REMARK Name = BDB045441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 2 3.143 0.396 1.129 0.00 0.00 +0.159 C ATOM 2 C UNK A 2 2.377 -0.939 1.338 0.00 0.00 +0.237 C ATOM 3 O UNK A 2 1.477 -1.047 2.172 0.00 0.00 -0.274 OA ATOM 4 N PRO A 3 2.686 -1.969 0.419 0.00 0.00 -0.288 N ATOM 5 CA PRO A 3 1.577 -2.877 0.072 0.00 0.00 +0.162 C ATOM 6 CB PRO A 3 1.561 -3.892 1.211 0.00 0.00 +0.033 C ATOM 7 CG PRO A 3 3.014 -3.946 1.690 0.00 0.00 +0.021 C ATOM 8 C PRO A 3 0.264 -2.145 -0.294 0.00 0.00 +0.234 C ATOM 9 O PRO A 3 0.227 -0.954 -0.621 0.00 0.00 -0.274 OA ATOM 10 N PHE A 4 -0.927 -2.804 -0.348 0.00 0.00 -0.302 N ATOM 11 H PHE A 4 -1.640 -2.131 -0.575 0.00 0.00 +0.150 HD ATOM 12 CA PHE A 4 -1.144 -4.181 -0.799 0.00 0.00 +0.163 C ATOM 13 C PHE A 4 -1.386 -4.265 -2.321 0.00 0.00 +0.234 C ATOM 14 O PHE A 4 -0.865 -5.177 -2.970 0.00 0.00 -0.274 OA ATOM 15 N UNK A 5 -2.228 -3.430 -2.987 0.00 0.00 -0.301 N ATOM 16 H UNK A 5 -2.325 -3.713 -3.962 0.00 0.00 +0.150 HD ATOM 17 C UNK A 5 -3.273 -2.504 -2.522 0.00 0.00 +0.186 C ATOM 18 C UNK A 5 -2.972 -1.080 -3.011 0.00 0.00 +0.069 C ATOM 19 C UNK A 5 -3.736 -0.028 -2.243 0.00 0.00 -0.045 A ATOM 20 C UNK A 5 -3.199 0.527 -1.075 0.00 0.00 +0.007 A ATOM 21 C UNK A 5 -3.914 1.481 -0.342 0.00 0.00 +0.046 A ATOM 22 C UNK A 5 -5.181 1.883 -0.759 0.00 0.00 +0.121 A ATOM 23 C UNK A 5 -5.705 1.356 -1.940 0.00 0.00 +0.046 A ATOM 24 O UNK A 5 -5.971 2.812 -0.144 0.00 0.00 -0.490 OA ATOM 25 C UNK A 5 -5.826 2.993 1.269 0.00 0.00 +0.252 C ATOM 26 C UNK A 5 -5.463 4.442 1.576 0.00 0.00 +0.186 C ATOM 27 N UNK A 5 -4.085 4.745 1.265 0.00 0.00 -0.248 N ATOM 28 N UNK A 5 -3.093 4.180 1.971 0.00 0.00 -0.065 NA ATOM 29 N UNK A 5 -1.948 4.600 1.452 0.00 0.00 -0.135 NA ATOM 30 C UNK A 5 -2.233 5.478 0.439 0.00 0.00 +0.083 A ATOM 31 C UNK A 5 -1.154 6.116 -0.355 0.00 0.00 +0.068 C ATOM 32 C UNK A 5 -0.333 7.144 0.412 0.00 0.00 +0.102 C ATOM 33 C UNK A 5 0.459 6.602 1.584 0.00 0.00 +0.213 C ATOM 34 O UNK A 5 0.186 6.937 2.739 0.00 0.00 -0.276 OA ATOM 35 N UNK A 2 1.530 5.786 1.377 0.00 0.00 -0.315 N ATOM 36 H UNK A 2 1.957 5.484 2.246 0.00 0.00 +0.149 HD ATOM 37 C UNK A 2 2.097 5.292 0.137 0.00 0.00 +0.104 C ATOM 38 C UNK A 2 1.754 3.822 -0.097 0.00 0.00 +0.019 C ATOM 39 C UNK A 2 2.649 2.870 0.703 0.00 0.00 +0.004 C ATOM 40 C UNK A 5 -3.600 5.582 0.307 0.00 0.00 +0.133 A ATOM 41 C UNK A 5 -4.992 0.410 -2.681 0.00 0.00 +0.007 A ATOM 42 CD PRO A 3 3.737 -2.832 0.932 0.00 0.00 +0.109 C ATOM 43 C UNK A 2 2.152 1.427 0.564 0.00 0.00 +0.032 C ENDROOT BRANCH 1 45 ATOM 44 C ALA A 1 5.574 0.031 0.651 0.00 0.00 +0.230 C ATOM 45 N UNK A 2 4.290 0.291 0.233 0.00 0.00 -0.303 N ATOM 46 H UNK A 2 4.126 0.207 -0.766 0.00 0.00 +0.149 HD ATOM 47 O ALA A 1 5.887 -0.086 1.831 0.00 0.00 -0.274 OA BRANCH 44 48 ATOM 48 CA ALA A 1 6.557 -0.210 -0.524 0.00 0.00 +0.137 C ATOM 49 CB ALA A 1 8.000 -0.015 -0.061 0.00 0.00 +0.034 C BRANCH 48 51 ATOM 50 C ACE A 0 6.793 0.266 -2.912 0.00 0.00 +0.101 C ATOM 51 N ALA A 1 6.184 0.676 -1.656 0.00 0.00 -0.309 NA ATOM 52 H ALA A 1 6.462 1.632 -1.432 0.00 0.00 +0.122 HD ENDBRANCH 48 51 ENDBRANCH 44 48 ENDBRANCH 1 45 BRANCH 17 53 ATOM 53 C UNK A 5 -4.608 -2.998 -3.095 0.00 0.00 +0.326 C ATOM 54 O UNK A 5 -4.706 -3.627 -4.140 0.00 0.00 -0.249 OA BRANCH 53 55 ATOM 55 O UNK A 5 -5.690 -2.672 -2.349 0.00 0.00 -0.479 OA ATOM 56 H UNK A 5 -5.510 -2.094 -1.583 0.00 0.00 +0.295 HD ENDBRANCH 53 55 ENDBRANCH 17 53 BRANCH 12 57 ATOM 57 CB PHE A 4 -2.303 -4.868 -0.059 0.00 0.00 +0.067 C BRANCH 57 58 ATOM 58 CG PHE A 4 -1.916 -5.305 1.334 0.00 0.00 -0.045 A ATOM 59 CD2 PHE A 4 -1.984 -4.409 2.409 0.00 0.00 +0.004 A ATOM 60 CE2 PHE A 4 -1.589 -4.807 3.688 0.00 0.00 +0.000 A ATOM 61 CZ PHE A 4 -1.124 -6.102 3.904 0.00 0.00 +0.000 A ATOM 62 CE1 PHE A 4 -1.055 -7.003 2.842 0.00 0.00 +0.000 A ATOM 63 CD1 PHE A 4 -1.447 -6.607 1.562 0.00 0.00 +0.004 A ENDBRANCH 57 58 ENDBRANCH 12 57 TORSDOF 7