REMARK Name = BDB000241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C VAL A 2 -2.226 -0.347 0.848 0.00 0.00 +0.237 C ATOM 2 N PRO A 3 -1.768 -1.631 1.047 0.00 0.00 -0.288 N ATOM 3 CA PRO A 3 -0.422 -1.864 1.554 0.00 0.00 +0.162 C ATOM 4 CB PRO A 3 -0.464 -3.291 2.102 0.00 0.00 +0.033 C ATOM 5 CG PRO A 3 -1.522 -3.965 1.231 0.00 0.00 +0.021 C ATOM 6 CD PRO A 3 -2.543 -2.860 1.004 0.00 0.00 +0.109 C ATOM 7 O VAL A 2 -1.519 0.630 1.119 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C PRO A 3 0.616 -1.746 0.417 0.00 0.00 +0.234 C ATOM 9 N TRP A 4 1.903 -1.521 0.856 0.00 0.00 -0.301 N ATOM 10 H TRP A 4 2.058 -1.222 1.814 0.00 0.00 +0.150 HD ATOM 11 O PRO A 3 0.344 -1.901 -0.771 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 CA TRP A 4 3.005 -1.305 -0.090 0.00 0.00 +0.186 C BRANCH 12 13 ATOM 13 C TRP A 4 4.294 -1.516 0.695 0.00 0.00 +0.326 C ATOM 14 O TRP A 4 4.499 -1.132 1.839 0.00 0.00 -0.249 OA BRANCH 13 15 ATOM 15 OXT TRP A 4 5.238 -2.196 0.018 0.00 0.00 -0.479 OA ATOM 16 HXT TRP A 4 6.021 -2.197 0.606 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 BRANCH 12 17 ATOM 17 CB TRP A 4 2.970 0.113 -0.676 0.00 0.00 +0.071 C BRANCH 17 18 ATOM 18 CG TRP A 4 4.006 0.348 -1.732 0.00 0.00 -0.020 A ATOM 19 CD2 TRP A 4 5.293 0.954 -1.559 0.00 0.00 +0.003 A ATOM 20 CE2 TRP A 4 5.924 0.953 -2.803 0.00 0.00 +0.047 A ATOM 21 CZ2 TRP A 4 7.212 1.467 -3.001 0.00 0.00 +0.026 A ATOM 22 CH2 TRP A 4 7.874 2.000 -1.891 0.00 0.00 +0.002 A ATOM 23 CZ3 TRP A 4 7.271 2.016 -0.636 0.00 0.00 +0.001 A ATOM 24 NE1 TRP A 4 5.053 0.380 -3.700 0.00 0.00 -0.360 N ATOM 25 HE1 TRP A 4 5.245 0.251 -4.683 0.00 0.00 +0.165 HD ATOM 26 CE3 TRP A 4 5.984 1.498 -0.456 0.00 0.00 +0.010 A ATOM 27 CD1 TRP A 4 3.897 0.012 -3.067 0.00 0.00 +0.087 A ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 28 ATOM 28 CA VAL A 2 -3.630 -0.177 0.216 0.00 0.00 +0.162 C BRANCH 28 29 ATOM 29 N VAL A 2 -4.142 1.133 0.600 0.00 0.00 -0.302 N ATOM 30 H VAL A 2 -3.578 1.942 0.341 0.00 0.00 +0.150 HD ATOM 31 C ALA A 1 -4.747 1.310 1.828 0.00 0.00 +0.230 C ATOM 32 O ALA A 1 -5.166 0.391 2.526 0.00 0.00 -0.274 OA BRANCH 31 33 ATOM 33 CA ALA A 1 -4.878 2.792 2.228 0.00 0.00 +0.135 C ATOM 34 CB ALA A 1 -6.151 3.380 1.640 0.00 0.00 +0.033 C BRANCH 33 35 ATOM 35 N ALA A 1 -3.703 3.546 1.726 0.00 0.00 -0.320 NA ATOM 36 H1 ALA A 1 -2.860 3.149 2.152 0.00 0.00 +0.119 HD ATOM 37 H2 ALA A 1 -3.760 4.505 2.067 0.00 0.00 +0.119 HD ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 28 29 BRANCH 28 39 ATOM 38 CG1 VAL A 2 -4.984 -0.428 -1.909 0.00 0.00 +0.009 C ATOM 39 CB VAL A 2 -3.572 -0.359 -1.318 0.00 0.00 +0.012 C ATOM 40 CG2 VAL A 2 -2.761 0.726 -2.036 0.00 0.00 +0.009 C ENDBRANCH 28 39 ENDBRANCH 1 28 TORSDOF 11