REMARK Name = BDB060234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 5 -0.470 -0.283 1.550 0.00 0.00 +0.184 C ENDROOT BRANCH 1 3 ATOM 2 C GLU A 4 -2.547 0.725 0.624 0.00 0.00 +0.234 C ATOM 3 N UNK A 5 -1.496 -0.144 0.512 0.00 0.00 -0.301 N ATOM 4 H UNK A 5 -1.423 -0.779 -0.280 0.00 0.00 +0.150 HD ATOM 5 O GLU A 4 -2.679 1.462 1.602 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLU A 4 -3.540 0.727 -0.556 0.00 0.00 +0.159 C BRANCH 6 8 ATOM 7 C UNK A 3 -5.763 1.048 0.459 0.00 0.00 +0.234 C ATOM 8 N GLU A 4 -4.670 1.588 -0.197 0.00 0.00 -0.302 N ATOM 9 H GLU A 4 -4.412 2.524 0.095 0.00 0.00 +0.150 HD ATOM 10 O UNK A 3 -5.934 -0.159 0.591 0.00 0.00 -0.274 OA BRANCH 7 13 ATOM 11 C ASP A 2 -9.053 0.987 0.785 0.00 0.00 +0.237 C ATOM 12 N UNK A 3 -8.017 1.557 1.492 0.00 0.00 -0.286 N ATOM 13 C UNK A 3 -6.751 2.105 0.985 0.00 0.00 +0.165 C ATOM 14 C UNK A 3 -6.124 2.816 2.192 0.00 0.00 +0.070 C ATOM 15 C UNK A 3 -7.308 3.121 3.088 0.00 0.00 +0.186 C ATOM 16 F UNK A 3 -6.909 3.243 4.372 0.00 0.00 -0.244 F ATOM 17 C UNK A 3 -8.202 1.913 2.892 0.00 0.00 +0.145 C ATOM 18 O ASP A 2 -10.126 0.713 1.339 0.00 0.00 -0.274 OA BRANCH 11 19 ATOM 19 CA ASP A 2 -8.911 0.757 -0.745 0.00 0.00 +0.170 C BRANCH 19 21 ATOM 20 C LEU A 1 -9.824 -1.467 -1.401 0.00 0.00 +0.234 C ATOM 21 N ASP A 2 -10.020 -0.132 -1.131 0.00 0.00 -0.302 N ATOM 22 H ASP A 2 -10.915 0.133 -0.734 0.00 0.00 +0.150 HD ATOM 23 O LEU A 1 -8.707 -1.953 -1.585 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 CA LEU A 1 -11.112 -2.318 -1.498 0.00 0.00 +0.159 C BRANCH 24 27 ATOM 25 C UNK A 0 -10.880 -5.744 -3.123 0.00 0.00 +0.109 C ATOM 26 C UNK A 0 -11.542 -4.480 -2.648 0.00 0.00 +0.211 C ATOM 27 N LEU A 1 -10.694 -3.631 -1.986 0.00 0.00 -0.304 N ATOM 28 H LEU A 1 -9.698 -3.834 -1.933 0.00 0.00 +0.149 HD ATOM 29 O UNK A 0 -12.724 -4.231 -2.859 0.00 0.00 -0.276 OA ENDBRANCH 24 27 BRANCH 24 30 ATOM 30 CB LEU A 1 -11.821 -2.445 -0.137 0.00 0.00 +0.034 C BRANCH 30 31 ATOM 31 CG LEU A 1 -13.039 -1.516 0.048 0.00 0.00 -0.015 C ATOM 32 CD2 LEU A 1 -14.201 -1.896 -0.870 0.00 0.00 +0.007 C ATOM 33 CD1 LEU A 1 -13.507 -1.564 1.506 0.00 0.00 +0.007 C ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 20 24 ENDBRANCH 19 21 BRANCH 19 34 ATOM 34 CB ASP A 2 -8.984 2.036 -1.572 0.00 0.00 +0.152 C BRANCH 34 35 ATOM 35 CG ASP A 2 -9.770 3.116 -0.895 0.00 0.00 +0.307 C ATOM 36 OD1 ASP A 2 -9.294 4.057 -0.282 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 OD2 ASP A 2 -11.100 2.940 -0.992 0.00 0.00 -0.481 OA ATOM 38 HD2 ASP A 2 -11.494 3.677 -0.477 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 19 34 ENDBRANCH 11 19 ENDBRANCH 7 13 ENDBRANCH 6 8 BRANCH 6 39 ATOM 39 CB GLU A 4 -2.892 1.176 -1.872 0.00 0.00 +0.043 C BRANCH 39 40 ATOM 40 CG GLU A 4 -2.268 2.574 -1.825 0.00 0.00 +0.123 C BRANCH 40 41 ATOM 41 CD GLU A 4 -1.713 2.972 -3.167 0.00 0.00 +0.305 C ATOM 42 OE1 GLU A 4 -1.645 2.288 -4.173 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 OE2 GLU A 4 -1.262 4.241 -3.163 0.00 0.00 -0.481 OA ATOM 44 HE2 GLU A 4 -0.932 4.384 -4.076 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 6 39 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 45 ATOM 45 C UNK A 5 0.719 -1.042 0.940 0.00 0.00 +0.236 C ATOM 46 N UNK A 5 1.835 -1.122 1.741 0.00 0.00 -0.305 N ATOM 47 H UNK A 5 1.880 -0.531 2.566 0.00 0.00 +0.149 HD ATOM 48 O UNK A 5 0.669 -1.522 -0.192 0.00 0.00 -0.274 OA BRANCH 46 49 ATOM 49 C UNK A 5 3.119 -1.558 1.213 0.00 0.00 +0.200 C BRANCH 49 50 ATOM 50 C UNK A 5 4.078 -0.365 1.250 0.00 0.00 +0.231 C ATOM 51 N UNK A 5 5.076 -0.401 0.314 0.00 0.00 -0.303 N ATOM 52 H UNK A 5 5.123 -1.198 -0.322 0.00 0.00 +0.149 HD ATOM 53 O UNK A 5 3.991 0.506 2.118 0.00 0.00 -0.274 OA BRANCH 51 54 ATOM 54 C UNK A 5 6.084 0.636 0.050 0.00 0.00 +0.159 C BRANCH 54 55 ATOM 55 C UNK A 5 7.207 -0.064 -0.756 0.00 0.00 +0.234 C ATOM 56 N UNK A 5 8.385 0.640 -0.908 0.00 0.00 -0.302 N ATOM 57 H UNK A 5 8.292 1.649 -0.861 0.00 0.00 +0.150 HD ATOM 58 O UNK A 5 7.029 -1.165 -1.278 0.00 0.00 -0.274 OA BRANCH 56 59 ATOM 59 C UNK A 5 9.392 0.160 -1.875 0.00 0.00 +0.163 C BRANCH 59 60 ATOM 60 C UNK A 5 10.052 -1.157 -1.415 0.00 0.00 +0.234 C ATOM 61 N UNK A 5 10.143 -1.302 -0.047 0.00 0.00 -0.302 N ATOM 62 H UNK A 5 9.498 -0.736 0.497 0.00 0.00 +0.150 HD ATOM 63 O UNK A 5 10.605 -1.921 -2.203 0.00 0.00 -0.274 OA BRANCH 61 64 ATOM 64 C UNK A 5 10.527 -2.567 0.566 0.00 0.00 +0.159 C BRANCH 64 65 ATOM 65 C UNK A 5 9.320 -3.053 1.397 0.00 0.00 +0.231 C ATOM 66 O UNK A 5 8.381 -2.326 1.718 0.00 0.00 -0.274 OA ATOM 67 N UNK A 5 9.365 -4.352 1.817 0.00 0.00 -0.328 N ATOM 68 H UNK A 5 8.545 -4.704 2.294 0.00 0.00 +0.145 HD ATOM 69 H UNK A 5 9.986 -5.027 1.391 0.00 0.00 +0.145 HD ENDBRANCH 64 65 BRANCH 64 70 ATOM 70 C UNK A 5 11.757 -2.394 1.467 0.00 0.00 +0.034 C BRANCH 70 71 ATOM 71 C UNK A 5 13.042 -1.982 0.719 0.00 0.00 -0.015 C ATOM 72 C UNK A 5 14.150 -1.663 1.726 0.00 0.00 +0.007 C ATOM 73 C UNK A 5 13.529 -3.070 -0.242 0.00 0.00 +0.007 C ENDBRANCH 70 71 ENDBRANCH 64 70 ENDBRANCH 61 64 ENDBRANCH 59 60 BRANCH 59 74 ATOM 74 C UNK A 5 10.524 1.188 -2.062 0.00 0.00 +0.067 C BRANCH 74 75 ATOM 75 C UNK A 5 10.037 2.539 -2.537 0.00 0.00 -0.045 A ATOM 76 C UNK A 5 10.140 3.663 -1.704 0.00 0.00 +0.004 A ATOM 77 C UNK A 5 9.671 4.905 -2.131 0.00 0.00 +0.000 A ATOM 78 C UNK A 5 9.095 5.039 -3.392 0.00 0.00 +0.000 A ATOM 79 C UNK A 5 8.997 3.931 -4.232 0.00 0.00 +0.000 A ATOM 80 C UNK A 5 9.469 2.688 -3.809 0.00 0.00 +0.004 A ENDBRANCH 74 75 ENDBRANCH 59 74 ENDBRANCH 56 59 ENDBRANCH 54 55 BRANCH 54 81 ATOM 81 C UNK A 5 6.573 1.417 1.276 0.00 0.00 +0.043 C BRANCH 81 82 ATOM 82 C UNK A 5 7.074 0.545 2.425 0.00 0.00 +0.123 C BRANCH 82 83 ATOM 83 C UNK A 5 6.860 1.228 3.751 0.00 0.00 +0.305 C ATOM 84 O UNK A 5 7.770 1.646 4.452 0.00 0.00 -0.251 OA BRANCH 83 85 ATOM 85 O UNK A 5 5.559 1.341 4.100 0.00 0.00 -0.481 OA ATOM 86 H UNK A 5 4.927 1.005 3.417 0.00 0.00 +0.295 HD ENDBRANCH 83 85 ENDBRANCH 82 83 ENDBRANCH 81 82 ENDBRANCH 54 81 ENDBRANCH 51 54 ENDBRANCH 49 50 ENDBRANCH 46 49 ENDBRANCH 1 45 BRANCH 1 87 ATOM 87 C UNK A 5 -1.017 -0.980 2.803 0.00 0.00 +0.187 C BRANCH 87 88 ATOM 88 O UNK A 5 -1.586 -0.028 3.703 0.00 0.00 -0.393 OA ATOM 89 H UNK A 5 -2.182 0.551 3.181 0.00 0.00 +0.209 HD ENDBRANCH 87 88 ENDBRANCH 1 87 TORSDOF 36