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 5.278 -4.419 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 5.873 -2.958 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 4.927 -1.743 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 3.401 -1.955 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 2.455 -0.740 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 3.061 0.724 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 0.930 -0.953 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.016 0.262 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.541 0.051 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.909 1.501 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.609 1.160 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.348 2.776 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.891 3.387 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 -0.697 4.914 0.000 0.00 0.00 N+0 HETATM 15 O UNK 0 0.335 2.455 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.994 0.487 0.000 0.00 0.00 C+0 HETATM 17 N UNK 0 -3.782 -1.038 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 -2.267 -1.308 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.693 -3.208 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.060 -2.804 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.120 -4.688 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 -3.659 -4.739 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 -4.085 -6.219 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.036 -6.590 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.462 -6.011 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 -7.353 -4.475 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 -8.779 -3.897 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.945 -1.918 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -10.462 -1.586 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -8.220 -0.560 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 -6.704 -0.830 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 -5.979 0.529 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.179 1.793 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -7.047 1.638 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -6.112 2.952 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.574 3.209 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -6.743 4.633 0.000 0.00 0.00 C+0 HETATM 38 N UNK 0 -7.532 6.057 0.000 0.00 0.00 N+0 HETATM 39 O UNK 0 -5.097 4.821 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -8.432 0.965 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -9.986 1.491 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -11.518 0.995 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -12.654 2.034 0.000 0.00 0.00 C+0 HETATM 44 N UNK 0 -14.110 1.567 0.000 0.00 0.00 N+0 HETATM 45 O UNK 0 -12.341 3.588 0.000 0.00 0.00 O+0 HETATM 46 Co UNK 0 -1.015 -3.853 0.000 0.00 0.00 Co+1 HETATM 47 C UNK 0 0.528 -4.534 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 0.410 -6.108 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 -0.858 -6.982 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 -0.417 -8.458 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 1.323 -8.410 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 2.535 -9.450 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 1.633 -7.043 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 3.134 -6.602 0.000 0.00 0.00 O+0 HETATM 55 N UNK 0 -1.288 -9.728 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 -2.827 -9.770 0.000 0.00 0.00 C+0 HETATM 57 N UNK 0 -3.263 -11.247 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 -1.993 -12.117 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -0.688 -11.380 0.000 0.00 0.00 C+0 HETATM 60 N UNK 0 0.651 -11.767 0.000 0.00 0.00 N+0 HETATM 61 C UNK 0 0.853 -13.293 0.000 0.00 0.00 C+0 HETATM 62 N UNK 0 -0.367 -14.232 0.000 0.00 0.00 N+0 HETATM 63 C UNK 0 -1.791 -13.644 0.000 0.00 0.00 C+0 HETATM 64 N UNK 0 -3.011 -14.583 0.000 0.00 0.00 N+0 HETATM 65 N UNK 0 16.422 -8.183 0.000 0.00 0.00 N+0 HETATM 66 C UNK 0 14.883 -8.235 0.000 0.00 0.00 C+0 HETATM 67 N UNK 0 14.359 -6.787 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 12.879 -6.360 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 11.664 -7.307 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 10.389 -6.443 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 9.066 -7.313 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 8.412 -8.719 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 10.815 -4.964 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 9.869 -3.749 0.000 0.00 0.00 O+0 HETATM 75 P UNK 0 8.344 -3.961 0.000 0.00 0.00 P+0 HETATM 76 O UNK 0 8.692 -1.825 0.000 0.00 0.00 O-1 HETATM 77 O UNK 0 8.881 -2.428 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 7.398 -2.746 0.000 0.00 0.00 O+0 HETATM 79 C UNK 0 12.354 -4.912 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 13.045 -3.406 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 15.573 -5.841 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 16.848 -6.704 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 18.233 -6.031 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 18.343 -4.495 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 19.795 -3.884 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 17.068 -3.632 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 17.022 -2.063 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 15.683 -4.305 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 -9.771 -5.074 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 -10.940 -3.974 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 -11.326 -5.643 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 -12.975 -5.691 0.000 0.00 0.00 C+0 HETATM 93 N UNK 0 -13.885 -4.416 0.000 0.00 0.00 N+0 HETATM 94 O UNK 0 -13.750 -7.050 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 -8.957 -6.382 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 -9.219 -7.914 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 -8.624 -9.401 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 -9.614 -10.693 0.000 0.00 0.00 C+0 HETATM 99 N UNK 0 -11.178 -10.520 0.000 0.00 0.00 N+0 HETATM 100 O UNK 0 -8.933 -12.155 0.000 0.00 0.00 O+0 HETATM 101 C UNK 0 -2.810 -7.082 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 -2.434 -8.381 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 -4.094 -8.003 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 -1.595 -6.136 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 -0.092 -7.341 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 0.410 -9.095 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 0.326 -10.625 0.000 0.00 0.00 C+0 HETATM 108 N UNK 0 2.002 -11.337 0.000 0.00 0.00 N+0 HETATM 109 O UNK 0 -1.387 -10.781 0.000 0.00 0.00 O+0 HETATM 110 H UNK 0 6.063 -1.405 0.000 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.515 3.552 0.000 0.00 0.00 H+0 HETATM 112 H UNK 0 -9.038 -0.411 0.000 0.00 0.00 H+0 HETATM 113 H UNK 0 -1.246 -5.095 0.000 0.00 0.00 H+0 HETATM 114 H UNK 0 -0.227 -9.928 0.000 0.00 0.00 H+0 HETATM 115 H UNK 0 3.295 -8.997 0.000 0.00 0.00 H+0 HETATM 116 H UNK 0 2.497 -5.898 0.000 0.00 0.00 H+0 HETATM 117 H UNK 0 13.163 -4.615 0.000 0.00 0.00 H+0 HETATM 118 H UNK 0 9.281 -5.701 0.000 0.00 0.00 H+0 HETATM 119 H UNK 0 12.031 -3.989 0.000 0.00 0.00 H+0 HETATM 120 H UNK 0 13.694 -5.740 0.000 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.759 -7.085 0.000 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.272 -5.502 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 78 110 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 CONECT 9 8 10 11 18 CONECT 10 9 CONECT 11 9 12 16 111 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 CONECT 16 11 17 32 CONECT 17 16 18 46 CONECT 18 17 9 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 104 CONECT 22 21 23 46 CONECT 23 22 24 101 CONECT 24 23 25 CONECT 25 24 26 95 CONECT 26 25 27 46 CONECT 27 26 28 89 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 40 CONECT 31 30 32 46 CONECT 32 31 16 33 34 CONECT 33 32 CONECT 34 32 35 36 40 CONECT 35 34 CONECT 36 34 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 CONECT 40 34 30 41 112 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 CONECT 46 31 17 22 26 CONECT 46 47 65 CONECT 47 46 48 CONECT 48 47 49 53 113 CONECT 49 48 50 CONECT 50 49 51 55 114 CONECT 51 50 52 53 115 CONECT 52 51 CONECT 53 51 48 54 116 CONECT 54 53 CONECT 55 50 56 59 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 63 CONECT 59 58 55 60 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 58 64 CONECT 64 63 CONECT 65 46 66 82 CONECT 66 65 67 CONECT 67 66 68 81 CONECT 68 67 69 79 117 CONECT 69 68 70 CONECT 70 69 71 73 118 CONECT 71 70 72 CONECT 72 71 CONECT 73 70 74 79 119 CONECT 74 73 75 CONECT 75 74 76 77 78 CONECT 76 75 CONECT 77 75 CONECT 78 75 2 CONECT 79 73 68 80 120 CONECT 80 79 CONECT 81 67 82 88 CONECT 82 81 65 83 CONECT 83 82 84 CONECT 84 83 85 86 CONECT 85 84 CONECT 86 84 87 88 CONECT 87 86 CONECT 88 86 81 CONECT 89 27 90 91 95 CONECT 90 89 CONECT 91 89 92 CONECT 92 91 93 94 CONECT 93 92 CONECT 94 92 CONECT 95 89 25 96 121 CONECT 96 95 97 CONECT 97 96 98 CONECT 98 97 99 100 CONECT 99 98 CONECT 100 98 CONECT 101 23 102 103 104 CONECT 102 101 CONECT 103 101 CONECT 104 101 21 105 122 CONECT 105 104 106 CONECT 106 105 107 CONECT 107 106 108 109 CONECT 108 107 CONECT 109 107 CONECT 110 2 CONECT 111 11 CONECT 112 40 CONECT 113 48 CONECT 114 50 CONECT 115 51 CONECT 116 53 CONECT 117 68 CONECT 118 70 CONECT 119 73 CONECT 120 79 CONECT 121 95 CONECT 122 104 MASTER 0 0 0 0 0 0 0 0 122 0 272 0 END