REMARK Name = BDB015832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.004 -0.298 -0.054 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 0 -1.048 -1.254 -0.415 0.00 0.00 -0.308 N ATOM 3 H UNK A 0 -1.862 -1.312 0.200 0.00 0.00 +0.149 HD ATOM 4 C UNK A 0 -1.288 -1.591 -1.736 0.00 0.00 +0.234 C ATOM 5 O UNK A 0 -0.623 -1.149 -2.670 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C UNK A 0 -2.553 -2.459 -1.939 0.00 0.00 +0.161 C BRANCH 6 7 ATOM 7 N UNK A 0 -3.653 -1.499 -2.055 0.00 0.00 -0.302 N ATOM 8 H UNK A 0 -3.736 -1.002 -2.934 0.00 0.00 +0.150 HD ATOM 9 C UNK A 0 -4.208 -0.936 -0.926 0.00 0.00 +0.234 C ATOM 10 O UNK A 0 -3.891 -1.308 0.206 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C UNK A 0 -5.175 0.240 -1.190 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 N UNK A 0 -5.844 0.532 0.072 0.00 0.00 -0.304 N ATOM 13 H UNK A 0 -5.217 0.656 0.858 0.00 0.00 +0.149 HD ATOM 14 C UNK A 0 -7.064 -0.040 0.363 0.00 0.00 +0.214 C ATOM 15 O UNK A 0 -7.745 -0.636 -0.466 0.00 0.00 -0.276 OA BRANCH 14 16 ATOM 16 C UNK A 0 -7.457 0.132 1.821 0.00 0.00 +0.098 C BRANCH 16 17 ATOM 17 C UNK A 0 -8.909 -0.274 2.115 0.00 0.00 -0.008 C ATOM 18 C UNK A 0 -9.110 -0.455 3.621 0.00 0.00 +0.008 C ATOM 19 C UNK A 0 -9.896 0.768 1.581 0.00 0.00 +0.008 C ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 11 20 ATOM 20 C UNK A 0 -4.382 1.456 -1.698 0.00 0.00 +0.034 C BRANCH 20 21 ATOM 21 C UNK A 0 -5.196 2.759 -1.824 0.00 0.00 -0.015 C ATOM 22 C UNK A 0 -4.290 3.888 -2.328 0.00 0.00 +0.007 C ATOM 23 C UNK A 0 -6.397 2.604 -2.758 0.00 0.00 +0.007 C ENDBRANCH 20 21 ENDBRANCH 11 20 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 24 ATOM 24 C UNK A 0 -2.450 -3.347 -3.198 0.00 0.00 +0.012 C ATOM 25 C UNK A 0 -1.299 -4.353 -3.075 0.00 0.00 +0.009 C ATOM 26 C UNK A 0 -3.756 -4.114 -3.445 0.00 0.00 +0.009 C ENDBRANCH 6 24 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 27 ATOM 27 C UNK A 0 1.426 -0.886 -0.318 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 O UNK A 0 2.400 0.158 -0.252 0.00 0.00 -0.390 OA ATOM 29 H UNK A 0 2.327 0.670 -1.078 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C UNK A 0 1.813 -2.019 0.649 0.00 0.00 +0.042 C BRANCH 30 31 ATOM 31 C UNK A 0 3.204 -2.588 0.353 0.00 0.00 +0.098 C BRANCH 31 34 ATOM 32 N VAL A 1 5.560 -2.061 0.454 0.00 0.00 -0.304 N ATOM 33 H VAL A 1 5.558 -2.378 -0.509 0.00 0.00 +0.149 HD ATOM 34 C UNK A 0 4.327 -1.817 1.025 0.00 0.00 +0.214 C ATOM 35 O UNK A 0 4.180 -1.125 2.026 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 CA VAL A 1 6.716 -1.254 0.833 0.00 0.00 +0.162 C BRANCH 36 37 ATOM 37 C VAL A 1 6.769 -0.151 -0.248 0.00 0.00 +0.234 C ATOM 38 N VAL A 1 6.873 1.131 0.240 0.00 0.00 -0.301 N ATOM 39 H VAL A 1 7.161 1.249 1.205 0.00 0.00 +0.150 HD ATOM 40 O VAL A 1 6.705 -0.409 -1.450 0.00 0.00 -0.274 OA BRANCH 38 41 ATOM 41 CA VAL A 1 7.044 2.280 -0.652 0.00 0.00 +0.184 C BRANCH 41 42 ATOM 42 CB VAL A 1 6.403 3.546 -0.047 0.00 0.00 +0.014 C ATOM 43 CG2 VAL A 1 6.606 4.776 -0.938 0.00 0.00 +0.009 C ATOM 44 CG1 VAL A 1 4.899 3.343 0.188 0.00 0.00 +0.009 C ENDBRANCH 41 42 BRANCH 41 45 ATOM 45 C VAL A 1 8.554 2.455 -0.836 0.00 0.00 +0.326 C ATOM 46 O VAL A 1 9.409 2.301 0.023 0.00 0.00 -0.249 OA BRANCH 45 47 ATOM 47 OXT VAL A 1 8.903 2.829 -2.083 0.00 0.00 -0.479 OA ATOM 48 HXT VAL A 1 9.882 2.858 -2.062 0.00 0.00 +0.295 HD ENDBRANCH 45 47 ENDBRANCH 41 45 ENDBRANCH 38 41 ENDBRANCH 36 37 BRANCH 36 49 ATOM 49 CB VAL A 1 8.017 -2.093 0.867 0.00 0.00 +0.015 C ATOM 50 CG2 VAL A 1 9.256 -1.187 0.963 0.00 0.00 +0.010 C BRANCH 49 52 ATOM 51 CD1 VAL A 1 7.159 -4.302 1.905 0.00 0.00 +0.004 C ATOM 52 CG1 VAL A 1 8.051 -3.078 2.062 0.00 0.00 +0.002 C ENDBRANCH 49 52 ENDBRANCH 36 49 ENDBRANCH 32 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 1 53 ATOM 53 C UNK A 0 -0.148 0.190 1.407 0.00 0.00 +0.060 C BRANCH 53 54 ATOM 54 C UNK A 0 -1.349 1.081 1.650 0.00 0.00 -0.046 A ATOM 55 C UNK A 0 -2.411 0.640 2.451 0.00 0.00 +0.004 A ATOM 56 C UNK A 0 -3.495 1.479 2.718 0.00 0.00 +0.000 A ATOM 57 C UNK A 0 -3.533 2.762 2.179 0.00 0.00 +0.000 A ATOM 58 C UNK A 0 -2.483 3.212 1.381 0.00 0.00 +0.000 A ATOM 59 C UNK A 0 -1.393 2.379 1.122 0.00 0.00 +0.004 A ENDBRANCH 53 54 ENDBRANCH 1 53 TORSDOF 25