REMARK Name = BDB049938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N ASP A 3 0.204 -0.754 0.308 0.00 0.00 -0.302 N ATOM 2 H ASP A 3 -0.042 -1.735 0.450 0.00 0.00 +0.150 HD ATOM 3 C SER A 2 1.181 -0.236 1.129 0.00 0.00 +0.236 C ATOM 4 O SER A 2 1.534 0.942 1.076 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA SER A 2 1.891 -1.291 2.002 0.00 0.00 +0.184 C BRANCH 5 6 ATOM 6 N SER A 2 2.890 -1.949 1.166 0.00 0.00 -0.301 N ATOM 7 H SER A 2 3.836 -1.576 1.204 0.00 0.00 +0.150 HD ATOM 8 C GLN A 1 2.553 -2.894 0.225 0.00 0.00 +0.231 C ATOM 9 O GLN A 1 1.400 -3.301 0.077 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA GLN A 1 3.717 -3.305 -0.700 0.00 0.00 +0.138 C BRANCH 10 11 ATOM 11 N GLN A 1 3.712 -4.771 -0.850 0.00 0.00 -0.320 NA ATOM 12 H1 GLN A 1 2.782 -5.068 -1.150 0.00 0.00 +0.119 HD ATOM 13 H2 GLN A 1 4.360 -5.042 -1.587 0.00 0.00 +0.119 HD ENDBRANCH 10 11 BRANCH 10 14 ATOM 14 CB GLN A 1 3.585 -2.616 -2.072 0.00 0.00 +0.037 C BRANCH 14 15 ATOM 15 CG GLN A 1 3.376 -1.097 -2.022 0.00 0.00 +0.097 C BRANCH 15 16 ATOM 16 CD GLN A 1 4.465 -0.364 -1.274 0.00 0.00 +0.211 C ATOM 17 OE1 GLN A 1 5.593 -0.807 -1.103 0.00 0.00 -0.276 OA ATOM 18 NE2 GLN A 1 4.110 0.864 -0.800 0.00 0.00 -0.329 N ATOM 19 HE21 GLN A 1 4.799 1.333 -0.224 0.00 0.00 +0.145 HD ATOM 20 HE22 GLN A 1 3.141 1.107 -0.617 0.00 0.00 +0.145 HD ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 21 ATOM 21 CB SER A 2 2.554 -0.617 3.208 0.00 0.00 +0.187 C BRANCH 21 22 ATOM 22 OG SER A 2 3.627 0.237 2.798 0.00 0.00 -0.393 OA ATOM 23 H SER A 2 3.212 0.979 2.313 0.00 0.00 +0.209 HD ENDBRANCH 21 22 ENDBRANCH 5 21 ENDBRANCH 3 5 BRANCH 1 24 ATOM 24 CA ASP A 3 -0.712 0.092 -0.455 0.00 0.00 +0.169 C BRANCH 24 27 ATOM 25 N VAL A 4 -2.700 1.460 0.086 0.00 0.00 -0.301 N ATOM 26 H VAL A 4 -2.571 1.859 -0.848 0.00 0.00 +0.150 HD ATOM 27 C ASP A 3 -1.924 0.389 0.454 0.00 0.00 +0.235 C ATOM 28 O ASP A 3 -2.244 -0.320 1.412 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 CA VAL A 4 -3.917 1.824 0.818 0.00 0.00 +0.184 C BRANCH 29 31 ATOM 30 CG1 VAL A 4 -5.492 3.715 1.458 0.00 0.00 +0.009 C ATOM 31 CB VAL A 4 -4.314 3.298 0.567 0.00 0.00 +0.014 C ATOM 32 CG2 VAL A 4 -3.141 4.252 0.830 0.00 0.00 +0.009 C ENDBRANCH 29 31 BRANCH 29 33 ATOM 33 C VAL A 4 -5.023 0.834 0.396 0.00 0.00 +0.326 C ATOM 34 O VAL A 4 -5.971 1.099 -0.330 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 OXT VAL A 4 -4.828 -0.419 0.885 0.00 0.00 -0.479 OA ATOM 36 HXT VAL A 4 -3.977 -0.501 1.382 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 29 ENDBRANCH 24 27 BRANCH 24 37 ATOM 37 CB ASP A 3 -1.163 -0.642 -1.720 0.00 0.00 +0.152 C BRANCH 37 38 ATOM 38 CG ASP A 3 -1.713 0.319 -2.737 0.00 0.00 +0.307 C ATOM 39 OD1 ASP A 3 -1.926 1.504 -2.522 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 OD2 ASP A 3 -1.978 -0.261 -3.925 0.00 0.00 -0.481 OA ATOM 41 HD2 ASP A 3 -1.808 -1.222 -3.965 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 1 24 TORSDOF 18