REMARK Name = BDB061927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PRO A 1 1.103 0.064 1.058 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C PRO A 1 -0.303 -0.084 0.435 0.00 0.00 +0.234 C ATOM 3 N PRO A 1 -1.341 0.319 1.241 0.00 0.00 -0.301 N ATOM 4 H PRO A 1 -1.173 0.516 2.223 0.00 0.00 +0.150 HD ATOM 5 O PRO A 1 -0.480 -0.523 -0.702 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA PRO A 1 -2.742 0.204 0.814 0.00 0.00 +0.186 C BRANCH 6 7 ATOM 7 C PRO A 1 -3.542 1.142 1.709 0.00 0.00 +0.326 C ATOM 8 O PRO A 1 -3.359 1.305 2.908 0.00 0.00 -0.249 OA BRANCH 7 9 ATOM 9 OXT PRO A 1 -4.502 1.826 1.059 0.00 0.00 -0.479 OA ATOM 10 HXT PRO A 1 -4.974 2.330 1.754 0.00 0.00 +0.295 HD ENDBRANCH 7 9 ENDBRANCH 6 7 BRANCH 6 11 ATOM 11 CB PRO A 1 -3.255 -1.234 0.962 0.00 0.00 +0.071 C BRANCH 11 12 ATOM 12 CG PRO A 1 -4.640 -1.430 0.425 0.00 0.00 -0.020 A ATOM 13 CD2 PRO A 1 -5.862 -1.435 1.173 0.00 0.00 +0.003 A ATOM 14 CE2 PRO A 1 -6.904 -1.634 0.266 0.00 0.00 +0.047 A ATOM 15 CZ2 PRO A 1 -8.248 -1.685 0.655 0.00 0.00 +0.026 A ATOM 16 CH2 PRO A 1 -8.536 -1.529 2.014 0.00 0.00 +0.002 A ATOM 17 CZ3 PRO A 1 -7.520 -1.327 2.944 0.00 0.00 +0.001 A ATOM 18 NE1 PRO A 1 -6.338 -1.756 -0.981 0.00 0.00 -0.360 N ATOM 19 HE1 PRO A 1 -6.859 -1.911 -1.834 0.00 0.00 +0.165 HD ATOM 20 CE3 PRO A 1 -6.181 -1.278 2.538 0.00 0.00 +0.010 A ATOM 21 CD1 PRO A 1 -4.978 -1.637 -0.898 0.00 0.00 +0.087 A ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 N PRO A 1 2.070 -0.579 0.179 0.00 0.00 -0.303 N ATOM 23 H PRO A 1 2.050 -0.270 -0.789 0.00 0.00 +0.149 HD ATOM 24 C PRO A 1 2.400 -1.909 0.342 0.00 0.00 +0.231 C ATOM 25 O PRO A 1 2.183 -2.536 1.374 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 CA PRO A 1 3.150 -2.529 -0.845 0.00 0.00 +0.200 C BRANCH 26 27 ATOM 27 N PRO A 1 3.055 -1.717 -2.054 0.00 0.00 -0.305 N ATOM 28 H PRO A 1 2.149 -1.662 -2.510 0.00 0.00 +0.149 HD ATOM 29 C PRO A 1 4.020 -0.969 -2.662 0.00 0.00 +0.230 C ATOM 30 O PRO A 1 3.697 -0.279 -3.634 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 CA PRO A 1 5.468 -0.989 -2.124 0.00 0.00 +0.140 C ATOM 32 N PRO A 1 6.384 -0.408 -3.146 0.00 0.00 -0.306 NA ATOM 33 H PRO A 1 5.785 -0.002 -3.877 0.00 0.00 +0.123 HD ATOM 34 CD PRO A 1 7.129 0.674 -2.498 0.00 0.00 +0.081 C ATOM 35 CG PRO A 1 6.231 1.155 -1.381 0.00 0.00 +0.017 C ATOM 36 CB PRO A 1 5.619 -0.134 -0.871 0.00 0.00 +0.029 C ENDBRANCH 29 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 22 BRANCH 1 37 ATOM 37 CB PRO A 1 1.492 1.518 1.376 0.00 0.00 +0.034 C BRANCH 37 39 ATOM 38 CD1 PRO A 1 2.404 3.768 0.737 0.00 0.00 +0.007 C ATOM 39 CG PRO A 1 1.923 2.417 0.195 0.00 0.00 -0.015 C ATOM 40 CD2 PRO A 1 0.814 2.650 -0.830 0.00 0.00 +0.007 C ENDBRANCH 37 39 ENDBRANCH 1 37 TORSDOF 12