USER Name = /Users/jason/temp/1hvr/1XK2.pdb USER x y z vdW Elec q Type USER _______ _______ _______ _____ _____ ______ ____ ROOT HETATM 1 O1 XK2 A 1 1.004 0.411 -3.314 0.00 0.00 -0.252 OA HETATM 2 C1 XK2 A 1 0.506 0.252 -2.211 0.00 0.00 +0.306 C HETATM 3 N7 XK2 A 1 0.112 1.342 -1.542 0.00 0.00 -0.275 N HETATM 4 C6 XK2 A 1 -1.329 1.486 -1.249 0.00 0.00 +0.113 C HETATM 5 C5 XK2 A 1 -1.629 0.811 0.102 0.00 0.00 +0.165 C HETATM 6 C4 XK2 A 1 -0.874 -0.502 0.324 0.00 0.00 +0.165 C HETATM 7 C3 XK2 A 1 -0.754 -1.452 -0.881 0.00 0.00 +0.113 C HETATM 8 N2 XK2 A 1 0.364 -1.000 -1.732 0.00 0.00 -0.275 N ENDROOT BRANCH 5 9 HETATM 9 O5 XK2 A 1 -1.339 1.686 1.200 0.00 0.00 -0.387 OA HETATM 10 HO5 XK2 A 1 -2.029 1.598 1.872 0.00 0.00 +0.210 HD ENDBRANCH 5 9 BRANCH 6 11 HETATM 11 O4 XK2 A 1 -1.541 -1.212 1.376 0.00 0.00 -0.387 OA HETATM 12 HO4 XK2 A 1 -1.447 -0.722 2.205 0.00 0.00 +0.210 HD ENDBRANCH 6 11 BRANCH 3 13 HETATM 13 C7 XK2 A 1 1.019 2.437 -1.162 0.00 0.00 +0.144 C BRANCH 13 14 HETATM 14 C70 XK2 A 1 1.414 2.468 0.300 0.00 0.00 -0.029 A HETATM 15 C79 XK2 A 1 2.219 1.448 0.814 0.00 0.00 +0.006 A HETATM 16 C78 XK2 A 1 2.614 1.439 2.152 0.00 0.00 +0.009 A HETATM 17 C77 XK2 A 1 2.216 2.468 2.998 0.00 0.00 -0.018 A HETATM 18 C76 XK2 A 1 2.588 2.502 4.338 0.00 0.00 +0.008 A HETATM 19 C75 XK2 A 1 2.162 3.556 5.147 0.00 0.00 +0.001 A HETATM 20 C74 XK2 A 1 1.366 4.584 4.635 0.00 0.00 +0.001 A HETATM 21 C73 XK2 A 1 0.969 4.590 3.297 0.00 0.00 +0.008 A HETATM 22 C72 XK2 A 1 1.369 3.561 2.452 0.00 0.00 -0.018 A HETATM 23 C71 XK2 A 1 0.999 3.528 1.112 0.00 0.00 +0.013 A ENDBRANCH 13 14 ENDBRANCH 3 13 BRANCH 4 24 HETATM 24 C61 XK2 A 1 -1.792 2.951 -1.302 0.00 0.00 +0.060 C BRANCH 24 25 HETATM 25 C62 XK2 A 1 -3.304 2.990 -1.341 0.00 0.00 -0.046 A HETATM 26 C67 XK2 A 1 -3.972 2.823 -2.553 0.00 0.00 +0.004 A HETATM 27 C66 XK2 A 1 -5.364 2.855 -2.593 0.00 0.00 +0.000 A HETATM 28 C65 XK2 A 1 -6.090 3.054 -1.421 0.00 0.00 +0.000 A HETATM 29 C64 XK2 A 1 -5.423 3.221 -0.210 0.00 0.00 +0.000 A HETATM 30 C63 XK2 A 1 -4.031 3.188 -0.169 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 7 31 HETATM 31 C31 XK2 A 1 -2.006 -1.574 -1.769 0.00 0.00 +0.060 C BRANCH 31 32 HETATM 32 C32 XK2 A 1 -2.434 -3.019 -1.891 0.00 0.00 -0.046 A HETATM 33 C37 XK2 A 1 -1.956 -3.806 -2.936 0.00 0.00 +0.004 A HETATM 34 C36 XK2 A 1 -2.355 -5.136 -3.047 0.00 0.00 +0.000 A HETATM 35 C35 XK2 A 1 -3.234 -5.680 -2.114 0.00 0.00 +0.000 A HETATM 36 C34 XK2 A 1 -3.715 -4.893 -1.070 0.00 0.00 +0.000 A HETATM 37 C33 XK2 A 1 -3.316 -3.562 -0.959 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 7 31 BRANCH 8 38 HETATM 38 C2 XK2 A 1 1.267 -2.114 -2.042 0.00 0.00 +0.144 C BRANCH 38 39 HETATM 39 C20 XK2 A 1 2.224 -2.439 -0.915 0.00 0.00 -0.029 A HETATM 40 C29 XK2 A 1 3.400 -1.700 -0.775 0.00 0.00 +0.013 A HETATM 41 C28 XK2 A 1 4.289 -1.996 0.254 0.00 0.00 -0.018 A HETATM 42 C23 XK2 A 1 3.973 -3.110 1.187 0.00 0.00 -0.018 A HETATM 43 C22 XK2 A 1 2.795 -3.826 1.007 0.00 0.00 +0.009 A HETATM 44 C21 XK2 A 1 1.933 -3.492 -0.039 0.00 0.00 +0.006 A HETATM 45 C27 XK2 A 1 5.467 -1.280 0.435 0.00 0.00 +0.008 A HETATM 46 C26 XK2 A 1 6.330 -1.614 1.480 0.00 0.00 +0.001 A HETATM 47 C25 XK2 A 1 6.031 -2.662 2.356 0.00 0.00 +0.001 A HETATM 48 C24 XK2 A 1 4.861 -3.408 2.214 0.00 0.00 +0.008 A ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 10 TER