REMARK Name = BDB053320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C PRO A 2 -0.715 -0.661 -0.305 0.00 0.00 +0.234 C ATOM 2 N THR A 3 0.519 -1.233 -0.067 0.00 0.00 -0.300 N ATOM 3 H THR A 3 0.707 -2.125 -0.512 0.00 0.00 +0.150 HD ATOM 4 O PRO A 2 -0.941 0.535 -0.133 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C UNK A 1 -3.822 -1.054 0.379 0.00 0.00 +0.239 C ATOM 6 N PRO A 2 -3.105 -1.073 -0.795 0.00 0.00 -0.288 N ATOM 7 CA PRO A 2 -1.768 -1.655 -0.845 0.00 0.00 +0.162 C ATOM 8 CB PRO A 2 -1.542 -1.936 -2.332 0.00 0.00 +0.033 C ATOM 9 CG PRO A 2 -2.357 -0.842 -3.017 0.00 0.00 +0.021 C ATOM 10 CD PRO A 2 -3.577 -0.702 -2.120 0.00 0.00 +0.109 C ATOM 11 O UNK A 1 -3.371 -1.541 1.421 0.00 0.00 -0.273 OA BRANCH 5 12 ATOM 12 C UNK A 1 -5.180 -0.332 0.372 0.00 0.00 +0.185 C BRANCH 12 15 ATOM 13 C UNK A 0 -7.358 -2.733 2.327 0.00 0.00 +0.109 C ATOM 14 C UNK A 0 -6.763 -2.060 1.119 0.00 0.00 +0.211 C ATOM 15 N UNK A 1 -6.021 -0.938 1.411 0.00 0.00 -0.302 N ATOM 16 H UNK A 1 -5.629 -0.895 2.347 0.00 0.00 +0.150 HD ATOM 17 O UNK A 0 -6.932 -2.486 -0.018 0.00 0.00 -0.276 OA ENDBRANCH 12 15 BRANCH 12 18 ATOM 18 C UNK A 1 -4.933 1.155 0.643 0.00 0.00 +0.204 C BRANCH 18 19 ATOM 19 O UNK A 1 -6.109 1.897 0.340 0.00 0.00 -0.284 OA BRANCH 19 20 ATOM 20 P UNK A 1 -6.891 2.635 1.520 0.00 0.00 +0.472 P ATOM 21 O UNK A 1 -8.117 3.386 1.132 0.00 0.00 -0.228 OA BRANCH 20 22 ATOM 22 O UNK A 1 -5.802 3.553 2.238 0.00 0.00 -0.303 OA ATOM 23 H UNK A 1 -6.236 4.282 2.718 0.00 0.00 +0.222 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 O UNK A 1 -7.176 1.510 2.616 0.00 0.00 -0.303 OA ATOM 25 H UNK A 1 -7.969 0.999 2.369 0.00 0.00 +0.222 HD ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 26 ATOM 26 CA THR A 3 1.701 -0.408 0.191 0.00 0.00 +0.187 C BRANCH 26 27 ATOM 27 C THR A 3 2.635 -0.525 -1.034 0.00 0.00 +0.237 C ATOM 28 N PHE A 4 3.740 0.298 -0.995 0.00 0.00 -0.300 N ATOM 29 H PHE A 4 4.031 0.567 -0.050 0.00 0.00 +0.150 HD ATOM 30 O THR A 3 2.408 -1.289 -1.974 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 CA PHE A 4 4.807 0.159 -1.981 0.00 0.00 +0.186 C BRANCH 31 32 ATOM 32 C PHE A 4 5.761 -0.975 -1.576 0.00 0.00 +0.326 C ATOM 33 O PHE A 4 5.991 -1.317 -0.423 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 OXT PHE A 4 6.370 -1.577 -2.628 0.00 0.00 -0.479 OA ATOM 35 HXT PHE A 4 6.054 -1.281 -3.504 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 CB PHE A 4 5.574 1.470 -2.216 0.00 0.00 +0.069 C BRANCH 36 37 ATOM 37 CG PHE A 4 6.180 2.101 -0.983 0.00 0.00 -0.045 A ATOM 38 CD2 PHE A 4 7.469 1.752 -0.560 0.00 0.00 +0.004 A ATOM 39 CE2 PHE A 4 8.017 2.328 0.588 0.00 0.00 +0.000 A ATOM 40 CZ PHE A 4 7.282 3.255 1.324 0.00 0.00 +0.000 A ATOM 41 CE1 PHE A 4 5.999 3.609 0.913 0.00 0.00 +0.000 A ATOM 42 CD1 PHE A 4 5.450 3.037 -0.235 0.00 0.00 +0.004 A ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 28 31 ENDBRANCH 26 27 BRANCH 26 43 ATOM 43 CB THR A 3 2.410 -0.800 1.503 0.00 0.00 +0.141 C ATOM 44 CG2 THR A 3 2.971 -2.219 1.506 0.00 0.00 +0.040 C BRANCH 43 45 ATOM 45 OG1 THR A 3 3.468 0.131 1.772 0.00 0.00 -0.390 OA ATOM 46 HG1 THR A 3 3.935 -0.175 2.572 0.00 0.00 +0.210 HD ENDBRANCH 43 45 ENDBRANCH 26 43 ENDBRANCH 2 26 TORSDOF 17