REMARK Name = BDB048068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C PHE A 1 0.682 -0.123 1.577 0.00 0.00 +0.234 C ATOM 2 N PHE A 1 -0.418 -0.160 0.758 0.00 0.00 -0.302 N ATOM 3 H PHE A 1 -0.660 -1.008 0.259 0.00 0.00 +0.150 HD ATOM 4 O PHE A 1 1.003 0.881 2.212 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 CA PHE A 1 -1.313 0.978 0.572 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 C PHE A 1 -2.730 0.414 0.337 0.00 0.00 +0.234 C ATOM 7 N UNK A 2 -3.728 1.355 0.351 0.00 0.00 -0.302 N ATOM 8 H UNK A 2 -3.513 2.339 0.495 0.00 0.00 +0.150 HD ATOM 9 O PHE A 1 -2.947 -0.781 0.154 0.00 0.00 -0.274 OA BRANCH 7 10 ATOM 10 C UNK A 2 -5.138 1.028 0.163 0.00 0.00 +0.159 C BRANCH 10 11 ATOM 11 C UNK A 2 -5.795 2.308 -0.394 0.00 0.00 +0.234 C ATOM 12 N UNK A 3 -6.900 2.095 -1.194 0.00 0.00 -0.299 N ATOM 13 H UNK A 3 -7.267 1.158 -1.270 0.00 0.00 +0.150 HD ATOM 14 O UNK A 2 -5.341 3.425 -0.141 0.00 0.00 -0.274 OA BRANCH 12 15 ATOM 15 C UNK A 3 -7.785 3.203 -1.569 0.00 0.00 +0.207 C BRANCH 15 16 ATOM 16 C UNK A 3 -7.040 4.346 -2.284 0.00 0.00 +0.330 C ATOM 17 O UNK A 3 -6.180 4.159 -3.141 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK A 3 -7.510 5.574 -1.926 0.00 0.00 -0.467 OA ATOM 19 C UNK A 3 -6.827 6.660 -2.550 0.00 0.00 +0.280 C ENDBRANCH 16 18 ENDBRANCH 15 16 BRANCH 15 20 ATOM 20 C UNK A 3 -8.750 3.619 -0.441 0.00 0.00 +0.189 C BRANCH 20 21 ATOM 21 O UNK A 3 -8.105 3.807 0.812 0.00 0.00 -0.393 OA ATOM 22 H UNK A 3 -8.719 4.293 1.391 0.00 0.00 +0.209 HD ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 12 15 ENDBRANCH 10 11 BRANCH 10 23 ATOM 23 C UNK A 2 -5.762 0.616 1.503 0.00 0.00 +0.032 C BRANCH 23 24 ATOM 24 C UNK A 2 -7.188 0.059 1.437 0.00 0.00 +0.004 C BRANCH 24 25 ATOM 25 C UNK A 2 -7.372 -1.221 0.612 0.00 0.00 +0.015 C BRANCH 25 26 ATOM 26 C UNK A 2 -6.569 -2.412 1.158 0.00 0.00 +0.084 C BRANCH 26 27 ATOM 27 N UNK A 2 -6.849 -3.718 0.535 0.00 0.00 -0.303 NA BRANCH 27 28 ATOM 28 C UNK A 2 -6.567 -3.774 -0.907 0.00 0.00 +0.081 C ATOM 29 C UNK A 2 -5.134 -3.408 -1.278 0.00 0.00 +0.020 C ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C UNK A 2 -8.207 -4.191 0.855 0.00 0.00 +0.081 C ATOM 31 C UNK A 2 -8.367 -5.697 0.674 0.00 0.00 +0.020 C ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 10 23 ENDBRANCH 7 10 ENDBRANCH 5 6 BRANCH 5 32 ATOM 32 CB PHE A 1 -0.863 1.853 -0.611 0.00 0.00 +0.034 C BRANCH 32 33 ATOM 33 CG PHE A 1 -0.167 3.163 -0.189 0.00 0.00 -0.015 C ATOM 34 CD2 PHE A 1 -1.142 4.139 0.475 0.00 0.00 +0.007 C ATOM 35 CD1 PHE A 1 0.466 3.833 -1.412 0.00 0.00 +0.007 C ENDBRANCH 32 33 ENDBRANCH 5 32 ENDBRANCH 2 5 BRANCH 1 36 ATOM 36 CA PHE A 1 1.456 -1.456 1.674 0.00 0.00 +0.159 C BRANCH 36 37 ATOM 37 N PHE A 1 2.851 -1.161 1.995 0.00 0.00 -0.302 N ATOM 38 H PHE A 1 3.023 -0.766 2.915 0.00 0.00 +0.150 HD ATOM 39 C PHE A 1 3.744 -0.833 0.999 0.00 0.00 +0.234 C ATOM 40 O PHE A 1 3.449 -0.863 -0.196 0.00 0.00 -0.274 OA BRANCH 39 41 ATOM 41 CA PHE A 1 5.158 -0.448 1.480 0.00 0.00 +0.163 C BRANCH 41 42 ATOM 42 N PHE A 1 6.041 -0.535 0.314 0.00 0.00 -0.300 N ATOM 43 H PHE A 1 5.584 -0.701 -0.578 0.00 0.00 +0.150 HD ATOM 44 C UNK A 0 7.389 -0.768 0.465 0.00 0.00 +0.245 C ATOM 45 O UNK A 0 7.936 -0.818 1.562 0.00 0.00 -0.270 OA BRANCH 44 46 ATOM 46 C UNK A 0 8.173 -1.005 -0.777 0.00 0.00 +0.037 A ATOM 47 C UNK A 0 7.792 -0.485 -2.014 0.00 0.00 +0.013 A ATOM 48 C UNK A 0 8.568 -0.744 -3.151 0.00 0.00 +0.005 A ATOM 49 C UNK A 0 9.740 -1.524 -3.088 0.00 0.00 -0.042 A ATOM 50 C UNK A 0 10.111 -2.026 -1.830 0.00 0.00 +0.005 A ATOM 51 C UNK A 0 9.342 -1.764 -0.689 0.00 0.00 +0.013 A BRANCH 49 52 ATOM 52 C UNK A 0 10.561 -1.793 -4.362 0.00 0.00 -0.013 C ATOM 53 C UNK A 0 11.086 -0.457 -4.928 0.00 0.00 +0.015 C ATOM 54 C UNK A 0 11.783 -2.713 -4.137 0.00 0.00 +0.015 C ATOM 55 C UNK A 0 9.672 -2.484 -5.420 0.00 0.00 +0.015 C ENDBRANCH 49 52 ENDBRANCH 44 46 ENDBRANCH 41 42 BRANCH 41 56 ATOM 56 CB PHE A 1 5.191 0.961 2.097 0.00 0.00 +0.067 C BRANCH 56 57 ATOM 57 CG PHE A 1 4.892 0.970 3.580 0.00 0.00 -0.045 A ATOM 58 CD2 PHE A 1 5.791 0.384 4.483 0.00 0.00 +0.004 A ATOM 59 CE2 PHE A 1 5.509 0.365 5.849 0.00 0.00 +0.000 A ATOM 60 CZ PHE A 1 4.331 0.936 6.327 0.00 0.00 +0.000 A ATOM 61 CE1 PHE A 1 3.437 1.533 5.439 0.00 0.00 +0.000 A ATOM 62 CD1 PHE A 1 3.719 1.556 4.072 0.00 0.00 +0.004 A ENDBRANCH 56 57 ENDBRANCH 41 56 ENDBRANCH 39 41 ENDBRANCH 36 37 BRANCH 36 64 ATOM 63 C PHE A 1 -0.435 -3.043 2.346 0.00 0.00 +0.006 C ATOM 64 C PHE A 1 0.860 -2.358 2.763 0.00 0.00 +0.028 C ENDBRANCH 36 64 ENDBRANCH 1 36 TORSDOF 27