REMARK Name = BDB053163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 1 -2.094 -1.945 0.351 0.00 0.00 +0.185 C ENDROOT BRANCH 1 2 ATOM 2 C THR A 1 -0.857 -1.607 1.208 0.00 0.00 +0.236 C ATOM 3 N ALA A 2 0.364 -1.775 0.599 0.00 0.00 -0.303 N ATOM 4 H ALA A 2 0.351 -1.897 -0.420 0.00 0.00 +0.149 HD ATOM 5 O THR A 1 -0.963 -1.140 2.342 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA ALA A 2 1.578 -1.247 1.193 0.00 0.00 +0.156 C ATOM 7 CB ALA A 2 2.151 -2.196 2.238 0.00 0.00 +0.038 C BRANCH 6 8 ATOM 8 C ALA A 2 2.616 -0.999 0.088 0.00 0.00 +0.234 C ATOM 9 N VAL A 3 3.603 -0.094 0.396 0.00 0.00 -0.301 N ATOM 10 H VAL A 3 3.475 0.449 1.242 0.00 0.00 +0.150 HD ATOM 11 O ALA A 2 2.650 -1.621 -0.973 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 CA VAL A 3 4.514 0.467 -0.625 0.00 0.00 +0.184 C BRANCH 12 13 ATOM 13 CB VAL A 3 5.034 1.844 -0.133 0.00 0.00 +0.014 C ATOM 14 CG2 VAL A 3 6.049 1.743 1.009 0.00 0.00 +0.009 C ATOM 15 CG1 VAL A 3 5.588 2.701 -1.271 0.00 0.00 +0.009 C ENDBRANCH 12 13 BRANCH 12 16 ATOM 16 C VAL A 3 5.641 -0.508 -1.060 0.00 0.00 +0.326 C ATOM 17 O VAL A 3 6.759 -0.158 -1.420 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 OXT VAL A 3 5.266 -1.812 -1.131 0.00 0.00 -0.479 OA ATOM 19 HXT VAL A 3 4.282 -1.912 -1.117 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 9 12 ENDBRANCH 6 8 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 CB THR A 1 -1.884 -3.026 -0.733 0.00 0.00 +0.141 C ATOM 21 CG2 THR A 1 -3.191 -3.431 -1.407 0.00 0.00 +0.040 C BRANCH 20 22 ATOM 22 OG1 THR A 1 -0.955 -2.621 -1.734 0.00 0.00 -0.390 OA ATOM 23 HG1 THR A 1 -0.941 -3.308 -2.426 0.00 0.00 +0.210 HD ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 24 ATOM 24 N THR A 1 -2.831 -0.736 -0.044 0.00 0.00 -0.327 N ATOM 25 H THR A 1 -3.834 -0.755 0.147 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 C UNK A 0 -2.486 0.342 -0.832 0.00 0.00 +0.067 C ATOM 27 S UNK A 0 -0.994 0.661 -1.511 0.00 0.00 -0.039 S BRANCH 26 28 ATOM 28 C UNK A 0 -3.641 1.375 -0.970 0.00 0.00 +0.106 C BRANCH 28 30 ATOM 29 C UNK A 0 -5.322 0.185 -2.245 0.00 0.00 +0.101 C ATOM 30 N UNK A 0 -4.942 0.652 -0.911 0.00 0.00 -0.311 NA ATOM 31 H UNK A 0 -5.665 1.299 -0.589 0.00 0.00 +0.122 HD ENDBRANCH 28 30 BRANCH 28 32 ATOM 32 C UNK A 0 -3.575 2.445 0.141 0.00 0.00 +0.036 C BRANCH 32 33 ATOM 33 C UNK A 0 -3.585 1.921 1.582 0.00 0.00 +0.122 C BRANCH 33 34 ATOM 34 C UNK A 0 -3.817 3.047 2.552 0.00 0.00 +0.305 C ATOM 35 O UNK A 0 -3.837 4.242 2.307 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O UNK A 0 -4.028 2.608 3.804 0.00 0.00 -0.481 OA ATOM 37 H UNK A 0 -4.164 3.439 4.313 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 17