REMARK Name = BDB061909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PRO A 1 -0.189 -2.306 -0.053 0.00 0.00 +0.163 C ENDROOT BRANCH 1 3 ATOM 2 C PRO A 1 -2.044 -1.219 1.227 0.00 0.00 +0.234 C ATOM 3 N PRO A 1 -1.221 -2.298 0.994 0.00 0.00 -0.302 N ATOM 4 H PRO A 1 -1.001 -2.864 1.806 0.00 0.00 +0.150 HD ATOM 5 O PRO A 1 -2.083 -0.216 0.511 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA PRO A 1 -2.921 -1.330 2.495 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 N PRO A 1 -3.759 -0.138 2.541 0.00 0.00 -0.303 N ATOM 8 H PRO A 1 -3.616 0.530 1.784 0.00 0.00 +0.149 HD ATOM 9 C PRO A 1 -4.359 0.331 3.687 0.00 0.00 +0.231 C ATOM 10 O PRO A 1 -4.267 -0.230 4.773 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 CA PRO A 1 -5.098 1.659 3.497 0.00 0.00 +0.200 C BRANCH 11 12 ATOM 12 N PRO A 1 -5.424 1.879 2.093 0.00 0.00 -0.305 N ATOM 13 H PRO A 1 -5.784 1.087 1.572 0.00 0.00 +0.149 HD ATOM 14 C PRO A 1 -5.588 3.143 1.572 0.00 0.00 +0.230 C ATOM 15 O PRO A 1 -5.449 4.165 2.240 0.00 0.00 -0.274 OA BRANCH 14 16 ATOM 16 CA PRO A 1 -5.983 3.158 0.079 0.00 0.00 +0.140 C ATOM 17 N PRO A 1 -6.112 4.550 -0.412 0.00 0.00 -0.306 NA ATOM 18 H PRO A 1 -6.244 5.167 0.398 0.00 0.00 +0.123 HD ATOM 19 CD PRO A 1 -4.844 4.868 -1.062 0.00 0.00 +0.081 C ATOM 20 CG PRO A 1 -4.510 3.585 -1.792 0.00 0.00 +0.017 C ATOM 21 CB PRO A 1 -4.926 2.500 -0.811 0.00 0.00 +0.029 C ENDBRANCH 14 16 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 22 ATOM 22 CB PRO A 1 -3.740 -2.631 2.580 0.00 0.00 +0.034 C BRANCH 22 24 ATOM 23 CD1 PRO A 1 -5.579 -2.009 0.889 0.00 0.00 +0.007 C ATOM 24 CG PRO A 1 -4.545 -3.045 1.328 0.00 0.00 -0.015 C ATOM 25 CD2 PRO A 1 -5.242 -4.385 1.589 0.00 0.00 +0.007 C ENDBRANCH 22 24 ENDBRANCH 6 22 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 26 ATOM 26 C PRO A 1 1.046 -1.539 0.487 0.00 0.00 +0.234 C ATOM 27 N LYS A 2 2.101 -1.398 -0.387 0.00 0.00 -0.302 N ATOM 28 H LYS A 2 1.912 -1.423 -1.383 0.00 0.00 +0.150 HD ATOM 29 O PRO A 1 1.134 -1.195 1.669 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 CA LYS A 2 3.292 -0.624 -0.033 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LYS A 2 3.323 0.608 -0.962 0.00 0.00 +0.234 C ATOM 32 N SER A 3 4.243 1.566 -0.621 0.00 0.00 -0.301 N ATOM 33 H SER A 3 4.919 1.393 0.122 0.00 0.00 +0.150 HD ATOM 34 O LYS A 2 2.587 0.713 -1.943 0.00 0.00 -0.274 OA BRANCH 32 35 ATOM 35 CA SER A 3 4.473 2.759 -1.434 0.00 0.00 +0.184 C BRANCH 35 36 ATOM 36 C SER A 3 5.849 3.321 -1.029 0.00 0.00 +0.236 C ATOM 37 N CYS A 4 6.253 4.429 -1.744 0.00 0.00 -0.300 N ATOM 38 H CYS A 4 5.485 4.964 -2.160 0.00 0.00 +0.150 HD ATOM 39 O SER A 3 6.536 2.802 -0.149 0.00 0.00 -0.274 OA BRANCH 37 40 ATOM 40 CA CYS A 4 7.458 5.172 -1.351 0.00 0.00 +0.191 C BRANCH 40 41 ATOM 41 C CYS A 4 7.074 6.121 -0.213 0.00 0.00 +0.326 C ATOM 42 O CYS A 4 5.951 6.523 0.057 0.00 0.00 -0.249 OA BRANCH 41 43 ATOM 43 OXT CYS A 4 8.135 6.548 0.505 0.00 0.00 -0.479 OA ATOM 44 HXT CYS A 4 7.744 7.103 1.214 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 BRANCH 40 45 ATOM 45 CB CYS A 4 8.003 5.971 -2.539 0.00 0.00 +0.099 C BRANCH 45 46 ATOM 46 SG CYS A 4 9.762 6.423 -2.361 0.00 0.00 -0.176 S ATOM 47 HG CYS A 4 9.655 7.000 -1.150 0.00 0.00 +0.102 HD ENDBRANCH 45 46 ENDBRANCH 40 45 ENDBRANCH 37 40 ENDBRANCH 35 36 BRANCH 35 48 ATOM 48 CB SER A 3 3.383 3.819 -1.227 0.00 0.00 +0.187 C BRANCH 48 49 ATOM 49 OG SER A 3 3.540 4.894 -2.162 0.00 0.00 -0.393 OA ATOM 50 H SER A 3 2.771 5.481 -2.030 0.00 0.00 +0.209 HD ENDBRANCH 48 49 ENDBRANCH 35 48 ENDBRANCH 32 35 ENDBRANCH 30 31 BRANCH 30 51 ATOM 51 CB LYS A 2 4.562 -1.466 -0.214 0.00 0.00 +0.032 C BRANCH 51 52 ATOM 52 CG LYS A 2 4.618 -2.722 0.666 0.00 0.00 +0.003 C BRANCH 52 53 ATOM 53 CD LYS A 2 4.721 -2.409 2.164 0.00 0.00 +0.015 C BRANCH 53 54 ATOM 54 CE LYS A 2 4.695 -3.664 3.039 0.00 0.00 +0.077 C BRANCH 54 55 ATOM 55 NZ LYS A 2 5.825 -4.545 2.769 0.00 0.00 -0.330 NA ATOM 56 HZ1 LYS A 2 5.802 -5.332 3.418 0.00 0.00 +0.118 HD ATOM 57 HZ2 LYS A 2 6.698 -4.054 2.953 0.00 0.00 +0.118 HD ENDBRANCH 54 55 ENDBRANCH 53 54 ENDBRANCH 52 53 ENDBRANCH 51 52 ENDBRANCH 30 51 ENDBRANCH 27 30 ENDBRANCH 1 26 BRANCH 1 58 ATOM 58 CB PRO A 1 -0.647 -1.857 -1.453 0.00 0.00 +0.069 C BRANCH 58 59 ATOM 59 CG PRO A 1 -1.865 -2.571 -1.966 0.00 0.00 -0.020 A ATOM 60 CD2 PRO A 1 -1.970 -3.947 -2.350 0.00 0.00 +0.003 A ATOM 61 CE2 PRO A 1 -3.287 -4.167 -2.756 0.00 0.00 +0.047 A ATOM 62 CZ2 PRO A 1 -3.749 -5.415 -3.190 0.00 0.00 +0.026 A ATOM 63 CH2 PRO A 1 -2.835 -6.472 -3.217 0.00 0.00 +0.002 A ATOM 64 CZ3 PRO A 1 -1.512 -6.285 -2.825 0.00 0.00 +0.001 A ATOM 65 NE1 PRO A 1 -3.952 -2.970 -2.644 0.00 0.00 -0.360 N ATOM 66 HE1 PRO A 1 -4.923 -2.829 -2.879 0.00 0.00 +0.165 HD ATOM 67 CE3 PRO A 1 -1.067 -5.030 -2.392 0.00 0.00 +0.010 A ATOM 68 CD1 PRO A 1 -3.106 -2.002 -2.179 0.00 0.00 +0.087 A ENDBRANCH 58 59 ENDBRANCH 1 58 TORSDOF 27