REMARK Name = BDB053137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N ALA A 1 2.314 -2.047 0.369 0.00 0.00 -0.302 N ATOM 2 H ALA A 1 2.256 -2.860 -0.251 0.00 0.00 +0.150 HD ATOM 3 C ALA A 1 1.270 -1.157 0.222 0.00 0.00 +0.236 C ATOM 4 O ALA A 1 1.366 0.040 0.496 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA ALA A 1 -0.037 -1.780 -0.310 0.00 0.00 +0.187 C BRANCH 5 6 ATOM 6 N ALA A 1 -1.079 -0.753 -0.253 0.00 0.00 -0.301 N ATOM 7 H ALA A 1 -0.751 0.199 -0.398 0.00 0.00 +0.150 HD ATOM 8 C ALA A 1 -2.211 -0.920 0.519 0.00 0.00 +0.230 C ATOM 9 O ALA A 1 -2.513 -1.992 1.042 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA ALA A 1 -3.066 0.360 0.668 0.00 0.00 +0.137 C ATOM 11 CB ALA A 1 -2.404 1.293 1.681 0.00 0.00 +0.034 C BRANCH 10 12 ATOM 12 N ALA A 1 -4.424 0.030 1.155 0.00 0.00 -0.306 NA ATOM 13 H ALA A 1 -4.306 -0.682 1.884 0.00 0.00 +0.123 HD BRANCH 12 14 ATOM 14 C UNK A 0 -5.292 -0.526 0.120 0.00 0.00 +0.082 C BRANCH 14 15 ATOM 15 C UNK A 0 -5.862 0.499 -0.865 0.00 0.00 +0.018 C BRANCH 15 16 ATOM 16 C UNK A 0 -6.892 1.544 -0.370 0.00 0.00 -0.010 C ATOM 17 C UNK A 0 -8.154 0.934 0.262 0.00 0.00 +0.003 C ATOM 18 C UNK A 0 -8.112 0.806 1.780 0.00 0.00 +0.000 C ATOM 19 C UNK A 0 -7.739 2.124 2.439 0.00 0.00 +0.000 C ATOM 20 C UNK A 0 -6.381 2.608 1.956 0.00 0.00 +0.000 C ATOM 21 C UNK A 0 -6.302 2.717 0.434 0.00 0.00 +0.003 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 22 ATOM 22 CB ALA A 1 0.129 -2.360 -1.728 0.00 0.00 +0.141 C ATOM 23 CG2 ALA A 1 0.589 -1.339 -2.765 0.00 0.00 +0.040 C BRANCH 22 24 ATOM 24 OG1 ALA A 1 1.062 -3.452 -1.703 0.00 0.00 -0.390 OA ATOM 25 HG1 ALA A 1 1.088 -3.825 -2.603 0.00 0.00 +0.210 HD ENDBRANCH 22 24 ENDBRANCH 5 22 ENDBRANCH 3 5 BRANCH 1 26 ATOM 26 CA ALA A 1 3.649 -1.576 0.735 0.00 0.00 +0.169 C BRANCH 26 29 ATOM 27 N ALA A 1 5.408 -0.267 -0.404 0.00 0.00 -0.301 N ATOM 28 H ALA A 1 5.734 -0.076 0.545 0.00 0.00 +0.150 HD ATOM 29 C ALA A 1 4.374 -1.152 -0.562 0.00 0.00 +0.235 C ATOM 30 O ALA A 1 4.131 -1.633 -1.670 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 CA ALA A 1 6.143 0.352 -1.521 0.00 0.00 +0.184 C BRANCH 31 33 ATOM 32 CG1 ALA A 1 7.908 1.584 -0.086 0.00 0.00 +0.009 C ATOM 33 CB ALA A 1 6.739 1.708 -1.069 0.00 0.00 +0.014 C ATOM 34 CG2 ALA A 1 7.136 2.587 -2.259 0.00 0.00 +0.009 C ENDBRANCH 31 33 BRANCH 31 35 ATOM 35 C ALA A 1 7.157 -0.622 -2.173 0.00 0.00 +0.326 C ATOM 36 O ALA A 1 8.295 -0.333 -2.510 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 OXT ALA A 1 6.632 -1.839 -2.468 0.00 0.00 -0.479 OA ATOM 38 HXT ALA A 1 5.658 -1.876 -2.312 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 27 31 ENDBRANCH 26 29 BRANCH 26 39 ATOM 39 CB ALA A 1 4.430 -2.687 1.434 0.00 0.00 +0.152 C BRANCH 39 40 ATOM 40 CG ALA A 1 5.567 -2.121 2.234 0.00 0.00 +0.307 C ATOM 41 OD1 ALA A 1 6.005 -0.984 2.170 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 OD2 ALA A 1 6.114 -3.035 3.056 0.00 0.00 -0.481 OA ATOM 43 HD2 ALA A 1 6.853 -2.576 3.513 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 26 39 ENDBRANCH 1 26 TORSDOF 18