REMARK Name = BDB045436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C VAL A 2 3.137 -1.315 -1.506 0.00 0.00 +0.237 C ATOM 2 N UNK A 3 1.841 -1.499 -1.938 0.00 0.00 -0.286 N ATOM 3 C UNK A 3 0.695 -0.626 -1.673 0.00 0.00 +0.164 C ATOM 4 C UNK A 3 0.243 -0.770 -0.202 0.00 0.00 +0.234 C ATOM 5 N PHE A 4 -0.373 0.234 0.475 0.00 0.00 -0.302 N ATOM 6 H PHE A 4 -0.523 -0.034 1.442 0.00 0.00 +0.150 HD ATOM 7 CA PHE A 4 -0.697 1.629 0.145 0.00 0.00 +0.163 C ATOM 8 C PHE A 4 -1.796 1.639 -0.931 0.00 0.00 +0.234 C ATOM 9 N UNK A 5 -3.110 1.508 -0.566 0.00 0.00 -0.301 N ATOM 10 H UNK A 5 -3.727 1.607 -1.368 0.00 0.00 +0.150 HD ATOM 11 C UNK A 5 -3.699 1.849 0.738 0.00 0.00 +0.186 C ATOM 12 C UNK A 5 -5.063 1.172 0.964 0.00 0.00 +0.069 C ATOM 13 C UNK A 5 -5.073 -0.320 1.234 0.00 0.00 -0.045 A ATOM 14 C UNK A 5 -6.302 -0.943 1.486 0.00 0.00 +0.005 A ATOM 15 C UNK A 5 -6.375 -2.319 1.732 0.00 0.00 +0.023 A ATOM 16 C UNK A 5 -5.227 -3.116 1.709 0.00 0.00 +0.033 A ATOM 17 N UNK A 5 -5.407 -4.494 1.919 0.00 0.00 -0.285 N ATOM 18 H UNK A 5 -6.297 -4.771 2.322 0.00 0.00 +0.155 HD ATOM 19 C UNK A 5 -4.660 -5.601 1.637 0.00 0.00 +0.218 C ATOM 20 C UNK A 5 -3.410 -5.554 0.791 0.00 0.00 +0.102 C ATOM 21 C UNK A 5 -3.733 -5.169 -0.649 0.00 0.00 +0.068 C ATOM 22 C UNK A 5 -2.541 -4.720 -1.408 0.00 0.00 +0.083 A ATOM 23 N UNK A 5 -1.877 -5.556 -2.261 0.00 0.00 -0.134 NA ATOM 24 N UNK A 5 -0.901 -4.869 -2.837 0.00 0.00 -0.065 NA ATOM 25 N UNK A 5 -0.938 -3.614 -2.349 0.00 0.00 -0.247 N ATOM 26 C UNK A 5 -0.028 -2.629 -2.891 0.00 0.00 +0.128 C ATOM 27 C UNK A 5 -1.942 -3.479 -1.441 0.00 0.00 +0.134 A ATOM 28 O UNK A 5 -5.086 -6.688 2.044 0.00 0.00 -0.275 OA ATOM 29 C UNK A 5 -4.001 -2.494 1.506 0.00 0.00 +0.023 A ATOM 30 C UNK A 5 -3.925 -1.115 1.263 0.00 0.00 +0.005 A ATOM 31 O PHE A 4 -1.522 1.630 -2.133 0.00 0.00 -0.274 OA ATOM 32 O UNK A 3 0.370 -1.837 0.406 0.00 0.00 -0.274 OA ATOM 33 C UNK A 3 -0.369 -1.145 -2.638 0.00 0.00 +0.060 C ATOM 34 C UNK A 5 1.399 -2.814 -2.376 0.00 0.00 +0.135 C ATOM 35 O VAL A 2 3.968 -2.230 -1.542 0.00 0.00 -0.274 OA ENDROOT BRANCH 11 36 ATOM 36 C UNK A 5 -3.905 3.362 0.757 0.00 0.00 +0.326 C ATOM 37 O UNK A 5 -4.407 4.035 -0.129 0.00 0.00 -0.249 OA BRANCH 36 38 ATOM 38 O UNK A 5 -3.432 3.934 1.882 0.00 0.00 -0.479 OA ATOM 39 H UNK A 5 -3.534 4.900 1.736 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 11 36 BRANCH 1 40 ATOM 40 CA VAL A 2 3.562 0.093 -1.036 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C ALA A 1 4.580 0.383 1.200 0.00 0.00 +0.230 C ATOM 42 N VAL A 2 4.665 -0.079 -0.095 0.00 0.00 -0.302 N ATOM 43 H VAL A 2 5.270 -0.874 -0.285 0.00 0.00 +0.150 HD ATOM 44 O ALA A 1 3.675 1.121 1.589 0.00 0.00 -0.274 OA BRANCH 41 45 ATOM 45 CA ALA A 1 5.712 -0.115 2.123 0.00 0.00 +0.137 C ATOM 46 CB ALA A 1 5.300 -1.460 2.715 0.00 0.00 +0.034 C BRANCH 45 48 ATOM 47 C ACE A 0 6.660 2.031 2.755 0.00 0.00 +0.101 C ATOM 48 N ALA A 1 5.948 0.847 3.222 0.00 0.00 -0.309 NA ATOM 49 H ALA A 1 5.031 1.136 3.575 0.00 0.00 +0.122 HD ENDBRANCH 45 48 ENDBRANCH 41 45 ENDBRANCH 40 42 BRANCH 40 50 ATOM 50 CB VAL A 2 3.929 1.005 -2.228 0.00 0.00 +0.012 C ATOM 51 CG2 VAL A 2 5.128 0.496 -3.036 0.00 0.00 +0.009 C ATOM 52 CG1 VAL A 2 4.196 2.441 -1.763 0.00 0.00 +0.009 C ENDBRANCH 40 50 ENDBRANCH 1 40 BRANCH 7 53 ATOM 53 CB PHE A 4 0.500 2.515 -0.227 0.00 0.00 +0.067 C BRANCH 53 54 ATOM 54 CG PHE A 4 0.188 3.974 0.029 0.00 0.00 -0.045 A ATOM 55 CD2 PHE A 4 -0.475 4.744 -0.937 0.00 0.00 +0.004 A ATOM 56 CE2 PHE A 4 -0.808 6.073 -0.675 0.00 0.00 +0.000 A ATOM 57 CZ PHE A 4 -0.479 6.647 0.552 0.00 0.00 +0.000 A ATOM 58 CE1 PHE A 4 0.185 5.892 1.516 0.00 0.00 +0.000 A ATOM 59 CD1 PHE A 4 0.517 4.561 1.258 0.00 0.00 +0.004 A ENDBRANCH 53 54 ENDBRANCH 7 53 TORSDOF 9