REMARK Name = BDB061520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 7 5.968 -1.164 -0.344 0.00 0.00 +0.162 C ATOM 2 C ILE A 7 6.164 -0.657 -1.788 0.00 0.00 +0.234 C ATOM 3 O ILE A 7 5.319 -0.848 -2.664 0.00 0.00 -0.274 OA ATOM 4 N UNK A 1 7.215 0.179 -2.057 0.00 0.00 -0.301 N ATOM 5 H UNK A 1 7.092 0.554 -2.998 0.00 0.00 +0.150 HD ATOM 6 C UNK A 1 8.630 -0.128 -1.804 0.00 0.00 +0.184 C ATOM 7 C UNK A 1 9.195 -0.014 -0.378 0.00 0.00 +0.236 C ATOM 8 O UNK A 1 10.135 -0.736 -0.030 0.00 0.00 -0.274 OA ATOM 9 N UNK A 1 8.792 0.929 0.513 0.00 0.00 -0.302 N ATOM 10 H UNK A 1 9.441 0.981 1.289 0.00 0.00 +0.150 HD ATOM 11 C UNK A 1 7.891 2.076 0.344 0.00 0.00 +0.159 C ATOM 12 C UNK A 1 8.644 3.240 -0.346 0.00 0.00 +0.234 C ATOM 13 O UNK A 1 9.877 3.292 -0.369 0.00 0.00 -0.274 OA ATOM 14 N UNK A 1 7.955 4.235 -0.977 0.00 0.00 -0.305 N ATOM 15 H UNK A 1 8.550 4.878 -1.483 0.00 0.00 +0.149 HD ATOM 16 C UNK A 1 6.517 4.388 -1.121 0.00 0.00 +0.200 C ATOM 17 C UNK A 1 5.905 3.461 -2.186 0.00 0.00 +0.231 C ATOM 18 O UNK A 1 6.597 2.795 -2.961 0.00 0.00 -0.274 OA ATOM 19 N UNK A 1 4.542 3.362 -2.265 0.00 0.00 -0.305 N ATOM 20 H UNK A 1 4.217 2.693 -2.955 0.00 0.00 +0.149 HD ATOM 21 C UNK A 1 3.565 4.287 -1.697 0.00 0.00 +0.200 C ATOM 22 C UNK A 1 3.264 4.042 -0.212 0.00 0.00 +0.231 C ATOM 23 O UNK A 1 3.991 3.348 0.508 0.00 0.00 -0.274 OA ATOM 24 N UNK A 1 2.225 4.692 0.389 0.00 0.00 -0.302 N ATOM 25 H UNK A 1 2.160 4.400 1.360 0.00 0.00 +0.150 HD ATOM 26 C UNK A 1 0.997 5.220 -0.240 0.00 0.00 +0.168 C ATOM 27 C UNK A 1 -0.036 5.532 0.866 0.00 0.00 +0.101 C ATOM 28 S UNK A 1 -1.791 5.560 0.349 0.00 0.00 -0.149 S ATOM 29 C UNK A 1 -2.058 3.773 0.073 0.00 0.00 +0.164 C ATOM 30 C UNK A 1 -2.288 3.531 -1.404 0.00 0.00 +0.223 C ATOM 31 O UNK A 1 -1.381 3.700 -2.225 0.00 0.00 -0.275 OA ATOM 32 N UNK A 1 -3.510 3.147 -1.855 0.00 0.00 -0.303 N ATOM 33 H UNK A 1 -3.548 3.004 -2.864 0.00 0.00 +0.149 HD ATOM 34 C UNK A 1 -4.809 3.068 -1.157 0.00 0.00 +0.163 C ATOM 35 C UNK A 1 -5.717 2.206 -2.067 0.00 0.00 +0.234 C ATOM 36 O UNK A 1 -5.449 2.033 -3.257 0.00 0.00 -0.274 OA ATOM 37 N LEU A 2 -6.847 1.624 -1.571 0.00 0.00 -0.302 N ATOM 38 H LEU A 2 -7.325 1.033 -2.257 0.00 0.00 +0.150 HD ATOM 39 CA LEU A 2 -7.293 1.502 -0.180 0.00 0.00 +0.159 C ATOM 40 C LEU A 2 -6.725 0.204 0.472 0.00 0.00 +0.234 C ATOM 41 O LEU A 2 -7.114 -0.214 1.560 0.00 0.00 -0.274 OA ATOM 42 N ARG A 3 -5.718 -0.420 -0.221 0.00 0.00 -0.302 N ATOM 43 H ARG A 3 -5.509 -0.116 -1.172 0.00 0.00 +0.150 HD ATOM 44 CA ARG A 3 -5.146 -1.700 0.185 0.00 0.00 +0.159 C ATOM 45 C ARG A 3 -3.814 -1.882 -0.571 0.00 0.00 +0.234 C ATOM 46 O ARG A 3 -3.520 -1.152 -1.525 0.00 0.00 -0.274 OA ATOM 47 N PHE A 4 -2.949 -2.881 -0.240 0.00 0.00 -0.302 N ATOM 48 H PHE A 4 -2.112 -2.879 -0.816 0.00 0.00 +0.150 HD ATOM 49 CA PHE A 4 -2.978 -3.756 0.937 0.00 0.00 +0.163 C ATOM 50 C PHE A 4 -1.724 -3.509 1.801 0.00 0.00 +0.234 C ATOM 51 O PHE A 4 -1.804 -2.964 2.897 0.00 0.00 -0.274 OA ATOM 52 N LYS A 5 -0.537 -3.937 1.254 0.00 0.00 -0.302 N ATOM 53 H LYS A 5 -0.438 -3.957 0.250 0.00 0.00 +0.150 HD ATOM 54 CA LYS A 5 0.711 -3.955 2.024 0.00 0.00 +0.159 C ATOM 55 C LYS A 5 1.688 -2.831 1.629 0.00 0.00 +0.234 C ATOM 56 O LYS A 5 2.620 -2.500 2.362 0.00 0.00 -0.274 OA ATOM 57 N ALA A 6 1.589 -2.425 0.304 0.00 0.00 -0.303 N ATOM 58 H ALA A 6 0.986 -1.599 0.234 0.00 0.00 +0.149 HD ATOM 59 CA ALA A 6 2.859 -2.161 -0.394 0.00 0.00 +0.156 C ATOM 60 CB ALA A 6 2.629 -2.314 -1.886 0.00 0.00 +0.038 C ATOM 61 C ALA A 6 3.392 -0.768 -0.038 0.00 0.00 +0.234 C ATOM 62 O ALA A 6 2.594 0.172 0.120 0.00 0.00 -0.274 OA ATOM 63 N ILE A 7 4.721 -0.506 0.133 0.00 0.00 -0.302 N ATOM 64 H ILE A 7 4.829 0.481 0.348 0.00 0.00 +0.150 HD ENDROOT BRANCH 26 65 ATOM 65 C UNK A 1 1.279 6.502 -1.055 0.00 0.00 +0.232 C ATOM 66 O UNK A 1 2.381 7.042 -1.131 0.00 0.00 -0.274 OA ATOM 67 N UNK A 1 0.231 7.027 -1.744 0.00 0.00 -0.328 N ATOM 68 H UNK A 1 -0.715 6.660 -1.664 0.00 0.00 +0.145 HD ATOM 69 H UNK A 1 0.377 7.879 -2.274 0.00 0.00 +0.145 HD ENDBRANCH 26 65 BRANCH 1 70 ATOM 70 CB ILE A 7 6.094 -2.692 -0.164 0.00 0.00 +0.015 C ATOM 71 CG2 ILE A 7 7.417 -3.233 -0.722 0.00 0.00 +0.010 C BRANCH 70 73 ATOM 72 CD1 ILE A 7 5.718 -4.537 1.587 0.00 0.00 +0.004 C ATOM 73 CG1 ILE A 7 5.977 -3.059 1.337 0.00 0.00 +0.002 C ENDBRANCH 70 73 ENDBRANCH 1 70 BRANCH 39 74 ATOM 74 CB LEU A 2 -8.833 1.464 -0.066 0.00 0.00 +0.034 C BRANCH 74 75 ATOM 75 CG LEU A 2 -9.607 2.767 -0.346 0.00 0.00 -0.015 C ATOM 76 CD2 LEU A 2 -9.542 3.213 -1.806 0.00 0.00 +0.007 C ATOM 77 CD1 LEU A 2 -9.209 3.909 0.591 0.00 0.00 +0.007 C ENDBRANCH 74 75 ENDBRANCH 39 74 BRANCH 44 78 ATOM 78 CB ARG A 3 -6.118 -2.870 -0.058 0.00 0.00 +0.033 C BRANCH 78 79 ATOM 79 CG ARG A 3 -6.617 -3.001 -1.504 0.00 0.00 +0.023 C BRANCH 79 80 ATOM 80 CD ARG A 3 -7.995 -2.379 -1.696 0.00 0.00 +0.115 C BRANCH 80 81 ATOM 81 NE ARG A 3 -8.369 -2.393 -3.100 0.00 0.00 -0.356 N ATOM 82 HE ARG A 3 -9.087 -3.081 -3.295 0.00 0.00 +0.162 HD BRANCH 81 83 ATOM 83 CZ ARG A 3 -8.428 -1.284 -3.869 0.00 0.00 +0.188 C ATOM 84 NH1 ARG A 3 -9.301 -1.088 -4.787 0.00 0.00 -0.269 NA ATOM 85 HH1 ARG A 3 -9.936 -1.885 -4.838 0.00 0.00 +0.190 HD BRANCH 83 86 ATOM 86 NH2 ARG A 3 -7.482 -0.348 -3.649 0.00 0.00 -0.370 N ATOM 87 HH21 ARG A 3 -7.537 0.337 -4.404 0.00 0.00 +0.159 HD ATOM 88 HH22 ARG A 3 -6.547 -0.752 -3.689 0.00 0.00 +0.159 HD ENDBRANCH 83 86 ENDBRANCH 81 83 ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 44 78 BRANCH 34 89 ATOM 89 C UNK A 1 -5.449 4.460 -0.988 0.00 0.00 +0.067 C BRANCH 89 90 ATOM 90 C UNK A 1 -5.511 5.108 0.381 0.00 0.00 -0.045 A ATOM 91 C UNK A 1 -5.421 4.407 1.592 0.00 0.00 +0.007 A ATOM 92 C UNK A 1 -5.618 5.061 2.812 0.00 0.00 +0.045 A ATOM 93 C UNK A 1 -5.930 6.412 2.833 0.00 0.00 +0.117 A ATOM 94 C UNK A 1 -6.016 7.135 1.652 0.00 0.00 +0.045 A ATOM 95 C UNK A 1 -5.807 6.484 0.431 0.00 0.00 +0.007 A BRANCH 93 96 ATOM 96 O UNK A 1 -6.162 6.995 4.048 0.00 0.00 -0.507 OA ATOM 97 H UNK A 1 -6.494 7.899 3.896 0.00 0.00 +0.292 HD ENDBRANCH 93 96 ENDBRANCH 89 90 ENDBRANCH 34 89 BRANCH 11 98 ATOM 98 C UNK A 1 7.246 2.433 1.698 0.00 0.00 +0.034 C BRANCH 98 99 ATOM 99 C UNK A 1 7.989 3.421 2.616 0.00 0.00 -0.015 C ATOM 100 C UNK A 1 9.325 2.883 3.132 0.00 0.00 +0.007 C ATOM 101 C UNK A 1 7.089 3.780 3.809 0.00 0.00 +0.007 C ENDBRANCH 98 99 ENDBRANCH 11 98 BRANCH 49 102 ATOM 102 CB PHE A 4 -3.099 -5.229 0.509 0.00 0.00 +0.067 C BRANCH 102 103 ATOM 103 CG PHE A 4 -3.172 -6.194 1.671 0.00 0.00 -0.045 A ATOM 104 CD2 PHE A 4 -2.106 -7.081 1.896 0.00 0.00 +0.004 A ATOM 105 CE2 PHE A 4 -2.100 -7.922 3.004 0.00 0.00 +0.000 A ATOM 106 CZ PHE A 4 -3.165 -7.902 3.900 0.00 0.00 +0.000 A ATOM 107 CE1 PHE A 4 -4.246 -7.051 3.670 0.00 0.00 +0.000 A ATOM 108 CD1 PHE A 4 -4.252 -6.201 2.561 0.00 0.00 +0.004 A ENDBRANCH 102 103 ENDBRANCH 49 102 BRANCH 6 109 ATOM 109 C UNK A 1 9.517 0.756 -2.700 0.00 0.00 +0.187 C BRANCH 109 110 ATOM 110 O UNK A 1 9.293 0.417 -4.074 0.00 0.00 -0.393 OA ATOM 111 H UNK A 1 9.674 1.140 -4.604 0.00 0.00 +0.209 HD ENDBRANCH 109 110 ENDBRANCH 6 109 BRANCH 54 112 ATOM 112 CB LYS A 5 1.407 -5.328 1.885 0.00 0.00 +0.032 C BRANCH 112 113 ATOM 113 CG LYS A 5 1.711 -5.741 0.434 0.00 0.00 +0.003 C BRANCH 113 114 ATOM 114 CD LYS A 5 2.437 -7.088 0.309 0.00 0.00 +0.015 C BRANCH 114 115 ATOM 115 CE LYS A 5 1.569 -8.314 0.601 0.00 0.00 +0.077 C BRANCH 115 116 ATOM 116 NZ LYS A 5 0.420 -8.400 -0.296 0.00 0.00 -0.330 NA ATOM 117 HZ1 LYS A 5 -0.098 -9.257 -0.106 0.00 0.00 +0.118 HD ATOM 118 HZ2 LYS A 5 0.744 -8.476 -1.262 0.00 0.00 +0.118 HD ENDBRANCH 115 116 ENDBRANCH 114 115 ENDBRANCH 113 114 ENDBRANCH 112 113 ENDBRANCH 54 112 TORSDOF 25