HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 12.571 -18.661 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 13.889 -18.299 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 13.255 -16.861 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 14.991 -19.705 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 13.682 -20.513 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 11.959 -20.470 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 10.532 -19.615 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 10.844 -17.864 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 11.647 -16.352 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 12.821 -15.334 0.000 0.00 0.00 O+0 HETATM 11 N UNK 0 11.956 -17.766 0.000 0.00 0.00 N+0 HETATM 12 C UNK 0 11.404 -19.322 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 9.970 -18.657 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 8.860 -19.842 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 8.716 -21.260 0.000 0.00 0.00 N+0 HETATM 16 O UNK 0 7.862 -18.494 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 10.527 -20.942 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 10.526 -22.540 0.000 0.00 0.00 O+0 HETATM 19 N UNK 0 9.482 -22.168 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 8.757 -23.553 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 7.246 -23.848 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 6.499 -22.501 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 7.549 -21.374 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 7.775 -22.773 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 7.651 -19.692 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 8.997 -18.945 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 9.024 -17.405 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 7.837 -16.309 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 10.370 -16.658 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 9.155 -15.550 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 10.397 -15.119 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 11.743 -14.371 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 13.218 -13.764 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 11.770 -12.832 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 10.286 -12.146 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 8.722 -11.747 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 7.408 -12.602 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 7.721 -10.528 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 13.117 -12.085 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 13.143 -10.545 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 11.950 -9.527 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 14.489 -9.798 0.000 0.00 0.00 C+0 HETATM 43 N UNK 0 14.516 -8.258 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 15.863 -7.511 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 17.389 -7.731 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 15.889 -5.971 0.000 0.00 0.00 C+0 HETATM 47 N UNK 0 17.236 -5.224 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 17.262 -3.684 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 15.893 -3.141 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 18.609 -2.937 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 18.635 -1.398 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 19.982 -0.651 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 20.779 -1.951 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 20.008 0.889 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 21.355 1.636 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 22.675 0.843 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 22.228 -0.598 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 24.022 1.590 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 24.365 3.144 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 25.015 4.563 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 25.910 5.836 0.000 0.00 0.00 C+0 HETATM 62 N UNK 0 27.129 6.801 0.000 0.00 0.00 N+0 HETATM 63 N UNK 0 25.342 0.798 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 25.316 -0.742 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 26.905 -0.598 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 23.969 -1.489 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 25.373 -2.273 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 25.263 -3.822 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 26.583 -4.614 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 26.557 -6.154 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 25.210 -6.901 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 24.048 -6.742 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 23.916 -4.569 0.000 0.00 0.00 C+0 HETATM 74 N UNK 0 23.943 -3.029 0.000 0.00 0.00 N+0 HETATM 75 C UNK 0 22.596 -3.776 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 21.034 -3.855 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 22.569 -5.316 0.000 0.00 0.00 C+0 HETATM 78 N UNK 0 21.223 -6.063 0.000 0.00 0.00 N+0 HETATM 79 C UNK 0 21.197 -7.603 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 22.447 -6.875 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 19.850 -8.350 0.000 0.00 0.00 C+0 HETATM 82 N UNK 0 19.823 -9.889 0.000 0.00 0.00 N+0 HETATM 83 C UNK 0 18.477 -10.636 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 16.939 -10.431 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 18.450 -12.176 0.000 0.00 0.00 C+0 HETATM 86 N UNK 0 17.104 -12.923 0.000 0.00 0.00 N+0 HETATM 87 C UNK 0 17.077 -14.463 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 18.422 -15.114 0.000 0.00 0.00 O+0 HETATM 89 C UNK 0 15.731 -15.210 0.000 0.00 0.00 C+0 HETATM 90 N UNK 0 15.704 -16.750 0.000 0.00 0.00 N+0 HETATM 91 C UNK 0 14.358 -17.497 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 14.439 -15.912 0.000 0.00 0.00 O+0 HETATM 93 C UNK 0 14.331 -19.037 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 16.116 -19.258 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 17.495 -20.112 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 18.834 -20.929 0.000 0.00 0.00 C+0 HETATM 97 N UNK 0 19.949 -22.011 0.000 0.00 0.00 N+0 HETATM 98 N UNK 0 12.985 -19.784 0.000 0.00 0.00 N+0 HETATM 99 C UNK 0 12.958 -21.323 0.000 0.00 0.00 C+0 HETATM 100 O UNK 0 14.723 -21.171 0.000 0.00 0.00 O+0 HETATM 101 C UNK 0 11.612 -22.070 0.000 0.00 0.00 C+0 HETATM 102 N UNK 0 11.585 -23.610 0.000 0.00 0.00 N+0 HETATM 103 C UNK 0 10.238 -24.357 0.000 0.00 0.00 C+0 HETATM 104 O UNK 0 10.268 -25.945 0.000 0.00 0.00 O+0 HETATM 105 C UNK 0 12.932 -22.863 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 14.279 -22.116 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 15.599 -22.909 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 15.572 -24.449 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 16.717 -25.523 0.000 0.00 0.00 O+0 HETATM 110 C UNK 0 14.226 -25.196 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 12.905 -24.403 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 17.113 -16.253 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 18.639 -16.798 0.000 0.00 0.00 C+0 HETATM 114 O UNK 0 17.540 -17.782 0.000 0.00 0.00 O+0 HETATM 115 C UNK 0 19.771 -12.969 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 21.117 -12.222 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 22.438 -13.015 0.000 0.00 0.00 C+0 HETATM 118 C UNK 0 22.411 -14.554 0.000 0.00 0.00 C+0 HETATM 119 O UNK 0 23.513 -15.678 0.000 0.00 0.00 O+0 HETATM 120 C UNK 0 21.065 -15.301 0.000 0.00 0.00 C+0 HETATM 121 C UNK 0 19.744 -14.509 0.000 0.00 0.00 C+0 HETATM 122 C UNK 0 21.170 -9.142 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 22.517 -8.395 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 23.837 -9.188 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 23.811 -10.728 0.000 0.00 0.00 C+0 HETATM 126 O UNK 0 25.243 -11.398 0.000 0.00 0.00 O+0 HETATM 127 C UNK 0 22.464 -11.475 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 21.144 -10.682 0.000 0.00 0.00 C+0 HETATM 129 C UNK 0 24.005 -5.884 0.000 0.00 0.00 C+0 HETATM 130 C UNK 0 24.328 -7.705 0.000 0.00 0.00 C+0 HETATM 131 O UNK 0 25.412 -5.347 0.000 0.00 0.00 O+0 HETATM 132 C UNK 0 18.688 1.682 0.000 0.00 0.00 C+0 HETATM 133 C UNK 0 17.341 0.935 0.000 0.00 0.00 C+0 HETATM 134 C UNK 0 16.021 1.728 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 16.047 3.267 0.000 0.00 0.00 C+0 HETATM 136 O UNK 0 14.685 4.032 0.000 0.00 0.00 O+0 HETATM 137 C UNK 0 14.753 5.600 0.000 0.00 0.00 C+0 HETATM 138 O UNK 0 16.139 6.271 0.000 0.00 0.00 O+0 HETATM 139 C UNK 0 16.251 7.807 0.000 0.00 0.00 C+0 HETATM 140 C UNK 0 17.627 8.607 0.000 0.00 0.00 C+0 HETATM 141 O UNK 0 18.549 9.864 0.000 0.00 0.00 O+0 HETATM 142 C UNK 0 14.976 8.672 0.000 0.00 0.00 C+0 HETATM 143 O UNK 0 15.162 10.243 0.000 0.00 0.00 O+0 HETATM 144 C UNK 0 13.590 8.000 0.000 0.00 0.00 C+0 HETATM 145 O UNK 0 12.956 9.447 0.000 0.00 0.00 O+0 HETATM 146 C UNK 0 13.479 6.464 0.000 0.00 0.00 C+0 HETATM 147 O UNK 0 12.060 5.809 0.000 0.00 0.00 O+0 HETATM 148 C UNK 0 10.798 6.741 0.000 0.00 0.00 C+0 HETATM 149 O UNK 0 10.965 8.272 0.000 0.00 0.00 O+0 HETATM 150 C UNK 0 9.723 9.182 0.000 0.00 0.00 C+0 HETATM 151 C UNK 0 9.716 10.771 0.000 0.00 0.00 C+0 HETATM 152 O UNK 0 8.878 12.082 0.000 0.00 0.00 O+0 HETATM 153 C UNK 0 8.313 8.561 0.000 0.00 0.00 C+0 HETATM 154 O UNK 0 6.937 9.334 0.000 0.00 0.00 O+0 HETATM 155 C UNK 0 8.146 7.031 0.000 0.00 0.00 C+0 HETATM 156 O UNK 0 6.710 6.378 0.000 0.00 0.00 O+0 HETATM 157 C UNK 0 9.388 6.120 0.000 0.00 0.00 C+0 HETATM 158 O UNK 0 9.216 4.553 0.000 0.00 0.00 O+0 HETATM 159 C UNK 0 17.394 4.014 0.000 0.00 0.00 C+0 HETATM 160 C UNK 0 18.714 3.222 0.000 0.00 0.00 C+0 HETATM 161 C UNK 0 17.218 -1.988 0.000 0.00 0.00 C+0 HETATM 162 C UNK 0 15.671 -1.515 0.000 0.00 0.00 C+0 HETATM 163 O UNK 0 16.704 -0.520 0.000 0.00 0.00 O+0 HETATM 164 C UNK 0 14.569 -5.179 0.000 0.00 0.00 C+0 HETATM 165 C UNK 0 13.222 -5.926 0.000 0.00 0.00 C+0 HETATM 166 C UNK 0 11.902 -5.133 0.000 0.00 0.00 C+0 HETATM 167 C UNK 0 11.928 -3.593 0.000 0.00 0.00 C+0 HETATM 168 O UNK 0 10.766 -2.538 0.000 0.00 0.00 O+0 HETATM 169 C UNK 0 13.275 -2.846 0.000 0.00 0.00 C+0 HETATM 170 C UNK 0 14.595 -3.639 0.000 0.00 0.00 C+0 HETATM 171 C UNK 0 6.348 -18.871 0.000 0.00 0.00 C+0 HETATM 172 C UNK 0 4.985 -19.589 0.000 0.00 0.00 C+0 HETATM 173 C UNK 0 3.683 -18.767 0.000 0.00 0.00 C+0 HETATM 174 Cl UNK 0 2.295 -19.507 0.000 0.00 0.00 Cl+0 HETATM 175 C UNK 0 3.742 -17.229 0.000 0.00 0.00 C+0 HETATM 176 O UNK 0 2.672 -16.073 0.000 0.00 0.00 O+0 HETATM 177 C UNK 0 5.105 -16.511 0.000 0.00 0.00 C+0 HETATM 178 C UNK 0 6.408 -17.332 0.000 0.00 0.00 C+0 HETATM 179 C UNK 0 6.352 -25.215 0.000 0.00 0.00 C+0 HETATM 180 N UNK 0 4.821 -25.550 0.000 0.00 0.00 N+0 HETATM 181 O UNK 0 6.636 -26.767 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 13 17 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 CONECT 17 12 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 103 CONECT 21 20 22 179 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 171 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 29 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 39 CONECT 35 34 36 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 CONECT 39 34 40 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 CONECT 43 42 44 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 164 CONECT 47 46 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 161 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 132 CONECT 55 54 56 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 63 CONECT 59 58 60 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 CONECT 63 58 64 CONECT 64 63 65 66 CONECT 65 64 CONECT 66 64 67 74 CONECT 67 66 68 CONECT 68 67 69 73 CONECT 69 68 70 CONECT 70 69 71 CONECT 71 70 72 CONECT 72 71 73 CONECT 73 72 68 CONECT 74 66 75 CONECT 75 74 76 77 CONECT 76 75 CONECT 77 75 78 129 CONECT 78 77 79 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 82 122 CONECT 82 81 83 CONECT 83 82 84 85 CONECT 84 83 CONECT 85 83 86 115 CONECT 86 85 87 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 90 112 CONECT 90 89 91 CONECT 91 90 92 93 CONECT 92 91 CONECT 93 91 94 98 CONECT 94 93 95 CONECT 95 94 96 CONECT 96 95 97 CONECT 97 96 CONECT 98 93 99 CONECT 99 98 100 101 CONECT 100 99 CONECT 101 99 102 105 CONECT 102 101 103 CONECT 103 102 20 104 CONECT 104 103 CONECT 105 101 106 111 CONECT 106 105 107 CONECT 107 106 108 CONECT 108 107 109 110 CONECT 109 108 CONECT 110 108 111 CONECT 111 110 105 CONECT 112 89 113 114 CONECT 113 112 CONECT 114 112 CONECT 115 85 116 121 CONECT 116 115 117 CONECT 117 116 118 CONECT 118 117 119 120 CONECT 119 118 CONECT 120 118 121 CONECT 121 120 115 CONECT 122 81 123 128 CONECT 123 122 124 CONECT 124 123 125 CONECT 125 124 126 127 CONECT 126 125 CONECT 127 125 128 CONECT 128 127 122 CONECT 129 77 130 131 CONECT 130 129 CONECT 131 129 CONECT 132 54 133 160 CONECT 133 132 134 CONECT 134 133 135 CONECT 135 134 136 159 CONECT 136 135 137 CONECT 137 136 138 146 CONECT 138 137 139 CONECT 139 138 140 142 CONECT 140 139 141 CONECT 141 140 CONECT 142 139 143 144 CONECT 143 142 CONECT 144 142 145 146 CONECT 145 144 CONECT 146 144 137 147 CONECT 147 146 148 CONECT 148 147 149 157 CONECT 149 148 150 CONECT 150 149 151 153 CONECT 151 150 152 CONECT 152 151 CONECT 153 150 154 155 CONECT 154 153 CONECT 155 153 156 157 CONECT 156 155 CONECT 157 155 148 158 CONECT 158 157 CONECT 159 135 160 CONECT 160 159 132 CONECT 161 50 162 163 CONECT 162 161 CONECT 163 161 CONECT 164 46 165 170 CONECT 165 164 166 CONECT 166 165 167 CONECT 167 166 168 169 CONECT 168 167 CONECT 169 167 170 CONECT 170 169 164 CONECT 171 25 172 178 CONECT 172 171 173 CONECT 173 172 174 175 CONECT 174 173 CONECT 175 173 176 177 CONECT 176 175 CONECT 177 175 178 CONECT 178 177 171 CONECT 179 21 180 181 CONECT 180 179 CONECT 181 179 MASTER 0 0 0 0 0 0 0 0 181 0 380 0 END