REMARK Name = BDB059975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA TRP A 5 -1.064 0.279 -1.830 0.00 0.00 +0.163 C ENDROOT BRANCH 1 4 ATOM 2 N LYS A 6 -3.465 0.696 -2.226 0.00 0.00 -0.302 N ATOM 3 H LYS A 6 -3.139 1.572 -2.639 0.00 0.00 +0.150 HD ATOM 4 C TRP A 5 -2.539 -0.045 -1.522 0.00 0.00 +0.234 C ATOM 5 O TRP A 5 -2.845 -0.887 -0.675 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA LYS A 6 -4.903 0.608 -1.959 0.00 0.00 +0.159 C BRANCH 6 9 ATOM 7 N LEU A 7 -6.353 0.484 0.073 0.00 0.00 -0.302 N ATOM 8 H LEU A 7 -7.091 0.227 -0.569 0.00 0.00 +0.150 HD ATOM 9 C LYS A 6 -5.205 1.009 -0.488 0.00 0.00 +0.234 C ATOM 10 O LYS A 6 -4.491 1.818 0.105 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA LEU A 7 -6.823 0.910 1.395 0.00 0.00 +0.159 C BRANCH 11 14 ATOM 12 N LEU A 8 -7.551 3.083 2.388 0.00 0.00 -0.301 N ATOM 13 H LEU A 8 -6.944 2.874 3.171 0.00 0.00 +0.150 HD ATOM 14 C LEU A 7 -7.429 2.334 1.239 0.00 0.00 +0.234 C ATOM 15 O LEU A 7 -7.880 2.724 0.160 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 CA LEU A 8 -8.062 4.453 2.348 0.00 0.00 +0.182 C BRANCH 16 17 ATOM 17 C LEU A 8 -7.546 5.201 3.577 0.00 0.00 +0.325 C ATOM 18 O LEU A 8 -6.894 4.705 4.486 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 OXT LEU A 8 -7.837 6.515 3.579 0.00 0.00 -0.479 OA ATOM 20 HXT LEU A 8 -7.415 6.865 4.391 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 BRANCH 16 21 ATOM 21 CB LEU A 8 -9.587 4.545 2.169 0.00 0.00 +0.036 C BRANCH 21 23 ATOM 22 CD1 LEU A 8 -10.436 2.327 3.176 0.00 0.00 +0.007 C ATOM 23 CG LEU A 8 -10.528 3.855 3.184 0.00 0.00 -0.015 C ATOM 24 CD2 LEU A 8 -10.406 4.398 4.608 0.00 0.00 +0.007 C ENDBRANCH 21 23 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 11 14 BRANCH 11 25 ATOM 25 CB LEU A 7 -5.789 0.738 2.521 0.00 0.00 +0.034 C BRANCH 25 26 ATOM 26 CG LEU A 7 -5.115 -0.648 2.587 0.00 0.00 -0.015 C ATOM 27 CD2 LEU A 7 -6.119 -1.756 2.911 0.00 0.00 +0.007 C ATOM 28 CD1 LEU A 7 -4.000 -0.628 3.634 0.00 0.00 +0.007 C ENDBRANCH 25 26 ENDBRANCH 11 25 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 29 ATOM 29 CB LYS A 6 -5.580 -0.642 -2.550 0.00 0.00 +0.032 C BRANCH 29 30 ATOM 30 CG LYS A 6 -5.224 -1.999 -1.933 0.00 0.00 +0.003 C BRANCH 30 31 ATOM 31 CD LYS A 6 -6.113 -3.111 -2.496 0.00 0.00 +0.015 C BRANCH 31 32 ATOM 32 CE LYS A 6 -5.722 -4.477 -1.941 0.00 0.00 +0.077 C BRANCH 32 33 ATOM 33 NZ LYS A 6 -6.597 -5.510 -2.487 0.00 0.00 -0.330 NA ATOM 34 HZ1 LYS A 6 -6.495 -5.538 -3.500 0.00 0.00 +0.118 HD ATOM 35 HZ2 LYS A 6 -6.296 -6.421 -2.144 0.00 0.00 +0.118 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 36 ATOM 36 N TRP A 5 -0.251 -0.484 -0.885 0.00 0.00 -0.302 N ATOM 37 H TRP A 5 -0.703 -1.313 -0.500 0.00 0.00 +0.150 HD ATOM 38 C LEU A 4 0.982 -0.069 -0.444 0.00 0.00 +0.234 C ATOM 39 O LEU A 4 1.507 0.964 -0.858 0.00 0.00 -0.274 OA BRANCH 38 40 ATOM 40 CA LEU A 4 1.635 -1.025 0.595 0.00 0.00 +0.159 C BRANCH 40 41 ATOM 41 N LEU A 4 3.027 -0.646 0.851 0.00 0.00 -0.302 N ATOM 42 H LEU A 4 3.143 0.174 1.445 0.00 0.00 +0.150 HD ATOM 43 C ASP A 3 4.010 -0.926 -0.074 0.00 0.00 +0.234 C ATOM 44 O ASP A 3 3.795 -1.636 -1.058 0.00 0.00 -0.274 OA BRANCH 43 45 ATOM 45 CA ASP A 3 5.419 -0.337 0.221 0.00 0.00 +0.169 C BRANCH 45 46 ATOM 46 N ASP A 3 6.311 -0.793 -0.852 0.00 0.00 -0.302 N ATOM 47 H ASP A 3 5.884 -0.910 -1.767 0.00 0.00 +0.150 HD ATOM 48 C SER A 2 7.676 -0.815 -0.707 0.00 0.00 +0.236 C ATOM 49 O SER A 2 8.234 -0.599 0.367 0.00 0.00 -0.274 OA BRANCH 48 50 ATOM 50 CA SER A 2 8.470 -1.182 -1.972 0.00 0.00 +0.184 C BRANCH 50 51 ATOM 51 N SER A 2 9.657 -0.333 -2.012 0.00 0.00 -0.301 N ATOM 52 H SER A 2 10.397 -0.595 -1.366 0.00 0.00 +0.150 HD ATOM 53 C PHE A 1 9.553 0.985 -2.400 0.00 0.00 +0.231 C ATOM 54 O PHE A 1 8.539 1.438 -2.929 0.00 0.00 -0.274 OA BRANCH 53 55 ATOM 55 CA PHE A 1 10.804 1.843 -2.108 0.00 0.00 +0.142 C BRANCH 55 56 ATOM 56 N PHE A 1 10.758 3.064 -2.941 0.00 0.00 -0.320 NA ATOM 57 H1 PHE A 1 10.680 2.779 -3.918 0.00 0.00 +0.119 HD ATOM 58 H2 PHE A 1 9.861 3.525 -2.755 0.00 0.00 +0.119 HD ENDBRANCH 55 56 BRANCH 55 59 ATOM 59 CB PHE A 1 10.838 2.179 -0.607 0.00 0.00 +0.063 C BRANCH 59 60 ATOM 60 CG PHE A 1 12.231 2.434 -0.077 0.00 0.00 -0.045 A ATOM 61 CD2 PHE A 1 12.853 3.673 -0.282 0.00 0.00 +0.004 A ATOM 62 CE2 PHE A 1 14.140 3.910 0.205 0.00 0.00 +0.000 A ATOM 63 CZ PHE A 1 14.819 2.911 0.897 0.00 0.00 +0.000 A ATOM 64 CE1 PHE A 1 14.213 1.670 1.100 0.00 0.00 +0.000 A ATOM 65 CD1 PHE A 1 12.926 1.429 0.614 0.00 0.00 +0.004 A ENDBRANCH 59 60 ENDBRANCH 55 59 ENDBRANCH 53 55 ENDBRANCH 50 51 BRANCH 50 66 ATOM 66 CB SER A 2 8.856 -2.665 -1.877 0.00 0.00 +0.187 C BRANCH 66 67 ATOM 67 OG SER A 2 9.857 -2.876 -0.872 0.00 0.00 -0.393 OA ATOM 68 H SER A 2 9.473 -2.595 -0.017 0.00 0.00 +0.209 HD ENDBRANCH 66 67 ENDBRANCH 50 66 ENDBRANCH 48 50 ENDBRANCH 45 46 BRANCH 45 69 ATOM 69 CB ASP A 3 5.529 1.182 0.393 0.00 0.00 +0.152 C BRANCH 69 70 ATOM 70 CG ASP A 3 4.223 1.878 0.184 0.00 0.00 +0.307 C ATOM 71 OD1 ASP A 3 3.465 2.185 1.089 0.00 0.00 -0.251 OA BRANCH 70 72 ATOM 72 OD2 ASP A 3 3.884 1.966 -1.111 0.00 0.00 -0.481 OA ATOM 73 HD2 ASP A 3 2.891 2.042 -1.126 0.00 0.00 +0.295 HD ENDBRANCH 70 72 ENDBRANCH 69 70 ENDBRANCH 45 69 ENDBRANCH 43 45 ENDBRANCH 40 41 BRANCH 40 74 ATOM 74 CB LEU A 4 0.829 -0.990 1.907 0.00 0.00 +0.034 C BRANCH 74 75 ATOM 75 CG LEU A 4 1.285 -2.003 2.977 0.00 0.00 -0.015 C ATOM 76 CD2 LEU A 4 0.520 -1.759 4.282 0.00 0.00 +0.007 C ATOM 77 CD1 LEU A 4 1.076 -3.451 2.529 0.00 0.00 +0.007 C ENDBRANCH 74 75 ENDBRANCH 40 74 ENDBRANCH 38 40 ENDBRANCH 1 36 BRANCH 1 78 ATOM 78 CB TRP A 5 -0.668 0.012 -3.290 0.00 0.00 +0.069 C BRANCH 78 79 ATOM 79 CG TRP A 5 -1.100 -1.321 -3.833 0.00 0.00 -0.020 A ATOM 80 CD2 TRP A 5 -0.462 -2.593 -3.654 0.00 0.00 +0.003 A ATOM 81 CE2 TRP A 5 -1.229 -3.542 -4.336 0.00 0.00 +0.047 A ATOM 82 CZ2 TRP A 5 -0.901 -4.902 -4.372 0.00 0.00 +0.026 A ATOM 83 CH2 TRP A 5 0.248 -5.313 -3.697 0.00 0.00 +0.002 A ATOM 84 CZ3 TRP A 5 1.038 -4.393 -3.010 0.00 0.00 +0.001 A ATOM 85 NE1 TRP A 5 -2.284 -2.875 -4.914 0.00 0.00 -0.360 N ATOM 86 HE1 TRP A 5 -2.994 -3.309 -5.490 0.00 0.00 +0.165 HD ATOM 87 CE3 TRP A 5 0.702 -3.034 -2.990 0.00 0.00 +0.010 A ATOM 88 CD1 TRP A 5 -2.209 -1.540 -4.628 0.00 0.00 +0.087 A ENDBRANCH 78 79 ENDBRANCH 1 78 TORSDOF 37