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 31.250 -9.650 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 31.250 -8.110 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 32.584 -7.340 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 32.584 -5.800 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 33.917 -5.030 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 33.917 -3.490 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 35.251 -2.721 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 35.251 -1.181 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 36.584 -0.411 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 36.584 1.129 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 37.918 1.899 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 37.918 3.439 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 39.252 4.209 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 39.252 5.749 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 40.585 6.519 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 40.585 8.059 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 39.252 8.829 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 41.919 8.829 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 41.919 10.369 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 40.576 11.144 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 40.310 12.711 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 41.552 13.622 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 41.263 15.334 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 43.023 15.234 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 43.481 13.727 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 39.974 15.773 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 39.766 16.910 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 39.738 18.429 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 38.491 19.448 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 39.502 21.086 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 38.485 22.315 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 36.850 22.531 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 40.674 20.980 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 40.297 22.407 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 41.250 23.557 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 42.755 23.230 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 43.790 24.369 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 45.669 24.355 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 47.214 24.859 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 43.563 25.474 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 44.643 26.709 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 41.816 26.163 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 41.471 27.673 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 39.842 27.957 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 38.851 26.779 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 37.334 27.049 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 36.342 25.871 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 34.827 26.141 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 36.810 28.497 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 35.294 28.767 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 37.802 29.675 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 37.278 31.123 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 39.318 29.405 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 40.136 30.795 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 40.781 25.023 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 40.034 26.401 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 39.089 27.800 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 40.510 28.873 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 37.820 28.498 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 41.921 19.962 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 43.313 19.990 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 44.001 21.632 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 45.016 22.790 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 44.521 24.248 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 45.555 25.583 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 43.010 24.548 0.000 0.00 0.00 C+0 HETATM 67 N UNK 0 43.133 26.470 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 43.674 28.078 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 44.892 29.079 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 43.881 29.694 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 41.995 23.390 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 42.490 21.932 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 40.028 23.698 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 38.857 24.743 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 38.299 23.325 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 36.932 24.277 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 35.673 25.314 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 38.080 21.429 0.000 0.00 0.00 O+0 HETATM 79 C UNK 0 38.950 19.917 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 37.600 19.176 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 37.566 17.636 0.000 0.00 0.00 C+0 HETATM 82 O UNK 0 35.937 17.355 0.000 0.00 0.00 O+0 HETATM 83 C UNK 0 38.883 16.838 0.000 0.00 0.00 C+0 HETATM 84 N UNK 0 37.764 15.619 0.000 0.00 0.00 N+0 HETATM 85 C UNK 0 36.879 13.993 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 35.477 13.260 0.000 0.00 0.00 C+0 HETATM 87 O UNK 0 35.986 12.624 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 40.233 17.578 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 40.266 19.118 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 41.836 16.572 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 42.113 14.880 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 43.575 16.568 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 44.742 15.304 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 45.337 13.798 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 43.707 18.234 0.000 0.00 0.00 O+0 HETATM 96 C UNK 0 44.283 19.801 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 45.056 21.321 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 46.808 20.658 0.000 0.00 0.00 C+0 HETATM 99 O UNK 0 48.318 21.177 0.000 0.00 0.00 O+0 HETATM 100 C UNK 0 47.304 19.200 0.000 0.00 0.00 C+0 HETATM 101 N UNK 0 48.938 19.218 0.000 0.00 0.00 N+0 HETATM 102 C UNK 0 50.436 19.789 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 51.147 21.177 0.000 0.00 0.00 C+0 HETATM 104 O UNK 0 52.007 19.424 0.000 0.00 0.00 O+0 HETATM 105 C UNK 0 46.288 18.042 0.000 0.00 0.00 C+0 HETATM 106 O UNK 0 44.778 18.343 0.000 0.00 0.00 O+0 HETATM 107 C UNK 0 47.273 16.653 0.000 0.00 0.00 C+0 HETATM 108 O UNK 0 47.001 15.109 0.000 0.00 0.00 O+0 HETATM 109 C UNK 0 48.659 15.819 0.000 0.00 0.00 C+0 HETATM 110 O UNK 0 50.193 16.290 0.000 0.00 0.00 O+0 HETATM 111 C UNK 0 49.484 14.406 0.000 0.00 0.00 C+0 HETATM 112 O UNK 0 50.807 13.482 0.000 0.00 0.00 O+0 HETATM 113 C UNK 0 43.204 21.015 0.000 0.00 0.00 C+0 HETATM 114 O UNK 0 41.674 21.229 0.000 0.00 0.00 O+0 HETATM 115 O UNK 0 43.724 22.610 0.000 0.00 0.00 O+0 HETATM 116 C UNK 0 37.068 20.312 0.000 0.00 0.00 C+0 HETATM 117 O UNK 0 35.549 20.013 0.000 0.00 0.00 O+0 HETATM 118 O UNK 0 35.440 20.558 0.000 0.00 0.00 O+0 HETATM 119 C UNK 0 45.917 21.830 0.000 0.00 0.00 C+0 HETATM 120 O UNK 0 47.285 22.664 0.000 0.00 0.00 O+0 HETATM 121 O UNK 0 45.794 20.144 0.000 0.00 0.00 O+0 HETATM 122 C UNK 0 41.272 18.566 0.000 0.00 0.00 C+0 HETATM 123 O UNK 0 42.503 17.784 0.000 0.00 0.00 O+0 HETATM 124 C UNK 0 38.733 14.862 0.000 0.00 0.00 C+0 HETATM 125 O UNK 0 36.960 15.074 0.000 0.00 0.00 O+0 HETATM 126 C UNK 0 38.900 13.331 0.000 0.00 0.00 C+0 HETATM 127 O UNK 0 38.138 11.868 0.000 0.00 0.00 O+0 HETATM 128 N UNK 0 43.253 8.059 0.000 0.00 0.00 N+0 HETATM 129 C UNK 0 43.253 6.519 0.000 0.00 0.00 C+0 HETATM 130 O UNK 0 41.919 5.749 0.000 0.00 0.00 O+0 HETATM 131 C UNK 0 44.586 5.749 0.000 0.00 0.00 C+0 HETATM 132 C UNK 0 44.586 4.209 0.000 0.00 0.00 C+0 HETATM 133 C UNK 0 45.920 3.439 0.000 0.00 0.00 C+0 HETATM 134 C UNK 0 45.920 1.899 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 47.253 1.129 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 47.253 -0.411 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 48.587 -1.181 0.000 0.00 0.00 C+0 HETATM 138 C UNK 0 48.587 -2.721 0.000 0.00 0.00 C+0 HETATM 139 C UNK 0 49.921 -3.490 0.000 0.00 0.00 C+0 HETATM 140 C UNK 0 49.921 -5.030 0.000 0.00 0.00 C+0 HETATM 141 C UNK 0 51.254 -5.800 0.000 0.00 0.00 C+0 HETATM 142 C UNK 0 51.254 -7.340 0.000 0.00 0.00 C+0 HETATM 143 C UNK 0 52.588 -8.110 0.000 0.00 0.00 C+0 HETATM 144 C UNK 0 52.588 -9.650 0.000 0.00 0.00 C+0 HETATM 145 C UNK 0 53.922 -10.420 0.000 0.00 0.00 C+0 HETATM 146 C UNK 0 53.922 -11.960 0.000 0.00 0.00 C+0 HETATM 147 C UNK 0 55.255 -12.730 0.000 0.00 0.00 C+0 HETATM 148 C UNK 0 56.589 -11.960 0.000 0.00 0.00 C+0 HETATM 149 C UNK 0 57.922 -12.730 0.000 0.00 0.00 C+0 HETATM 150 C UNK 0 59.256 -11.960 0.000 0.00 0.00 C+0 HETATM 151 C UNK 0 60.590 -12.730 0.000 0.00 0.00 C+0 HETATM 152 C UNK 0 61.923 -11.960 0.000 0.00 0.00 C+0 HETATM 153 C UNK 0 63.257 -12.730 0.000 0.00 0.00 C+0 HETATM 154 H UNK 0 39.397 7.129 0.000 0.00 0.00 H+0 HETATM 155 H UNK 0 43.371 9.120 0.000 0.00 0.00 H+0 HETATM 156 H UNK 0 41.685 12.102 0.000 0.00 0.00 H+0 HETATM 157 H UNK 0 41.505 17.317 0.000 0.00 0.00 H+0 HETATM 158 H UNK 0 37.513 16.202 0.000 0.00 0.00 H+0 HETATM 159 H UNK 0 38.464 17.905 0.000 0.00 0.00 H+0 HETATM 160 H UNK 0 39.138 22.482 0.000 0.00 0.00 H+0 HETATM 161 H UNK 0 41.506 21.956 0.000 0.00 0.00 H+0 HETATM 162 H UNK 0 41.223 20.881 0.000 0.00 0.00 H+0 HETATM 163 H UNK 0 44.740 25.470 0.000 0.00 0.00 H+0 HETATM 164 H UNK 0 45.328 27.098 0.000 0.00 0.00 H+0 HETATM 165 H UNK 0 40.590 27.548 0.000 0.00 0.00 H+0 HETATM 166 H UNK 0 40.937 26.585 0.000 0.00 0.00 H+0 HETATM 167 H UNK 0 35.654 27.807 0.000 0.00 0.00 H+0 HETATM 168 H UNK 0 36.019 30.245 0.000 0.00 0.00 H+0 HETATM 169 H UNK 0 38.166 31.490 0.000 0.00 0.00 H+0 HETATM 170 H UNK 0 41.131 30.342 0.000 0.00 0.00 H+0 HETATM 171 H UNK 0 39.346 25.976 0.000 0.00 0.00 H+0 HETATM 172 H UNK 0 43.286 18.929 0.000 0.00 0.00 H+0 HETATM 173 H UNK 0 45.505 26.265 0.000 0.00 0.00 H+0 HETATM 174 H UNK 0 41.553 24.484 0.000 0.00 0.00 H+0 HETATM 175 H UNK 0 38.795 25.460 0.000 0.00 0.00 H+0 HETATM 176 H UNK 0 36.323 22.131 0.000 0.00 0.00 H+0 HETATM 177 H UNK 0 35.519 16.579 0.000 0.00 0.00 H+0 HETATM 178 H UNK 0 39.297 15.333 0.000 0.00 0.00 H+0 HETATM 179 H UNK 0 41.859 15.666 0.000 0.00 0.00 H+0 HETATM 180 H UNK 0 46.147 17.236 0.000 0.00 0.00 H+0 HETATM 181 H UNK 0 48.094 20.002 0.000 0.00 0.00 H+0 HETATM 182 H UNK 0 48.190 17.358 0.000 0.00 0.00 H+0 HETATM 183 H UNK 0 46.333 15.422 0.000 0.00 0.00 H+0 HETATM 184 H UNK 0 48.891 16.850 0.000 0.00 0.00 H+0 HETATM 185 H UNK 0 41.040 16.338 0.000 0.00 0.00 H+0 HETATM 186 H UNK 0 37.829 13.468 0.000 0.00 0.00 H+0 HETATM 187 H UNK 0 39.076 11.523 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 18 154 CONECT 17 16 CONECT 18 16 19 128 155 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 126 156 CONECT 22 21 23 CONECT 23 22 24 26 157 CONECT 24 23 25 CONECT 25 24 CONECT 26 23 27 124 158 CONECT 27 26 28 CONECT 28 27 29 122 159 CONECT 29 28 30 CONECT 30 29 31 33 160 CONECT 31 30 32 CONECT 32 31 CONECT 33 30 34 60 161 CONECT 34 33 35 CONECT 35 34 36 55 162 CONECT 36 35 37 CONECT 37 36 38 40 163 CONECT 38 37 39 CONECT 39 38 CONECT 40 37 41 42 164 CONECT 41 40 CONECT 42 40 43 55 165 CONECT 43 42 44 CONECT 44 43 45 53 166 CONECT 45 44 46 CONECT 46 45 47 49 167 CONECT 47 46 48 CONECT 48 47 CONECT 49 46 50 51 168 CONECT 50 49 CONECT 51 49 52 53 169 CONECT 52 51 CONECT 53 51 44 54 170 CONECT 54 53 CONECT 55 42 35 56 171 CONECT 56 55 57 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 CONECT 60 33 61 122 172 CONECT 61 60 62 CONECT 62 61 63 72 119 CONECT 63 62 64 CONECT 64 63 65 66 173 CONECT 65 64 CONECT 66 64 67 71 174 CONECT 67 66 68 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 CONECT 71 66 72 73 CONECT 72 71 62 CONECT 73 71 74 75 175 CONECT 74 73 CONECT 75 73 76 78 176 CONECT 76 75 77 CONECT 77 76 CONECT 78 75 79 CONECT 79 78 80 89 116 CONECT 80 79 81 CONECT 81 80 82 83 177 CONECT 82 81 CONECT 83 81 84 88 178 CONECT 84 83 85 CONECT 85 84 86 87 CONECT 86 85 CONECT 87 85 CONECT 88 83 89 90 CONECT 89 88 79 CONECT 90 88 91 92 179 CONECT 91 90 CONECT 92 90 93 95 180 CONECT 93 92 94 CONECT 94 93 CONECT 95 92 96 CONECT 96 95 97 106 113 CONECT 97 96 98 CONECT 98 97 99 100 181 CONECT 99 98 CONECT 100 98 101 105 182 CONECT 101 100 102 CONECT 102 101 103 104 CONECT 103 102 CONECT 104 102 CONECT 105 100 106 107 CONECT 106 105 96 CONECT 107 105 108 109 183 CONECT 108 107 CONECT 109 107 110 111 184 CONECT 110 109 CONECT 111 109 112 CONECT 112 111 CONECT 113 96 114 115 CONECT 114 113 CONECT 115 113 CONECT 116 79 117 118 CONECT 117 116 CONECT 118 116 CONECT 119 62 120 121 CONECT 120 119 CONECT 121 119 CONECT 122 60 28 123 185 CONECT 123 122 CONECT 124 26 125 126 186 CONECT 125 124 CONECT 126 124 21 127 187 CONECT 127 126 CONECT 128 18 129 CONECT 129 128 130 131 CONECT 130 129 CONECT 131 129 132 CONECT 132 131 133 CONECT 133 132 134 CONECT 134 133 135 CONECT 135 134 136 CONECT 136 135 137 CONECT 137 136 138 CONECT 138 137 139 CONECT 139 138 140 CONECT 140 139 141 CONECT 141 140 142 CONECT 142 141 143 CONECT 143 142 144 CONECT 144 143 145 CONECT 145 144 146 CONECT 146 145 147 CONECT 147 146 148 CONECT 148 147 149 CONECT 149 148 150 CONECT 150 149 151 CONECT 151 150 152 CONECT 152 151 153 CONECT 153 152 CONECT 154 16 CONECT 155 18 CONECT 156 21 CONECT 157 23 CONECT 158 26 CONECT 159 28 CONECT 160 30 CONECT 161 33 CONECT 162 35 CONECT 163 37 CONECT 164 40 CONECT 165 42 CONECT 166 44 CONECT 167 46 CONECT 168 49 CONECT 169 51 CONECT 170 53 CONECT 171 55 CONECT 172 60 CONECT 173 64 CONECT 174 66 CONECT 175 73 CONECT 176 75 CONECT 177 81 CONECT 178 83 CONECT 179 90 CONECT 180 92 CONECT 181 98 CONECT 182 100 CONECT 183 107 CONECT 184 109 CONECT 185 122 CONECT 186 124 CONECT 187 126 MASTER 0 0 0 0 0 0 0 0 187 0 386 0 END