REMARK Name = BDB049050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C TRP A 3 -0.414 -1.478 1.069 0.00 0.00 +0.234 C ATOM 2 N ARG A 4 -1.398 -2.344 0.610 0.00 0.00 -0.302 N ATOM 3 H ARG A 4 -1.264 -2.643 -0.352 0.00 0.00 +0.150 HD ATOM 4 O TRP A 3 -0.578 -0.726 2.027 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 CA ARG A 4 -2.814 -2.120 0.925 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 C ARG A 4 -3.256 -0.978 -0.024 0.00 0.00 +0.234 C ATOM 7 N VAL A 5 -4.088 -0.009 0.471 0.00 0.00 -0.302 N ATOM 8 H VAL A 5 -4.264 0.070 1.469 0.00 0.00 +0.150 HD ATOM 9 O ARG A 4 -2.882 -0.980 -1.202 0.00 0.00 -0.274 OA BRANCH 7 10 ATOM 10 CA VAL A 5 -4.387 1.200 -0.305 0.00 0.00 +0.162 C BRANCH 10 11 ATOM 11 C VAL A 5 -4.439 2.370 0.705 0.00 0.00 +0.237 C ATOM 12 N PRO A 6 -4.065 3.630 0.278 0.00 0.00 -0.286 N ATOM 13 CA PRO A 6 -4.211 4.772 1.185 0.00 0.00 +0.184 C ATOM 14 CB PRO A 6 -3.455 5.905 0.493 0.00 0.00 +0.035 C ATOM 15 CG PRO A 6 -2.399 5.174 -0.321 0.00 0.00 +0.021 C ATOM 16 CD PRO A 6 -3.128 3.923 -0.792 0.00 0.00 +0.109 C ATOM 17 O VAL A 5 -4.853 2.181 1.855 0.00 0.00 -0.274 OA BRANCH 13 18 ATOM 18 C PRO A 6 -5.674 5.163 1.387 0.00 0.00 +0.325 C ATOM 19 O PRO A 6 -6.625 4.886 0.672 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT PRO A 6 -5.848 5.950 2.472 0.00 0.00 -0.479 OA ATOM 21 HXT PRO A 6 -6.818 6.097 2.498 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 13 18 ENDBRANCH 10 11 BRANCH 10 22 ATOM 22 CB VAL A 5 -5.688 1.023 -1.121 0.00 0.00 +0.012 C ATOM 23 CG2 VAL A 5 -5.873 2.130 -2.161 0.00 0.00 +0.009 C ATOM 24 CG1 VAL A 5 -6.944 0.910 -0.252 0.00 0.00 +0.009 C ENDBRANCH 10 22 ENDBRANCH 7 10 ENDBRANCH 5 6 BRANCH 5 25 ATOM 25 CB ARG A 4 -3.167 -1.988 2.412 0.00 0.00 +0.033 C BRANCH 25 26 ATOM 26 CG ARG A 4 -2.603 -3.095 3.312 0.00 0.00 +0.023 C BRANCH 26 27 ATOM 27 CD ARG A 4 -3.064 -4.496 2.918 0.00 0.00 +0.115 C BRANCH 27 28 ATOM 28 NE ARG A 4 -2.573 -5.469 3.878 0.00 0.00 -0.356 N ATOM 29 HE ARG A 4 -3.287 -5.803 4.513 0.00 0.00 +0.162 HD BRANCH 28 30 ATOM 30 CZ ARG A 4 -1.544 -6.317 3.670 0.00 0.00 +0.188 C ATOM 31 NH1 ARG A 4 -1.392 -7.428 4.294 0.00 0.00 -0.269 NA ATOM 32 HH1 ARG A 4 -2.158 -7.550 4.960 0.00 0.00 +0.190 HD BRANCH 30 33 ATOM 33 NH2 ARG A 4 -0.619 -5.945 2.768 0.00 0.00 -0.370 N ATOM 34 HH21 ARG A 4 0.162 -6.593 2.811 0.00 0.00 +0.159 HD ATOM 35 HH22 ARG A 4 -0.298 -4.997 2.923 0.00 0.00 +0.159 HD ENDBRANCH 30 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 ENDBRANCH 2 5 BRANCH 1 36 ATOM 36 CA TRP A 3 0.906 -1.553 0.269 0.00 0.00 +0.163 C BRANCH 36 38 ATOM 37 C SER A 2 1.483 0.848 0.054 0.00 0.00 +0.236 C ATOM 38 N TRP A 3 1.741 -0.397 0.587 0.00 0.00 -0.302 N ATOM 39 H TRP A 3 2.629 -0.537 1.067 0.00 0.00 +0.150 HD ATOM 40 O SER A 2 0.524 1.081 -0.681 0.00 0.00 -0.274 OA BRANCH 37 41 ATOM 41 CA SER A 2 2.520 1.920 0.424 0.00 0.00 +0.184 C BRANCH 41 43 ATOM 42 C MET A 1 4.683 0.719 0.161 0.00 0.00 +0.231 C ATOM 43 N SER A 2 3.768 1.641 -0.287 0.00 0.00 -0.301 N ATOM 44 H SER A 2 3.801 1.916 -1.261 0.00 0.00 +0.150 HD ATOM 45 O MET A 1 4.553 0.135 1.234 0.00 0.00 -0.274 OA BRANCH 42 46 ATOM 46 CA MET A 1 5.904 0.507 -0.758 0.00 0.00 +0.138 C BRANCH 46 47 ATOM 47 N MET A 1 5.479 0.418 -2.167 0.00 0.00 -0.320 NA ATOM 48 H1 MET A 1 4.617 -0.119 -2.256 0.00 0.00 +0.119 HD ATOM 49 H2 MET A 1 5.333 1.347 -2.565 0.00 0.00 +0.119 HD ENDBRANCH 46 47 BRANCH 46 50 ATOM 50 CB MET A 1 6.910 1.642 -0.500 0.00 0.00 +0.038 C BRANCH 50 51 ATOM 51 CG MET A 1 8.141 1.630 -1.409 0.00 0.00 +0.071 C BRANCH 51 53 ATOM 52 CE MET A 1 8.144 4.312 -2.145 0.00 0.00 +0.084 C ATOM 53 SD MET A 1 7.944 2.678 -2.898 0.00 0.00 -0.164 S ENDBRANCH 51 53 ENDBRANCH 50 51 ENDBRANCH 46 50 ENDBRANCH 42 46 ENDBRANCH 41 43 BRANCH 41 54 ATOM 54 CB SER A 2 1.991 3.309 0.045 0.00 0.00 +0.187 C BRANCH 54 55 ATOM 55 OG SER A 2 1.872 3.441 -1.377 0.00 0.00 -0.393 OA ATOM 56 H SER A 2 1.164 2.814 -1.639 0.00 0.00 +0.209 HD ENDBRANCH 54 55 ENDBRANCH 41 54 ENDBRANCH 37 41 ENDBRANCH 36 38 BRANCH 36 57 ATOM 57 CB TRP A 3 1.625 -2.881 0.561 0.00 0.00 +0.069 C BRANCH 57 58 ATOM 58 CG TRP A 3 2.754 -3.126 -0.395 0.00 0.00 -0.020 A ATOM 59 CD2 TRP A 3 2.646 -3.610 -1.739 0.00 0.00 +0.003 A ATOM 60 CE2 TRP A 3 3.931 -3.618 -2.283 0.00 0.00 +0.047 A ATOM 61 CZ2 TRP A 3 4.194 -4.007 -3.603 0.00 0.00 +0.026 A ATOM 62 CH2 TRP A 3 3.111 -4.415 -4.385 0.00 0.00 +0.002 A ATOM 63 CZ3 TRP A 3 1.818 -4.428 -3.869 0.00 0.00 +0.001 A ATOM 64 NE1 TRP A 3 4.791 -3.189 -1.299 0.00 0.00 -0.360 N ATOM 65 HE1 TRP A 3 5.791 -3.096 -1.414 0.00 0.00 +0.165 HD ATOM 66 CE3 TRP A 3 1.571 -4.027 -2.550 0.00 0.00 +0.010 A ATOM 67 CD1 TRP A 3 4.094 -2.899 -0.158 0.00 0.00 +0.087 A ENDBRANCH 57 58 ENDBRANCH 36 57 ENDBRANCH 1 36 TORSDOF 26