REMARK Name = BDB045440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 2 3.110 -0.146 1.215 0.00 0.00 +0.165 C ATOM 2 C UNK A 2 3.495 -1.534 1.778 0.00 0.00 +0.237 C ATOM 3 O UNK A 2 4.522 -1.651 2.458 0.00 0.00 -0.274 OA ATOM 4 N PRO A 3 2.684 -2.629 1.540 0.00 0.00 -0.288 N ATOM 5 CA PRO A 3 1.264 -2.674 1.172 0.00 0.00 +0.162 C ATOM 6 CB PRO A 3 1.123 -4.068 0.566 0.00 0.00 +0.033 C ATOM 7 CG PRO A 3 2.047 -4.915 1.442 0.00 0.00 +0.021 C ATOM 8 C PRO A 3 0.379 -2.557 2.436 0.00 0.00 +0.234 C ATOM 9 O PRO A 3 0.846 -2.558 3.577 0.00 0.00 -0.274 OA ATOM 10 N PHE A 4 -0.980 -2.501 2.322 0.00 0.00 -0.302 N ATOM 11 H PHE A 4 -1.363 -2.314 3.248 0.00 0.00 +0.150 HD ATOM 12 CA PHE A 4 -1.780 -1.910 1.227 0.00 0.00 +0.163 C ATOM 13 C PHE A 4 -1.830 -0.401 1.551 0.00 0.00 +0.234 C ATOM 14 O PHE A 4 -1.688 0.003 2.712 0.00 0.00 -0.274 OA ATOM 15 N UNK A 5 -2.051 0.543 0.610 0.00 0.00 -0.301 N ATOM 16 H UNK A 5 -1.843 1.464 0.984 0.00 0.00 +0.150 HD ATOM 17 C UNK A 5 -2.223 0.481 -0.853 0.00 0.00 +0.186 C ATOM 18 C UNK A 5 -3.167 1.610 -1.345 0.00 0.00 +0.069 C ATOM 19 C UNK A 5 -2.767 2.986 -0.847 0.00 0.00 -0.045 A ATOM 20 C UNK A 5 -1.819 3.748 -1.539 0.00 0.00 +0.007 A ATOM 21 C UNK A 5 -1.276 4.895 -0.957 0.00 0.00 +0.046 A ATOM 22 C UNK A 5 -1.658 5.263 0.327 0.00 0.00 +0.121 A ATOM 23 C UNK A 5 -2.695 4.594 0.971 0.00 0.00 +0.046 A ATOM 24 O UNK A 5 -0.986 6.296 0.920 0.00 0.00 -0.490 OA ATOM 25 C UNK A 5 -0.243 5.870 2.078 0.00 0.00 +0.252 C ATOM 26 C UNK A 5 1.196 5.485 1.729 0.00 0.00 +0.186 C ATOM 27 N UNK A 5 1.363 4.064 1.491 0.00 0.00 -0.248 N ATOM 28 N UNK A 5 1.327 3.567 0.243 0.00 0.00 -0.065 NA ATOM 29 N UNK A 5 1.506 2.257 0.330 0.00 0.00 -0.134 NA ATOM 30 C UNK A 5 1.748 1.939 1.643 0.00 0.00 +0.085 A ATOM 31 C UNK A 5 1.650 3.086 2.402 0.00 0.00 +0.133 A ATOM 32 C UNK A 5 -3.253 3.459 0.382 0.00 0.00 +0.007 A ATOM 33 CD PRO A 3 3.183 -3.966 1.819 0.00 0.00 +0.109 C ATOM 34 C UNK A 5 2.017 0.528 2.053 0.00 0.00 +0.090 C ENDROOT BRANCH 1 36 ATOM 35 C ALA A 1 3.738 -0.347 -1.175 0.00 0.00 +0.230 C ATOM 36 N UNK A 2 2.761 -0.292 -0.201 0.00 0.00 -0.302 N ATOM 37 H UNK A 2 1.836 0.032 -0.489 0.00 0.00 +0.150 HD ATOM 38 O ALA A 1 4.939 -0.346 -0.915 0.00 0.00 -0.274 OA BRANCH 35 39 ATOM 39 CA ALA A 1 3.178 -0.395 -2.617 0.00 0.00 +0.137 C ATOM 40 CB ALA A 1 2.488 -1.733 -2.893 0.00 0.00 +0.034 C BRANCH 39 42 ATOM 41 C ACE A 0 5.135 -1.102 -3.953 0.00 0.00 +0.101 C ATOM 42 N ALA A 1 4.212 -0.022 -3.614 0.00 0.00 -0.309 NA ATOM 43 H ALA A 1 4.766 0.732 -3.192 0.00 0.00 +0.122 HD ENDBRANCH 39 42 ENDBRANCH 35 39 ENDBRANCH 1 36 BRANCH 17 44 ATOM 44 C UNK A 5 -0.859 0.465 -1.550 0.00 0.00 +0.326 C ATOM 45 O UNK A 5 0.167 -0.012 -1.081 0.00 0.00 -0.249 OA BRANCH 44 46 ATOM 46 O UNK A 5 -0.877 0.896 -2.825 0.00 0.00 -0.479 OA ATOM 47 H UNK A 5 0.053 0.852 -3.134 0.00 0.00 +0.295 HD ENDBRANCH 44 46 ENDBRANCH 17 44 BRANCH 12 48 ATOM 48 CB PHE A 4 -3.186 -2.533 1.290 0.00 0.00 +0.067 C BRANCH 48 49 ATOM 49 CG PHE A 4 -4.021 -2.374 0.047 0.00 0.00 -0.045 A ATOM 50 CD2 PHE A 4 -5.103 -1.484 0.027 0.00 0.00 +0.004 A ATOM 51 CE2 PHE A 4 -5.865 -1.325 -1.131 0.00 0.00 +0.000 A ATOM 52 CZ PHE A 4 -5.554 -2.054 -2.276 0.00 0.00 +0.000 A ATOM 53 CE1 PHE A 4 -4.486 -2.949 -2.265 0.00 0.00 +0.000 A ATOM 54 CD1 PHE A 4 -3.723 -3.112 -1.109 0.00 0.00 +0.004 A ENDBRANCH 48 49 ENDBRANCH 12 48 TORSDOF 7