REMARK Name = BDB057096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 6 0.717 -2.758 -0.445 0.00 0.00 +0.162 C ATOM 2 C ILE A 6 -0.072 -3.484 0.661 0.00 0.00 +0.234 C ATOM 3 O ILE A 6 0.350 -4.529 1.160 0.00 0.00 -0.274 OA ATOM 4 N TYR A 1 -1.290 -3.018 1.051 0.00 0.00 -0.302 N ATOM 5 H TYR A 1 -1.649 -3.567 1.833 0.00 0.00 +0.150 HD ATOM 6 CA TYR A 1 -1.882 -1.673 0.952 0.00 0.00 +0.163 C ATOM 7 C TYR A 1 -1.685 -0.931 2.286 0.00 0.00 +0.234 C ATOM 8 O TYR A 1 -1.603 -1.539 3.354 0.00 0.00 -0.274 OA ATOM 9 N TYR A 2 -1.682 0.429 2.328 0.00 0.00 -0.302 N ATOM 10 H TYR A 2 -1.638 0.767 3.293 0.00 0.00 +0.150 HD ATOM 11 CA TYR A 2 -1.288 1.453 1.329 0.00 0.00 +0.163 C ATOM 12 C TYR A 2 -0.895 2.674 2.198 0.00 0.00 +0.234 C ATOM 13 O TYR A 2 -1.409 2.831 3.312 0.00 0.00 -0.274 OA ATOM 14 N CYS A 3 -0.029 3.630 1.776 0.00 0.00 -0.302 N ATOM 15 H CYS A 3 0.210 4.239 2.555 0.00 0.00 +0.150 HD ATOM 16 CA CYS A 3 1.021 3.561 0.747 0.00 0.00 +0.168 C ATOM 17 C CYS A 3 2.300 2.968 1.379 0.00 0.00 +0.235 C ATOM 18 O CYS A 3 2.487 2.989 2.596 0.00 0.00 -0.274 OA ATOM 19 N VAL A 4 3.244 2.365 0.595 0.00 0.00 -0.302 N ATOM 20 H VAL A 4 4.024 2.003 1.137 0.00 0.00 +0.150 HD ATOM 21 CA VAL A 4 3.265 2.212 -0.856 0.00 0.00 +0.161 C ATOM 22 C VAL A 4 2.514 0.988 -1.419 0.00 0.00 +0.234 C ATOM 23 O VAL A 4 2.021 1.040 -2.553 0.00 0.00 -0.274 OA ATOM 24 N CYS A 5 2.408 -0.207 -0.793 0.00 0.00 -0.302 N ATOM 25 H CYS A 5 2.093 -0.897 -1.467 0.00 0.00 +0.150 HD ATOM 26 CA CYS A 5 3.022 -0.762 0.427 0.00 0.00 +0.168 C ATOM 27 C CYS A 5 3.185 -2.281 0.222 0.00 0.00 +0.235 C ATOM 28 O CYS A 5 4.236 -2.850 0.524 0.00 0.00 -0.274 OA ATOM 29 N ILE A 6 2.155 -3.043 -0.257 0.00 0.00 -0.302 N ATOM 30 H ILE A 6 2.377 -4.034 -0.168 0.00 0.00 +0.150 HD ENDROOT BRANCH 21 31 ATOM 31 CB VAL A 4 4.686 2.334 -1.464 0.00 0.00 +0.012 C ATOM 32 CG2 VAL A 4 5.658 1.234 -1.037 0.00 0.00 +0.009 C ATOM 33 CG1 VAL A 4 5.295 3.709 -1.168 0.00 0.00 +0.009 C ENDBRANCH 21 31 BRANCH 1 34 ATOM 34 CB ILE A 6 0.300 -3.171 -1.883 0.00 0.00 +0.015 C ATOM 35 CG2 ILE A 6 -1.017 -2.518 -2.309 0.00 0.00 +0.010 C BRANCH 34 37 ATOM 36 CD1 ILE A 6 0.088 -5.126 -3.533 0.00 0.00 +0.004 C ATOM 37 CG1 ILE A 6 0.256 -4.704 -2.078 0.00 0.00 +0.002 C ENDBRANCH 34 37 ENDBRANCH 1 34 BRANCH 6 38 ATOM 38 CB TYR A 1 -3.390 -1.740 0.613 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 CG TYR A 1 -4.185 -2.795 1.352 0.00 0.00 -0.045 A ATOM 40 CD2 TYR A 1 -4.411 -4.050 0.766 0.00 0.00 +0.007 A ATOM 41 CE2 TYR A 1 -5.126 -5.032 1.452 0.00 0.00 +0.045 A ATOM 42 CZ TYR A 1 -5.615 -4.765 2.724 0.00 0.00 +0.117 A ATOM 43 CE1 TYR A 1 -5.404 -3.529 3.324 0.00 0.00 +0.045 A ATOM 44 CD1 TYR A 1 -4.689 -2.545 2.636 0.00 0.00 +0.007 A BRANCH 42 45 ATOM 45 OH TYR A 1 -6.304 -5.755 3.360 0.00 0.00 -0.507 OA ATOM 46 HH TYR A 1 -6.544 -5.443 4.248 0.00 0.00 +0.292 HD ENDBRANCH 42 45 ENDBRANCH 38 39 ENDBRANCH 6 38 BRANCH 11 47 ATOM 47 CB TYR A 2 -2.449 1.815 0.393 0.00 0.00 +0.067 C BRANCH 47 48 ATOM 48 CG TYR A 2 -2.079 2.727 -0.751 0.00 0.00 -0.045 A ATOM 49 CD2 TYR A 2 -2.495 4.067 -0.750 0.00 0.00 +0.007 A ATOM 50 CE2 TYR A 2 -2.155 4.918 -1.804 0.00 0.00 +0.045 A ATOM 51 CZ TYR A 2 -1.388 4.429 -2.856 0.00 0.00 +0.117 A ATOM 52 CE1 TYR A 2 -0.970 3.104 -2.877 0.00 0.00 +0.045 A ATOM 53 CD1 TYR A 2 -1.323 2.250 -1.832 0.00 0.00 +0.007 A BRANCH 51 54 ATOM 54 OH TYR A 2 -1.015 5.227 -3.895 0.00 0.00 -0.507 OA ATOM 55 HH TYR A 2 -1.424 6.102 -3.783 0.00 0.00 +0.292 HD ENDBRANCH 51 54 ENDBRANCH 47 48 ENDBRANCH 11 47 BRANCH 16 56 ATOM 56 CB CYS A 3 1.292 4.948 0.137 0.00 0.00 +0.097 C BRANCH 56 57 ATOM 57 SG CYS A 3 1.573 6.282 1.354 0.00 0.00 -0.176 S ATOM 58 HG CYS A 3 0.310 6.353 1.803 0.00 0.00 +0.102 HD ENDBRANCH 56 57 ENDBRANCH 16 56 BRANCH 26 59 ATOM 59 CB CYS A 5 2.202 -0.519 1.702 0.00 0.00 +0.097 C BRANCH 59 60 ATOM 60 SG CYS A 5 3.257 -0.479 3.182 0.00 0.00 -0.176 S ATOM 61 HG CYS A 5 2.283 -0.213 4.068 0.00 0.00 +0.102 HD ENDBRANCH 59 60 ENDBRANCH 26 59 TORSDOF 13