REMARK Name = BDB058802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 1.699 -1.468 -1.962 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 0.722 -2.460 -2.206 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -0.637 -2.191 -1.876 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -1.594 -3.190 -2.183 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -1.243 -4.411 -2.763 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 0.083 -4.670 -3.066 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -0.992 -0.944 -1.265 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 0.003 0.029 -1.104 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 1.050 -3.704 -2.796 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 1.330 -0.231 -1.434 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N TRP A 1 -2.341 -0.693 -0.935 0.00 0.00 -0.331 N ATOM 12 H TRP A 1 -2.741 -1.536 -0.516 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA TRP A 1 -2.745 0.498 -0.146 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 C TRP A 1 -2.333 0.327 1.317 0.00 0.00 +0.326 C ATOM 15 O TRP A 1 -2.601 -0.627 2.035 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT TRP A 1 -1.599 1.355 1.792 0.00 0.00 -0.479 OA ATOM 17 HXT TRP A 1 -1.446 1.125 2.733 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB TRP A 1 -4.278 0.638 -0.215 0.00 0.00 +0.071 C BRANCH 18 19 ATOM 19 CG TRP A 1 -4.781 1.932 0.352 0.00 0.00 -0.020 A ATOM 20 CD2 TRP A 1 -5.266 2.161 1.680 0.00 0.00 +0.003 A ATOM 21 CE2 TRP A 1 -5.615 3.509 1.771 0.00 0.00 +0.047 A ATOM 22 CZ2 TRP A 1 -6.124 4.083 2.942 0.00 0.00 +0.026 A ATOM 23 CH2 TRP A 1 -6.282 3.254 4.056 0.00 0.00 +0.002 A ATOM 24 CZ3 TRP A 1 -5.946 1.904 3.998 0.00 0.00 +0.001 A ATOM 25 NE1 TRP A 1 -5.364 4.076 0.545 0.00 0.00 -0.360 N ATOM 26 HE1 TRP A 1 -5.530 5.047 0.319 0.00 0.00 +0.165 HD ATOM 27 CE3 TRP A 1 -5.439 1.346 2.819 0.00 0.00 +0.010 A ATOM 28 CD1 TRP A 1 -4.861 3.139 -0.317 0.00 0.00 +0.087 A ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 29 ATOM 29 N UNK A 0 3.094 -1.732 -2.231 0.00 0.00 -0.192 N BRANCH 29 30 ATOM 30 S UNK A 0 4.004 -2.438 -0.968 0.00 0.00 +0.075 S ATOM 31 O UNK A 0 3.257 -3.531 -0.382 0.00 0.00 -0.150 OA ATOM 32 O UNK A 0 5.358 -2.648 -1.439 0.00 0.00 -0.150 OA BRANCH 30 36 ATOM 33 C UNK A 0 4.263 0.832 2.228 0.00 0.00 +0.120 A ATOM 34 C UNK A 0 3.226 -0.106 2.256 0.00 0.00 +0.047 A ATOM 35 C UNK A 0 3.141 -1.106 1.286 0.00 0.00 +0.032 A ATOM 36 C UNK A 0 4.092 -1.150 0.264 0.00 0.00 +0.109 A ATOM 37 C UNK A 0 5.149 -0.236 0.240 0.00 0.00 +0.032 A ATOM 38 C UNK A 0 5.227 0.761 1.219 0.00 0.00 +0.047 A BRANCH 33 40 ATOM 39 C UNK A 0 5.290 2.691 3.297 0.00 0.00 +0.277 C ATOM 40 O UNK A 0 4.221 1.756 3.235 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 30 36 ENDBRANCH 29 30 BRANCH 29 41 ATOM 41 C UNK A 0 3.797 -0.778 -3.120 0.00 0.00 +0.251 C BRANCH 41 42 ATOM 42 C UNK A 0 4.903 -1.401 -3.938 0.00 0.00 +0.324 C ATOM 43 O UNK A 0 5.950 -0.849 -4.242 0.00 0.00 -0.249 OA BRANCH 42 44 ATOM 44 O UNK A 0 4.621 -2.638 -4.396 0.00 0.00 -0.479 OA ATOM 45 H UNK A 0 5.448 -2.931 -4.832 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 29 41 ENDBRANCH 1 29 TORSDOF 13