REMARK Name = BDB054517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 0.814 0.771 -1.939 0.00 0.00 +0.239 C ATOM 2 N PRO A 2 0.331 -0.512 -2.101 0.00 0.00 -0.288 N ATOM 3 CA PRO A 2 -1.112 -0.720 -2.220 0.00 0.00 +0.162 C ATOM 4 CB PRO A 2 -1.247 -2.121 -2.815 0.00 0.00 +0.033 C ATOM 5 CG PRO A 2 -0.022 -2.846 -2.266 0.00 0.00 +0.021 C ATOM 6 CD PRO A 2 1.052 -1.767 -2.286 0.00 0.00 +0.109 C ATOM 7 O UNK A 1 0.059 1.743 -2.055 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 8 ATOM 8 C PRO A 2 -1.773 -0.660 -0.825 0.00 0.00 +0.234 C ATOM 9 N VAL A 3 -3.132 -0.451 -0.861 0.00 0.00 -0.302 N ATOM 10 H VAL A 3 -3.601 -0.252 -1.742 0.00 0.00 +0.150 HD ATOM 11 O PRO A 2 -1.155 -0.846 0.224 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 CA VAL A 3 -3.958 -0.398 0.342 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 C VAL A 3 -5.408 -0.697 -0.107 0.00 0.00 +0.234 C ATOM 14 N PHE A 4 -6.224 -1.210 0.882 0.00 0.00 -0.301 N ATOM 15 H PHE A 4 -5.740 -1.638 1.663 0.00 0.00 +0.150 HD ATOM 16 O VAL A 3 -5.788 -0.475 -1.257 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 CA PHE A 4 -7.560 -1.757 0.603 0.00 0.00 +0.186 C BRANCH 17 18 ATOM 18 C PHE A 4 -7.423 -3.148 -0.050 0.00 0.00 +0.326 C ATOM 19 O PHE A 4 -6.357 -3.670 -0.350 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT PHE A 4 -8.591 -3.820 -0.188 0.00 0.00 -0.479 OA ATOM 21 HXT PHE A 4 -9.392 -3.357 0.120 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 BRANCH 17 22 ATOM 22 CB PHE A 4 -8.513 -0.835 -0.180 0.00 0.00 +0.069 C BRANCH 22 23 ATOM 23 CG PHE A 4 -8.774 0.488 0.504 0.00 0.00 -0.045 A ATOM 24 CD2 PHE A 4 -8.304 1.678 -0.067 0.00 0.00 +0.004 A ATOM 25 CE2 PHE A 4 -8.537 2.905 0.555 0.00 0.00 +0.000 A ATOM 26 CZ PHE A 4 -9.245 2.956 1.754 0.00 0.00 +0.000 A ATOM 27 CE1 PHE A 4 -9.723 1.781 2.330 0.00 0.00 +0.000 A ATOM 28 CD1 PHE A 4 -9.493 0.552 1.708 0.00 0.00 +0.004 A ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 14 17 ENDBRANCH 12 13 BRANCH 12 29 ATOM 29 CB VAL A 3 -3.793 0.945 1.092 0.00 0.00 +0.012 C ATOM 30 CG2 VAL A 3 -4.464 0.927 2.469 0.00 0.00 +0.009 C ATOM 31 CG1 VAL A 3 -4.284 2.150 0.283 0.00 0.00 +0.009 C ENDBRANCH 12 29 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 32 ATOM 32 C UNK A 1 2.304 0.996 -1.626 0.00 0.00 +0.185 C BRANCH 32 34 ATOM 33 C UNK A 0 3.671 0.677 0.426 0.00 0.00 +0.214 C ATOM 34 N UNK A 1 2.673 0.249 -0.422 0.00 0.00 -0.302 N ATOM 35 H UNK A 1 1.979 -0.385 -0.039 0.00 0.00 +0.150 HD ATOM 36 O UNK A 0 4.368 1.662 0.203 0.00 0.00 -0.276 OA BRANCH 33 37 ATOM 37 C UNK A 0 3.807 -0.202 1.655 0.00 0.00 +0.100 C BRANCH 37 38 ATOM 38 C UNK A 0 4.881 0.278 2.630 0.00 0.00 +0.044 C BRANCH 38 42 ATOM 39 C UNK A 0 8.899 -0.345 1.149 0.00 0.00 +0.161 A ATOM 40 C UNK A 0 8.362 0.957 1.205 0.00 0.00 +0.162 A ATOM 41 C UNK A 0 7.067 1.148 1.703 0.00 0.00 +0.053 A ATOM 42 C UNK A 0 6.293 0.060 2.135 0.00 0.00 -0.043 A ATOM 43 C UNK A 0 6.838 -1.226 2.077 0.00 0.00 +0.007 A ATOM 44 C UNK A 0 8.132 -1.428 1.590 0.00 0.00 +0.049 A BRANCH 40 45 ATOM 45 O UNK A 0 9.162 1.966 0.722 0.00 0.00 -0.491 OA ATOM 46 C UNK A 0 8.649 3.290 0.765 0.00 0.00 +0.277 C ENDBRANCH 40 45 BRANCH 39 48 ATOM 47 C UNK A 0 10.743 -1.749 0.564 0.00 0.00 +0.277 C ATOM 48 O UNK A 0 10.171 -0.450 0.644 0.00 0.00 -0.491 OA ENDBRANCH 39 48 ENDBRANCH 38 42 ENDBRANCH 37 38 ENDBRANCH 33 37 ENDBRANCH 32 34 BRANCH 32 49 ATOM 49 C UNK A 1 3.168 0.688 -2.853 0.00 0.00 +0.204 C BRANCH 49 50 ATOM 50 O UNK A 1 4.508 1.127 -2.670 0.00 0.00 -0.284 OA BRANCH 50 51 ATOM 51 P UNK A 1 5.612 -0.010 -2.453 0.00 0.00 +0.472 P ATOM 52 O UNK A 1 5.306 -1.127 -1.517 0.00 0.00 -0.228 OA BRANCH 51 53 ATOM 53 O UNK A 1 5.963 -0.466 -3.945 0.00 0.00 -0.303 OA ATOM 54 H UNK A 1 6.490 0.226 -4.383 0.00 0.00 +0.222 HD ENDBRANCH 51 53 BRANCH 51 55 ATOM 55 O UNK A 1 6.946 0.787 -2.094 0.00 0.00 -0.303 OA ATOM 56 H UNK A 1 6.999 0.931 -1.127 0.00 0.00 +0.222 HD ENDBRANCH 51 55 ENDBRANCH 50 51 ENDBRANCH 49 50 ENDBRANCH 32 49 ENDBRANCH 1 32 TORSDOF 21