REMARK Name = BDB059976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N TRP A 5 -0.733 -1.896 1.241 0.00 0.00 -0.302 N ATOM 2 H TRP A 5 -0.525 -1.912 2.232 0.00 0.00 +0.150 HD ATOM 3 C LEU A 4 0.168 -1.225 0.432 0.00 0.00 +0.234 C ATOM 4 O LEU A 4 -0.134 -0.801 -0.683 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA LEU A 4 1.570 -1.024 1.062 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 N LEU A 4 2.427 -0.395 0.064 0.00 0.00 -0.302 N ATOM 7 H LEU A 4 2.110 0.511 -0.281 0.00 0.00 +0.150 HD ATOM 8 C ASP A 3 3.160 -1.146 -0.825 0.00 0.00 +0.234 C ATOM 9 O ASP A 3 3.263 -2.371 -0.750 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA ASP A 3 3.866 -0.321 -1.918 0.00 0.00 +0.169 C BRANCH 10 11 ATOM 11 N ASP A 3 4.942 -1.156 -2.467 0.00 0.00 -0.302 N ATOM 12 H ASP A 3 4.994 -2.108 -2.089 0.00 0.00 +0.150 HD ATOM 13 C SER A 2 6.108 -0.598 -2.921 0.00 0.00 +0.236 C ATOM 14 O SER A 2 6.250 0.626 -3.016 0.00 0.00 -0.274 OA BRANCH 13 15 ATOM 15 CA SER A 2 7.270 -1.550 -3.281 0.00 0.00 +0.184 C BRANCH 15 16 ATOM 16 N SER A 2 8.477 -0.990 -2.649 0.00 0.00 -0.301 N ATOM 17 H SER A 2 8.762 -0.103 -3.048 0.00 0.00 +0.150 HD ATOM 18 C PHE A 1 8.723 -1.113 -1.294 0.00 0.00 +0.231 C ATOM 19 O PHE A 1 8.167 -1.957 -0.594 0.00 0.00 -0.274 OA BRANCH 18 20 ATOM 20 CA PHE A 1 9.740 -0.079 -0.745 0.00 0.00 +0.142 C BRANCH 20 21 ATOM 21 N PHE A 1 9.200 1.283 -0.964 0.00 0.00 -0.320 NA ATOM 22 H1 PHE A 1 8.216 1.309 -0.684 0.00 0.00 +0.119 HD ATOM 23 H2 PHE A 1 9.218 1.535 -1.954 0.00 0.00 +0.119 HD ENDBRANCH 20 21 BRANCH 20 24 ATOM 24 CB PHE A 1 9.998 -0.339 0.753 0.00 0.00 +0.063 C BRANCH 24 25 ATOM 25 CG PHE A 1 11.236 0.343 1.289 0.00 0.00 -0.045 A ATOM 26 CD2 PHE A 1 11.206 1.700 1.639 0.00 0.00 +0.004 A ATOM 27 CE2 PHE A 1 12.344 2.331 2.140 0.00 0.00 +0.000 A ATOM 28 CZ PHE A 1 13.527 1.611 2.301 0.00 0.00 +0.000 A ATOM 29 CE1 PHE A 1 13.572 0.264 1.951 0.00 0.00 +0.000 A ATOM 30 CD1 PHE A 1 12.434 -0.369 1.446 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 15 16 BRANCH 15 31 ATOM 31 CB SER A 2 7.035 -3.055 -3.087 0.00 0.00 +0.187 C BRANCH 31 32 ATOM 32 OG SER A 2 6.441 -3.384 -1.837 0.00 0.00 -0.393 OA ATOM 33 H SER A 2 7.067 -3.080 -1.138 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 15 31 ENDBRANCH 13 15 ENDBRANCH 10 11 BRANCH 10 34 ATOM 34 CB ASP A 3 2.884 0.094 -3.013 0.00 0.00 +0.152 C BRANCH 34 35 ATOM 35 CG ASP A 3 2.355 1.486 -2.810 0.00 0.00 +0.307 C ATOM 36 OD1 ASP A 3 2.195 2.320 -3.688 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 OD2 ASP A 3 2.000 1.770 -1.542 0.00 0.00 -0.481 OA ATOM 38 HD2 ASP A 3 1.616 2.672 -1.622 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 10 34 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 39 ATOM 39 CB LEU A 4 1.481 -0.134 2.315 0.00 0.00 +0.034 C BRANCH 39 40 ATOM 40 CG LEU A 4 2.831 0.195 2.983 0.00 0.00 -0.015 C ATOM 41 CD2 LEU A 4 3.575 -1.061 3.436 0.00 0.00 +0.007 C ATOM 42 CD1 LEU A 4 2.603 1.122 4.183 0.00 0.00 +0.007 C ENDBRANCH 39 40 ENDBRANCH 5 39 ENDBRANCH 3 5 BRANCH 1 43 ATOM 43 CA TRP A 5 -2.163 -1.849 0.916 0.00 0.00 +0.163 C BRANCH 43 46 ATOM 44 N LYS A 6 -3.714 0.043 0.556 0.00 0.00 -0.302 N ATOM 45 H LYS A 6 -4.302 -0.632 0.068 0.00 0.00 +0.150 HD ATOM 46 C TRP A 5 -2.657 -0.431 1.300 0.00 0.00 +0.234 C ATOM 47 O TRP A 5 -2.120 0.231 2.192 0.00 0.00 -0.274 OA BRANCH 44 48 ATOM 48 CA LYS A 6 -4.290 1.359 0.776 0.00 0.00 +0.159 C BRANCH 48 51 ATOM 49 N LEU A 7 -6.202 2.188 2.073 0.00 0.00 -0.301 N ATOM 50 H LEU A 7 -5.482 2.603 2.654 0.00 0.00 +0.150 HD ATOM 51 C LYS A 6 -5.777 1.237 1.165 0.00 0.00 +0.234 C ATOM 52 O LYS A 6 -6.525 0.402 0.666 0.00 0.00 -0.274 OA BRANCH 49 53 ATOM 53 CA LEU A 7 -7.579 2.259 2.570 0.00 0.00 +0.182 C BRANCH 53 54 ATOM 54 C LEU A 7 -8.045 0.979 3.307 0.00 0.00 +0.325 C ATOM 55 O LEU A 7 -7.320 0.031 3.580 0.00 0.00 -0.249 OA BRANCH 54 56 ATOM 56 OXT LEU A 7 -9.326 1.013 3.746 0.00 0.00 -0.479 OA ATOM 57 HXT LEU A 7 -9.829 1.822 3.542 0.00 0.00 +0.295 HD ENDBRANCH 54 56 ENDBRANCH 53 54 BRANCH 53 58 ATOM 58 CB LEU A 7 -8.554 2.925 1.577 0.00 0.00 +0.036 C BRANCH 58 60 ATOM 59 CD1 LEU A 7 -9.708 0.896 0.510 0.00 0.00 +0.007 C ATOM 60 CG LEU A 7 -8.943 2.198 0.276 0.00 0.00 -0.015 C ATOM 61 CD2 LEU A 7 -9.798 3.133 -0.591 0.00 0.00 +0.007 C ENDBRANCH 58 60 ENDBRANCH 53 58 ENDBRANCH 49 53 ENDBRANCH 48 51 BRANCH 48 62 ATOM 62 CB LYS A 6 -4.121 2.262 -0.459 0.00 0.00 +0.032 C BRANCH 62 63 ATOM 63 CG LYS A 6 -4.752 1.699 -1.743 0.00 0.00 +0.003 C BRANCH 63 64 ATOM 64 CD LYS A 6 -4.562 2.657 -2.924 0.00 0.00 +0.015 C BRANCH 64 65 ATOM 65 CE LYS A 6 -5.047 2.083 -4.258 0.00 0.00 +0.077 C BRANCH 65 66 ATOM 66 NZ LYS A 6 -6.479 1.803 -4.272 0.00 0.00 -0.330 NA ATOM 67 HZ1 LYS A 6 -6.689 1.038 -3.629 0.00 0.00 +0.118 HD ATOM 68 HZ2 LYS A 6 -6.991 2.615 -3.928 0.00 0.00 +0.118 HD ENDBRANCH 65 66 ENDBRANCH 64 65 ENDBRANCH 63 64 ENDBRANCH 62 63 ENDBRANCH 48 62 ENDBRANCH 44 48 ENDBRANCH 43 46 BRANCH 43 69 ATOM 69 CB TRP A 5 -2.917 -2.930 1.700 0.00 0.00 +0.069 C BRANCH 69 70 ATOM 70 CG TRP A 5 -4.383 -2.949 1.425 0.00 0.00 -0.020 A ATOM 71 CD2 TRP A 5 -5.041 -3.415 0.244 0.00 0.00 +0.003 A ATOM 72 CE2 TRP A 5 -6.401 -3.134 0.386 0.00 0.00 +0.047 A ATOM 73 CZ2 TRP A 5 -7.340 -3.421 -0.610 0.00 0.00 +0.026 A ATOM 74 CH2 TRP A 5 -6.876 -4.019 -1.786 0.00 0.00 +0.002 A ATOM 75 CZ3 TRP A 5 -5.527 -4.317 -1.955 0.00 0.00 +0.001 A ATOM 76 NE1 TRP A 5 -6.568 -2.541 1.615 0.00 0.00 -0.360 N ATOM 77 HE1 TRP A 5 -7.438 -2.167 1.972 0.00 0.00 +0.165 HD ATOM 78 CE3 TRP A 5 -4.598 -4.019 -0.951 0.00 0.00 +0.010 A ATOM 79 CD1 TRP A 5 -5.364 -2.452 2.259 0.00 0.00 +0.087 A ENDBRANCH 69 70 ENDBRANCH 43 69 ENDBRANCH 1 43 TORSDOF 33