REMARK Name = BDB055372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.217 -0.020 0.649 0.00 0.00 -0.302 N ATOM 2 H LIG 1 -0.053 0.366 1.581 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -1.476 -0.468 0.332 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -1.834 -0.675 -0.827 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA LIG 1 0.793 0.241 -0.371 0.00 0.00 +0.163 C BRANCH 5 8 ATOM 6 N LIG 1 3.214 -0.154 -0.633 0.00 0.00 -0.301 N ATOM 7 H LIG 1 3.092 0.237 -1.563 0.00 0.00 +0.150 HD ATOM 8 C LIG 1 2.180 0.011 0.265 0.00 0.00 +0.234 C ATOM 9 O LIG 1 2.356 -0.037 1.482 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 CA LIG 1 4.598 -0.329 -0.171 0.00 0.00 +0.182 C BRANCH 10 11 ATOM 11 C LIG 1 5.159 1.060 0.128 0.00 0.00 +0.325 C ATOM 12 O LIG 1 5.028 2.056 -0.568 0.00 0.00 -0.249 OA BRANCH 11 13 ATOM 13 OXT LIG 1 5.856 1.114 1.281 0.00 0.00 -0.479 OA ATOM 14 HXT LIG 1 6.100 2.058 1.381 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 10 11 BRANCH 10 15 ATOM 15 CB LIG 1 5.394 -1.048 -1.269 0.00 0.00 +0.036 C BRANCH 15 17 ATOM 16 CD1 LIG 1 6.780 -2.462 0.361 0.00 0.00 +0.007 C ATOM 17 CG LIG 1 6.785 -1.614 -0.910 0.00 0.00 -0.015 C ATOM 18 CD2 LIG 1 7.875 -0.545 -0.844 0.00 0.00 +0.007 C ENDBRANCH 15 17 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 8 BRANCH 5 19 ATOM 19 CB LIG 1 0.641 1.665 -0.934 0.00 0.00 +0.067 C BRANCH 19 20 ATOM 20 CG LIG 1 1.220 1.830 -2.320 0.00 0.00 -0.045 A ATOM 21 CD2 LIG 1 2.337 2.647 -2.537 0.00 0.00 +0.004 A ATOM 22 CE2 LIG 1 2.886 2.769 -3.813 0.00 0.00 +0.000 A ATOM 23 CZ LIG 1 2.320 2.086 -4.888 0.00 0.00 +0.000 A ATOM 24 CE1 LIG 1 1.200 1.282 -4.686 0.00 0.00 +0.000 A ATOM 25 CD1 LIG 1 0.650 1.156 -3.410 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 5 19 ENDBRANCH 1 5 BRANCH 3 26 ATOM 26 CA LIG 1 -2.437 -0.540 1.537 0.00 0.00 +0.159 C BRANCH 26 27 ATOM 27 N LIG 1 -3.110 0.762 1.552 0.00 0.00 -0.303 N ATOM 28 H LIG 1 -3.729 0.939 0.769 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -2.471 1.850 2.118 0.00 0.00 +0.231 C ATOM 30 O LIG 1 -1.445 1.717 2.787 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 CA LIG 1 -3.174 3.206 1.922 0.00 0.00 +0.141 C ATOM 32 N LIG 1 -2.189 4.302 1.989 0.00 0.00 -0.303 NA ATOM 33 H LIG 1 -1.831 4.408 2.937 0.00 0.00 +0.123 HD ATOM 34 C LIG 1 -2.878 5.495 1.505 0.00 0.00 +0.057 C ATOM 35 C LIG 1 -3.854 4.977 0.438 0.00 0.00 +0.008 C ATOM 36 C LIG 1 -3.545 5.488 -0.967 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -3.427 7.012 -0.998 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -2.617 7.597 0.166 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -1.886 6.531 0.977 0.00 0.00 +0.019 C ATOM 40 C LIG 1 -3.777 3.450 0.546 0.00 0.00 +0.033 C ENDBRANCH 29 31 ENDBRANCH 26 27 BRANCH 26 41 ATOM 41 CB LIG 1 -3.463 -1.671 1.396 0.00 0.00 +0.032 C BRANCH 41 42 ATOM 42 CG LIG 1 -2.962 -3.030 1.909 0.00 0.00 +0.004 C BRANCH 42 43 ATOM 43 CD LIG 1 -1.745 -3.579 1.155 0.00 0.00 +0.015 C BRANCH 43 44 ATOM 44 CE LIG 1 -1.297 -4.958 1.663 0.00 0.00 +0.084 C BRANCH 44 45 ATOM 45 NZ LIG 1 -2.324 -5.997 1.440 0.00 0.00 -0.303 NA ATOM 46 C LIG 1 -2.539 -6.739 2.688 0.00 0.00 +0.105 C BRANCH 45 47 ATOM 47 C LIG 1 -1.988 -6.897 0.304 0.00 0.00 +0.050 C ATOM 48 C LIG 1 -3.044 -7.997 0.095 0.00 0.00 +0.024 C ATOM 49 C LIG 1 -1.855 -6.134 -1.024 0.00 0.00 +0.024 C ENDBRANCH 45 47 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 26 41 ENDBRANCH 3 26 TORSDOF 18