REMARK Name = BDB060250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 7 -0.679 -2.786 -0.622 0.00 0.00 +0.187 C ATOM 2 C THR A 7 0.787 -3.259 -0.752 0.00 0.00 +0.236 C ATOM 3 O THR A 7 1.158 -3.876 -1.756 0.00 0.00 -0.274 OA ATOM 4 N GLY A 1 1.695 -3.011 0.239 0.00 0.00 -0.305 N ATOM 5 H GLY A 1 2.638 -3.322 -0.013 0.00 0.00 +0.149 HD ATOM 6 CA GLY A 1 1.608 -1.930 1.207 0.00 0.00 +0.200 C ATOM 7 C GLY A 1 1.841 -0.630 0.435 0.00 0.00 +0.231 C ATOM 8 O GLY A 1 0.915 -0.076 -0.169 0.00 0.00 -0.274 OA ATOM 9 N GLU A 2 3.093 -0.119 0.271 0.00 0.00 -0.303 N ATOM 10 H GLU A 2 3.115 0.666 -0.367 0.00 0.00 +0.149 HD ATOM 11 CA GLU A 2 4.325 -0.462 0.972 0.00 0.00 +0.159 C ATOM 12 C GLU A 2 4.656 0.355 2.249 0.00 0.00 +0.234 C ATOM 13 O GLU A 2 5.468 -0.103 3.062 0.00 0.00 -0.274 OA ATOM 14 N GLY A 3 4.226 1.625 2.473 0.00 0.00 -0.305 N ATOM 15 H GLY A 3 4.490 1.933 3.402 0.00 0.00 +0.149 HD ATOM 16 CA GLY A 3 3.175 2.397 1.828 0.00 0.00 +0.200 C ATOM 17 C GLY A 3 1.786 1.938 2.287 0.00 0.00 +0.231 C ATOM 18 O GLY A 3 1.622 1.057 3.134 0.00 0.00 -0.274 OA ATOM 19 N ASP A 4 0.680 2.496 1.726 0.00 0.00 -0.302 N ATOM 20 H ASP A 4 -0.173 2.175 2.168 0.00 0.00 +0.150 HD ATOM 21 CA ASP A 4 0.572 3.602 0.763 0.00 0.00 +0.170 C ATOM 22 C ASP A 4 -0.842 4.196 0.911 0.00 0.00 +0.237 C ATOM 23 O ASP A 4 -0.951 5.397 1.183 0.00 0.00 -0.274 OA ATOM 24 N UNK A 5 -1.956 3.389 0.819 0.00 0.00 -0.286 N ATOM 25 C UNK A 5 -2.136 2.000 0.331 0.00 0.00 +0.165 C ATOM 26 C UNK A 5 -3.300 1.546 1.211 0.00 0.00 +0.070 C ATOM 27 C UNK A 5 -4.214 2.765 1.221 0.00 0.00 +0.186 C ATOM 28 F UNK A 5 -4.964 2.745 0.088 0.00 0.00 -0.244 F ATOM 29 C UNK A 5 -2.482 1.977 -1.184 0.00 0.00 +0.234 C ATOM 30 O UNK A 5 -2.401 2.996 -1.876 0.00 0.00 -0.274 OA ATOM 31 N GLU A 6 -2.876 0.832 -1.808 0.00 0.00 -0.302 N ATOM 32 H GLU A 6 -2.941 0.987 -2.813 0.00 0.00 +0.150 HD ATOM 33 CA GLU A 6 -2.722 -0.578 -1.431 0.00 0.00 +0.159 C ATOM 34 C GLU A 6 -1.636 -1.213 -2.338 0.00 0.00 +0.234 C ATOM 35 O GLU A 6 -1.340 -0.728 -3.432 0.00 0.00 -0.274 OA ATOM 36 C UNK A 5 -3.255 3.949 1.190 0.00 0.00 +0.145 C ATOM 37 N THR A 7 -1.113 -2.430 -1.984 0.00 0.00 -0.300 N ATOM 38 H THR A 7 -0.472 -2.772 -2.701 0.00 0.00 +0.150 HD ENDROOT BRANCH 1 40 ATOM 39 CG2 THR A 7 -1.315 -5.290 -0.425 0.00 0.00 +0.040 C ATOM 40 CB THR A 7 -1.575 -3.858 0.031 0.00 0.00 +0.141 C BRANCH 40 41 ATOM 41 OG1 THR A 7 -1.460 -3.771 1.456 0.00 0.00 -0.390 OA ATOM 42 HG1 THR A 7 -1.916 -4.542 1.839 0.00 0.00 +0.210 HD ENDBRANCH 40 41 ENDBRANCH 1 40 BRANCH 11 43 ATOM 43 CB GLU A 2 5.525 -0.359 0.010 0.00 0.00 +0.043 C BRANCH 43 44 ATOM 44 CG GLU A 2 5.447 -1.318 -1.179 0.00 0.00 +0.123 C BRANCH 44 45 ATOM 45 CD GLU A 2 5.435 -2.756 -0.728 0.00 0.00 +0.305 C ATOM 46 OE1 GLU A 2 4.423 -3.335 -0.355 0.00 0.00 -0.251 OA BRANCH 45 47 ATOM 47 OE2 GLU A 2 6.652 -3.334 -0.704 0.00 0.00 -0.481 OA ATOM 48 HE2 GLU A 2 7.386 -2.768 -1.011 0.00 0.00 +0.295 HD ENDBRANCH 45 47 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 11 43 BRANCH 21 49 ATOM 49 CB ASP A 4 0.885 3.225 -0.676 0.00 0.00 +0.152 C BRANCH 49 50 ATOM 50 CG ASP A 4 1.670 4.333 -1.313 0.00 0.00 +0.307 C ATOM 51 OD1 ASP A 4 1.233 5.270 -1.953 0.00 0.00 -0.251 OA BRANCH 50 52 ATOM 52 OD2 ASP A 4 2.994 4.226 -1.079 0.00 0.00 -0.481 OA ATOM 53 HD2 ASP A 4 3.361 5.004 -1.557 0.00 0.00 +0.295 HD ENDBRANCH 50 52 ENDBRANCH 49 50 ENDBRANCH 21 49 BRANCH 33 54 ATOM 54 CB GLU A 6 -4.029 -1.342 -1.720 0.00 0.00 +0.043 C BRANCH 54 55 ATOM 55 CG GLU A 6 -5.188 -0.954 -0.807 0.00 0.00 +0.123 C BRANCH 55 56 ATOM 56 CD GLU A 6 -6.436 -1.724 -1.145 0.00 0.00 +0.305 C ATOM 57 OE1 GLU A 6 -6.541 -2.656 -1.921 0.00 0.00 -0.251 OA BRANCH 56 58 ATOM 58 OE2 GLU A 6 -7.500 -1.288 -0.443 0.00 0.00 -0.481 OA ATOM 59 HE2 GLU A 6 -8.241 -1.848 -0.757 0.00 0.00 +0.295 HD ENDBRANCH 56 58 ENDBRANCH 55 56 ENDBRANCH 54 55 ENDBRANCH 33 54 TORSDOF 13