HEADER PROTEIN 30-JUN-13 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 30-JUN-13 0 HETATM 1 C UNK 0 -14.165 -1.949 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -12.831 -2.719 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 -11.498 -1.949 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 -11.498 -0.409 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -12.831 0.361 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -14.165 -0.409 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -12.831 -4.259 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -15.499 -2.719 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 -15.499 0.361 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 -12.832 1.901 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 -10.164 0.361 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -10.164 1.901 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -8.830 2.671 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 -8.830 4.211 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 -10.164 4.981 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -11.498 4.211 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -11.498 2.671 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -13.030 2.832 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 -12.827 4.979 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 -10.164 6.521 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -11.498 7.291 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 -7.501 1.904 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -6.167 2.674 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.834 1.904 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.500 2.674 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.500 4.214 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.834 4.984 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.167 4.214 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -7.497 4.981 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -4.834 6.519 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -2.171 1.906 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -6.163 7.286 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -0.841 2.674 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.492 1.904 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 1.826 2.674 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 1.826 4.214 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 0.492 4.984 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.841 4.214 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.171 4.981 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 0.492 0.369 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 0.492 6.519 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 3.160 1.904 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 1.821 7.286 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 3.150 6.519 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 1.821 8.821 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 0.492 9.588 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 -0.837 8.821 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 3.150 9.588 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 4.480 7.286 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 3.150 4.984 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 4.480 8.826 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 5.809 6.519 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 5.809 4.979 0.000 0.00 0.00 O+0 HETATM 54 N ^NHAc 1 -4.834 0.364 0.000 0.00 0.00 N+0 HETATM 55 O ^NHAc 1 -2.166 0.364 0.000 0.00 0.00 O+0 HETATM 56 C ^NHAc 1 -3.500 -0.406 0.000 0.00 0.00 C+0 HETATM 57 C ^NHAc 1 -3.500 -1.946 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 5.827 1.903 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 5.827 0.334 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 7.203 -0.421 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 8.537 0.349 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 8.537 1.889 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 7.203 2.659 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 9.866 -0.419 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 7.203 -1.961 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 9.866 2.656 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 5.869 -2.731 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 9.866 -1.959 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 8.532 -2.729 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 8.532 -4.269 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 9.866 -5.039 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 11.200 -4.269 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 11.200 -2.729 0.000 0.00 0.00 O+0 HETATM 74 O UNK 0 7.001 -2.890 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 12.533 -5.039 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 9.866 -6.579 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 7.199 -5.039 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 13.867 -4.269 0.000 0.00 0.00 O+0 HETATM 79 C UNK 0 11.195 1.889 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 11.195 0.349 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 12.529 -0.421 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 13.863 0.349 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 13.863 1.889 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 12.529 2.659 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 12.529 4.193 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 15.192 2.656 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 15.192 -0.419 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 12.529 -1.956 0.000 0.00 0.00 O+0 HETATM 89 N NHAc 2 7.203 4.199 0.000 0.00 0.00 N+0 HETATM 90 O NHAc 2 8.537 6.509 0.000 0.00 0.00 O+0 HETATM 91 C NHAc 2 8.537 4.969 0.000 0.00 0.00 C+0 HETATM 92 C NHAc 2 9.871 4.199 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 4.493 2.673 0.000 0.00 0.00 O+0 CONECT 1 2 6 8 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 11 CONECT 5 4 6 10 CONECT 6 5 1 9 CONECT 7 2 CONECT 8 1 CONECT 9 6 CONECT 10 5 CONECT 11 4 12 CONECT 12 13 17 11 CONECT 13 12 14 22 CONECT 14 13 15 CONECT 15 14 16 20 CONECT 16 15 17 19 CONECT 17 16 12 18 CONECT 18 17 CONECT 19 16 CONECT 20 15 21 CONECT 21 20 CONECT 22 13 23 CONECT 23 22 24 28 CONECT 24 23 25 54 CONECT 25 24 26 31 CONECT 26 25 27 CONECT 27 26 28 30 CONECT 28 27 23 29 CONECT 29 28 CONECT 30 27 32 CONECT 31 25 33 CONECT 32 30 CONECT 33 34 38 31 CONECT 34 33 35 40 CONECT 35 34 36 42 CONECT 36 35 37 CONECT 37 36 38 41 CONECT 38 37 33 39 CONECT 39 38 CONECT 40 34 CONECT 41 37 43 CONECT 42 35 93 CONECT 43 41 44 45 CONECT 44 43 49 50 CONECT 45 43 46 48 CONECT 46 45 47 CONECT 47 46 CONECT 48 45 CONECT 49 44 51 52 CONECT 50 44 CONECT 51 49 CONECT 52 49 53 CONECT 53 52 CONECT 54 24 56 CONECT 55 56 CONECT 56 54 55 57 CONECT 57 56 CONECT 58 59 63 93 CONECT 59 58 60 CONECT 60 59 61 65 CONECT 61 60 62 64 CONECT 62 61 63 66 CONECT 63 62 58 89 CONECT 64 61 68 CONECT 65 60 67 CONECT 66 62 79 CONECT 67 65 CONECT 68 64 69 73 CONECT 69 68 70 74 CONECT 70 69 71 77 CONECT 71 70 72 76 CONECT 72 71 73 75 CONECT 73 72 68 CONECT 74 69 CONECT 75 72 78 CONECT 76 71 CONECT 77 70 CONECT 78 75 CONECT 79 66 80 84 CONECT 80 79 81 CONECT 81 80 82 88 CONECT 82 81 83 87 CONECT 83 82 84 86 CONECT 84 83 79 85 CONECT 85 84 CONECT 86 83 CONECT 87 82 CONECT 88 81 CONECT 89 63 91 CONECT 90 91 CONECT 91 89 90 92 CONECT 92 91 CONECT 93 42 58 MASTER 0 0 0 0 0 0 0 0 93 0 198 0 END