HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 C UNK 0 13.705 -20.528 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 12.371 -19.758 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 12.371 -18.218 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 11.037 -17.448 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 11.037 -15.908 0.000 0.00 0.00 O+0 HETATM 6 N UNK 0 9.703 -18.218 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 8.370 -17.448 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 8.370 -15.908 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 7.036 -15.138 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 5.702 -15.908 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 7.036 -13.598 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 7.036 -18.218 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 7.036 -19.758 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 5.702 -17.448 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 4.369 -18.218 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 3.035 -17.448 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 4.369 -19.758 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 5.615 -20.663 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 5.139 -22.127 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 3.599 -22.127 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 3.123 -20.663 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 1.658 -20.187 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 0.514 -21.217 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 1.338 -18.681 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.369 -17.536 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 1.599 -16.202 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 0.092 -16.523 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 -0.069 -18.054 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 -1.402 -18.824 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.402 -20.364 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -2.736 -18.054 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.070 -18.824 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.070 -20.364 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.736 -21.134 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 -5.403 -21.134 0.000 0.00 0.00 O+0 HETATM 36 N UNK 0 -2.736 -16.514 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 -1.402 -15.744 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 0.129 -15.583 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.402 -14.204 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.736 -13.434 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.736 -11.894 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.070 -11.124 0.000 0.00 0.00 C+0 HETATM 43 N UNK 0 -5.403 -11.894 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 -5.403 -13.434 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 -6.737 -14.204 0.000 0.00 0.00 N+0 HETATM 46 N UNK 0 -4.070 -14.204 0.000 0.00 0.00 N+0 HETATM 47 N UNK 0 -0.069 -13.434 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 -0.069 -11.894 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 -1.402 -11.124 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 1.265 -11.124 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 2.599 -11.894 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 3.932 -11.124 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 5.266 -11.894 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 6.600 -11.124 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 7.933 -11.894 0.000 0.00 0.00 N+0 HETATM 56 N UNK 0 1.265 -9.584 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 2.599 -8.814 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 3.932 -9.584 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 2.599 -7.274 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 1.265 -6.504 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 -0.069 -7.274 0.000 0.00 0.00 O+0 HETATM 62 N UNK 0 3.932 -6.504 0.000 0.00 0.00 N+0 HETATM 63 C UNK 0 3.932 -4.964 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 5.266 -4.194 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 2.599 -4.194 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 1.192 -4.821 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 0.161 -3.676 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 0.931 -2.342 0.000 0.00 0.00 C+0 HETATM 69 N UNK 0 2.438 -2.663 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 3.582 -1.632 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 5.047 -2.108 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 3.262 -0.126 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 1.855 0.500 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 2.016 2.032 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 3.522 2.352 0.000 0.00 0.00 C+0 HETATM 76 N UNK 0 4.292 1.019 0.000 0.00 0.00 N+0 HETATM 77 C UNK 0 5.824 0.858 0.000 0.00 0.00 C+0 HETATM 78 O UNK 0 6.450 -0.549 0.000 0.00 0.00 O+0 HETATM 79 C UNK 0 6.729 2.104 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 8.261 1.942 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 8.887 0.536 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 10.419 0.375 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 11.045 -1.032 0.000 0.00 0.00 C+0 HETATM 84 N UNK 0 12.576 -1.193 0.000 0.00 0.00 N+0 HETATM 85 N UNK 0 6.103 3.510 0.000 0.00 0.00 N+0 HETATM 86 C UNK 0 4.571 3.671 0.000 0.00 0.00 C+0 HETATM 87 O UNK 0 3.107 3.195 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 3.945 5.078 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 4.850 6.324 0.000 0.00 0.00 C+0 HETATM 90 O UNK 0 6.382 6.163 0.000 0.00 0.00 O+0 HETATM 91 N UNK 0 2.413 5.239 0.000 0.00 0.00 N+0 HETATM 92 C UNK 0 1.787 6.646 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 2.692 7.892 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 0.255 6.807 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 -0.650 5.561 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 -2.181 5.722 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 -3.087 4.476 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 -4.618 4.637 0.000 0.00 0.00 O+0 HETATM 99 N UNK 0 -2.460 3.069 0.000 0.00 0.00 N+0 HETATM 100 N UNK 0 -0.371 8.214 0.000 0.00 0.00 N+0 HETATM 101 C UNK 0 -1.903 8.375 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 -2.808 7.129 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 -2.529 9.782 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 -1.624 11.028 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 -2.250 12.434 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 -0.092 10.867 0.000 0.00 0.00 C+0 HETATM 107 N UNK 0 -4.061 9.943 0.000 0.00 0.00 N+0 HETATM 108 C UNK 0 -4.687 11.350 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 -3.782 12.595 0.000 0.00 0.00 O+0 HETATM 110 C UNK 0 -6.219 11.510 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 -6.845 12.917 0.000 0.00 0.00 C+0 HETATM 112 N UNK 0 -7.124 10.265 0.000 0.00 0.00 N+0 HETATM 113 N UNK 0 13.705 -17.448 0.000 0.00 0.00 N+0 HETATM 114 C UNK 0 15.038 -18.218 0.000 0.00 0.00 C+0 HETATM 115 O UNK 0 15.038 -19.758 0.000 0.00 0.00 O+0 HETATM 116 C UNK 0 16.372 -17.448 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 16.372 -15.908 0.000 0.00 0.00 C+0 HETATM 118 C UNK 0 17.706 -15.138 0.000 0.00 0.00 C+0 HETATM 119 C UNK 0 17.706 -13.598 0.000 0.00 0.00 C+0 HETATM 120 O UNK 0 16.372 -12.828 0.000 0.00 0.00 O+0 HETATM 121 N UNK 0 19.039 -12.828 0.000 0.00 0.00 N+0 HETATM 122 N UNK 0 17.706 -18.218 0.000 0.00 0.00 N+0 HETATM 123 C UNK 0 19.039 -17.448 0.000 0.00 0.00 C+0 HETATM 124 O UNK 0 19.039 -15.908 0.000 0.00 0.00 O+0 HETATM 125 C UNK 0 20.373 -18.218 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 20.373 -19.758 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 19.039 -20.528 0.000 0.00 0.00 C+0 HETATM 128 S UNK 0 19.039 -22.068 0.000 0.00 0.00 S+0 HETATM 129 C UNK 0 17.706 -22.838 0.000 0.00 0.00 C+0 HETATM 130 N UNK 0 21.707 -17.448 0.000 0.00 0.00 N+0 HETATM 131 C UNK 0 23.040 -18.218 0.000 0.00 0.00 C+0 HETATM 132 O UNK 0 23.040 -19.758 0.000 0.00 0.00 O+0 HETATM 133 C UNK 0 24.374 -17.448 0.000 0.00 0.00 C+0 HETATM 134 C UNK 0 25.708 -18.218 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 27.041 -17.448 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 28.375 -18.218 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 29.709 -17.448 0.000 0.00 0.00 C+0 HETATM 138 N UNK 0 31.042 -18.218 0.000 0.00 0.00 N+0 HETATM 139 N UNK 0 24.374 -15.908 0.000 0.00 0.00 N+0 HETATM 140 O UNK 0 11.037 -20.528 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 140 CONECT 3 2 4 113 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 12 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 CONECT 12 7 13 14 CONECT 13 12 CONECT 14 12 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 21 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 17 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 28 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 24 29 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 36 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 CONECT 36 31 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 47 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 CONECT 47 39 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 56 CONECT 51 50 52 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 CONECT 56 50 57 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 62 CONECT 60 59 61 CONECT 61 60 CONECT 62 59 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 69 CONECT 66 65 67 CONECT 67 66 68 CONECT 68 67 69 CONECT 69 68 65 70 CONECT 70 69 71 72 CONECT 71 70 CONECT 72 70 73 76 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 76 CONECT 76 75 72 77 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 80 85 CONECT 80 79 81 CONECT 81 80 82 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 CONECT 85 79 86 CONECT 86 85 87 88 CONECT 87 86 CONECT 88 86 89 91 CONECT 89 88 90 CONECT 90 89 CONECT 91 88 92 CONECT 92 91 93 94 CONECT 93 92 CONECT 94 92 95 100 CONECT 95 94 96 CONECT 96 95 97 CONECT 97 96 98 99 CONECT 98 97 CONECT 99 97 CONECT 100 94 101 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 104 107 CONECT 104 103 105 106 CONECT 105 104 CONECT 106 104 CONECT 107 103 108 CONECT 108 107 109 110 CONECT 109 108 CONECT 110 108 111 112 CONECT 111 110 CONECT 112 110 CONECT 113 3 114 CONECT 114 113 115 116 CONECT 115 114 CONECT 116 114 117 122 CONECT 117 116 118 CONECT 118 117 119 CONECT 119 118 120 121 CONECT 120 119 CONECT 121 119 CONECT 122 116 123 CONECT 123 122 124 125 CONECT 124 123 CONECT 125 123 126 130 CONECT 126 125 127 CONECT 127 126 128 CONECT 128 127 129 CONECT 129 128 CONECT 130 125 131 CONECT 131 130 132 133 CONECT 132 131 CONECT 133 131 134 139 CONECT 134 133 135 CONECT 135 134 136 CONECT 136 135 137 CONECT 137 136 138 CONECT 138 137 CONECT 139 133 CONECT 140 2 MASTER 0 0 0 0 0 0 0 0 140 0 286 0 END