REMARK Name = BDB045437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C VAL A 2 3.120 -1.149 -2.231 0.00 0.00 +0.237 C ATOM 2 N UNK A 3 1.864 -1.719 -2.254 0.00 0.00 -0.286 N ATOM 3 C UNK A 3 0.581 -1.112 -1.877 0.00 0.00 +0.164 C ATOM 4 C UNK A 3 0.406 -1.098 -0.345 0.00 0.00 +0.234 C ATOM 5 N PHE A 4 -0.503 -0.324 0.297 0.00 0.00 -0.302 N ATOM 6 H PHE A 4 -0.445 -0.507 1.293 0.00 0.00 +0.150 HD ATOM 7 CA PHE A 4 -1.270 0.886 -0.040 0.00 0.00 +0.163 C ATOM 8 C PHE A 4 -2.727 0.551 -0.413 0.00 0.00 +0.234 C ATOM 9 N UNK A 5 -3.745 1.343 0.075 0.00 0.00 -0.301 N ATOM 10 H UNK A 5 -4.569 1.103 -0.467 0.00 0.00 +0.150 HD ATOM 11 C UNK A 5 -4.117 1.447 1.503 0.00 0.00 +0.186 C ATOM 12 C UNK A 5 -4.816 0.214 2.109 0.00 0.00 +0.069 C ATOM 13 C UNK A 5 -4.151 -1.135 2.013 0.00 0.00 -0.045 A ATOM 14 C UNK A 5 -3.041 -1.468 2.799 0.00 0.00 +0.007 A ATOM 15 C UNK A 5 -2.528 -2.774 2.791 0.00 0.00 +0.046 A ATOM 16 C UNK A 5 -3.125 -3.754 1.997 0.00 0.00 +0.121 A ATOM 17 O UNK A 5 -2.745 -5.066 1.953 0.00 0.00 -0.486 OA ATOM 18 C UNK A 5 -1.333 -5.323 1.835 0.00 0.00 +0.287 C ATOM 19 C UNK A 5 -0.787 -5.087 0.471 0.00 0.00 +0.120 A ATOM 20 N UNK A 5 0.087 -5.966 -0.113 0.00 0.00 -0.131 NA ATOM 21 N UNK A 5 0.460 -5.462 -1.283 0.00 0.00 -0.065 NA ATOM 22 N UNK A 5 -0.106 -4.245 -1.402 0.00 0.00 -0.247 N ATOM 23 C UNK A 5 0.200 -3.419 -2.553 0.00 0.00 +0.128 C ATOM 24 C UNK A 5 -0.981 -4.026 -0.386 0.00 0.00 +0.137 A ATOM 25 C UNK A 5 -4.231 -3.429 1.215 0.00 0.00 +0.046 A ATOM 26 C UNK A 5 -4.730 -2.127 1.208 0.00 0.00 +0.007 A ATOM 27 O PHE A 4 -3.006 -0.294 -1.264 0.00 0.00 -0.274 OA ATOM 28 O UNK A 3 1.067 -1.857 0.375 0.00 0.00 -0.274 OA ATOM 29 C UNK A 3 -0.440 -2.016 -2.570 0.00 0.00 +0.060 C ATOM 30 C UNK A 5 1.696 -3.107 -2.675 0.00 0.00 +0.135 C ATOM 31 O VAL A 2 4.116 -1.801 -2.559 0.00 0.00 -0.274 OA ENDROOT BRANCH 11 32 ATOM 32 C UNK A 5 -3.159 2.150 2.472 0.00 0.00 +0.326 C ATOM 33 O UNK A 5 -3.030 1.870 3.654 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O UNK A 5 -2.562 3.237 1.931 0.00 0.00 -0.479 OA ATOM 35 H UNK A 5 -2.802 3.399 0.992 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 11 32 BRANCH 1 36 ATOM 36 CA VAL A 2 3.282 0.296 -1.698 0.00 0.00 +0.162 C BRANCH 36 38 ATOM 37 C ALA A 1 3.183 0.570 0.779 0.00 0.00 +0.230 C ATOM 38 N VAL A 2 3.844 0.153 -0.358 0.00 0.00 -0.302 N ATOM 39 H VAL A 2 4.628 -0.486 -0.267 0.00 0.00 +0.150 HD ATOM 40 O ALA A 1 2.129 1.207 0.736 0.00 0.00 -0.274 OA BRANCH 37 41 ATOM 41 CA ALA A 1 3.888 0.181 2.098 0.00 0.00 +0.137 C ATOM 42 CB ALA A 1 2.972 -0.679 2.968 0.00 0.00 +0.034 C BRANCH 41 44 ATOM 43 C ACE A 0 3.437 2.296 3.300 0.00 0.00 +0.101 C ATOM 44 N ALA A 1 4.447 1.368 2.791 0.00 0.00 -0.309 NA ATOM 45 H ALA A 1 4.990 1.036 3.587 0.00 0.00 +0.122 HD ENDBRANCH 41 44 ENDBRANCH 37 41 ENDBRANCH 36 38 BRANCH 36 46 ATOM 46 CB VAL A 2 4.226 1.126 -2.600 0.00 0.00 +0.012 C ATOM 47 CG2 VAL A 2 3.655 1.262 -4.017 0.00 0.00 +0.009 C ATOM 48 CG1 VAL A 2 4.461 2.527 -2.021 0.00 0.00 +0.009 C ENDBRANCH 36 46 ENDBRANCH 1 36 BRANCH 7 49 ATOM 49 CB PHE A 4 -0.672 1.786 -1.140 0.00 0.00 +0.067 C BRANCH 49 50 ATOM 50 CG PHE A 4 -1.151 3.217 -1.102 0.00 0.00 -0.045 A ATOM 51 CD2 PHE A 4 -2.242 3.628 -1.880 0.00 0.00 +0.004 A ATOM 52 CE2 PHE A 4 -2.694 4.947 -1.823 0.00 0.00 +0.000 A ATOM 53 CZ PHE A 4 -2.057 5.866 -0.992 0.00 0.00 +0.000 A ATOM 54 CE1 PHE A 4 -0.965 5.470 -0.221 0.00 0.00 +0.000 A ATOM 55 CD1 PHE A 4 -0.510 4.152 -0.277 0.00 0.00 +0.004 A ENDBRANCH 49 50 ENDBRANCH 7 49 TORSDOF 9