REMARK Name = BDB064979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 3 -4.227 2.462 -0.275 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 3 -4.942 1.105 -0.032 0.00 0.00 +0.234 C ATOM 3 N MET A 4 -6.093 1.198 0.729 0.00 0.00 -0.302 N ATOM 4 H MET A 4 -6.192 2.029 1.303 0.00 0.00 +0.150 HD ATOM 5 O UNK A 3 -4.511 0.040 -0.469 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA MET A 4 -6.872 0.028 1.139 0.00 0.00 +0.160 C BRANCH 6 7 ATOM 7 C MET A 4 -6.125 -0.817 2.208 0.00 0.00 +0.237 C ATOM 8 N PRO A 5 -6.826 -1.837 2.825 0.00 0.00 -0.286 N ATOM 9 CA PRO A 5 -6.137 -2.751 3.744 0.00 0.00 +0.184 C ATOM 10 CB PRO A 5 -7.260 -3.553 4.409 0.00 0.00 +0.035 C ATOM 11 CG PRO A 5 -8.498 -2.684 4.226 0.00 0.00 +0.021 C ATOM 12 CD PRO A 5 -8.265 -2.022 2.877 0.00 0.00 +0.109 C ATOM 13 O MET A 4 -4.961 -0.577 2.536 0.00 0.00 -0.274 OA BRANCH 9 14 ATOM 14 C PRO A 5 -5.221 -3.703 2.978 0.00 0.00 +0.325 C ATOM 15 O PRO A 5 -5.310 -4.024 1.801 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT PRO A 5 -4.295 -4.287 3.771 0.00 0.00 -0.479 OA ATOM 17 HXT PRO A 5 -3.780 -4.843 3.148 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 7 BRANCH 6 18 ATOM 18 CB MET A 4 -7.403 -0.790 -0.057 0.00 0.00 +0.042 C BRANCH 18 19 ATOM 19 CG MET A 4 -8.819 -0.344 -0.422 0.00 0.00 +0.071 C BRANCH 19 20 ATOM 20 SD MET A 4 -9.461 -1.077 -1.963 0.00 0.00 -0.164 S ATOM 21 CE MET A 4 -9.304 -2.838 -1.577 0.00 0.00 +0.084 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 6 18 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 23 ATOM 22 C GLY A 2 -2.590 1.819 -2.050 0.00 0.00 +0.231 C ATOM 23 N UNK A 3 -2.860 2.199 -0.745 0.00 0.00 -0.302 N ATOM 24 H UNK A 3 -2.255 1.751 -0.060 0.00 0.00 +0.150 HD ATOM 25 O GLY A 2 -3.393 1.895 -2.972 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 CA GLY A 2 -1.217 1.165 -2.232 0.00 0.00 +0.200 C BRANCH 26 28 ATOM 27 C ASP A 1 0.997 1.145 -1.044 0.00 0.00 +0.234 C ATOM 28 N GLY A 2 -0.241 1.675 -1.276 0.00 0.00 -0.305 N ATOM 29 H GLY A 2 -0.263 2.674 -1.105 0.00 0.00 +0.149 HD ATOM 30 O ASP A 1 1.860 1.866 -0.532 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 CA ASP A 1 1.238 -0.354 -1.317 0.00 0.00 +0.169 C BRANCH 31 33 ATOM 32 C UNK A 0 3.308 -0.468 -2.651 0.00 0.00 +0.214 C ATOM 33 N ASP A 1 2.682 -0.570 -1.425 0.00 0.00 -0.303 N ATOM 34 H ASP A 1 3.228 -0.306 -0.612 0.00 0.00 +0.149 HD ATOM 35 O UNK A 0 2.694 -0.381 -3.709 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C UNK A 0 4.822 -0.439 -2.547 0.00 0.00 +0.096 C BRANCH 36 37 ATOM 37 C UNK A 0 5.494 -0.677 -3.898 0.00 0.00 +0.009 C BRANCH 37 38 ATOM 38 C UNK A 0 6.990 -0.364 -3.925 0.00 0.00 +0.000 C BRANCH 38 39 ATOM 39 C UNK A 0 7.850 -1.215 -2.984 0.00 0.00 +0.000 C BRANCH 39 40 ATOM 40 C UNK A 0 8.188 -0.488 -1.678 0.00 0.00 +0.000 C BRANCH 40 41 ATOM 41 C UNK A 0 9.113 -1.280 -0.745 0.00 0.00 +0.000 C BRANCH 41 42 ATOM 42 C UNK A 0 10.480 -1.584 -1.365 0.00 0.00 -0.000 C BRANCH 42 43 ATOM 43 C UNK A 0 11.498 -2.135 -0.360 0.00 0.00 -0.000 C BRANCH 43 44 ATOM 44 C UNK A 0 12.071 -1.049 0.556 0.00 0.00 -0.000 C BRANCH 44 45 ATOM 45 C UNK A 0 13.109 -1.573 1.553 0.00 0.00 -0.000 C BRANCH 45 46 ATOM 46 C UNK A 0 14.364 -2.206 0.942 0.00 0.00 -0.000 C BRANCH 46 48 ATOM 47 C UNK A 0 15.607 -0.012 0.529 0.00 0.00 +0.004 C ATOM 48 C UNK A 0 15.131 -1.335 -0.055 0.00 0.00 -0.003 C ENDBRANCH 46 48 ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 31 33 BRANCH 31 49 ATOM 49 CB ASP A 1 0.627 -1.220 -0.221 0.00 0.00 +0.152 C BRANCH 49 50 ATOM 50 CG ASP A 1 0.831 -0.634 1.144 0.00 0.00 +0.307 C ATOM 51 OD1 ASP A 1 -0.012 -0.052 1.804 0.00 0.00 -0.251 OA BRANCH 50 52 ATOM 52 OD2 ASP A 1 2.085 -0.793 1.604 0.00 0.00 -0.481 OA ATOM 53 HD2 ASP A 1 2.072 -0.348 2.480 0.00 0.00 +0.295 HD ENDBRANCH 50 52 ENDBRANCH 49 50 ENDBRANCH 31 49 ENDBRANCH 27 31 ENDBRANCH 26 28 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 1 54 ATOM 54 C UNK A 3 -5.045 3.400 -1.185 0.00 0.00 +0.067 C BRANCH 54 55 ATOM 55 C UNK A 3 -6.245 4.035 -0.515 0.00 0.00 -0.045 A ATOM 56 C UNK A 3 -6.092 4.997 0.490 0.00 0.00 +0.007 A ATOM 57 C UNK A 3 -7.215 5.563 1.100 0.00 0.00 +0.046 A ATOM 58 C UNK A 3 -8.499 5.167 0.722 0.00 0.00 +0.132 A ATOM 59 C UNK A 3 -8.663 4.226 -0.288 0.00 0.00 +0.046 A ATOM 60 C UNK A 3 -7.541 3.664 -0.904 0.00 0.00 +0.007 A BRANCH 58 61 ATOM 61 O UNK A 3 -9.536 5.775 1.369 0.00 0.00 -0.404 OA BRANCH 61 62 ATOM 62 P UNK A 3 -10.978 5.118 1.581 0.00 0.00 +0.528 P ATOM 63 O UNK A 3 -11.755 4.756 0.358 0.00 0.00 -0.216 OA BRANCH 62 64 ATOM 64 O UNK A 3 -11.795 6.131 2.508 0.00 0.00 -0.293 OA ATOM 65 H UNK A 3 -12.371 6.700 1.965 0.00 0.00 +0.223 HD ENDBRANCH 62 64 BRANCH 62 66 ATOM 66 O UNK A 3 -10.772 3.855 2.539 0.00 0.00 -0.293 OA ATOM 67 H UNK A 3 -11.115 3.047 2.114 0.00 0.00 +0.223 HD ENDBRANCH 62 66 ENDBRANCH 61 62 ENDBRANCH 58 61 ENDBRANCH 54 55 ENDBRANCH 1 54 TORSDOF 34