REMARK Name = BDB045444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 2 2.997 0.049 -1.161 0.00 0.00 +0.163 C ATOM 2 C UNK A 2 3.742 -1.302 -1.167 0.00 0.00 +0.237 C ATOM 3 O UNK A 2 4.835 -1.413 -0.600 0.00 0.00 -0.274 OA ATOM 4 N PRO A 3 3.190 -2.357 -1.863 0.00 0.00 -0.288 N ATOM 5 CA PRO A 3 1.943 -2.360 -2.643 0.00 0.00 +0.162 C ATOM 6 CB PRO A 3 2.066 -3.601 -3.530 0.00 0.00 +0.033 C ATOM 7 CG PRO A 3 2.946 -4.544 -2.715 0.00 0.00 +0.021 C ATOM 8 C PRO A 3 0.687 -2.458 -1.758 0.00 0.00 +0.234 C ATOM 9 O PRO A 3 -0.420 -2.128 -2.177 0.00 0.00 -0.274 OA ATOM 10 N PHE A 4 0.885 -3.055 -0.537 0.00 0.00 -0.302 N ATOM 11 H PHE A 4 1.842 -3.103 -0.197 0.00 0.00 +0.150 HD ATOM 12 CA PHE A 4 -0.161 -3.100 0.489 0.00 0.00 +0.163 C ATOM 13 C PHE A 4 0.330 -2.175 1.617 0.00 0.00 +0.234 C ATOM 14 O PHE A 4 1.538 -1.917 1.732 0.00 0.00 -0.274 OA ATOM 15 N UNK A 5 -0.495 -1.602 2.533 0.00 0.00 -0.301 N ATOM 16 H UNK A 5 0.076 -1.065 3.178 0.00 0.00 +0.150 HD ATOM 17 C UNK A 5 -1.837 -1.925 3.041 0.00 0.00 +0.186 C ATOM 18 C UNK A 5 -2.983 -2.119 2.038 0.00 0.00 +0.069 C ATOM 19 C UNK A 5 -3.608 -0.824 1.566 0.00 0.00 -0.045 A ATOM 20 C UNK A 5 -4.988 -0.631 1.705 0.00 0.00 +0.007 A ATOM 21 C UNK A 5 -5.586 0.551 1.265 0.00 0.00 +0.046 A ATOM 22 C UNK A 5 -4.827 1.562 0.675 0.00 0.00 +0.121 A ATOM 23 C UNK A 5 -3.457 1.373 0.519 0.00 0.00 +0.046 A ATOM 24 O UNK A 5 -5.553 2.656 0.300 0.00 0.00 -0.492 OA ATOM 25 C UNK A 5 -4.881 3.791 -0.249 0.00 0.00 +0.231 C ATOM 26 C UNK A 5 -4.388 4.699 0.878 0.00 0.00 +0.064 C ATOM 27 C UNK A 5 -4.003 6.094 0.399 0.00 0.00 +0.148 C ATOM 28 N UNK A 5 -2.849 6.112 -0.468 0.00 0.00 -0.251 N ATOM 29 N UNK A 5 -2.993 5.934 -1.790 0.00 0.00 -0.065 NA ATOM 30 N UNK A 5 -1.788 6.016 -2.336 0.00 0.00 -0.131 NA ATOM 31 C UNK A 5 -0.877 6.256 -1.335 0.00 0.00 +0.120 A ATOM 32 C UNK A 5 0.577 6.428 -1.610 0.00 0.00 +0.287 C ATOM 33 O UNK A 5 0.987 5.931 -2.896 0.00 0.00 -0.486 OA ATOM 34 C UNK A 5 1.575 4.702 -2.772 0.00 0.00 +0.121 A ATOM 35 C UNK A 5 2.957 4.623 -2.629 0.00 0.00 +0.046 A ATOM 36 C UNK A 5 3.564 3.374 -2.501 0.00 0.00 +0.007 A ATOM 37 C UNK A 5 2.793 2.202 -2.532 0.00 0.00 -0.045 A ATOM 38 C UNK A 5 1.405 2.301 -2.716 0.00 0.00 +0.007 A ATOM 39 C UNK A 5 0.797 3.551 -2.839 0.00 0.00 +0.046 A ATOM 40 C UNK A 5 -1.548 6.317 -0.130 0.00 0.00 +0.137 A ATOM 41 C UNK A 5 -2.852 0.184 0.952 0.00 0.00 +0.007 A ATOM 42 CD PRO A 3 3.924 -3.600 -2.034 0.00 0.00 +0.109 C ATOM 43 C UNK A 5 3.461 0.855 -2.385 0.00 0.00 +0.067 C ENDROOT BRANCH 1 45 ATOM 44 C ALA A 1 2.412 1.215 0.961 0.00 0.00 +0.230 C ATOM 45 N UNK A 2 3.355 0.723 0.086 0.00 0.00 -0.302 N ATOM 46 H UNK A 2 4.301 0.563 0.419 0.00 0.00 +0.150 HD ATOM 47 O ALA A 1 1.200 1.190 0.745 0.00 0.00 -0.274 OA BRANCH 44 48 ATOM 48 CA ALA A 1 3.011 1.790 2.268 0.00 0.00 +0.137 C ATOM 49 CB ALA A 1 3.006 0.681 3.319 0.00 0.00 +0.034 C BRANCH 48 51 ATOM 50 C ACE A 0 2.625 3.570 3.914 0.00 0.00 +0.101 C ATOM 51 N ALA A 1 2.244 2.995 2.638 0.00 0.00 -0.309 NA ATOM 52 H ALA A 1 1.250 2.760 2.622 0.00 0.00 +0.122 HD ENDBRANCH 48 51 ENDBRANCH 44 48 ENDBRANCH 1 45 BRANCH 17 53 ATOM 53 C UNK A 5 -1.770 -3.088 4.044 0.00 0.00 +0.326 C ATOM 54 O UNK A 5 -0.888 -3.936 4.068 0.00 0.00 -0.249 OA BRANCH 53 55 ATOM 55 O UNK A 5 -2.791 -3.103 4.933 0.00 0.00 -0.479 OA ATOM 56 H UNK A 5 -3.429 -2.369 4.859 0.00 0.00 +0.295 HD ENDBRANCH 53 55 ENDBRANCH 17 53 BRANCH 12 57 ATOM 57 CB PHE A 4 -0.373 -4.532 0.998 0.00 0.00 +0.067 C BRANCH 57 58 ATOM 58 CG PHE A 4 -0.614 -5.598 -0.054 0.00 0.00 -0.045 A ATOM 59 CD2 PHE A 4 -1.390 -5.363 -1.197 0.00 0.00 +0.004 A ATOM 60 CE2 PHE A 4 -1.602 -6.377 -2.134 0.00 0.00 +0.000 A ATOM 61 CZ PHE A 4 -1.061 -7.644 -1.930 0.00 0.00 +0.000 A ATOM 62 CE1 PHE A 4 -0.313 -7.900 -0.785 0.00 0.00 +0.000 A ATOM 63 CD1 PHE A 4 -0.095 -6.886 0.149 0.00 0.00 +0.004 A ENDBRANCH 57 58 ENDBRANCH 12 57 TORSDOF 7