REMARK Name = BDB054037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PRO A 3 -0.984 -2.511 -0.566 0.00 0.00 +0.162 C ATOM 2 N PRO A 3 0.334 -1.915 -0.295 0.00 0.00 -0.288 N ATOM 3 C CYS A 2 0.698 -0.693 -0.816 0.00 0.00 +0.237 C ATOM 4 O CYS A 2 -0.109 0.001 -1.447 0.00 0.00 -0.274 OA ATOM 5 CD PRO A 3 1.227 -2.887 0.323 0.00 0.00 +0.109 C ATOM 6 CG PRO A 3 0.325 -4.045 0.719 0.00 0.00 +0.021 C ATOM 7 CB PRO A 3 -0.759 -4.010 -0.352 0.00 0.00 +0.033 C ENDROOT BRANCH 1 10 ATOM 8 N ILE A 4 -2.179 -0.561 0.337 0.00 0.00 -0.301 N ATOM 9 H ILE A 4 -1.760 -0.108 -0.476 0.00 0.00 +0.150 HD ATOM 10 C PRO A 3 -2.076 -1.937 0.369 0.00 0.00 +0.234 C ATOM 11 O PRO A 3 -2.845 -2.638 1.021 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 CA ILE A 4 -3.289 0.133 0.992 0.00 0.00 +0.185 C BRANCH 12 13 ATOM 13 CB ILE A 4 -2.908 1.594 1.329 0.00 0.00 +0.017 C ATOM 14 CG2 ILE A 4 -4.017 2.292 2.127 0.00 0.00 +0.010 C BRANCH 13 16 ATOM 15 CD1 ILE A 4 -1.458 0.953 3.380 0.00 0.00 +0.004 C ATOM 16 CG1 ILE A 4 -1.555 1.720 2.068 0.00 0.00 +0.002 C ENDBRANCH 13 16 ENDBRANCH 12 13 BRANCH 12 17 ATOM 17 C ILE A 4 -4.471 0.091 0.016 0.00 0.00 +0.326 C ATOM 18 O ILE A 4 -4.409 0.148 -1.204 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 OXT ILE A 4 -5.667 0.008 0.632 0.00 0.00 -0.479 OA ATOM 20 HXT ILE A 4 -6.312 -0.046 -0.104 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 CA CYS A 2 2.121 -0.176 -0.531 0.00 0.00 +0.169 C BRANCH 21 22 ATOM 22 N CYS A 2 2.405 0.836 -1.556 0.00 0.00 -0.302 N ATOM 23 H CYS A 2 1.598 1.243 -2.023 0.00 0.00 +0.150 HD ATOM 24 C ALA A 1 3.673 1.182 -1.946 0.00 0.00 +0.230 C ATOM 25 O ALA A 1 4.678 0.704 -1.423 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 CA ALA A 1 3.737 2.237 -3.073 0.00 0.00 +0.135 C ATOM 27 CB ALA A 1 3.205 1.667 -4.382 0.00 0.00 +0.033 C BRANCH 26 28 ATOM 28 N ALA A 1 5.129 2.689 -3.261 0.00 0.00 -0.320 NA ATOM 29 H1 ALA A 1 5.481 3.007 -2.355 0.00 0.00 +0.119 HD ATOM 30 H2 ALA A 1 5.700 1.863 -3.458 0.00 0.00 +0.119 HD ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 21 22 BRANCH 21 31 ATOM 31 CB CYS A 2 2.162 0.410 0.889 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 SG CYS A 2 3.806 0.284 1.667 0.00 0.00 -0.176 S ATOM 33 HG CYS A 2 4.516 0.675 0.591 0.00 0.00 +0.102 HD ENDBRANCH 31 32 ENDBRANCH 21 31 ENDBRANCH 3 21 TORSDOF 12