REMARK Name = BDB049937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N ASP A 3 0.328 -1.584 -0.213 0.00 0.00 -0.302 N ATOM 2 H ASP A 3 0.527 -1.874 -1.164 0.00 0.00 +0.150 HD ATOM 3 C THR A 2 -0.801 -0.812 -0.015 0.00 0.00 +0.236 C ATOM 4 O THR A 2 -0.974 -0.140 1.002 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA THR A 2 -1.820 -0.851 -1.175 0.00 0.00 +0.187 C BRANCH 5 6 ATOM 6 N THR A 2 -3.104 -0.385 -0.657 0.00 0.00 -0.301 N ATOM 7 H THR A 2 -3.060 0.561 -0.299 0.00 0.00 +0.150 HD ATOM 8 C GLU A 1 -3.944 -1.255 0.002 0.00 0.00 +0.231 C ATOM 9 O GLU A 1 -3.826 -2.475 -0.075 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA GLU A 1 -5.102 -0.586 0.772 0.00 0.00 +0.138 C BRANCH 10 11 ATOM 11 N GLU A 1 -4.655 0.637 1.453 0.00 0.00 -0.320 NA ATOM 12 H1 GLU A 1 -3.792 0.451 1.971 0.00 0.00 +0.119 HD ATOM 13 H2 GLU A 1 -4.463 1.400 0.809 0.00 0.00 +0.119 HD ENDBRANCH 10 11 BRANCH 10 14 ATOM 14 CB GLU A 1 -6.259 -0.295 -0.193 0.00 0.00 +0.039 C BRANCH 14 15 ATOM 15 CG GLU A 1 -7.555 0.122 0.504 0.00 0.00 +0.122 C BRANCH 15 16 ATOM 16 CD GLU A 1 -7.561 1.529 1.055 0.00 0.00 +0.305 C ATOM 17 OE1 GLU A 1 -7.816 1.806 2.217 0.00 0.00 -0.251 OA BRANCH 16 18 ATOM 18 OE2 GLU A 1 -7.355 2.481 0.116 0.00 0.00 -0.481 OA ATOM 19 HE2 GLU A 1 -7.256 2.131 -0.787 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 20 ATOM 20 CB THR A 2 -1.327 0.044 -2.331 0.00 0.00 +0.141 C ATOM 21 CG2 THR A 2 -2.103 -0.224 -3.615 0.00 0.00 +0.040 C BRANCH 20 22 ATOM 22 OG1 THR A 2 -1.496 1.427 -1.990 0.00 0.00 -0.390 OA ATOM 23 HG1 THR A 2 -1.036 1.951 -2.670 0.00 0.00 +0.210 HD ENDBRANCH 20 22 ENDBRANCH 5 20 ENDBRANCH 3 5 BRANCH 1 24 ATOM 24 CA ASP A 3 1.516 -1.398 0.630 0.00 0.00 +0.169 C BRANCH 24 27 ATOM 25 N VAL A 4 3.442 0.142 0.527 0.00 0.00 -0.301 N ATOM 26 H VAL A 4 3.604 -0.197 1.476 0.00 0.00 +0.150 HD ATOM 27 C ASP A 3 2.476 -0.516 -0.200 0.00 0.00 +0.235 C ATOM 28 O ASP A 3 2.406 -0.459 -1.429 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 CA VAL A 4 4.580 0.779 -0.144 0.00 0.00 +0.184 C BRANCH 29 31 ATOM 30 CG1 VAL A 4 5.894 1.412 1.979 0.00 0.00 +0.009 C ATOM 31 CB VAL A 4 5.163 1.911 0.729 0.00 0.00 +0.014 C ATOM 32 CG2 VAL A 4 6.083 2.833 -0.076 0.00 0.00 +0.009 C ENDBRANCH 29 31 BRANCH 29 33 ATOM 33 C VAL A 4 5.597 -0.320 -0.482 0.00 0.00 +0.326 C ATOM 34 O VAL A 4 5.691 -1.415 0.054 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 OXT VAL A 4 6.443 0.023 -1.475 0.00 0.00 -0.479 OA ATOM 36 HXT VAL A 4 7.008 -0.769 -1.595 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 29 ENDBRANCH 24 27 BRANCH 24 37 ATOM 37 CB ASP A 3 2.167 -2.746 0.927 0.00 0.00 +0.152 C BRANCH 37 38 ATOM 38 CG ASP A 3 3.116 -2.645 2.086 0.00 0.00 +0.307 C ATOM 39 OD1 ASP A 3 3.485 -1.621 2.639 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 OD2 ASP A 3 3.575 -3.849 2.474 0.00 0.00 -0.481 OA ATOM 41 HD2 ASP A 3 4.208 -3.660 3.199 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 1 24 TORSDOF 19