REMARK Name = BDB045445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 2 2.519 -0.043 -0.824 0.00 0.00 +0.163 C ATOM 2 C UNK A 2 2.567 -1.319 -1.689 0.00 0.00 +0.237 C ATOM 3 O UNK A 2 3.173 -1.288 -2.774 0.00 0.00 -0.274 OA ATOM 4 N PRO A 3 1.873 -2.473 -1.326 0.00 0.00 -0.288 N ATOM 5 CA PRO A 3 1.286 -2.844 -0.028 0.00 0.00 +0.162 C ATOM 6 CB PRO A 3 2.444 -3.578 0.640 0.00 0.00 +0.033 C ATOM 7 CG PRO A 3 3.058 -4.371 -0.521 0.00 0.00 +0.021 C ATOM 8 C PRO A 3 0.426 -2.029 0.961 0.00 0.00 +0.234 C ATOM 9 O PRO A 3 0.373 -0.805 1.004 0.00 0.00 -0.274 OA ATOM 10 N PHE A 4 -0.300 -2.721 1.908 0.00 0.00 -0.302 N ATOM 11 H PHE A 4 -0.678 -2.060 2.578 0.00 0.00 +0.150 HD ATOM 12 CA PHE A 4 -1.272 -3.769 1.542 0.00 0.00 +0.163 C ATOM 13 C PHE A 4 -2.455 -3.667 2.531 0.00 0.00 +0.234 C ATOM 14 O PHE A 4 -2.493 -4.302 3.588 0.00 0.00 -0.274 OA ATOM 15 N UNK A 5 -3.451 -2.759 2.309 0.00 0.00 -0.301 N ATOM 16 H UNK A 5 -4.228 -2.896 2.947 0.00 0.00 +0.150 HD ATOM 17 C UNK A 5 -3.658 -1.840 1.176 0.00 0.00 +0.186 C ATOM 18 C UNK A 5 -4.639 -0.732 1.588 0.00 0.00 +0.069 C ATOM 19 C UNK A 5 -4.341 0.633 1.016 0.00 0.00 -0.045 A ATOM 20 C UNK A 5 -3.580 1.546 1.756 0.00 0.00 +0.007 A ATOM 21 C UNK A 5 -3.403 2.851 1.295 0.00 0.00 +0.046 A ATOM 22 C UNK A 5 -3.960 3.259 0.082 0.00 0.00 +0.121 A ATOM 23 C UNK A 5 -4.670 2.340 -0.688 0.00 0.00 +0.046 A ATOM 24 O UNK A 5 -3.798 4.586 -0.195 0.00 0.00 -0.490 OA ATOM 25 C UNK A 5 -3.987 5.016 -1.544 0.00 0.00 +0.252 C ATOM 26 C UNK A 5 -3.747 6.525 -1.608 0.00 0.00 +0.186 C ATOM 27 N UNK A 5 -2.351 6.876 -1.463 0.00 0.00 -0.248 N ATOM 28 N UNK A 5 -1.671 7.425 -2.485 0.00 0.00 -0.065 NA ATOM 29 N UNK A 5 -0.420 7.604 -2.080 0.00 0.00 -0.131 NA ATOM 30 C UNK A 5 -0.329 7.182 -0.777 0.00 0.00 +0.120 A ATOM 31 C UNK A 5 0.969 7.211 -0.044 0.00 0.00 +0.287 C ATOM 32 O UNK A 5 1.184 6.076 0.813 0.00 0.00 -0.486 OA ATOM 33 C UNK A 5 1.272 4.849 0.210 0.00 0.00 +0.121 A ATOM 34 C UNK A 5 1.641 4.628 -1.115 0.00 0.00 +0.046 A ATOM 35 C UNK A 5 1.667 3.329 -1.625 0.00 0.00 +0.007 A ATOM 36 C UNK A 5 1.336 2.234 -0.814 0.00 0.00 -0.045 A ATOM 37 C UNK A 5 0.983 2.463 0.518 0.00 0.00 +0.007 A ATOM 38 C UNK A 5 0.960 3.763 1.028 0.00 0.00 +0.046 A ATOM 39 C UNK A 5 -1.570 6.756 -0.355 0.00 0.00 +0.137 A ATOM 40 C UNK A 5 -4.861 1.032 -0.222 0.00 0.00 +0.007 A ATOM 41 CD PRO A 3 2.538 -3.690 -1.800 0.00 0.00 +0.109 C ATOM 42 C UNK A 5 1.384 0.834 -1.384 0.00 0.00 +0.067 C ENDROOT BRANCH 1 44 ATOM 43 C ALA A 1 4.934 0.070 -0.302 0.00 0.00 +0.230 C ATOM 44 N UNK A 2 3.828 0.613 -0.931 0.00 0.00 -0.302 N ATOM 45 H UNK A 2 3.856 1.628 -0.989 0.00 0.00 +0.150 HD ATOM 46 O ALA A 1 4.908 -1.017 0.275 0.00 0.00 -0.274 OA BRANCH 43 47 ATOM 47 CA ALA A 1 6.171 0.999 -0.368 0.00 0.00 +0.137 C ATOM 48 CB ALA A 1 7.407 0.267 0.157 0.00 0.00 +0.034 C BRANCH 47 50 ATOM 49 C ACE A 0 6.857 3.261 0.284 0.00 0.00 +0.101 C ATOM 50 N ALA A 1 5.842 2.225 0.397 0.00 0.00 -0.309 NA ATOM 51 H ALA A 1 5.721 1.964 1.380 0.00 0.00 +0.122 HD ENDBRANCH 47 50 ENDBRANCH 43 47 ENDBRANCH 1 44 BRANCH 17 52 ATOM 52 C UNK A 5 -4.260 -2.624 0.012 0.00 0.00 +0.326 C ATOM 53 O UNK A 5 -5.033 -3.567 0.092 0.00 0.00 -0.249 OA BRANCH 52 54 ATOM 54 O UNK A 5 -3.856 -2.177 -1.195 0.00 0.00 -0.479 OA ATOM 55 H UNK A 5 -4.270 -2.791 -1.835 0.00 0.00 +0.295 HD ENDBRANCH 52 54 ENDBRANCH 17 52 BRANCH 12 56 ATOM 56 CB PHE A 4 -0.684 -5.193 1.595 0.00 0.00 +0.067 C BRANCH 56 57 ATOM 57 CG PHE A 4 -1.581 -6.203 0.909 0.00 0.00 -0.045 A ATOM 58 CD2 PHE A 4 -2.473 -6.983 1.655 0.00 0.00 +0.004 A ATOM 59 CE2 PHE A 4 -3.325 -7.886 1.016 0.00 0.00 +0.000 A ATOM 60 CZ PHE A 4 -3.287 -8.022 -0.371 0.00 0.00 +0.000 A ATOM 61 CE1 PHE A 4 -2.400 -7.254 -1.123 0.00 0.00 +0.000 A ATOM 62 CD1 PHE A 4 -1.551 -6.346 -0.488 0.00 0.00 +0.004 A ENDBRANCH 56 57 ENDBRANCH 12 56 TORSDOF 7