.000 0.00 0.00 H+0 HETATM 111 H UNK 0 25.186 -5.170 0.000 0.00 0.00 H+0 HETATM 112 H UNK 0 24.065 -4.671 0.000 0.00 0.00 H+0 HETATM 113 H UNK 0 34.122 -11.593 0.000 0.00 0.00 H+0 HETATM 114 H UNK 0 35.244 -12.093 0.000 0.00 0.00 H+0 HETATM 115 H UNK 0 24.184 4.729 0.000 0.00 0.00 H+0 HETATM 116 H UNK 0 23.191 4.007 0.000 0.00 0.00 H+0 HETATM 117 H UNK 0 34.215 9.256 0.000 0.00 0.00 H+0 HETATM 118 H UNK 0 35.208 9.978 0.000 0.00 0.00 H+0 HETATM 119 H UNK 0 21.938 -6.168 0.000 0.00 0.00 H+0 HETATM 120 H UNK 0 23.059 -6.668 0.000 0.00 0.00 H+0 HETATM 121 H UNK 0 23.425 1.417 0.000 0.00 0.00 H+0 HETATM 122 H UNK 0 24.418 2.138 0.000 0.00 0.00 H+0 HETATM 123 H UNK 0 37.370 -10.595 0.000 0.00 0.00 H+0 HETATM 124 H UNK 0 36.249 -10.096 0.000 0.00 0.00 H+0 HETATM 125 H UNK 0 34.974 12.568 0.000 0.00 0.00 H+0 HETATM 126 H UNK 0 33.981 11.847 0.000 0.00 0.00 H+0 HETATM 127 H UNK 0 22.749 -4.085 0.000 0.00 0.00 H+0 HETATM 128 H UNK 0 21.628 -3.586 0.000 0.00 0.00 H+0 HETATM 129 H UNK 0 22.027 3.161 0.000 0.00 0.00 H+0 HETATM 130 H UNK 0 21.033 2.439 0.000 0.00 0.00 H+0 HETATM 131 H UNK 0 36.559 -12.678 0.000 0.00 0.00 H+0 HETATM 132 H UNK 0 37.680 -13.177 0.000 0.00 0.00 H+0 HETATM 133 H UNK 0 36.373 10.824 0.000 0.00 0.00 H+0 HETATM 134 H UNK 0 37.366 11.546 0.000 0.00 0.00 H+0 HETATM 135 H UNK 0 7.327 11.013 0.000 0.00 0.00 H+0 HETATM 136 H UNK 0 5.673 11.013 0.000 0.00 0.00 H+0 HETATM 137 H UNK 0 19.501 -5.084 0.000 0.00 0.00 H+0 HETATM 138 H UNK 0 20.623 -5.583 0.000 0.00 0.00 H+0 HETATM 139 H UNK 0 21.267 -0.151 0.000 0.00 0.00 H+0 HETATM 140 H UNK 0 22.260 0.571 0.000 0.00 0.00 H+0 HETATM 141 H UNK 0 39.807 -11.680 0.000 0.00 0.00 H+0 HETATM 142 H UNK 0 38.686 -11.181 0.000 0.00 0.00 H+0 HETATM 143 H UNK 0 37.132 14.136 0.000 0.00 0.00 H+0 HETATM 144 H UNK 0 36.139 13.415 0.000 0.00 0.00 H+0 HETATM 145 H UNK 0 16.629 -3.207 0.000 0.00 0.00 H+0 HETATM 146 H UNK 0 14.628 -2.914 0.000 0.00 0.00 H+0 HETATM 147 H UNK 0 15.749 -3.413 0.000 0.00 0.00 H+0 HETATM 148 H UNK 0 17.710 0.025 0.000 0.00 0.00 H+0 HETATM 149 H UNK 0 16.717 -0.696 0.000 0.00 0.00 H+0 HETATM 150 H UNK 0 39.082 -13.906 0.000 0.00 0.00 H+0 HETATM 151 H UNK 0 40.415 -14.117 0.000 0.00 0.00 H+0 HETATM 152 H UNK 0 40.627 -12.783 0.000 0.00 0.00 H+0 HETATM 153 H UNK 0 38.697 12.395 0.000 0.00 0.00 H+0 HETATM 154 H UNK 0 39.547 13.444 0.000 0.00 0.00 H+0 HETATM 155 H UNK 0 38.498 14.294 0.000 0.00 0.00 H+0 CONECT 1 6 8 9 10 CONECT 2 8 11 14 15 CONECT 3 23 24 CONECT 4 21 75 CONECT 5 22 76 CONECT 6 1 25 CONECT 7 27 CONECT 8 1 2 CONECT 9 1 CONECT 10 1 CONECT 11 2 63 CONECT 12 62 64 CONECT 13 65 66 CONECT 14 2 CONECT 15 2 CONECT 16 64 CONECT 17 66 CONECT 18 24 26 27 CONECT 19 27 37 CONECT 20 37 135 136 CONECT 21 4 22 23 69 CONECT 22 5 21 24 70 CONECT 23 3 21 25 71 CONECT 24 3 18 22 72 CONECT 25 6 23 73 74 CONECT 26 18 28 77 CONECT 27 7 18 19 CONECT 28 26 37 78 CONECT 29 30 33 79 80 CONECT 30 29 34 81 82 CONECT 31 32 35 83 84 CONECT 32 31 36 85 86 CONECT 33 29 38 87 88 CONECT 34 30 39 89 90 CONECT 35 31 40 91 92 CONECT 36 32 41 93 94 CONECT 37 19 20 28 CONECT 38 33 42 95 96 CONECT 39 34 43 97 98 CONECT 40 35 44 99 100 CONECT 41 36 45 101 102 CONECT 42 38 46 103 104 CONECT 43 39 47 105 106 CONECT 44 40 48 107 108 CONECT 45 41 49 109 110 CONECT 46 42 50 111 112 CONECT 47 43 52 113 114 CONECT 48 44 51 115 116 CONECT 49 45 53 117 118 CONECT 50 46 54 119 120 CONECT 51 48 55 121 122 CONECT 52 47 56 123 124 CONECT 53 49 57 125 126 CONECT 54 50 58 127 128 CONECT 55 51 59 129 130 CONECT 56 52 60 131 132 CONECT 57 53 61 133 134 CONECT 58 54 64 137 138 CONECT 59 55 66 139 140 CONECT 60 56 67 141 142 CONECT 61 57 68 143 144 CONECT 62 12 63 65 145 CONECT 63 11 62 146 147 CONECT 64 12 16 58 CONECT 65 13 62 148 149 CONECT 66 13 17 59 CONECT 67 60 150 151 152 CONECT 68 61 153 154 155 CONECT 69 21 CONECT 70 22 CONECT 71 23 CONECT 72 24 CONECT 73 25 CONECT 74 25 CONECT 75 4 CONECT 76 5 CONECT 77 26 CONECT 78 28 CONECT 79 29 CONECT 80 29 CONECT 81 30 CONECT 82 30 CONECT 83 31 CONECT 84 31 CONECT 85 32 CONECT 86 32 CONECT 87 33 CONECT 88 33 CONECT 89 34 CONECT 90 34 CONECT 91 35 CONECT 92 35 CONECT 93 36 CONECT 94 36 CONECT 95 38 CONECT 96 38 CONECT 97 39 CONECT 98 39 CONECT 99 40 CONECT 100 40 CONECT 101 41 CONECT 102 41 CONECT 103 42 CONECT 104 42 CONECT 105 43 CONECT 106 43 CONECT 107 44 CONECT 108 44 CONECT 109 45 CONECT 110 45 CONECT 111 46 CONECT 112 46 CONECT 113 47 CONECT 114 47 CONECT 115 48 CONECT 116 48 CONECT 117 49 CONECT 118 49 CONECT 119 50 CONECT 120 50 CONECT 121 51 CONECT 122 51 CONECT 123 52 CONECT 124 52 CONECT 125 53 CONECT 126 53 CONECT 127 54 CONECT 128 54 CONECT 129 55 CONECT 130 55 CONECT 131 56 CONECT 132 56 CONECT 133 57 CONECT 134 57 CONECT 135 20 CONECT 136 20 CONECT 137 58 CONECT 138 58 CONECT 139 59 CONECT 140 59 CONECT 141 60 CONECT 142 60 CONECT 143 61 CONECT 144 61 CONECT 145 62 CONECT 146 63 CONECT 147 63 CONECT 148 65 CONECT 149 65 CONECT 150 67 CONECT 151 67 CONECT 152 67 CONECT 153 68 CONECT 154 68 CONECT 155 68 MASTER 0 0 0 0 0 0 0 0 155 0 312 0 END