REMARK Name = BDB000236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 0.026 -0.324 1.569 0.00 0.00 +0.234 C ATOM 2 N TRP A 2 -1.150 -0.173 2.265 0.00 0.00 -0.301 N ATOM 3 H TRP A 2 -1.195 0.417 3.092 0.00 0.00 +0.150 HD ATOM 4 O UNK A 1 0.069 -0.934 0.501 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C UNK A 1 2.125 1.306 0.272 0.00 0.00 +0.269 C ATOM 6 N UNK A 1 2.423 0.521 1.409 0.00 0.00 -0.285 N ATOM 7 C UNK A 1 1.294 0.193 2.283 0.00 0.00 +0.162 C ATOM 8 C UNK A 1 1.179 1.402 3.204 0.00 0.00 +0.033 C ATOM 9 C UNK A 1 2.621 1.913 3.317 0.00 0.00 +0.021 C ATOM 10 C UNK A 1 3.423 1.124 2.276 0.00 0.00 +0.109 C ATOM 11 O UNK A 1 1.099 1.978 0.185 0.00 0.00 -0.268 OA BRANCH 5 15 ATOM 12 C UNK A 1 4.230 1.769 -2.548 0.00 0.00 +0.213 A ATOM 13 O UNK A 1 4.847 0.646 -2.067 0.00 0.00 -0.445 OA ATOM 14 C UNK A 1 4.136 0.332 -0.950 0.00 0.00 +0.230 A ATOM 15 C UNK A 1 3.134 1.264 -0.788 0.00 0.00 +0.164 A ATOM 16 N UNK A 1 3.206 2.180 -1.825 0.00 0.00 -0.207 NA BRANCH 12 18 ATOM 17 C UNK A 1 5.840 3.406 -3.501 0.00 0.00 +0.034 C ATOM 18 C UNK A 1 4.779 2.356 -3.817 0.00 0.00 +0.135 C BRANCH 18 19 ATOM 19 N UNK A 1 3.715 2.975 -4.629 0.00 0.00 -0.320 NA ATOM 20 H UNK A 1 3.235 3.652 -4.029 0.00 0.00 +0.119 HD ATOM 21 H UNK A 1 3.006 2.264 -4.808 0.00 0.00 +0.119 HD ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 5 15 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 CA TRP A 2 -2.437 -0.552 1.672 0.00 0.00 +0.186 C BRANCH 22 23 ATOM 23 C TRP A 2 -3.521 0.243 2.405 0.00 0.00 +0.326 C ATOM 24 O TRP A 2 -3.361 0.722 3.523 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT TRP A 2 -4.675 0.395 1.718 0.00 0.00 -0.479 OA ATOM 26 HXT TRP A 2 -4.686 -0.062 0.851 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 CB TRP A 2 -2.690 -2.060 1.798 0.00 0.00 +0.071 C BRANCH 27 28 ATOM 28 CG TRP A 2 -3.841 -2.529 0.961 0.00 0.00 -0.020 A ATOM 29 CD2 TRP A 2 -3.874 -2.625 -0.467 0.00 0.00 +0.003 A ATOM 30 CE2 TRP A 2 -5.146 -3.069 -0.826 0.00 0.00 +0.047 A ATOM 31 CZ2 TRP A 2 -5.533 -3.262 -2.157 0.00 0.00 +0.026 A ATOM 32 CH2 TRP A 2 -4.590 -2.989 -3.151 0.00 0.00 +0.002 A ATOM 33 CZ3 TRP A 2 -3.310 -2.547 -2.825 0.00 0.00 +0.001 A ATOM 34 NE1 TRP A 2 -5.853 -3.263 0.338 0.00 0.00 -0.360 N ATOM 35 HE1 TRP A 2 -6.805 -3.600 0.382 0.00 0.00 +0.165 HD ATOM 36 CE3 TRP A 2 -2.938 -2.363 -1.488 0.00 0.00 +0.010 A ATOM 37 CD1 TRP A 2 -5.080 -2.931 1.419 0.00 0.00 +0.087 A ENDBRANCH 27 28 ENDBRANCH 22 27 ENDBRANCH 2 22 TORSDOF 9