REMARK Name = BDB058769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.350 0.181 0.341 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 -0.252 -0.794 -0.488 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -1.665 -0.962 -0.451 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -2.222 -1.991 -1.254 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -1.442 -2.795 -2.086 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 -0.073 -2.601 -2.142 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -2.461 -0.107 0.382 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.814 0.807 1.224 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 0.512 -1.616 -1.351 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -0.431 0.960 1.195 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N GLU A 1 -3.873 -0.295 0.425 0.00 0.00 -0.331 N ATOM 12 H GLU A 1 -4.167 -0.471 -0.540 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA GLU A 1 -4.749 0.762 1.021 0.00 0.00 +0.180 C BRANCH 13 14 ATOM 14 C GLU A 1 -4.908 0.530 2.533 0.00 0.00 +0.325 C ATOM 15 O GLU A 1 -5.509 1.272 3.295 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT GLU A 1 -4.358 -0.647 2.928 0.00 0.00 -0.479 OA ATOM 17 HXT GLU A 1 -3.914 -1.039 2.134 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB GLU A 1 -6.132 0.723 0.350 0.00 0.00 +0.045 C BRANCH 18 19 ATOM 19 CG GLU A 1 -6.932 -0.556 0.629 0.00 0.00 +0.123 C BRANCH 19 20 ATOM 20 CD GLU A 1 -8.197 -0.605 -0.195 0.00 0.00 +0.305 C ATOM 21 OE1 GLU A 1 -8.386 0.032 -1.218 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 OE2 GLU A 1 -9.106 -1.477 0.294 0.00 0.00 -0.481 OA ATOM 23 HE2 GLU A 1 -8.837 -1.923 1.120 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 24 ATOM 24 N UNK A 0 1.793 0.348 0.332 0.00 0.00 -0.192 N BRANCH 24 25 ATOM 25 S UNK A 0 2.299 1.854 -0.301 0.00 0.00 +0.075 S ATOM 26 O UNK A 0 2.316 2.800 0.798 0.00 0.00 -0.150 OA ATOM 27 O UNK A 0 1.576 2.134 -1.523 0.00 0.00 -0.150 OA BRANCH 25 31 ATOM 28 C UNK A 0 6.621 0.998 -1.518 0.00 0.00 +0.120 A ATOM 29 C UNK A 0 6.353 1.936 -0.517 0.00 0.00 +0.047 A ATOM 30 C UNK A 0 5.033 2.206 -0.142 0.00 0.00 +0.032 A ATOM 31 C UNK A 0 3.984 1.530 -0.769 0.00 0.00 +0.109 A ATOM 32 C UNK A 0 4.239 0.600 -1.778 0.00 0.00 +0.032 A ATOM 33 C UNK A 0 5.559 0.336 -2.144 0.00 0.00 +0.047 A BRANCH 28 35 ATOM 34 C UNK A 0 8.975 1.319 -1.407 0.00 0.00 +0.277 C ATOM 35 O UNK A 0 7.860 0.642 -1.974 0.00 0.00 -0.495 OA ENDBRANCH 28 35 ENDBRANCH 25 31 ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C UNK A 0 2.482 -0.058 1.592 0.00 0.00 +0.251 C BRANCH 36 37 ATOM 37 C UNK A 0 2.543 -1.558 1.734 0.00 0.00 +0.324 C ATOM 38 O UNK A 0 2.129 -2.210 2.680 0.00 0.00 -0.249 OA BRANCH 37 39 ATOM 39 O UNK A 0 3.162 -2.174 0.704 0.00 0.00 -0.479 OA ATOM 40 H UNK A 0 3.108 -3.126 0.929 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 1 24 TORSDOF 15