REMARK Name = BDB059699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C ARG A 2 0.082 0.003 1.108 0.00 0.00 +0.234 C ATOM 2 N PHE A 3 1.102 -0.820 1.540 0.00 0.00 -0.302 N ATOM 3 H PHE A 3 0.926 -1.818 1.512 0.00 0.00 +0.150 HD ATOM 4 O ARG A 2 0.273 1.149 0.703 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 CA PHE A 3 2.495 -0.436 1.319 0.00 0.00 +0.163 C BRANCH 5 6 ATOM 6 C PHE A 3 2.883 -0.811 -0.129 0.00 0.00 +0.234 C ATOM 7 N ARG A 4 3.994 -0.155 -0.618 0.00 0.00 -0.304 N ATOM 8 H ARG A 4 4.641 0.251 0.049 0.00 0.00 +0.149 HD ATOM 9 O PHE A 3 2.249 -1.626 -0.801 0.00 0.00 -0.274 OA BRANCH 7 10 ATOM 10 CA ARG A 4 4.534 -0.473 -1.936 0.00 0.00 +0.136 C BRANCH 10 11 ATOM 11 C ARG A 4 5.585 -1.562 -1.755 0.00 0.00 +0.245 C ATOM 12 O ARG A 4 6.250 -1.712 -0.731 0.00 0.00 -0.299 OA ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 CB ARG A 4 5.161 0.770 -2.570 0.00 0.00 +0.031 C BRANCH 13 14 ATOM 14 CG ARG A 4 5.506 0.629 -4.060 0.00 0.00 +0.023 C BRANCH 14 15 ATOM 15 CD ARG A 4 4.323 0.298 -4.977 0.00 0.00 +0.115 C BRANCH 15 16 ATOM 16 NE ARG A 4 3.210 1.192 -4.747 0.00 0.00 -0.356 N ATOM 17 HE ARG A 4 2.312 0.722 -4.693 0.00 0.00 +0.162 HD BRANCH 16 18 ATOM 18 CZ ARG A 4 3.086 2.430 -5.270 0.00 0.00 +0.188 C ATOM 19 NH1 ARG A 4 3.944 3.119 -5.921 0.00 0.00 -0.269 NA ATOM 20 HH1 ARG A 4 4.810 2.593 -6.023 0.00 0.00 +0.190 HD BRANCH 18 21 ATOM 21 NH2 ARG A 4 1.868 2.946 -5.022 0.00 0.00 -0.370 N ATOM 22 HH21 ARG A 4 1.855 3.920 -5.312 0.00 0.00 +0.159 HD ATOM 23 HH22 ARG A 4 1.609 2.879 -4.044 0.00 0.00 +0.159 HD ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 7 10 ENDBRANCH 5 6 BRANCH 5 24 ATOM 24 CB PHE A 3 3.449 -1.055 2.355 0.00 0.00 +0.067 C BRANCH 24 25 ATOM 25 CG PHE A 3 3.325 -2.554 2.521 0.00 0.00 -0.045 A ATOM 26 CD2 PHE A 3 4.065 -3.428 1.714 0.00 0.00 +0.004 A ATOM 27 CE2 PHE A 3 3.926 -4.809 1.854 0.00 0.00 +0.000 A ATOM 28 CZ PHE A 3 3.050 -5.332 2.803 0.00 0.00 +0.000 A ATOM 29 CE1 PHE A 3 2.314 -4.473 3.616 0.00 0.00 +0.000 A ATOM 30 CD1 PHE A 3 2.451 -3.092 3.478 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 5 24 ENDBRANCH 2 5 BRANCH 1 31 ATOM 31 CA ARG A 2 -1.316 -0.651 1.117 0.00 0.00 +0.159 C BRANCH 31 33 ATOM 32 C GLN A 1 -2.778 0.993 2.219 0.00 0.00 +0.234 C ATOM 33 N ARG A 2 -2.307 0.421 1.055 0.00 0.00 -0.302 N ATOM 34 H ARG A 2 -2.215 1.040 0.257 0.00 0.00 +0.150 HD ATOM 35 O GLN A 1 -2.564 0.512 3.333 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 CA GLN A 1 -3.613 2.280 2.030 0.00 0.00 +0.159 C BRANCH 36 39 ATOM 37 C UNK A 0 -6.064 3.104 4.819 0.00 0.00 +0.109 C ATOM 38 C UNK A 0 -5.524 3.053 3.415 0.00 0.00 +0.211 C ATOM 39 N GLN A 1 -4.250 2.557 3.316 0.00 0.00 -0.304 N ATOM 40 H GLN A 1 -3.840 2.080 4.115 0.00 0.00 +0.149 HD ATOM 41 O UNK A 0 -6.178 3.437 2.451 0.00 0.00 -0.276 OA ENDBRANCH 36 39 BRANCH 36 42 ATOM 42 CB GLN A 1 -2.729 3.444 1.564 0.00 0.00 +0.041 C BRANCH 42 43 ATOM 43 CG GLN A 1 -3.530 4.709 1.259 0.00 0.00 +0.098 C BRANCH 43 44 ATOM 44 CD GLN A 1 -2.689 5.779 0.600 0.00 0.00 +0.211 C ATOM 45 OE1 GLN A 1 -1.516 5.648 0.274 0.00 0.00 -0.276 OA ATOM 46 NE2 GLN A 1 -3.357 6.947 0.373 0.00 0.00 -0.329 N ATOM 47 HE21 GLN A 1 -4.354 7.035 0.511 0.00 0.00 +0.145 HD ATOM 48 HE22 GLN A 1 -2.865 7.682 -0.118 0.00 0.00 +0.145 HD ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 36 42 ENDBRANCH 32 36 ENDBRANCH 31 33 BRANCH 31 49 ATOM 49 CB ARG A 2 -1.449 -1.598 -0.083 0.00 0.00 +0.033 C BRANCH 49 50 ATOM 50 CG ARG A 2 -2.766 -2.378 -0.064 0.00 0.00 +0.023 C BRANCH 50 51 ATOM 51 CD ARG A 2 -2.843 -3.358 -1.235 0.00 0.00 +0.115 C BRANCH 51 52 ATOM 52 NE ARG A 2 -4.086 -4.105 -1.200 0.00 0.00 -0.356 N ATOM 53 HE ARG A 2 -4.151 -4.731 -0.404 0.00 0.00 +0.162 HD BRANCH 52 54 ATOM 54 CZ ARG A 2 -5.293 -3.609 -1.547 0.00 0.00 +0.188 C ATOM 55 NH1 ARG A 2 -5.568 -2.535 -2.186 0.00 0.00 -0.269 NA ATOM 56 HH1 ARG A 2 -4.705 -2.050 -2.429 0.00 0.00 +0.190 HD BRANCH 54 57 ATOM 57 NH2 ARG A 2 -6.294 -4.416 -1.147 0.00 0.00 -0.370 N ATOM 58 HH21 ARG A 2 -6.152 -5.375 -1.437 0.00 0.00 +0.159 HD ATOM 59 HH22 ARG A 2 -7.167 -4.066 -1.535 0.00 0.00 +0.159 HD ENDBRANCH 54 57 ENDBRANCH 52 54 ENDBRANCH 51 52 ENDBRANCH 50 51 ENDBRANCH 49 50 ENDBRANCH 31 49 ENDBRANCH 1 31 TORSDOF 25