REMARK Name = BDB048405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 4 0.091 1.378 0.395 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C GLU A 3 2.526 1.417 -0.071 0.00 0.00 +0.234 C ATOM 3 N THR A 4 1.228 1.551 -0.517 0.00 0.00 -0.300 N ATOM 4 H THR A 4 1.034 1.326 -1.486 0.00 0.00 +0.150 HD ATOM 5 O GLU A 3 2.807 1.288 1.117 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLU A 3 3.597 1.435 -1.185 0.00 0.00 +0.159 C BRANCH 6 8 ATOM 7 C PRO A 2 5.859 1.851 0.049 0.00 0.00 +0.234 C ATOM 8 N GLU A 3 4.786 2.169 -0.727 0.00 0.00 -0.302 N ATOM 9 H GLU A 3 4.752 3.173 -0.858 0.00 0.00 +0.150 HD ATOM 10 O PRO A 2 6.587 2.792 0.394 0.00 0.00 -0.274 OA BRANCH 7 13 ATOM 11 C ASP A 1 8.397 0.210 -0.488 0.00 0.00 +0.237 C ATOM 12 N PRO A 2 7.596 0.167 0.626 0.00 0.00 -0.288 N ATOM 13 CA PRO A 2 6.149 0.408 0.497 0.00 0.00 +0.162 C ATOM 14 CB PRO A 2 5.595 0.142 1.898 0.00 0.00 +0.033 C ATOM 15 CG PRO A 2 6.620 -0.794 2.527 0.00 0.00 +0.021 C ATOM 16 CD PRO A 2 7.939 -0.302 1.958 0.00 0.00 +0.109 C ATOM 17 O ASP A 1 7.919 0.461 -1.604 0.00 0.00 -0.274 OA BRANCH 11 18 ATOM 18 CA ASP A 1 9.906 -0.109 -0.367 0.00 0.00 +0.170 C BRANCH 18 21 ATOM 19 C UNK A 0 11.945 -0.331 -3.582 0.00 0.00 +0.109 C ATOM 20 C UNK A 0 11.652 -0.464 -2.116 0.00 0.00 +0.211 C ATOM 21 N ASP A 1 10.444 0.041 -1.732 0.00 0.00 -0.304 N ATOM 22 H ASP A 1 9.783 0.392 -2.428 0.00 0.00 +0.149 HD ATOM 23 O UNK A 0 12.421 -1.003 -1.320 0.00 0.00 -0.276 OA ENDBRANCH 18 21 BRANCH 18 24 ATOM 24 CB ASP A 1 10.674 0.795 0.588 0.00 0.00 +0.152 C BRANCH 24 25 ATOM 25 CG ASP A 1 11.319 -0.018 1.675 0.00 0.00 +0.307 C ATOM 26 OD1 ASP A 1 10.943 0.018 2.840 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 OD2 ASP A 1 12.328 -0.813 1.265 0.00 0.00 -0.481 OA ATOM 28 HD2 ASP A 1 12.506 -0.806 0.289 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 6 8 BRANCH 6 29 ATOM 29 CB GLU A 3 3.867 0.043 -1.765 0.00 0.00 +0.043 C BRANCH 29 30 ATOM 30 CG GLU A 3 2.813 -0.414 -2.775 0.00 0.00 +0.123 C BRANCH 30 31 ATOM 31 CD GLU A 3 3.229 -1.668 -3.493 0.00 0.00 +0.305 C ATOM 32 OE1 GLU A 3 3.183 -1.845 -4.700 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 OE2 GLU A 3 3.614 -2.655 -2.666 0.00 0.00 -0.481 OA ATOM 34 HE2 GLU A 3 3.819 -3.403 -3.265 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 35 ATOM 35 C THR A 4 -0.542 -0.004 0.135 0.00 0.00 +0.236 C ATOM 36 N GLY A 5 -1.353 -0.452 1.155 0.00 0.00 -0.305 N ATOM 37 H GLY A 5 -1.617 0.254 1.839 0.00 0.00 +0.149 HD ATOM 38 O THR A 4 -0.382 -0.613 -0.923 0.00 0.00 -0.274 OA BRANCH 36 39 ATOM 39 CA GLY A 5 -2.352 -1.473 0.894 0.00 0.00 +0.200 C BRANCH 39 40 ATOM 40 C GLY A 5 -3.641 -0.785 0.418 0.00 0.00 +0.231 C ATOM 41 N GLU A 6 -4.650 -1.660 0.069 0.00 0.00 -0.303 N ATOM 42 H GLU A 6 -4.596 -2.579 0.505 0.00 0.00 +0.149 HD ATOM 43 O GLY A 5 -3.762 0.441 0.374 0.00 0.00 -0.274 OA BRANCH 41 44 ATOM 44 CA GLU A 6 -6.010 -1.151 -0.110 0.00 0.00 +0.159 C BRANCH 44 45 ATOM 45 C GLU A 6 -6.725 -1.242 1.254 0.00 0.00 +0.234 C ATOM 46 N PHE A 7 -7.793 -0.390 1.406 0.00 0.00 -0.301 N ATOM 47 H PHE A 7 -8.148 0.084 0.581 0.00 0.00 +0.150 HD ATOM 48 O GLU A 6 -6.385 -2.057 2.113 0.00 0.00 -0.274 OA BRANCH 46 49 ATOM 49 CA PHE A 7 -8.752 -0.581 2.501 0.00 0.00 +0.186 C BRANCH 49 50 ATOM 50 C PHE A 7 -9.875 -1.493 1.999 0.00 0.00 +0.326 C ATOM 51 O PHE A 7 -10.020 -1.916 0.860 0.00 0.00 -0.249 OA BRANCH 50 52 ATOM 52 OXT PHE A 7 -10.745 -1.847 2.966 0.00 0.00 -0.479 OA ATOM 53 HXT PHE A 7 -11.379 -2.447 2.517 0.00 0.00 +0.295 HD ENDBRANCH 50 52 ENDBRANCH 49 50 BRANCH 49 54 ATOM 54 CB PHE A 7 -9.283 0.744 3.066 0.00 0.00 +0.069 C BRANCH 54 55 ATOM 55 CG PHE A 7 -9.892 1.676 2.043 0.00 0.00 -0.045 A ATOM 56 CD2 PHE A 7 -9.112 2.678 1.446 0.00 0.00 +0.004 A ATOM 57 CE2 PHE A 7 -9.669 3.541 0.502 0.00 0.00 +0.000 A ATOM 58 CZ PHE A 7 -11.010 3.412 0.146 0.00 0.00 +0.000 A ATOM 59 CE1 PHE A 7 -11.795 2.422 0.734 0.00 0.00 +0.000 A ATOM 60 CD1 PHE A 7 -11.239 1.559 1.679 0.00 0.00 +0.004 A ENDBRANCH 54 55 ENDBRANCH 49 54 ENDBRANCH 46 49 ENDBRANCH 44 45 BRANCH 44 61 ATOM 61 CB GLU A 6 -6.773 -1.915 -1.199 0.00 0.00 +0.043 C BRANCH 61 62 ATOM 62 CG GLU A 6 -7.063 -3.382 -0.869 0.00 0.00 +0.123 C BRANCH 62 63 ATOM 63 CD GLU A 6 -7.749 -4.071 -2.020 0.00 0.00 +0.305 C ATOM 64 OE1 GLU A 6 -7.904 -3.643 -3.150 0.00 0.00 -0.251 OA BRANCH 63 65 ATOM 65 OE2 GLU A 6 -8.171 -5.305 -1.687 0.00 0.00 -0.481 OA ATOM 66 HE2 GLU A 6 -8.583 -5.650 -2.509 0.00 0.00 +0.295 HD ENDBRANCH 63 65 ENDBRANCH 62 63 ENDBRANCH 61 62 ENDBRANCH 44 61 ENDBRANCH 41 44 ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 1 35 BRANCH 1 67 ATOM 67 CB THR A 4 -0.969 2.496 0.229 0.00 0.00 +0.141 C ATOM 68 CG2 THR A 4 -1.581 2.591 -1.166 0.00 0.00 +0.040 C BRANCH 67 69 ATOM 69 OG1 THR A 4 -2.006 2.358 1.209 0.00 0.00 -0.390 OA ATOM 70 HG1 THR A 4 -2.760 1.880 0.791 0.00 0.00 +0.210 HD ENDBRANCH 67 69 ENDBRANCH 1 67 TORSDOF 29