REMARK Name = BDB048395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 4 0.064 1.172 -1.826 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C GLU A 3 1.884 0.072 -0.550 0.00 0.00 +0.234 C ATOM 3 N THR A 4 0.674 0.726 -0.573 0.00 0.00 -0.300 N ATOM 4 H THR A 4 0.285 1.131 0.274 0.00 0.00 +0.150 HD ATOM 5 O GLU A 3 2.426 -0.316 -1.585 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLU A 3 2.467 -0.201 0.859 0.00 0.00 +0.159 C BRANCH 6 8 ATOM 7 C PRO A 2 4.024 -2.052 1.483 0.00 0.00 +0.234 C ATOM 8 N GLU A 3 3.680 -0.992 0.684 0.00 0.00 -0.302 N ATOM 9 H GLU A 3 4.186 -0.855 -0.197 0.00 0.00 +0.150 HD ATOM 10 O PRO A 2 3.412 -2.298 2.525 0.00 0.00 -0.274 OA BRANCH 7 13 ATOM 11 C ASP A 1 6.761 -1.280 -0.134 0.00 0.00 +0.237 C ATOM 12 N PRO A 2 6.436 -2.031 0.972 0.00 0.00 -0.288 N ATOM 13 CA PRO A 2 5.239 -2.875 0.990 0.00 0.00 +0.162 C ATOM 14 CB PRO A 2 5.611 -4.014 1.941 0.00 0.00 +0.033 C ATOM 15 CG PRO A 2 6.560 -3.349 2.933 0.00 0.00 +0.021 C ATOM 16 CD PRO A 2 7.331 -2.359 2.073 0.00 0.00 +0.109 C ATOM 17 O ASP A 1 6.047 -1.281 -1.142 0.00 0.00 -0.274 OA BRANCH 11 18 ATOM 18 CA ASP A 1 8.005 -0.370 -0.059 0.00 0.00 +0.170 C BRANCH 18 21 ATOM 19 C UNK A 0 9.791 -0.791 -3.377 0.00 0.00 +0.109 C ATOM 20 C UNK A 0 9.585 -0.877 -1.888 0.00 0.00 +0.211 C ATOM 21 N ASP A 1 8.499 -0.166 -1.426 0.00 0.00 -0.304 N ATOM 22 H ASP A 1 7.760 -0.008 -2.113 0.00 0.00 +0.149 HD ATOM 23 O UNK A 0 10.333 -1.520 -1.160 0.00 0.00 -0.276 OA ENDBRANCH 18 21 BRANCH 18 24 ATOM 24 CB ASP A 1 7.675 0.944 0.637 0.00 0.00 +0.152 C BRANCH 24 25 ATOM 25 CG ASP A 1 6.736 1.784 -0.186 0.00 0.00 +0.307 C ATOM 26 OD1 ASP A 1 5.523 1.647 -0.198 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 OD2 ASP A 1 7.364 2.687 -0.973 0.00 0.00 -0.481 OA ATOM 28 HD2 ASP A 1 8.338 2.670 -0.900 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 6 8 BRANCH 6 29 ATOM 29 CB GLU A 3 2.716 1.098 1.644 0.00 0.00 +0.043 C BRANCH 29 30 ATOM 30 CG GLU A 3 2.994 0.884 3.130 0.00 0.00 +0.123 C BRANCH 30 31 ATOM 31 CD GLU A 3 4.458 0.700 3.450 0.00 0.00 +0.305 C ATOM 32 OE1 GLU A 3 5.301 1.580 3.352 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 OE2 GLU A 3 4.770 -0.531 3.904 0.00 0.00 -0.481 OA ATOM 34 HE2 GLU A 3 4.034 -1.183 3.803 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 35 ATOM 35 C THR A 4 -0.916 2.311 -1.478 0.00 0.00 +0.236 C ATOM 36 N GLY A 5 -1.521 2.910 -2.554 0.00 0.00 -0.305 N ATOM 37 H GLY A 5 -1.506 2.391 -3.433 0.00 0.00 +0.149 HD ATOM 38 O THR A 4 -1.134 2.663 -0.318 0.00 0.00 -0.274 OA BRANCH 36 39 ATOM 39 CA GLY A 5 -2.432 4.034 -2.422 0.00 0.00 +0.200 C BRANCH 39 40 ATOM 40 C GLY A 5 -3.897 3.638 -2.202 0.00 0.00 +0.231 C ATOM 41 N GLU A 6 -4.095 2.527 -1.417 0.00 0.00 -0.303 N ATOM 42 H GLU A 6 -3.316 2.232 -0.827 0.00 0.00 +0.149 HD ATOM 43 O GLY A 5 -4.826 4.326 -2.619 0.00 0.00 -0.274 OA BRANCH 41 44 ATOM 44 CA GLU A 6 -5.422 2.092 -1.001 0.00 0.00 +0.159 C BRANCH 44 45 ATOM 45 C GLU A 6 -5.273 1.112 0.184 0.00 0.00 +0.234 C ATOM 46 N LEU A 7 -6.452 0.804 0.835 0.00 0.00 -0.301 N ATOM 47 H LEU A 7 -7.309 1.011 0.342 0.00 0.00 +0.150 HD ATOM 48 O GLU A 6 -4.186 0.639 0.514 0.00 0.00 -0.274 OA BRANCH 46 49 ATOM 49 CA LEU A 7 -6.490 -0.289 1.809 0.00 0.00 +0.182 C BRANCH 49 50 ATOM 50 C LEU A 7 -6.632 -1.628 1.081 0.00 0.00 +0.325 C ATOM 51 O LEU A 7 -6.908 -1.788 -0.100 0.00 0.00 -0.249 OA BRANCH 50 52 ATOM 52 OXT LEU A 7 -6.431 -2.691 1.885 0.00 0.00 -0.479 OA ATOM 53 HXT LEU A 7 -6.523 -3.465 1.290 0.00 0.00 +0.295 HD ENDBRANCH 50 52 ENDBRANCH 49 50 BRANCH 49 54 ATOM 54 CB LEU A 7 -7.576 -0.079 2.876 0.00 0.00 +0.036 C BRANCH 54 55 ATOM 55 CG LEU A 7 -9.033 -0.455 2.519 0.00 0.00 -0.015 C ATOM 56 CD2 LEU A 7 -9.609 0.337 1.347 0.00 0.00 +0.007 C ATOM 57 CD1 LEU A 7 -9.922 -0.254 3.752 0.00 0.00 +0.007 C ENDBRANCH 54 55 ENDBRANCH 49 54 ENDBRANCH 46 49 ENDBRANCH 44 45 BRANCH 44 58 ATOM 58 CB GLU A 6 -6.221 1.469 -2.156 0.00 0.00 +0.043 C BRANCH 58 59 ATOM 59 CG GLU A 6 -5.516 0.281 -2.817 0.00 0.00 +0.123 C BRANCH 59 60 ATOM 60 CD GLU A 6 -6.376 -0.340 -3.882 0.00 0.00 +0.305 C ATOM 61 OE1 GLU A 6 -7.553 -0.115 -4.110 0.00 0.00 -0.251 OA BRANCH 60 62 ATOM 62 OE2 GLU A 6 -5.697 -1.244 -4.616 0.00 0.00 -0.481 OA ATOM 63 HE2 GLU A 6 -6.366 -1.576 -5.251 0.00 0.00 +0.295 HD ENDBRANCH 60 62 ENDBRANCH 59 60 ENDBRANCH 58 59 ENDBRANCH 44 58 ENDBRANCH 41 44 ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 1 35 BRANCH 1 64 ATOM 64 CB THR A 4 -0.603 0.025 -2.617 0.00 0.00 +0.141 C ATOM 65 CG2 THR A 4 -1.751 -0.647 -1.872 0.00 0.00 +0.040 C BRANCH 64 66 ATOM 66 OG1 THR A 4 -1.096 0.512 -3.876 0.00 0.00 -0.390 OA ATOM 67 HG1 THR A 4 -1.351 -0.274 -4.396 0.00 0.00 +0.210 HD ENDBRANCH 64 66 ENDBRANCH 1 64 TORSDOF 29