REMARK Name = BDB058774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 1.801 0.375 -2.038 0.00 0.00 +0.056 A ATOM 2 C UNK A 0 1.460 -0.711 -1.197 0.00 0.00 +0.006 A ATOM 3 C UNK A 0 0.433 -0.530 -0.225 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 0.157 -1.619 0.640 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 0.826 -2.841 0.548 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 1.803 -3.016 -0.414 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -0.269 0.719 -0.148 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 0.154 1.774 -0.966 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 2.117 -1.965 -1.273 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 1.163 1.604 -1.908 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N UNK A 0 2.852 0.275 -3.002 0.00 0.00 -0.216 N ATOM 12 H UNK A 0 2.962 -0.598 -3.511 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S UNK A 0 4.317 1.063 -2.719 0.00 0.00 +0.072 S ATOM 14 O UNK A 0 4.085 2.486 -2.593 0.00 0.00 -0.150 OA ATOM 15 O UNK A 0 5.239 0.543 -3.708 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C UNK A 0 5.671 -0.516 1.354 0.00 0.00 +0.120 A ATOM 17 C UNK A 0 4.858 0.620 1.270 0.00 0.00 +0.047 A ATOM 18 C UNK A 0 4.444 1.110 0.030 0.00 0.00 +0.032 A ATOM 19 C UNK A 0 4.833 0.445 -1.133 0.00 0.00 +0.109 A ATOM 20 C UNK A 0 5.662 -0.678 -1.064 0.00 0.00 +0.032 A ATOM 21 C UNK A 0 6.076 -1.160 0.183 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C UNK A 0 6.817 -2.040 2.775 0.00 0.00 +0.277 C ATOM 23 O UNK A 0 6.002 -0.885 2.629 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N TRP A 1 -1.271 0.909 0.813 0.00 0.00 -0.331 N ATOM 25 H TRP A 1 -1.739 0.048 1.089 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA TRP A 1 -2.261 2.012 0.762 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 C TRP A 1 -3.061 2.031 2.072 0.00 0.00 +0.326 C ATOM 28 O TRP A 1 -3.083 1.167 2.937 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT TRP A 1 -3.786 3.160 2.237 0.00 0.00 -0.479 OA ATOM 30 HXT TRP A 1 -4.221 3.017 3.105 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 CB TRP A 1 -3.226 1.905 -0.434 0.00 0.00 +0.071 C BRANCH 31 32 ATOM 32 CG TRP A 1 -4.070 0.661 -0.462 0.00 0.00 -0.020 A ATOM 33 CD2 TRP A 1 -5.425 0.529 -0.013 0.00 0.00 +0.003 A ATOM 34 CE2 TRP A 1 -5.807 -0.797 -0.221 0.00 0.00 +0.047 A ATOM 35 CZ2 TRP A 1 -7.077 -1.283 0.115 0.00 0.00 +0.026 A ATOM 36 CH2 TRP A 1 -7.987 -0.384 0.677 0.00 0.00 +0.002 A ATOM 37 CZ3 TRP A 1 -7.641 0.947 0.892 0.00 0.00 +0.001 A ATOM 38 NE1 TRP A 1 -4.735 -1.444 -0.788 0.00 0.00 -0.360 N ATOM 39 HE1 TRP A 1 -4.729 -2.418 -1.054 0.00 0.00 +0.165 HD ATOM 40 CE3 TRP A 1 -6.366 1.416 0.551 0.00 0.00 +0.010 A ATOM 41 CD1 TRP A 1 -3.690 -0.576 -0.948 0.00 0.00 +0.087 A ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 10