REMARK Name = BDB060252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CB ALA A 7 -3.626 2.698 -1.249 0.00 0.00 +0.038 C ATOM 2 CA ALA A 7 -2.369 2.338 -0.482 0.00 0.00 +0.156 C ATOM 3 C ALA A 7 -2.541 1.398 0.743 0.00 0.00 +0.234 C ATOM 4 O ALA A 7 -1.958 1.641 1.806 0.00 0.00 -0.274 OA ATOM 5 N GLU A 1 -3.129 0.172 0.696 0.00 0.00 -0.302 N ATOM 6 H GLU A 1 -2.949 -0.291 1.586 0.00 0.00 +0.150 HD ATOM 7 CA GLU A 1 -4.383 -0.294 0.072 0.00 0.00 +0.159 C ATOM 8 C GLU A 1 -4.380 -0.541 -1.458 0.00 0.00 +0.234 C ATOM 9 O GLU A 1 -5.377 -0.339 -2.151 0.00 0.00 -0.274 OA ATOM 10 N GLY A 2 -3.288 -1.110 -2.042 0.00 0.00 -0.305 N ATOM 11 H GLY A 2 -3.385 -1.319 -3.034 0.00 0.00 +0.149 HD ATOM 12 CA GLY A 2 -2.100 -1.623 -1.394 0.00 0.00 +0.200 C ATOM 13 C GLY A 2 -1.504 -2.821 -2.138 0.00 0.00 +0.231 C ATOM 14 O GLY A 2 -1.888 -3.170 -3.254 0.00 0.00 -0.274 OA ATOM 15 N ASP A 3 -0.504 -3.509 -1.500 0.00 0.00 -0.302 N ATOM 16 H ASP A 3 -0.055 -4.205 -2.082 0.00 0.00 +0.150 HD ATOM 17 CA ASP A 3 0.010 -3.247 -0.153 0.00 0.00 +0.170 C ATOM 18 C ASP A 3 1.458 -3.768 -0.023 0.00 0.00 +0.237 C ATOM 19 O ASP A 3 1.831 -4.389 0.978 0.00 0.00 -0.274 OA ATOM 20 N UNK A 4 2.323 -3.410 -1.042 0.00 0.00 -0.286 N ATOM 21 C UNK A 4 2.855 -2.028 -1.117 0.00 0.00 +0.165 C ATOM 22 C UNK A 4 4.265 -2.184 -1.723 0.00 0.00 +0.070 C ATOM 23 C UNK A 4 4.272 -3.572 -2.332 0.00 0.00 +0.186 C ATOM 24 F UNK A 4 3.695 -3.519 -3.559 0.00 0.00 -0.244 F ATOM 25 C UNK A 4 2.015 -1.030 -1.941 0.00 0.00 +0.234 C ATOM 26 O UNK A 4 1.104 -1.387 -2.687 0.00 0.00 -0.274 OA ATOM 27 N GLU A 5 2.271 0.309 -1.873 0.00 0.00 -0.302 N ATOM 28 H GLU A 5 1.679 0.821 -2.529 0.00 0.00 +0.150 HD ATOM 29 CA GLU A 5 2.869 1.125 -0.792 0.00 0.00 +0.159 C ATOM 30 C GLU A 5 2.550 2.592 -1.159 0.00 0.00 +0.234 C ATOM 31 O GLU A 5 3.234 3.207 -1.980 0.00 0.00 -0.274 OA ATOM 32 N THR A 6 1.427 3.212 -0.713 0.00 0.00 -0.300 N ATOM 33 H THR A 6 1.401 4.177 -1.035 0.00 0.00 +0.150 HD ATOM 34 CA THR A 6 0.592 2.934 0.473 0.00 0.00 +0.187 C ATOM 35 C THR A 6 -0.543 3.961 0.359 0.00 0.00 +0.236 C ATOM 36 O THR A 6 -0.320 5.166 0.531 0.00 0.00 -0.274 OA ATOM 37 C UNK A 4 3.385 -4.347 -1.384 0.00 0.00 +0.145 C ATOM 38 N ALA A 7 -1.798 3.617 -0.030 0.00 0.00 -0.303 N ATOM 39 H ALA A 7 -2.416 4.422 -0.025 0.00 0.00 +0.149 HD ENDROOT BRANCH 34 40 ATOM 40 CB THR A 6 1.356 3.229 1.792 0.00 0.00 +0.141 C ATOM 41 CG2 THR A 6 0.504 3.074 3.050 0.00 0.00 +0.040 C BRANCH 40 42 ATOM 42 OG1 THR A 6 2.468 2.332 1.932 0.00 0.00 -0.390 OA ATOM 43 HG1 THR A 6 2.879 2.539 2.790 0.00 0.00 +0.210 HD ENDBRANCH 40 42 ENDBRANCH 34 40 BRANCH 7 44 ATOM 44 CB GLU A 1 -5.614 0.484 0.570 0.00 0.00 +0.043 C BRANCH 44 45 ATOM 45 CG GLU A 1 -5.834 0.327 2.080 0.00 0.00 +0.123 C BRANCH 45 46 ATOM 46 CD GLU A 1 -7.022 1.128 2.556 0.00 0.00 +0.305 C ATOM 47 OE1 GLU A 1 -7.583 2.000 1.911 0.00 0.00 -0.251 OA BRANCH 46 48 ATOM 48 OE2 GLU A 1 -7.396 0.794 3.809 0.00 0.00 -0.481 OA ATOM 49 HE2 GLU A 1 -6.854 0.092 4.219 0.00 0.00 +0.295 HD ENDBRANCH 46 48 ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 7 44 BRANCH 17 50 ATOM 50 CB ASP A 3 -0.876 -3.955 0.882 0.00 0.00 +0.152 C BRANCH 50 51 ATOM 51 CG ASP A 3 -0.856 -3.165 2.155 0.00 0.00 +0.307 C ATOM 52 OD1 ASP A 3 -1.731 -2.358 2.447 0.00 0.00 -0.251 OA BRANCH 51 53 ATOM 53 OD2 ASP A 3 0.240 -3.376 2.913 0.00 0.00 -0.481 OA ATOM 54 HD2 ASP A 3 0.906 -3.988 2.505 0.00 0.00 +0.295 HD ENDBRANCH 51 53 ENDBRANCH 50 51 ENDBRANCH 17 50 BRANCH 29 55 ATOM 55 CB GLU A 5 4.394 0.942 -0.716 0.00 0.00 +0.043 C BRANCH 55 56 ATOM 56 CG GLU A 5 5.119 1.870 0.261 0.00 0.00 +0.123 C BRANCH 56 57 ATOM 57 CD GLU A 5 6.593 1.593 0.263 0.00 0.00 +0.305 C ATOM 58 OE1 GLU A 5 7.147 0.570 -0.109 0.00 0.00 -0.251 OA BRANCH 57 59 ATOM 59 OE2 GLU A 5 7.301 2.612 0.776 0.00 0.00 -0.481 OA ATOM 60 HE2 GLU A 5 8.234 2.316 0.701 0.00 0.00 +0.295 HD ENDBRANCH 57 59 ENDBRANCH 56 57 ENDBRANCH 55 56 ENDBRANCH 29 55 TORSDOF 13