REMARK Name = BDB053321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C PRO A 2 -1.237 -2.193 0.184 0.00 0.00 +0.234 C ATOM 2 N VAL A 3 0.041 -2.535 -0.200 0.00 0.00 -0.302 N ATOM 3 H VAL A 3 0.288 -2.471 -1.183 0.00 0.00 +0.150 HD ATOM 4 O PRO A 2 -1.532 -1.969 1.357 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C UNK A 1 -3.125 0.022 -0.523 0.00 0.00 +0.239 C ATOM 6 N PRO A 2 -3.423 -1.311 -0.837 0.00 0.00 -0.288 N ATOM 7 CA PRO A 2 -2.304 -2.252 -0.935 0.00 0.00 +0.162 C ATOM 8 CB PRO A 2 -1.888 -2.120 -2.393 0.00 0.00 +0.033 C ATOM 9 CG PRO A 2 -3.217 -1.857 -3.121 0.00 0.00 +0.021 C ATOM 10 CD PRO A 2 -4.238 -1.538 -2.019 0.00 0.00 +0.109 C ATOM 11 O UNK A 1 -1.975 0.449 -0.399 0.00 0.00 -0.273 OA BRANCH 5 12 ATOM 12 C UNK A 1 -4.333 0.940 -0.278 0.00 0.00 +0.185 C BRANCH 12 15 ATOM 13 C UNK A 0 -4.660 2.543 3.169 0.00 0.00 +0.109 C ATOM 14 C UNK A 0 -5.112 1.913 1.880 0.00 0.00 +0.211 C ATOM 15 N UNK A 1 -4.105 1.587 1.014 0.00 0.00 -0.302 N ATOM 16 H UNK A 1 -3.136 1.739 1.282 0.00 0.00 +0.150 HD ATOM 17 O UNK A 0 -6.299 1.722 1.623 0.00 0.00 -0.276 OA ENDBRANCH 12 15 BRANCH 12 18 ATOM 18 C UNK A 1 -4.416 1.962 -1.421 0.00 0.00 +0.204 C BRANCH 18 19 ATOM 19 O UNK A 1 -5.767 2.246 -1.764 0.00 0.00 -0.284 OA BRANCH 19 20 ATOM 20 P UNK A 1 -6.519 3.424 -0.983 0.00 0.00 +0.472 P ATOM 21 O UNK A 1 -5.712 4.327 -0.117 0.00 0.00 -0.228 OA BRANCH 20 22 ATOM 22 O UNK A 1 -7.345 4.149 -2.142 0.00 0.00 -0.303 OA ATOM 23 H UNK A 1 -8.074 3.572 -2.430 0.00 0.00 +0.222 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 O UNK A 1 -7.716 2.678 -0.236 0.00 0.00 -0.303 OA ATOM 25 H UNK A 1 -7.378 2.278 0.604 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 VAL A 3 1.177 -2.400 0.716 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 C VAL A 3 2.202 -1.499 -0.009 0.00 0.00 +0.234 C ATOM 28 N PHE A 4 3.059 -0.795 0.806 0.00 0.00 -0.301 N ATOM 29 H PHE A 4 3.194 -1.146 1.748 0.00 0.00 +0.150 HD ATOM 30 O VAL A 3 2.244 -1.420 -1.238 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 CA PHE A 4 4.183 -0.048 0.230 0.00 0.00 +0.186 C BRANCH 31 32 ATOM 32 C PHE A 4 5.382 -1.001 0.142 0.00 0.00 +0.326 C ATOM 33 O PHE A 4 5.586 -1.909 0.940 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 OXT PHE A 4 6.232 -0.740 -0.877 0.00 0.00 -0.479 OA ATOM 35 HXT PHE A 4 5.987 0.039 -1.417 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 CB PHE A 4 4.535 1.160 1.106 0.00 0.00 +0.069 C BRANCH 36 37 ATOM 37 CG PHE A 4 5.437 2.139 0.393 0.00 0.00 -0.045 A ATOM 38 CD2 PHE A 4 4.909 3.024 -0.557 0.00 0.00 +0.004 A ATOM 39 CE2 PHE A 4 5.746 3.903 -1.246 0.00 0.00 +0.000 A ATOM 40 CZ PHE A 4 7.117 3.902 -0.994 0.00 0.00 +0.000 A ATOM 41 CE1 PHE A 4 7.651 3.028 -0.050 0.00 0.00 +0.000 A ATOM 42 CD1 PHE A 4 6.816 2.150 0.643 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 VAL A 3 1.711 -3.794 1.111 0.00 0.00 +0.012 C ATOM 44 CG2 VAL A 3 2.623 -3.748 2.337 0.00 0.00 +0.009 C ATOM 45 CG1 VAL A 3 2.413 -4.521 -0.040 0.00 0.00 +0.009 C ENDBRANCH 26 43 ENDBRANCH 2 26 TORSDOF 16