REMARK Name = BDB045435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C VAL A 2 2.713 0.598 -0.589 0.00 0.00 +0.237 C ATOM 2 N UNK A 3 1.683 0.096 -1.361 0.00 0.00 -0.286 N ATOM 3 C UNK A 3 0.895 1.018 -2.189 0.00 0.00 +0.164 C ATOM 4 C UNK A 3 0.019 2.040 -1.441 0.00 0.00 +0.234 C ATOM 5 N PHE A 4 -0.382 1.668 -0.176 0.00 0.00 -0.302 N ATOM 6 H PHE A 4 -0.220 0.692 0.078 0.00 0.00 +0.150 HD ATOM 7 CA PHE A 4 -1.351 2.422 0.623 0.00 0.00 +0.163 C ATOM 8 C PHE A 4 -2.769 2.083 0.115 0.00 0.00 +0.234 C ATOM 9 N UNK A 5 -3.340 0.891 0.479 0.00 0.00 -0.301 N ATOM 10 H UNK A 5 -4.242 0.792 0.024 0.00 0.00 +0.150 HD ATOM 11 C UNK A 5 -3.146 0.188 1.751 0.00 0.00 +0.186 C ATOM 12 C UNK A 5 -4.383 -0.663 2.126 0.00 0.00 +0.069 C ATOM 13 C UNK A 5 -4.744 -1.735 1.122 0.00 0.00 -0.045 A ATOM 14 C UNK A 5 -5.799 -1.542 0.218 0.00 0.00 +0.005 A ATOM 15 C UNK A 5 -6.087 -2.501 -0.755 0.00 0.00 +0.023 A ATOM 16 C UNK A 5 -5.293 -3.647 -0.867 0.00 0.00 +0.033 A ATOM 17 N UNK A 5 -5.545 -4.528 -1.933 0.00 0.00 -0.285 N ATOM 18 H UNK A 5 -6.482 -4.544 -2.321 0.00 0.00 +0.155 HD ATOM 19 C UNK A 5 -4.651 -5.183 -2.742 0.00 0.00 +0.218 C ATOM 20 C UNK A 5 -3.170 -4.906 -2.608 0.00 0.00 +0.102 C ATOM 21 C UNK A 5 -2.494 -4.806 -3.978 0.00 0.00 +0.068 C ATOM 22 C UNK A 5 -1.275 -3.957 -3.891 0.00 0.00 +0.083 A ATOM 23 N UNK A 5 -0.018 -4.499 -3.866 0.00 0.00 -0.134 NA ATOM 24 N UNK A 5 0.851 -3.514 -3.686 0.00 0.00 -0.065 NA ATOM 25 N UNK A 5 0.152 -2.372 -3.553 0.00 0.00 -0.247 N ATOM 26 C UNK A 5 0.848 -1.158 -3.209 0.00 0.00 +0.128 C ATOM 27 C UNK A 5 -1.181 -2.592 -3.728 0.00 0.00 +0.134 A ATOM 28 O UNK A 5 -5.085 -5.949 -3.606 0.00 0.00 -0.275 OA ATOM 29 C UNK A 5 -4.293 -3.883 0.078 0.00 0.00 +0.023 A ATOM 30 C UNK A 5 -4.023 -2.935 1.066 0.00 0.00 +0.005 A ATOM 31 O PHE A 4 -3.410 2.783 -0.665 0.00 0.00 -0.274 OA ATOM 32 O UNK A 3 -0.411 3.037 -2.018 0.00 0.00 -0.274 OA ATOM 33 C UNK A 3 -0.007 0.099 -3.023 0.00 0.00 +0.060 C ATOM 34 C UNK A 5 1.555 -1.272 -1.857 0.00 0.00 +0.135 C ATOM 35 O VAL A 2 2.822 1.818 -0.428 0.00 0.00 -0.274 OA ENDROOT BRANCH 11 36 ATOM 36 C UNK A 5 -1.849 -0.649 1.787 0.00 0.00 +0.326 C ATOM 37 O UNK A 5 -1.113 -0.854 0.828 0.00 0.00 -0.249 OA BRANCH 36 38 ATOM 38 O UNK A 5 -1.528 -1.118 3.014 0.00 0.00 -0.479 OA ATOM 39 H UNK A 5 -2.119 -0.849 3.745 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 11 36 BRANCH 1 40 ATOM 40 CA VAL A 2 3.765 -0.378 0.029 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C ALA A 1 5.823 0.991 -0.017 0.00 0.00 +0.230 C ATOM 42 N VAL A 2 4.780 0.436 0.712 0.00 0.00 -0.302 N ATOM 43 H VAL A 2 4.428 1.010 1.466 0.00 0.00 +0.150 HD ATOM 44 O ALA A 1 6.079 0.651 -1.173 0.00 0.00 -0.274 OA BRANCH 41 45 ATOM 45 CA ALA A 1 6.643 2.060 0.749 0.00 0.00 +0.137 C ATOM 46 CB ALA A 1 5.792 3.297 1.045 0.00 0.00 +0.034 C BRANCH 45 48 ATOM 47 C ACE A 0 8.948 1.573 0.142 0.00 0.00 +0.101 C ATOM 48 N ALA A 1 7.818 2.481 -0.050 0.00 0.00 -0.309 NA ATOM 49 H ALA A 1 7.541 2.424 -1.038 0.00 0.00 +0.122 HD ENDBRANCH 45 48 ENDBRANCH 41 45 ENDBRANCH 40 42 BRANCH 40 50 ATOM 50 CB VAL A 2 3.189 -1.456 0.975 0.00 0.00 +0.012 C ATOM 51 CG2 VAL A 2 2.417 -0.908 2.182 0.00 0.00 +0.009 C ATOM 52 CG1 VAL A 2 4.289 -2.414 1.447 0.00 0.00 +0.009 C ENDBRANCH 40 50 ENDBRANCH 1 40 BRANCH 7 53 ATOM 53 CB PHE A 4 -1.089 3.938 0.680 0.00 0.00 +0.067 C BRANCH 53 54 ATOM 54 CG PHE A 4 -1.740 4.558 1.903 0.00 0.00 -0.045 A ATOM 55 CD2 PHE A 4 -3.037 5.087 1.820 0.00 0.00 +0.004 A ATOM 56 CE2 PHE A 4 -3.651 5.630 2.948 0.00 0.00 +0.000 A ATOM 57 CZ PHE A 4 -2.973 5.656 4.165 0.00 0.00 +0.000 A ATOM 58 CE1 PHE A 4 -1.683 5.130 4.256 0.00 0.00 +0.000 A ATOM 59 CD1 PHE A 4 -1.068 4.580 3.130 0.00 0.00 +0.004 A ENDBRANCH 53 54 ENDBRANCH 7 53 TORSDOF 9