REMARK Name = BDB061952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 5 0.698 -3.328 -1.441 0.00 0.00 +0.187 C ATOM 2 C THR A 5 0.301 -2.516 -2.697 0.00 0.00 +0.236 C ATOM 3 O THR A 5 0.643 -2.937 -3.810 0.00 0.00 -0.274 OA ATOM 4 N GLY A 6 -0.480 -1.403 -2.671 0.00 0.00 -0.305 N ATOM 5 H GLY A 6 -0.666 -1.085 -3.618 0.00 0.00 +0.149 HD ATOM 6 CA GLY A 6 -1.484 -0.960 -1.711 0.00 0.00 +0.200 C ATOM 7 C GLY A 6 -2.908 -1.196 -2.216 0.00 0.00 +0.231 C ATOM 8 O GLY A 6 -3.139 -1.846 -3.238 0.00 0.00 -0.274 OA ATOM 9 N GLU A 7 -3.973 -0.748 -1.487 0.00 0.00 -0.303 N ATOM 10 H GLU A 7 -4.827 -0.890 -2.019 0.00 0.00 +0.149 HD ATOM 11 CA GLU A 7 -4.062 0.299 -0.457 0.00 0.00 +0.159 C ATOM 12 C GLU A 7 -3.901 1.696 -1.101 0.00 0.00 +0.234 C ATOM 13 O GLU A 7 -3.233 1.860 -2.124 0.00 0.00 -0.274 OA ATOM 14 N UNK A 8 -4.461 2.786 -0.497 0.00 0.00 -0.300 N ATOM 15 H UNK A 8 -4.359 3.630 -1.056 0.00 0.00 +0.150 HD ATOM 16 C UNK A 8 -5.487 2.824 0.559 0.00 0.00 +0.192 C ATOM 17 C UNK A 8 -5.429 4.158 1.323 0.00 0.00 +0.103 C ATOM 18 S UNK A 8 -5.754 5.615 0.254 0.00 0.00 -0.155 S ATOM 19 C UNK A 8 -4.702 6.862 1.092 0.00 0.00 +0.110 C ATOM 20 C UNK A 8 -3.298 6.892 0.484 0.00 0.00 +0.239 C ATOM 21 O UNK A 8 -2.549 5.777 0.972 0.00 0.00 -0.491 OA ATOM 22 C UNK A 8 -1.709 5.122 0.118 0.00 0.00 +0.121 A ATOM 23 C UNK A 8 -1.356 5.517 -1.172 0.00 0.00 +0.046 A ATOM 24 C UNK A 8 -0.521 4.710 -1.952 0.00 0.00 +0.007 A ATOM 25 C UNK A 8 -0.005 3.511 -1.444 0.00 0.00 -0.045 A ATOM 26 C UNK A 8 -0.330 3.135 -0.136 0.00 0.00 +0.007 A ATOM 27 C UNK A 8 0.889 2.644 -2.299 0.00 0.00 +0.063 C ATOM 28 C UNK A 8 2.371 2.675 -1.878 0.00 0.00 +0.142 C ATOM 29 C UNK A 8 3.128 1.644 -2.737 0.00 0.00 +0.231 C ATOM 30 O UNK A 8 3.103 1.702 -3.969 0.00 0.00 -0.274 OA ATOM 31 N ASP A 2 3.867 0.652 -2.166 0.00 0.00 -0.302 N ATOM 32 H ASP A 2 4.337 0.091 -2.867 0.00 0.00 +0.150 HD ATOM 33 CA ASP A 2 4.219 0.397 -0.765 0.00 0.00 +0.169 C ATOM 34 C ASP A 2 2.994 -0.066 0.059 0.00 0.00 +0.235 C ATOM 35 O ASP A 2 1.827 0.136 -0.294 0.00 0.00 -0.274 OA ATOM 36 N SER A 3 3.181 -0.695 1.256 0.00 0.00 -0.301 N ATOM 37 H SER A 3 2.297 -0.943 1.700 0.00 0.00 +0.150 HD ATOM 38 CA SER A 3 4.353 -1.446 1.701 0.00 0.00 +0.184 C ATOM 39 C SER A 3 4.591 -2.762 0.923 0.00 0.00 +0.236 C ATOM 40 O SER A 3 5.760 -3.082 0.662 0.00 0.00 -0.274 OA ATOM 41 N GLU A 4 3.629 -3.620 0.495 0.00 0.00 -0.302 N ATOM 42 H GLU A 4 4.082 -4.387 0.003 0.00 0.00 +0.150 HD ATOM 43 CA GLU A 4 2.341 -4.050 1.065 0.00 0.00 +0.159 C ATOM 44 C GLU A 4 1.290 -2.928 1.012 0.00 0.00 +0.234 C ATOM 45 O GLU A 4 1.097 -2.184 1.981 0.00 0.00 -0.274 OA ATOM 46 C UNK A 8 -1.174 3.937 0.636 0.00 0.00 +0.046 A ATOM 47 N THR A 5 0.667 -2.611 -0.163 0.00 0.00 -0.300 N ATOM 48 H THR A 5 0.471 -1.615 -0.206 0.00 0.00 +0.150 HD ENDROOT BRANCH 28 49 ATOM 49 N UNK A 8 3.005 4.001 -2.092 0.00 0.00 -0.320 NA ATOM 50 H ACE A 1 2.379 4.717 -1.720 0.00 0.00 +0.119 HD ATOM 51 H ACE A 1 3.030 4.162 -3.104 0.00 0.00 +0.119 HD ENDBRANCH 28 49 BRANCH 1 53 ATOM 52 CG2 THR A 5 -1.620 -4.516 -1.519 0.00 0.00 +0.040 C ATOM 53 CB THR A 5 -0.107 -4.659 -1.423 0.00 0.00 +0.141 C BRANCH 53 54 ATOM 54 OG1 THR A 5 0.345 -5.537 -2.458 0.00 0.00 -0.390 OA ATOM 55 HG1 THR A 5 0.219 -5.075 -3.313 0.00 0.00 +0.210 HD ENDBRANCH 53 54 ENDBRANCH 1 53 BRANCH 16 56 ATOM 56 C UNK A 8 -6.875 2.520 -0.019 0.00 0.00 +0.326 C ATOM 57 O UNK A 8 -7.107 1.899 -1.045 0.00 0.00 -0.249 OA BRANCH 56 58 ATOM 58 O UNK A 8 -7.897 2.900 0.774 0.00 0.00 -0.479 OA ATOM 59 H UNK A 8 -8.696 2.636 0.268 0.00 0.00 +0.295 HD ENDBRANCH 56 58 ENDBRANCH 16 56 BRANCH 33 60 ATOM 60 CB ASP A 2 4.956 1.556 -0.093 0.00 0.00 +0.152 C BRANCH 60 61 ATOM 61 CG ASP A 2 6.424 1.256 -0.006 0.00 0.00 +0.307 C ATOM 62 OD1 ASP A 2 7.142 0.872 -0.911 0.00 0.00 -0.251 OA BRANCH 61 63 ATOM 63 OD2 ASP A 2 6.925 1.462 1.227 0.00 0.00 -0.481 OA ATOM 64 HD2 ASP A 2 7.895 1.350 1.107 0.00 0.00 +0.295 HD ENDBRANCH 61 63 ENDBRANCH 60 61 ENDBRANCH 33 60 BRANCH 38 65 ATOM 65 CB SER A 3 4.335 -1.654 3.221 0.00 0.00 +0.187 C BRANCH 65 66 ATOM 66 OG SER A 3 5.387 -2.482 3.699 0.00 0.00 -0.393 OA ATOM 67 H SER A 3 6.227 -2.184 3.302 0.00 0.00 +0.209 HD ENDBRANCH 65 66 ENDBRANCH 38 65 BRANCH 43 68 ATOM 68 CB GLU A 4 2.445 -4.692 2.460 0.00 0.00 +0.043 C BRANCH 68 69 ATOM 69 CG GLU A 4 3.662 -5.585 2.720 0.00 0.00 +0.123 C BRANCH 69 70 ATOM 70 CD GLU A 4 3.816 -6.715 1.740 0.00 0.00 +0.305 C ATOM 71 OE1 GLU A 4 3.565 -6.677 0.547 0.00 0.00 -0.251 OA BRANCH 70 72 ATOM 72 OE2 GLU A 4 4.335 -7.820 2.303 0.00 0.00 -0.481 OA ATOM 73 HE2 GLU A 4 4.442 -8.453 1.562 0.00 0.00 +0.295 HD ENDBRANCH 70 72 ENDBRANCH 69 70 ENDBRANCH 68 69 ENDBRANCH 43 68 BRANCH 11 74 ATOM 74 CB GLU A 7 -3.147 0.133 0.768 0.00 0.00 +0.043 C BRANCH 74 75 ATOM 75 CG GLU A 7 -3.331 -1.199 1.497 0.00 0.00 +0.123 C BRANCH 75 76 ATOM 76 CD GLU A 7 -4.668 -1.295 2.181 0.00 0.00 +0.305 C ATOM 77 OE1 GLU A 7 -5.481 -0.398 2.326 0.00 0.00 -0.251 OA BRANCH 76 78 ATOM 78 OE2 GLU A 7 -4.897 -2.527 2.667 0.00 0.00 -0.481 OA ATOM 79 HE2 GLU A 7 -5.782 -2.477 3.086 0.00 0.00 +0.295 HD ENDBRANCH 76 78 ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 11 74 TORSDOF 18