REMARK Name = BDB057877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 5 -0.347 0.040 1.097 0.00 0.00 +0.187 C ENDROOT BRANCH 1 2 ATOM 2 N THR A 5 0.858 -0.287 0.313 0.00 0.00 -0.300 N ATOM 3 H THR A 5 0.640 -0.675 -0.599 0.00 0.00 +0.150 HD ATOM 4 C GLU A 4 2.014 0.458 0.377 0.00 0.00 +0.234 C ATOM 5 O GLU A 4 2.197 1.332 1.225 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 CA GLU A 4 3.058 0.122 -0.718 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 N GLU A 4 4.123 1.133 -0.646 0.00 0.00 -0.302 N ATOM 8 H GLU A 4 3.797 2.071 -0.847 0.00 0.00 +0.150 HD ATOM 9 C GLU A 3 5.209 1.042 0.193 0.00 0.00 +0.234 C ATOM 10 O GLU A 3 5.486 -0.002 0.792 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 CA GLU A 3 6.048 2.340 0.378 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 N GLU A 3 7.257 2.018 1.135 0.00 0.00 -0.302 N ATOM 13 H GLU A 3 7.230 2.164 2.144 0.00 0.00 +0.150 HD ATOM 14 C ASP A 2 8.190 1.108 0.664 0.00 0.00 +0.234 C ATOM 15 O ASP A 2 8.139 0.648 -0.475 0.00 0.00 -0.274 OA BRANCH 14 16 ATOM 16 CA ASP A 2 9.226 0.644 1.720 0.00 0.00 +0.169 C BRANCH 16 17 ATOM 17 N ASP A 2 9.827 -0.613 1.240 0.00 0.00 -0.302 N ATOM 18 H ASP A 2 9.156 -1.355 1.070 0.00 0.00 +0.150 HD ATOM 19 C LEU A 1 10.942 -0.659 0.420 0.00 0.00 +0.230 C ATOM 20 O LEU A 1 11.691 0.298 0.245 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 CA LEU A 1 11.238 -2.049 -0.197 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LEU A 1 11.442 -3.024 0.894 0.00 0.00 -0.320 NA ATOM 23 H1 LEU A 1 12.184 -2.678 1.502 0.00 0.00 +0.119 HD ATOM 24 H2 LEU A 1 10.602 -3.077 1.466 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 CB LEU A 1 10.118 -2.474 -1.163 0.00 0.00 +0.031 C BRANCH 25 26 ATOM 26 CG LEU A 1 10.432 -3.627 -2.141 0.00 0.00 -0.015 C ATOM 27 CD2 LEU A 1 11.580 -3.287 -3.092 0.00 0.00 +0.007 C ATOM 28 CD1 LEU A 1 10.688 -4.964 -1.449 0.00 0.00 +0.007 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 19 21 ENDBRANCH 16 17 BRANCH 16 29 ATOM 29 CB ASP A 2 10.232 1.738 2.087 0.00 0.00 +0.152 C BRANCH 29 30 ATOM 30 CG ASP A 2 9.673 2.717 3.084 0.00 0.00 +0.307 C ATOM 31 OD1 ASP A 2 8.480 2.925 3.269 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 OD2 ASP A 2 10.626 3.411 3.742 0.00 0.00 -0.481 OA ATOM 33 HD2 ASP A 2 11.536 3.208 3.444 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 16 29 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 11 34 ATOM 34 CB GLU A 3 6.338 3.133 -0.904 0.00 0.00 +0.043 C BRANCH 34 35 ATOM 35 CG GLU A 3 6.919 4.517 -0.613 0.00 0.00 +0.123 C BRANCH 35 36 ATOM 36 CD GLU A 3 8.420 4.513 -0.488 0.00 0.00 +0.305 C ATOM 37 OE1 GLU A 3 9.176 4.504 -1.446 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 OE2 GLU A 3 8.870 4.528 0.784 0.00 0.00 -0.481 OA ATOM 39 HE2 GLU A 3 8.172 4.473 1.469 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 11 34 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 40 ATOM 40 CB GLU A 4 3.491 -1.351 -0.631 0.00 0.00 +0.043 C BRANCH 40 41 ATOM 41 CG GLU A 4 4.635 -1.725 -1.572 0.00 0.00 +0.123 C BRANCH 41 42 ATOM 42 CD GLU A 4 5.501 -2.794 -0.954 0.00 0.00 +0.305 C ATOM 43 OE1 GLU A 4 5.412 -3.981 -1.231 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 OE2 GLU A 4 6.370 -2.321 -0.032 0.00 0.00 -0.481 OA ATOM 45 HE2 GLU A 4 6.197 -1.373 0.198 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 6 40 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 48 ATOM 46 N GLY A 6 -1.890 2.000 1.225 0.00 0.00 -0.305 N ATOM 47 H GLY A 6 -1.742 1.946 2.227 0.00 0.00 +0.149 HD ATOM 48 C THR A 5 -1.000 1.292 0.445 0.00 0.00 +0.236 C ATOM 49 O THR A 5 -0.787 1.585 -0.735 0.00 0.00 -0.274 OA BRANCH 46 50 ATOM 50 CA GLY A 6 -2.459 3.253 0.749 0.00 0.00 +0.200 C BRANCH 50 53 ATOM 51 N GLU A 7 -4.126 1.833 -0.381 0.00 0.00 -0.303 N ATOM 52 H GLU A 7 -3.648 1.079 0.111 0.00 0.00 +0.149 HD ATOM 53 C GLY A 6 -3.748 3.118 -0.074 0.00 0.00 +0.231 C ATOM 54 O GLY A 6 -4.381 4.104 -0.447 0.00 0.00 -0.274 OA BRANCH 51 55 ATOM 55 CA GLU A 7 -5.370 1.543 -1.068 0.00 0.00 +0.159 C BRANCH 55 58 ATOM 56 N PHE A 8 -7.770 1.732 -0.597 0.00 0.00 -0.302 N ATOM 57 H PHE A 8 -7.842 1.773 -1.609 0.00 0.00 +0.150 HD ATOM 58 C GLU A 7 -6.536 1.423 -0.064 0.00 0.00 +0.234 C ATOM 59 O GLU A 7 -6.392 1.001 1.083 0.00 0.00 -0.274 OA BRANCH 56 60 ATOM 60 CA PHE A 8 -9.001 1.372 0.102 0.00 0.00 +0.163 C BRANCH 60 63 ATOM 61 N LEU A 9 -10.268 -0.697 0.541 0.00 0.00 -0.301 N ATOM 62 H LEU A 9 -10.793 -0.123 1.192 0.00 0.00 +0.150 HD ATOM 63 C PHE A 8 -9.393 -0.064 -0.318 0.00 0.00 +0.234 C ATOM 64 O PHE A 8 -8.954 -0.606 -1.332 0.00 0.00 -0.274 OA BRANCH 61 65 ATOM 65 CA LEU A 9 -10.862 -1.992 0.199 0.00 0.00 +0.182 C BRANCH 65 66 ATOM 66 C LEU A 9 -12.243 -1.724 -0.397 0.00 0.00 +0.325 C ATOM 67 O LEU A 9 -12.920 -0.721 -0.219 0.00 0.00 -0.249 OA BRANCH 66 68 ATOM 68 OXT LEU A 9 -12.703 -2.739 -1.152 0.00 0.00 -0.479 OA ATOM 69 HXT LEU A 9 -13.576 -2.434 -1.477 0.00 0.00 +0.295 HD ENDBRANCH 66 68 ENDBRANCH 65 66 BRANCH 65 70 ATOM 70 CB LEU A 9 -11.001 -2.886 1.437 0.00 0.00 +0.036 C BRANCH 70 72 ATOM 71 CD1 LEU A 9 -9.937 -4.050 3.397 0.00 0.00 +0.007 C ATOM 72 CG LEU A 9 -9.668 -3.226 2.135 0.00 0.00 -0.015 C ATOM 73 CD2 LEU A 9 -8.704 -3.986 1.223 0.00 0.00 +0.007 C ENDBRANCH 70 72 ENDBRANCH 65 70 ENDBRANCH 61 65 ENDBRANCH 60 63 BRANCH 60 74 ATOM 74 CB PHE A 8 -10.140 2.377 -0.144 0.00 0.00 +0.067 C BRANCH 74 75 ATOM 75 CG PHE A 8 -10.414 2.685 -1.598 0.00 0.00 -0.045 A ATOM 76 CD2 PHE A 8 -9.746 3.743 -2.233 0.00 0.00 +0.004 A ATOM 77 CE2 PHE A 8 -9.974 4.015 -3.582 0.00 0.00 +0.000 A ATOM 78 CZ PHE A 8 -10.873 3.237 -4.308 0.00 0.00 +0.000 A ATOM 79 CE1 PHE A 8 -11.548 2.189 -3.685 0.00 0.00 +0.000 A ATOM 80 CD1 PHE A 8 -11.320 1.914 -2.336 0.00 0.00 +0.004 A ENDBRANCH 74 75 ENDBRANCH 60 74 ENDBRANCH 56 60 ENDBRANCH 55 58 BRANCH 55 81 ATOM 81 CB GLU A 7 -5.258 0.283 -1.946 0.00 0.00 +0.043 C BRANCH 81 82 ATOM 82 CG GLU A 7 -5.446 -1.068 -1.244 0.00 0.00 +0.123 C BRANCH 82 83 ATOM 83 CD GLU A 7 -4.409 -1.405 -0.201 0.00 0.00 +0.305 C ATOM 84 OE1 GLU A 7 -3.379 -0.783 0.009 0.00 0.00 -0.251 OA BRANCH 83 85 ATOM 85 OE2 GLU A 7 -4.719 -2.526 0.491 0.00 0.00 -0.481 OA ATOM 86 HE2 GLU A 7 -5.585 -2.906 0.247 0.00 0.00 +0.295 HD ENDBRANCH 83 85 ENDBRANCH 82 83 ENDBRANCH 81 82 ENDBRANCH 55 81 ENDBRANCH 51 55 ENDBRANCH 50 53 ENDBRANCH 46 50 ENDBRANCH 1 48 BRANCH 1 87 ATOM 87 CB THR A 5 -0.164 0.108 2.631 0.00 0.00 +0.141 C ATOM 88 CG2 THR A 5 0.678 -1.027 3.202 0.00 0.00 +0.040 C BRANCH 87 89 ATOM 89 OG1 THR A 5 0.372 1.358 3.068 0.00 0.00 -0.390 OA ATOM 90 HG1 THR A 5 1.227 1.477 2.592 0.00 0.00 +0.210 HD ENDBRANCH 87 89 ENDBRANCH 1 87 TORSDOF 42