REMARK Name = BDB049051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ARG A 3 0.369 1.182 -0.459 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N VAL A 4 2.140 1.112 -2.163 0.00 0.00 -0.302 N ATOM 3 H VAL A 4 2.474 1.929 -1.668 0.00 0.00 +0.150 HD ATOM 4 C ARG A 3 1.029 0.466 -1.657 0.00 0.00 +0.234 C ATOM 5 O ARG A 3 0.636 -0.616 -2.090 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA VAL A 4 3.098 0.428 -3.040 0.00 0.00 +0.162 C BRANCH 6 7 ATOM 7 C VAL A 4 4.251 -0.089 -2.123 0.00 0.00 +0.237 C ATOM 8 N PRO A 5 3.884 -0.958 -1.095 0.00 0.00 -0.286 N ATOM 9 CA PRO A 5 4.804 -1.329 -0.007 0.00 0.00 +0.184 C ATOM 10 CB PRO A 5 5.452 -2.606 -0.523 0.00 0.00 +0.035 C ATOM 11 CG PRO A 5 4.329 -3.279 -1.318 0.00 0.00 +0.021 C ATOM 12 CD PRO A 5 3.244 -2.207 -1.501 0.00 0.00 +0.109 C ATOM 13 O VAL A 4 5.412 0.310 -2.213 0.00 0.00 -0.274 OA BRANCH 9 14 ATOM 14 C PRO A 5 5.789 -0.408 0.732 0.00 0.00 +0.325 C ATOM 15 O PRO A 5 6.150 -0.644 1.880 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT PRO A 5 6.298 0.632 0.053 0.00 0.00 -0.479 OA ATOM 17 HXT PRO A 5 6.080 0.616 -0.909 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 7 BRANCH 6 19 ATOM 18 CG1 VAL A 4 4.202 2.664 -3.773 0.00 0.00 +0.009 C ATOM 19 CB VAL A 4 3.531 1.355 -4.202 0.00 0.00 +0.012 C ATOM 20 CG2 VAL A 4 4.406 0.612 -5.216 0.00 0.00 +0.009 C ENDBRANCH 6 19 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 N ARG A 3 -0.943 0.599 -0.224 0.00 0.00 -0.302 N ATOM 22 H ARG A 3 -1.077 -0.380 -0.472 0.00 0.00 +0.150 HD ATOM 23 C TRP A 2 -2.027 1.365 0.139 0.00 0.00 +0.234 C ATOM 24 O TRP A 2 -1.962 2.592 0.230 0.00 0.00 -0.274 OA BRANCH 23 25 ATOM 25 CA TRP A 2 -3.319 0.585 0.441 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 N TRP A 2 -4.101 1.411 1.354 0.00 0.00 -0.302 N ATOM 27 H TRP A 2 -3.968 2.423 1.336 0.00 0.00 +0.150 HD ATOM 28 C SER A 1 -5.056 0.911 2.204 0.00 0.00 +0.233 C ATOM 29 O SER A 1 -5.356 -0.277 2.252 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 CA SER A 1 -5.663 1.984 3.121 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 N SER A 1 -5.931 3.230 2.349 0.00 0.00 -0.318 NA ATOM 32 H1 SER A 1 -6.611 3.005 1.620 0.00 0.00 +0.119 HD ATOM 33 H2 SER A 1 -6.451 3.852 2.976 0.00 0.00 +0.119 HD ENDBRANCH 30 31 BRANCH 30 34 ATOM 34 CB SER A 1 -6.933 1.472 3.810 0.00 0.00 +0.183 C BRANCH 34 35 ATOM 35 OG SER A 1 -7.515 2.507 4.610 0.00 0.00 -0.393 OA ATOM 36 H SER A 1 -6.888 2.697 5.330 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 CB TRP A 2 -4.095 0.271 -0.845 0.00 0.00 +0.069 C BRANCH 37 38 ATOM 38 CG TRP A 2 -3.457 -0.810 -1.662 0.00 0.00 -0.020 A ATOM 39 CD2 TRP A 2 -3.434 -2.209 -1.360 0.00 0.00 +0.003 A ATOM 40 CE2 TRP A 2 -2.683 -2.839 -2.353 0.00 0.00 +0.047 A ATOM 41 CZ2 TRP A 2 -2.442 -4.218 -2.361 0.00 0.00 +0.026 A ATOM 42 CH2 TRP A 2 -2.988 -4.976 -1.321 0.00 0.00 +0.002 A ATOM 43 CZ3 TRP A 2 -3.743 -4.377 -0.315 0.00 0.00 +0.001 A ATOM 44 NE1 TRP A 2 -2.276 -1.863 -3.231 0.00 0.00 -0.360 N ATOM 45 HE1 TRP A 2 -1.692 -2.026 -4.040 0.00 0.00 +0.165 HD ATOM 46 CE3 TRP A 2 -3.972 -2.996 -0.321 0.00 0.00 +0.010 A ATOM 47 CD1 TRP A 2 -2.751 -0.641 -2.837 0.00 0.00 +0.087 A ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 23 25 ENDBRANCH 1 21 BRANCH 1 48 ATOM 48 CB ARG A 3 1.283 1.038 0.774 0.00 0.00 +0.033 C BRANCH 48 49 ATOM 49 CG ARG A 3 0.682 1.610 2.061 0.00 0.00 +0.023 C BRANCH 49 50 ATOM 50 CD ARG A 3 1.690 1.581 3.211 0.00 0.00 +0.115 C BRANCH 50 51 ATOM 51 NE ARG A 3 1.034 1.882 4.474 0.00 0.00 -0.356 N ATOM 52 HE ARG A 3 0.543 2.773 4.443 0.00 0.00 +0.162 HD BRANCH 51 53 ATOM 53 CZ ARG A 3 0.259 0.992 5.130 0.00 0.00 +0.188 C ATOM 54 NH1 ARG A 3 -0.874 1.346 5.616 0.00 0.00 -0.269 NA ATOM 55 HH1 ARG A 3 -1.319 0.541 6.059 0.00 0.00 +0.190 HD BRANCH 53 56 ATOM 56 NH2 ARG A 3 0.770 -0.246 5.245 0.00 0.00 -0.370 N ATOM 57 HH21 ARG A 3 0.334 -0.825 5.951 0.00 0.00 +0.159 HD ATOM 58 HH22 ARG A 3 1.776 -0.227 5.367 0.00 0.00 +0.159 HD ENDBRANCH 53 56 ENDBRANCH 51 53 ENDBRANCH 50 51 ENDBRANCH 49 50 ENDBRANCH 48 49 ENDBRANCH 1 48 TORSDOF 21