REMARK Name = BDB054512 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 2 -1.450 1.445 1.649 0.00 0.00 +0.239 C ATOM 2 N PRO A 3 -0.271 1.869 2.225 0.00 0.00 -0.288 N ATOM 3 CA PRO A 3 1.054 2.013 1.614 0.00 0.00 +0.162 C ATOM 4 CB PRO A 3 1.836 2.862 2.627 0.00 0.00 +0.033 C ATOM 5 CG PRO A 3 1.212 2.460 3.960 0.00 0.00 +0.021 C ATOM 6 CD PRO A 3 -0.258 2.322 3.608 0.00 0.00 +0.109 C ATOM 7 O UNK A 2 -2.478 1.357 2.335 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 8 ATOM 8 C PRO A 3 1.774 0.665 1.403 0.00 0.00 +0.234 C ATOM 9 N VAL A 4 2.890 0.752 0.604 0.00 0.00 -0.302 N ATOM 10 H VAL A 4 3.107 1.617 0.112 0.00 0.00 +0.150 HD ATOM 11 O PRO A 3 1.405 -0.387 1.914 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 CA VAL A 4 3.797 -0.371 0.362 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 C VAL A 4 5.086 0.256 -0.214 0.00 0.00 +0.234 C ATOM 14 N PHE A 5 6.260 -0.315 0.219 0.00 0.00 -0.301 N ATOM 15 H PHE A 5 6.226 -1.223 0.674 0.00 0.00 +0.150 HD ATOM 16 O VAL A 4 5.049 1.215 -0.987 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 CA PHE A 5 7.566 0.078 -0.327 0.00 0.00 +0.186 C BRANCH 17 18 ATOM 18 C PHE A 5 8.185 -1.119 -1.052 0.00 0.00 +0.326 C ATOM 19 O PHE A 5 7.699 -2.236 -1.155 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT PHE A 5 9.369 -0.840 -1.636 0.00 0.00 -0.479 OA ATOM 21 HXT PHE A 5 9.617 -1.673 -2.092 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 BRANCH 17 22 ATOM 22 CB PHE A 5 8.493 0.655 0.752 0.00 0.00 +0.069 C BRANCH 22 23 ATOM 23 CG PHE A 5 8.776 -0.277 1.908 0.00 0.00 -0.045 A ATOM 24 CD2 PHE A 5 9.859 -1.165 1.859 0.00 0.00 +0.004 A ATOM 25 CE2 PHE A 5 10.102 -2.040 2.918 0.00 0.00 +0.000 A ATOM 26 CZ PHE A 5 9.270 -2.034 4.036 0.00 0.00 +0.000 A ATOM 27 CE1 PHE A 5 8.193 -1.153 4.097 0.00 0.00 +0.000 A ATOM 28 CD1 PHE A 5 7.948 -0.278 3.038 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 4 3.178 -1.453 -0.553 0.00 0.00 +0.012 C ATOM 30 CG2 VAL A 4 4.106 -2.659 -0.721 0.00 0.00 +0.009 C ATOM 31 CG1 VAL A 4 2.754 -0.921 -1.928 0.00 0.00 +0.009 C ENDBRANCH 12 29 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 32 ATOM 32 C UNK A 2 -1.469 1.000 0.166 0.00 0.00 +0.185 C BRANCH 32 34 ATOM 33 C UNK A 1 -3.927 1.034 -0.334 0.00 0.00 +0.234 C ATOM 34 N UNK A 2 -2.758 0.326 -0.134 0.00 0.00 -0.301 N ATOM 35 H UNK A 2 -2.877 -0.561 0.345 0.00 0.00 +0.150 HD ATOM 36 O UNK A 1 -3.949 2.264 -0.337 0.00 0.00 -0.274 OA BRANCH 33 37 ATOM 37 C UNK A 1 -5.199 0.173 -0.551 0.00 0.00 +0.163 C BRANCH 37 40 ATOM 38 C UNK A 0 -6.066 2.214 -2.734 0.00 0.00 +0.109 C ATOM 39 C UNK A 0 -6.834 1.945 -1.471 0.00 0.00 +0.211 C ATOM 40 N UNK A 1 -6.404 1.015 -0.573 0.00 0.00 -0.304 N ATOM 41 H UNK A 1 -7.012 0.963 0.237 0.00 0.00 +0.149 HD ATOM 42 O UNK A 0 -7.886 2.541 -1.229 0.00 0.00 -0.276 OA ENDBRANCH 37 40 BRANCH 37 43 ATOM 43 C UNK A 1 -5.064 -0.792 -1.742 0.00 0.00 +0.067 C BRANCH 43 44 ATOM 44 C UNK A 1 -6.156 -1.840 -1.788 0.00 0.00 -0.045 A ATOM 45 C UNK A 1 -7.370 -1.578 -2.437 0.00 0.00 +0.012 A ATOM 46 C UNK A 1 -8.401 -2.533 -2.473 0.00 0.00 -0.018 A ATOM 47 C UNK A 1 -8.203 -3.788 -1.854 0.00 0.00 -0.018 A ATOM 48 C UNK A 1 -9.231 -4.744 -1.895 0.00 0.00 +0.008 A ATOM 49 C UNK A 1 -10.442 -4.462 -2.529 0.00 0.00 +0.001 A ATOM 50 C UNK A 1 -10.641 -3.223 -3.130 0.00 0.00 +0.001 A ATOM 51 C UNK A 1 -6.985 -4.047 -1.208 0.00 0.00 +0.009 A ATOM 52 C UNK A 1 -9.626 -2.264 -3.102 0.00 0.00 +0.008 A ATOM 53 C UNK A 1 -5.975 -3.082 -1.169 0.00 0.00 +0.004 A ENDBRANCH 43 44 ENDBRANCH 37 43 ENDBRANCH 33 37 ENDBRANCH 32 34 BRANCH 32 54 ATOM 54 C UNK A 2 -1.086 2.067 -0.881 0.00 0.00 +0.204 C BRANCH 54 55 ATOM 55 O UNK A 2 -1.120 3.401 -0.401 0.00 0.00 -0.284 OA BRANCH 55 56 ATOM 56 P UNK A 2 -2.118 4.445 -1.089 0.00 0.00 +0.472 P ATOM 57 O UNK A 2 -2.580 4.173 -2.476 0.00 0.00 -0.228 OA BRANCH 56 58 ATOM 58 O UNK A 2 -3.278 4.616 -0.010 0.00 0.00 -0.303 OA ATOM 59 H UNK A 2 -3.860 3.814 -0.042 0.00 0.00 +0.222 HD ENDBRANCH 56 58 BRANCH 56 60 ATOM 60 O UNK A 2 -1.381 5.843 -0.865 0.00 0.00 -0.303 OA ATOM 61 H UNK A 2 -1.516 6.119 0.058 0.00 0.00 +0.222 HD ENDBRANCH 56 60 ENDBRANCH 55 56 ENDBRANCH 54 55 ENDBRANCH 32 54 ENDBRANCH 1 32 TORSDOF 20