HEADER PROTEIN 25-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 25-FEB-12 0 HETATM 1 C UNK 0 -3.668 23.246 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.001 22.476 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.001 20.936 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.335 20.166 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.335 18.626 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -7.669 17.856 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -7.669 16.316 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -9.002 15.546 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -9.002 14.006 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -10.336 13.236 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -10.336 11.696 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -11.670 10.926 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -11.670 9.386 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -10.336 8.616 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -10.336 7.076 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -9.002 6.306 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -7.669 7.076 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -9.002 4.766 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -10.336 3.996 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -11.670 4.766 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 -13.003 3.996 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -13.003 2.456 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -14.337 1.686 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -14.337 0.146 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -13.003 -0.624 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -15.671 2.456 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -17.004 1.686 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -18.338 2.456 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -18.338 3.996 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -19.672 4.766 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -19.672 6.306 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -18.338 7.076 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -21.005 3.996 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -22.339 4.766 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 -22.339 6.306 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -21.005 7.076 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -21.005 8.616 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -19.672 9.386 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -19.672 10.926 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -22.339 9.386 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -22.339 10.926 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -23.673 8.616 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -25.006 9.386 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -25.006 10.926 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -23.673 11.696 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 -23.673 13.236 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -22.339 14.006 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -22.339 15.546 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 -25.006 14.006 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 -25.006 15.546 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 -26.340 13.236 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -27.674 14.006 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -27.674 15.546 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -28.200 16.993 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -27.211 18.173 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 -27.737 19.620 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 -25.694 17.906 0.000 0.00 0.00 C+0 HETATM 58 N UNK 0 -24.704 19.085 0.000 0.00 0.00 N+0 HETATM 59 C UNK 0 -25.231 20.532 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -26.747 20.800 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 -24.241 21.712 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 -25.167 16.458 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -26.157 15.279 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 -23.651 16.191 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 -23.124 14.744 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 -22.661 17.371 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 -23.188 18.818 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 -21.144 17.103 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 -20.618 15.656 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 -29.190 15.279 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 -30.180 16.458 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 -29.717 13.832 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 -26.340 11.696 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 -27.674 10.926 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 -23.673 7.076 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -25.006 6.306 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -26.340 7.076 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -26.340 8.616 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 -27.674 6.306 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 -21.005 2.456 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 -22.339 1.686 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 -22.339 0.146 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -20.822 0.414 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 -19.833 -0.766 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 -18.316 -0.499 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 -20.359 -2.213 0.000 0.00 0.00 C+0 HETATM 87 N UNK 0 -19.369 -3.393 0.000 0.00 0.00 N+0 HETATM 88 C UNK 0 -17.853 -3.126 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 -17.326 -1.678 0.000 0.00 0.00 C+0 HETATM 90 O UNK 0 -16.863 -4.305 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 -21.876 -2.481 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 -22.866 -1.301 0.000 0.00 0.00 O+0 HETATM 93 C UNK 0 -22.403 -3.928 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 -21.413 -5.108 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 -23.919 -4.195 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 -24.909 -3.015 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 -24.446 -5.642 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 -25.963 -5.910 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -23.856 0.414 0.000 0.00 0.00 C+0 HETATM 100 O UNK 0 -24.846 -0.766 0.000 0.00 0.00 O+0 HETATM 101 O UNK 0 -24.382 1.861 0.000 0.00 0.00 O+0 HETATM 102 C UNK 0 -19.672 1.686 0.000 0.00 0.00 C+0 HETATM 103 O UNK 0 -19.672 0.146 0.000 0.00 0.00 O+0 HETATM 104 C UNK 0 -15.671 3.996 0.000 0.00 0.00 C+0 HETATM 105 O UNK 0 -17.004 4.766 0.000 0.00 0.00 O+0 HETATM 106 C UNK 0 -14.337 4.766 0.000 0.00 0.00 C+0 HETATM 107 O UNK 0 -14.337 6.306 0.000 0.00 0.00 O+0 HETATM 108 N UNK 0 -7.669 3.996 0.000 0.00 0.00 N+0 HETATM 109 C UNK 0 -6.335 4.766 0.000 0.00 0.00 C+0 HETATM 110 O UNK 0 -6.335 6.306 0.000 0.00 0.00 O+0 HETATM 111 C UNK 0 -5.001 3.996 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 -3.668 4.766 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 -2.334 3.996 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 -1.000 4.766 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 0.333 3.996 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 1.667 4.766 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 3.001 3.996 0.000 0.00 0.00 C+0 HETATM 118 C UNK 0 4.335 4.766 0.000 0.00 0.00 C+0 HETATM 119 C UNK 0 5.668 3.996 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 7.002 4.766 0.000 0.00 0.00 C+0 HETATM 121 C UNK 0 8.336 3.996 0.000 0.00 0.00 C+0 HETATM 122 C UNK 0 9.669 4.766 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 11.003 3.996 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 12.337 4.766 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 13.670 3.996 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 13.670 2.456 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 15.004 1.686 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 15.004 0.146 0.000 0.00 0.00 C+0 HETATM 129 C UNK 0 16.338 -0.624 0.000 0.00 0.00 C+0 HETATM 130 C UNK 0 16.338 -2.164 0.000 0.00 0.00 C+0 HETATM 131 C UNK 0 17.671 -2.934 0.000 0.00 0.00 C+0 HETATM 132 H UNK 0 -9.002 7.846 0.000 0.00 0.00 H+0 HETATM 133 H UNK 0 -9.002 3.226 0.000 0.00 0.00 H+0 HETATM 134 H UNK 0 -11.487 3.729 0.000 0.00 0.00 H+0 HETATM 135 H UNK 0 -15.327 0.506 0.000 0.00 0.00 H+0 HETATM 136 H UNK 0 -17.341 2.570 0.000 0.00 0.00 H+0 HETATM 137 H UNK 0 -16.821 2.724 0.000 0.00 0.00 H+0 HETATM 138 H UNK 0 -20.662 5.946 0.000 0.00 0.00 H+0 HETATM 139 H UNK 0 -22.522 3.729 0.000 0.00 0.00 H+0 HETATM 140 H UNK 0 -21.349 5.126 0.000 0.00 0.00 H+0 HETATM 141 H UNK 0 -20.479 10.063 0.000 0.00 0.00 H+0 HETATM 142 H UNK 0 -23.329 10.566 0.000 0.00 0.00 H+0 HETATM 143 H UNK 0 -25.343 8.195 0.000 0.00 0.00 H+0 HETATM 144 H UNK 0 -24.017 9.746 0.000 0.00 0.00 H+0 HETATM 145 H UNK 0 -23.608 14.221 0.000 0.00 0.00 H+0 HETATM 146 H UNK 0 -25.688 14.878 0.000 0.00 0.00 H+0 HETATM 147 H UNK 0 -27.857 12.969 0.000 0.00 0.00 H+0 HETATM 148 H UNK 0 -26.530 19.774 0.000 0.00 0.00 H+0 HETATM 149 H UNK 0 -24.177 18.173 0.000 0.00 0.00 H+0 HETATM 150 H UNK 0 -24.641 15.011 0.000 0.00 0.00 H+0 HETATM 151 H UNK 0 -24.177 17.638 0.000 0.00 0.00 H+0 HETATM 152 H UNK 0 -26.755 10.468 0.000 0.00 0.00 H+0 HETATM 153 H UNK 0 -23.780 5.540 0.000 0.00 0.00 H+0 HETATM 154 H UNK 0 -21.532 1.009 0.000 0.00 0.00 H+0 HETATM 155 H UNK 0 -18.345 -1.690 0.000 0.00 0.00 H+0 HETATM 156 H UNK 0 -20.359 -3.753 0.000 0.00 0.00 H+0 HETATM 157 H UNK 0 -20.886 -3.661 0.000 0.00 0.00 H+0 HETATM 158 H UNK 0 -23.393 -2.748 0.000 0.00 0.00 H+0 HETATM 159 H UNK 0 -18.395 0.825 0.000 0.00 0.00 H+0 HETATM 160 H UNK 0 -16.197 5.443 0.000 0.00 0.00 H+0 HETATM 161 H UNK 0 -13.060 5.627 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 18 132 CONECT 17 16 CONECT 18 16 19 108 133 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 106 134 CONECT 22 21 23 CONECT 23 22 24 26 135 CONECT 24 23 25 CONECT 25 24 CONECT 26 23 27 104 136 CONECT 27 26 28 CONECT 28 27 29 102 137 CONECT 29 28 30 CONECT 30 29 31 33 138 CONECT 31 30 32 CONECT 32 31 CONECT 33 30 34 80 139 CONECT 34 33 35 CONECT 35 34 36 75 140 CONECT 36 35 37 CONECT 37 36 38 40 141 CONECT 38 37 39 CONECT 39 38 CONECT 40 37 41 42 142 CONECT 41 40 CONECT 42 40 43 75 143 CONECT 43 42 44 CONECT 44 43 45 73 144 CONECT 45 44 46 CONECT 46 45 47 49 145 CONECT 47 46 48 CONECT 48 47 CONECT 49 46 50 51 146 CONECT 50 49 CONECT 51 49 52 73 147 CONECT 52 51 53 CONECT 53 52 54 63 70 CONECT 54 53 55 CONECT 55 54 56 57 148 CONECT 56 55 CONECT 57 55 58 62 149 CONECT 58 57 59 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 CONECT 62 57 63 64 CONECT 63 62 53 CONECT 64 62 65 66 150 CONECT 65 64 CONECT 66 64 67 68 151 CONECT 67 66 CONECT 68 66 69 CONECT 69 68 CONECT 70 53 71 72 CONECT 71 70 CONECT 72 70 CONECT 73 51 44 74 152 CONECT 74 73 CONECT 75 42 35 76 153 CONECT 76 75 77 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 CONECT 80 33 81 102 154 CONECT 81 80 82 CONECT 82 81 83 92 99 CONECT 83 82 84 CONECT 84 83 85 86 155 CONECT 85 84 CONECT 86 84 87 91 156 CONECT 87 86 88 CONECT 88 87 89 90 CONECT 89 88 CONECT 90 88 CONECT 91 86 92 93 CONECT 92 91 82 CONECT 93 91 94 95 157 CONECT 94 93 CONECT 95 93 96 97 158 CONECT 96 95 CONECT 97 95 98 CONECT 98 97 CONECT 99 82 100 101 CONECT 100 99 CONECT 101 99 CONECT 102 80 28 103 159 CONECT 103 102 CONECT 104 26 105 106 160 CONECT 105 104 CONECT 106 104 21 107 161 CONECT 107 106 CONECT 108 18 109 CONECT 109 108 110 111 CONECT 110 109 CONECT 111 109 112 CONECT 112 111 113 CONECT 113 112 114 CONECT 114 113 115 CONECT 115 114 116 CONECT 116 115 117 CONECT 117 116 118 CONECT 118 117 119 CONECT 119 118 120 CONECT 120 119 121 CONECT 121 120 122 CONECT 122 121 123 CONECT 123 122 124 CONECT 124 123 125 CONECT 125 124 126 CONECT 126 125 127 CONECT 127 126 128 CONECT 128 127 129 CONECT 129 128 130 CONECT 130 129 131 CONECT 131 130 CONECT 132 16 CONECT 133 18 CONECT 134 21 CONECT 135 23 CONECT 136 26 CONECT 137 28 CONECT 138 30 CONECT 139 33 CONECT 140 35 CONECT 141 37 CONECT 142 40 CONECT 143 42 CONECT 144 44 CONECT 145 46 CONECT 146 49 CONECT 147 51 CONECT 148 55 CONECT 149 57 CONECT 150 64 CONECT 151 66 CONECT 152 73 CONECT 153 75 CONECT 154 80 CONECT 155 84 CONECT 156 86 CONECT 157 93 CONECT 158 95 CONECT 159 102 CONECT 160 104 CONECT 161 106 MASTER 0 0 0 0 0 0 0 0 161 0 332 0 END