REMARK Name = BDB049941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N THR A 3 0.872 1.835 -1.786 0.00 0.00 -0.300 N ATOM 2 H THR A 3 1.215 2.094 -2.707 0.00 0.00 +0.150 HD ATOM 3 C GLU A 2 1.533 0.907 -1.020 0.00 0.00 +0.234 C ATOM 4 O GLU A 2 1.131 0.560 0.094 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA GLU A 2 2.752 0.259 -1.702 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 N GLU A 2 3.713 -0.069 -0.655 0.00 0.00 -0.303 N ATOM 7 H GLU A 2 3.381 -0.712 0.051 0.00 0.00 +0.149 HD ATOM 8 C PHE A 1 4.668 0.855 -0.273 0.00 0.00 +0.231 C ATOM 9 O PHE A 1 4.867 1.885 -0.914 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA PHE A 1 5.524 0.428 0.945 0.00 0.00 +0.142 C BRANCH 10 11 ATOM 11 N PHE A 1 6.652 1.368 1.118 0.00 0.00 -0.320 NA ATOM 12 H1 PHE A 1 7.006 1.621 0.195 0.00 0.00 +0.119 HD ATOM 13 H2 PHE A 1 7.404 0.896 1.613 0.00 0.00 +0.119 HD ENDBRANCH 10 11 BRANCH 10 14 ATOM 14 CB PHE A 1 4.683 0.353 2.233 0.00 0.00 +0.063 C BRANCH 14 15 ATOM 15 CG PHE A 1 5.339 -0.503 3.296 0.00 0.00 -0.045 A ATOM 16 CD2 PHE A 1 6.178 0.076 4.257 0.00 0.00 +0.004 A ATOM 17 CE2 PHE A 1 6.812 -0.717 5.213 0.00 0.00 +0.000 A ATOM 18 CZ PHE A 1 6.613 -2.096 5.218 0.00 0.00 +0.000 A ATOM 19 CE1 PHE A 1 5.777 -2.684 4.271 0.00 0.00 +0.000 A ATOM 20 CD1 PHE A 1 5.143 -1.892 3.312 0.00 0.00 +0.004 A ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 21 ATOM 21 CB GLU A 2 2.337 -1.019 -2.440 0.00 0.00 +0.043 C BRANCH 21 22 ATOM 22 CG GLU A 2 1.515 -0.754 -3.702 0.00 0.00 +0.123 C BRANCH 22 23 ATOM 23 CD GLU A 2 1.223 -2.036 -4.434 0.00 0.00 +0.305 C ATOM 24 OE1 GLU A 2 1.313 -3.170 -3.997 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 OE2 GLU A 2 0.792 -1.811 -5.690 0.00 0.00 -0.481 OA ATOM 26 HE2 GLU A 2 0.625 -2.708 -6.053 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 5 21 ENDBRANCH 3 5 BRANCH 1 27 ATOM 27 CA THR A 3 -0.374 2.482 -1.363 0.00 0.00 +0.187 C BRANCH 27 30 ATOM 28 N ALA A 4 -1.529 0.350 -0.976 0.00 0.00 -0.303 N ATOM 29 H ALA A 4 -0.932 0.344 -0.149 0.00 0.00 +0.149 HD ATOM 30 C THR A 3 -1.544 1.530 -1.698 0.00 0.00 +0.236 C ATOM 31 O THR A 3 -2.401 1.792 -2.540 0.00 0.00 -0.274 OA BRANCH 28 32 ATOM 32 CA ALA A 4 -2.673 -0.549 -0.981 0.00 0.00 +0.156 C ATOM 33 CB ALA A 4 -2.217 -1.963 -0.639 0.00 0.00 +0.038 C BRANCH 32 36 ATOM 34 N VAL A 5 -4.940 -0.688 -0.032 0.00 0.00 -0.301 N ATOM 35 H VAL A 5 -4.949 -1.605 -0.459 0.00 0.00 +0.150 HD ATOM 36 C ALA A 4 -3.720 -0.044 0.040 0.00 0.00 +0.234 C ATOM 37 O ALA A 4 -3.488 0.853 0.851 0.00 0.00 -0.274 OA BRANCH 34 38 ATOM 38 CA VAL A 5 -5.978 -0.438 0.975 0.00 0.00 +0.184 C BRANCH 38 40 ATOM 39 CG1 VAL A 5 -7.718 -2.080 0.011 0.00 0.00 +0.009 C ATOM 40 CB VAL A 5 -7.381 -0.626 0.361 0.00 0.00 +0.014 C ATOM 41 CG2 VAL A 5 -8.469 -0.042 1.264 0.00 0.00 +0.009 C ENDBRANCH 38 40 BRANCH 38 42 ATOM 42 C VAL A 5 -5.703 -1.373 2.158 0.00 0.00 +0.326 C ATOM 43 O VAL A 5 -5.161 -2.471 2.096 0.00 0.00 -0.249 OA BRANCH 42 44 ATOM 44 OXT VAL A 5 -6.141 -0.890 3.338 0.00 0.00 -0.479 OA ATOM 45 HXT VAL A 5 -5.870 -1.558 3.995 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 38 42 ENDBRANCH 34 38 ENDBRANCH 32 36 ENDBRANCH 28 32 ENDBRANCH 27 30 BRANCH 27 46 ATOM 46 CB THR A 3 -0.563 3.833 -2.088 0.00 0.00 +0.141 C ATOM 47 CG2 THR A 3 0.436 4.881 -1.606 0.00 0.00 +0.040 C BRANCH 46 48 ATOM 48 OG1 THR A 3 -0.364 3.663 -3.502 0.00 0.00 -0.390 OA ATOM 49 HG1 THR A 3 -1.153 3.176 -3.821 0.00 0.00 +0.210 HD ENDBRANCH 46 48 ENDBRANCH 27 46 ENDBRANCH 1 27 TORSDOF 20