REMARK Name = BDB053139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N ASP A 3 -0.067 1.577 0.352 0.00 0.00 -0.302 N ATOM 2 H ASP A 3 -0.267 2.403 -0.202 0.00 0.00 +0.150 HD ATOM 3 C THR A 2 1.126 0.924 0.091 0.00 0.00 +0.236 C ATOM 4 O THR A 2 1.325 -0.241 0.442 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA THR A 2 2.168 1.773 -0.677 0.00 0.00 +0.187 C BRANCH 5 6 ATOM 6 N THR A 2 3.482 1.158 -0.516 0.00 0.00 -0.301 N ATOM 7 H THR A 2 3.601 0.289 -1.026 0.00 0.00 +0.150 HD ATOM 8 C GLN A 1 4.214 1.364 0.631 0.00 0.00 +0.231 C ATOM 9 O GLN A 1 3.921 2.227 1.457 0.00 0.00 -0.274 OA BRANCH 8 10 ATOM 10 CA GLN A 1 5.393 0.380 0.823 0.00 0.00 +0.138 C BRANCH 10 11 ATOM 11 N GLN A 1 6.336 0.911 1.821 0.00 0.00 -0.320 NA ATOM 12 H1 GLN A 1 6.812 0.151 2.301 0.00 0.00 +0.119 HD ATOM 13 H2 GLN A 1 5.797 1.416 2.531 0.00 0.00 +0.119 HD ENDBRANCH 10 11 BRANCH 10 14 ATOM 14 CB GLN A 1 4.873 -1.020 1.180 0.00 0.00 +0.037 C BRANCH 14 15 ATOM 15 CG GLN A 1 4.108 -1.086 2.504 0.00 0.00 +0.097 C BRANCH 15 16 ATOM 16 CD GLN A 1 3.360 -2.392 2.627 0.00 0.00 +0.211 C ATOM 17 OE1 GLN A 1 3.715 -3.305 3.362 0.00 0.00 -0.276 OA ATOM 18 NE2 GLN A 1 2.262 -2.503 1.829 0.00 0.00 -0.329 N ATOM 19 HE21 GLN A 1 1.857 -1.692 1.355 0.00 0.00 +0.145 HD ATOM 20 HE22 GLN A 1 1.679 -3.320 1.941 0.00 0.00 +0.145 HD ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 21 ATOM 21 CB THR A 2 1.780 1.858 -2.168 0.00 0.00 +0.141 C ATOM 22 CG2 THR A 2 2.561 2.951 -2.889 0.00 0.00 +0.040 C BRANCH 21 23 ATOM 23 OG1 THR A 2 2.055 0.607 -2.816 0.00 0.00 -0.390 OA ATOM 24 HG1 THR A 2 1.747 0.682 -3.736 0.00 0.00 +0.210 HD ENDBRANCH 21 23 ENDBRANCH 5 21 ENDBRANCH 3 5 BRANCH 1 25 ATOM 25 CA ASP A 3 -1.240 0.826 0.807 0.00 0.00 +0.169 C BRANCH 25 28 ATOM 26 N VAL A 4 -2.985 -0.523 -0.306 0.00 0.00 -0.301 N ATOM 27 H VAL A 4 -3.194 -0.837 0.637 0.00 0.00 +0.150 HD ATOM 28 C ASP A 3 -2.032 0.463 -0.466 0.00 0.00 +0.235 C ATOM 29 O ASP A 3 -1.895 1.078 -1.524 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 CA VAL A 4 -4.048 -0.654 -1.304 0.00 0.00 +0.184 C BRANCH 30 32 ATOM 31 CG1 VAL A 4 -3.802 -3.149 -1.652 0.00 0.00 +0.009 C ATOM 32 CB VAL A 4 -4.758 -2.023 -1.249 0.00 0.00 +0.014 C ATOM 33 CG2 VAL A 4 -5.390 -2.336 0.111 0.00 0.00 +0.009 C ENDBRANCH 30 32 BRANCH 30 34 ATOM 34 C VAL A 4 -5.040 0.510 -1.094 0.00 0.00 +0.326 C ATOM 35 O VAL A 4 -5.077 1.202 -0.078 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 OXT VAL A 4 -5.881 0.717 -2.131 0.00 0.00 -0.479 OA ATOM 37 HXT VAL A 4 -5.724 0.146 -2.908 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 26 30 ENDBRANCH 25 28 BRANCH 25 38 ATOM 38 CB ASP A 3 -2.121 1.693 1.706 0.00 0.00 +0.152 C BRANCH 38 39 ATOM 39 CG ASP A 3 -2.926 0.806 2.610 0.00 0.00 +0.307 C ATOM 40 OD1 ASP A 3 -2.442 0.175 3.537 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 OD2 ASP A 3 -4.222 0.676 2.269 0.00 0.00 -0.481 OA ATOM 42 HD2 ASP A 3 -4.546 1.194 1.488 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 1 25 TORSDOF 18