REMARK Name = BDB052693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 6 -4.022 1.290 -0.336 0.00 0.00 +0.162 C ATOM 2 C ILE A 6 -3.735 0.245 -1.444 0.00 0.00 +0.234 C ATOM 3 O ILE A 6 -4.410 0.169 -2.476 0.00 0.00 -0.274 OA ATOM 4 N PHE A 1 -2.811 -0.737 -1.276 0.00 0.00 -0.302 N ATOM 5 H PHE A 1 -2.724 -1.289 -2.123 0.00 0.00 +0.150 HD ATOM 6 CA PHE A 1 -1.765 -0.966 -0.258 0.00 0.00 +0.163 C ATOM 7 C PHE A 1 -0.444 -0.952 -1.082 0.00 0.00 +0.234 C ATOM 8 O PHE A 1 -0.379 -0.303 -2.137 0.00 0.00 -0.274 OA ATOM 9 N TYR A 2 0.724 -1.528 -0.726 0.00 0.00 -0.302 N ATOM 10 H TYR A 2 1.436 -1.303 -1.421 0.00 0.00 +0.150 HD ATOM 11 CA TYR A 2 1.139 -2.497 0.287 0.00 0.00 +0.163 C ATOM 12 C TYR A 2 1.567 -1.855 1.619 0.00 0.00 +0.234 C ATOM 13 O TYR A 2 1.246 -2.395 2.685 0.00 0.00 -0.274 OA ATOM 14 N TYR A 3 2.331 -0.736 1.743 0.00 0.00 -0.302 N ATOM 15 H TYR A 3 2.482 -0.588 2.734 0.00 0.00 +0.150 HD ATOM 16 CA TYR A 3 3.423 -0.181 0.917 0.00 0.00 +0.163 C ATOM 17 C TYR A 3 2.943 0.310 -0.458 0.00 0.00 +0.234 C ATOM 18 O TYR A 3 3.115 -0.360 -1.479 0.00 0.00 -0.274 OA ATOM 19 N VAL A 4 2.221 1.464 -0.546 0.00 0.00 -0.302 N ATOM 20 H VAL A 4 1.813 1.625 -1.466 0.00 0.00 +0.150 HD ATOM 21 CA VAL A 4 1.810 2.385 0.511 0.00 0.00 +0.161 C ATOM 22 C VAL A 4 0.301 2.679 0.373 0.00 0.00 +0.234 C ATOM 23 O VAL A 4 -0.299 2.618 -0.697 0.00 0.00 -0.274 OA ATOM 24 N ALA A 5 -0.308 3.071 1.544 0.00 0.00 -0.303 N ATOM 25 H ALA A 5 0.240 3.116 2.394 0.00 0.00 +0.149 HD ATOM 26 CA ALA A 5 -1.664 3.606 1.618 0.00 0.00 +0.156 C ATOM 27 CB ALA A 5 -1.868 4.848 0.757 0.00 0.00 +0.038 C ATOM 28 C ALA A 5 -2.776 2.563 1.384 0.00 0.00 +0.234 C ATOM 29 O ALA A 5 -3.605 2.321 2.261 0.00 0.00 -0.274 OA ATOM 30 N ILE A 6 -2.822 1.987 0.134 0.00 0.00 -0.302 N ATOM 31 H ILE A 6 -2.106 2.244 -0.551 0.00 0.00 +0.150 HD ENDROOT BRANCH 21 32 ATOM 32 CB VAL A 4 2.614 3.709 0.497 0.00 0.00 +0.012 C ATOM 33 CG2 VAL A 4 2.528 4.447 -0.846 0.00 0.00 +0.009 C ATOM 34 CG1 VAL A 4 4.084 3.489 0.864 0.00 0.00 +0.009 C ENDBRANCH 21 32 BRANCH 1 35 ATOM 35 CB ILE A 6 -5.108 2.343 -0.727 0.00 0.00 +0.015 C ATOM 36 CG2 ILE A 6 -4.698 3.208 -1.930 0.00 0.00 +0.010 C BRANCH 35 38 ATOM 37 CD1 ILE A 6 -7.071 0.987 0.231 0.00 0.00 +0.004 C ATOM 38 CG1 ILE A 6 -6.525 1.771 -0.955 0.00 0.00 +0.002 C ENDBRANCH 35 38 ENDBRANCH 1 35 BRANCH 6 39 ATOM 39 CB PHE A 1 -2.078 -2.241 0.531 0.00 0.00 +0.067 C BRANCH 39 40 ATOM 40 CG PHE A 1 -3.457 -2.282 1.154 0.00 0.00 -0.045 A ATOM 41 CD2 PHE A 1 -3.782 -1.444 2.231 0.00 0.00 +0.004 A ATOM 42 CE2 PHE A 1 -5.058 -1.482 2.797 0.00 0.00 +0.000 A ATOM 43 CZ PHE A 1 -6.017 -2.362 2.299 0.00 0.00 +0.000 A ATOM 44 CE1 PHE A 1 -5.702 -3.205 1.236 0.00 0.00 +0.000 A ATOM 45 CD1 PHE A 1 -4.429 -3.165 0.664 0.00 0.00 +0.004 A ENDBRANCH 39 40 ENDBRANCH 6 39 BRANCH 11 46 ATOM 46 CB TYR A 2 2.225 -3.451 -0.243 0.00 0.00 +0.067 C BRANCH 46 47 ATOM 47 CG TYR A 2 1.651 -4.513 -1.157 0.00 0.00 -0.045 A ATOM 48 CD2 TYR A 2 1.285 -5.766 -0.643 0.00 0.00 +0.007 A ATOM 49 CE2 TYR A 2 0.726 -6.733 -1.480 0.00 0.00 +0.045 A ATOM 50 CZ TYR A 2 0.526 -6.450 -2.826 0.00 0.00 +0.117 A ATOM 51 CE1 TYR A 2 0.880 -5.212 -3.353 0.00 0.00 +0.045 A ATOM 52 CD1 TYR A 2 1.444 -4.245 -2.519 0.00 0.00 +0.007 A BRANCH 50 53 ATOM 53 OH TYR A 2 -0.033 -7.420 -3.604 0.00 0.00 -0.507 OA ATOM 54 HH TYR A 2 -0.128 -7.072 -4.506 0.00 0.00 +0.292 HD ENDBRANCH 50 53 ENDBRANCH 46 47 ENDBRANCH 11 46 BRANCH 16 55 ATOM 55 CB TYR A 3 4.654 -1.104 0.837 0.00 0.00 +0.067 C BRANCH 55 56 ATOM 56 CG TYR A 3 5.923 -0.308 0.616 0.00 0.00 -0.045 A ATOM 57 CD2 TYR A 3 6.669 0.161 1.706 0.00 0.00 +0.007 A ATOM 58 CE2 TYR A 3 7.805 0.944 1.497 0.00 0.00 +0.045 A ATOM 59 CZ TYR A 3 8.194 1.267 0.203 0.00 0.00 +0.117 A ATOM 60 CE1 TYR A 3 7.472 0.806 -0.892 0.00 0.00 +0.045 A ATOM 61 CD1 TYR A 3 6.339 0.017 -0.685 0.00 0.00 +0.007 A BRANCH 59 62 ATOM 62 OH TYR A 3 9.299 2.050 0.047 0.00 0.00 -0.507 OA ATOM 63 HH TYR A 3 9.404 2.246 -0.897 0.00 0.00 +0.292 HD ENDBRANCH 59 62 ENDBRANCH 55 56 ENDBRANCH 16 55 TORSDOF 11