REMARK Name = BDB060874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 3 -0.635 -2.191 -1.346 0.00 0.00 +0.187 C ENDROOT BRANCH 1 2 ATOM 2 C THR A 3 -1.129 -0.870 -0.718 0.00 0.00 +0.239 C ATOM 3 N PRO A 4 -2.129 -0.172 -1.359 0.00 0.00 -0.288 N ATOM 4 CA PRO A 4 -2.675 1.046 -0.761 0.00 0.00 +0.162 C ATOM 5 CB PRO A 4 -3.561 1.657 -1.854 0.00 0.00 +0.033 C ATOM 6 CG PRO A 4 -3.056 1.018 -3.141 0.00 0.00 +0.021 C ATOM 7 CD PRO A 4 -2.645 -0.377 -2.700 0.00 0.00 +0.109 C ATOM 8 O THR A 3 -0.643 -0.461 0.344 0.00 0.00 -0.273 OA BRANCH 4 9 ATOM 9 C PRO A 4 -3.541 0.743 0.478 0.00 0.00 +0.234 C ATOM 10 N GLU A 5 -3.742 1.837 1.300 0.00 0.00 -0.301 N ATOM 11 H GLU A 5 -3.574 2.752 0.897 0.00 0.00 +0.150 HD ATOM 12 O PRO A 4 -4.070 -0.346 0.687 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 CA GLU A 5 -4.726 1.773 2.383 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 C GLU A 5 -6.084 2.135 1.779 0.00 0.00 +0.325 C ATOM 15 O GLU A 5 -6.273 2.803 0.772 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT GLU A 5 -7.127 1.672 2.496 0.00 0.00 -0.479 OA ATOM 17 HXT GLU A 5 -7.911 1.948 1.974 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB GLU A 5 -4.341 2.754 3.493 0.00 0.00 +0.045 C BRANCH 18 19 ATOM 19 CG GLU A 5 -5.072 2.476 4.809 0.00 0.00 +0.123 C BRANCH 19 20 ATOM 20 CD GLU A 5 -4.610 3.409 5.903 0.00 0.00 +0.305 C ATOM 21 OE1 GLU A 5 -3.904 4.391 5.736 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 OE2 GLU A 5 -5.091 3.060 7.118 0.00 0.00 -0.481 OA ATOM 23 HE2 GLU A 5 -5.646 2.257 7.111 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 10 13 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 N THR A 3 0.641 -2.529 -0.691 0.00 0.00 -0.300 N ATOM 25 H THR A 3 0.592 -2.433 0.320 0.00 0.00 +0.150 HD ATOM 26 C UNK A 2 1.843 -2.209 -1.296 0.00 0.00 +0.234 C ATOM 27 O UNK A 2 1.919 -1.877 -2.476 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C UNK A 2 3.073 -2.334 -0.370 0.00 0.00 +0.163 C BRANCH 28 29 ATOM 29 N UNK A 2 4.293 -2.474 -1.168 0.00 0.00 -0.303 N ATOM 30 H UNK A 2 4.549 -1.669 -1.735 0.00 0.00 +0.149 HD ATOM 31 C GLY A 1 4.835 -3.628 -1.657 0.00 0.00 +0.227 C ATOM 32 O GLY A 1 5.702 -3.566 -2.530 0.00 0.00 -0.274 OA BRANCH 31 33 ATOM 33 CA GLY A 1 4.356 -4.963 -1.071 0.00 0.00 +0.174 C BRANCH 33 34 ATOM 34 N GLY A 1 5.135 -6.084 -1.622 0.00 0.00 -0.322 NA ATOM 35 H1 GLY A 1 6.119 -5.911 -1.405 0.00 0.00 +0.119 HD ATOM 36 H2 GLY A 1 5.112 -5.992 -2.642 0.00 0.00 +0.119 HD ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C UNK A 2 3.157 -1.164 0.629 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 C UNK A 2 3.533 0.174 0.032 0.00 0.00 -0.045 A ATOM 39 C UNK A 2 2.553 1.036 -0.471 0.00 0.00 +0.007 A ATOM 40 C UNK A 2 2.914 2.266 -1.027 0.00 0.00 +0.046 A ATOM 41 C UNK A 2 4.253 2.652 -1.085 0.00 0.00 +0.132 A ATOM 42 C UNK A 2 5.235 1.801 -0.589 0.00 0.00 +0.046 A ATOM 43 C UNK A 2 4.877 0.570 -0.032 0.00 0.00 +0.007 A BRANCH 41 44 ATOM 44 O UNK A 2 4.494 3.874 -1.643 0.00 0.00 -0.404 OA BRANCH 44 45 ATOM 45 P UNK A 2 5.913 4.589 -1.798 0.00 0.00 +0.528 P ATOM 46 O UNK A 2 5.881 5.943 -2.429 0.00 0.00 -0.216 OA BRANCH 45 47 ATOM 47 O UNK A 2 6.585 4.653 -0.349 0.00 0.00 -0.293 OA ATOM 48 H UNK A 2 6.531 5.557 0.012 0.00 0.00 +0.223 HD ENDBRANCH 45 47 BRANCH 45 49 ATOM 49 O UNK A 2 6.872 3.604 -2.611 0.00 0.00 -0.293 OA ATOM 50 H UNK A 2 6.966 3.903 -3.533 0.00 0.00 +0.223 HD ENDBRANCH 45 49 ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 37 38 ENDBRANCH 28 37 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 52 ATOM 51 CG2 THR A 3 -1.588 -4.353 -2.257 0.00 0.00 +0.040 C ATOM 52 CB THR A 3 -1.678 -3.310 -1.147 0.00 0.00 +0.141 C BRANCH 52 53 ATOM 53 OG1 THR A 3 -1.481 -3.979 0.106 0.00 0.00 -0.390 OA ATOM 54 HG1 THR A 3 -0.615 -4.423 0.053 0.00 0.00 +0.210 HD ENDBRANCH 52 53 ENDBRANCH 1 52 TORSDOF 22