REMARK Name = BDB057114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA CYS A 1 -0.870 4.702 -0.379 0.00 0.00 +0.169 C ATOM 2 C CYS A 1 -1.655 4.315 0.882 0.00 0.00 +0.235 C ATOM 3 O CYS A 1 -1.549 4.999 1.910 0.00 0.00 -0.274 OA ATOM 4 N ASP A 2 -2.509 3.263 0.940 0.00 0.00 -0.302 N ATOM 5 H ASP A 2 -2.899 3.180 1.874 0.00 0.00 +0.150 HD ATOM 6 CA ASP A 2 -2.964 2.229 -0.005 0.00 0.00 +0.169 C ATOM 7 C ASP A 2 -1.878 1.177 -0.315 0.00 0.00 +0.234 C ATOM 8 O ASP A 2 -0.681 1.473 -0.329 0.00 0.00 -0.274 OA ATOM 9 N GLU A 3 -2.253 -0.095 -0.664 0.00 0.00 -0.302 N ATOM 10 H GLU A 3 -1.479 -0.691 -0.960 0.00 0.00 +0.150 HD ATOM 11 CA GLU A 3 -3.570 -0.722 -0.502 0.00 0.00 +0.159 C ATOM 12 C GLU A 3 -3.716 -1.269 0.936 0.00 0.00 +0.234 C ATOM 13 O GLU A 3 -4.462 -0.683 1.731 0.00 0.00 -0.274 OA ATOM 14 N GLU A 4 -3.060 -2.348 1.436 0.00 0.00 -0.302 N ATOM 15 H GLU A 4 -3.351 -2.474 2.400 0.00 0.00 +0.150 HD ATOM 16 CA GLU A 4 -1.800 -3.007 1.052 0.00 0.00 +0.159 C ATOM 17 C GLU A 4 -2.036 -4.059 -0.049 0.00 0.00 +0.234 C ATOM 18 O GLU A 4 -3.145 -4.593 -0.195 0.00 0.00 -0.274 OA ATOM 19 N THR A 5 -1.022 -4.469 -0.848 0.00 0.00 -0.300 N ATOM 20 H THR A 5 -1.291 -5.083 -1.612 0.00 0.00 +0.150 HD ATOM 21 CA THR A 5 0.383 -4.040 -0.891 0.00 0.00 +0.187 C ATOM 22 C THR A 5 0.487 -2.598 -1.434 0.00 0.00 +0.236 C ATOM 23 O THR A 5 -0.499 -1.981 -1.849 0.00 0.00 -0.274 OA ATOM 24 N GLY A 6 1.685 -1.946 -1.395 0.00 0.00 -0.305 N ATOM 25 H GLY A 6 1.609 -0.958 -1.656 0.00 0.00 +0.149 HD ATOM 26 CA GLY A 6 2.844 -2.252 -0.571 0.00 0.00 +0.200 C ATOM 27 C GLY A 6 2.626 -1.711 0.841 0.00 0.00 +0.231 C ATOM 28 O GLY A 6 1.802 -2.254 1.585 0.00 0.00 -0.274 OA ATOM 29 N GLU A 7 3.247 -0.597 1.308 0.00 0.00 -0.303 N ATOM 30 H GLU A 7 2.853 -0.331 2.206 0.00 0.00 +0.149 HD ATOM 31 CA GLU A 7 4.102 0.409 0.671 0.00 0.00 +0.159 C ATOM 32 C GLU A 7 3.346 1.177 -0.436 0.00 0.00 +0.234 C ATOM 33 O GLU A 7 2.607 0.605 -1.238 0.00 0.00 -0.274 OA ATOM 34 N CYS A 8 3.519 2.521 -0.570 0.00 0.00 -0.300 N ATOM 35 H CYS A 8 2.890 2.934 -1.254 0.00 0.00 +0.150 HD ATOM 36 CA CYS A 8 4.423 3.430 0.137 0.00 0.00 +0.192 C ATOM 37 CB CYS A 8 4.623 4.751 -0.619 0.00 0.00 +0.114 C ATOM 38 SG CYS A 8 3.234 5.951 -0.728 0.00 0.00 -0.091 S ATOM 39 SG CYS A 1 1.654 4.931 -1.565 0.00 0.00 -0.091 S ATOM 40 CB CYS A 1 0.625 4.475 -0.103 0.00 0.00 +0.112 C ENDROOT BRANCH 1 43 ATOM 41 C UNK A 0 -2.462 8.085 -1.151 0.00 0.00 +0.109 C ATOM 42 C UNK A 0 -2.296 6.589 -1.173 0.00 0.00 +0.211 C ATOM 43 N CYS A 1 -1.147 6.139 -0.578 0.00 0.00 -0.303 N ATOM 44 H CYS A 1 -0.739 6.747 0.125 0.00 0.00 +0.149 HD ATOM 45 O UNK A 0 -3.126 5.850 -1.697 0.00 0.00 -0.276 OA ENDBRANCH 1 43 BRANCH 36 46 ATOM 46 C CYS A 8 4.005 3.705 1.589 0.00 0.00 +0.326 C ATOM 47 O CYS A 8 2.858 3.901 1.958 0.00 0.00 -0.249 OA BRANCH 46 48 ATOM 48 OXT CYS A 8 5.028 3.669 2.475 0.00 0.00 -0.479 OA ATOM 49 HXT CYS A 8 5.868 3.270 2.147 0.00 0.00 +0.295 HD ENDBRANCH 46 48 ENDBRANCH 36 46 BRANCH 21 50 ATOM 50 CB THR A 5 1.191 -5.026 -1.771 0.00 0.00 +0.141 C ATOM 51 CG2 THR A 5 1.576 -6.275 -0.984 0.00 0.00 +0.040 C BRANCH 50 52 ATOM 52 OG1 THR A 5 0.394 -5.432 -2.895 0.00 0.00 -0.390 OA ATOM 53 HG1 THR A 5 0.903 -6.092 -3.399 0.00 0.00 +0.210 HD ENDBRANCH 50 52 ENDBRANCH 21 50 BRANCH 16 54 ATOM 54 CB GLU A 4 -1.178 -3.681 2.294 0.00 0.00 +0.043 C BRANCH 54 55 ATOM 55 CG GLU A 4 -1.950 -4.899 2.819 0.00 0.00 +0.123 C BRANCH 55 56 ATOM 56 CD GLU A 4 -1.456 -6.187 2.200 0.00 0.00 +0.305 C ATOM 57 OE1 GLU A 4 -0.349 -6.658 2.419 0.00 0.00 -0.251 OA BRANCH 56 58 ATOM 58 OE2 GLU A 4 -2.324 -6.763 1.345 0.00 0.00 -0.481 OA ATOM 59 HE2 GLU A 4 -3.113 -6.222 1.125 0.00 0.00 +0.295 HD ENDBRANCH 56 58 ENDBRANCH 55 56 ENDBRANCH 54 55 ENDBRANCH 16 54 BRANCH 31 60 ATOM 60 CB GLU A 7 5.482 -0.086 0.214 0.00 0.00 +0.043 C BRANCH 60 61 ATOM 61 CG GLU A 7 6.391 -0.510 1.373 0.00 0.00 +0.123 C BRANCH 61 62 ATOM 62 CD GLU A 7 6.927 0.664 2.153 0.00 0.00 +0.305 C ATOM 63 OE1 GLU A 7 6.753 1.849 1.904 0.00 0.00 -0.251 OA BRANCH 62 64 ATOM 64 OE2 GLU A 7 7.655 0.267 3.211 0.00 0.00 -0.481 OA ATOM 65 HE2 GLU A 7 7.956 1.073 3.680 0.00 0.00 +0.295 HD ENDBRANCH 62 64 ENDBRANCH 61 62 ENDBRANCH 60 61 ENDBRANCH 31 60 BRANCH 11 66 ATOM 66 CB GLU A 3 -3.857 -1.709 -1.636 0.00 0.00 +0.043 C BRANCH 66 67 ATOM 67 CG GLU A 3 -5.332 -2.054 -1.847 0.00 0.00 +0.123 C BRANCH 67 68 ATOM 68 CD GLU A 3 -6.098 -2.651 -0.690 0.00 0.00 +0.305 C ATOM 69 OE1 GLU A 3 -7.186 -2.225 -0.327 0.00 0.00 -0.251 OA BRANCH 68 70 ATOM 70 OE2 GLU A 3 -5.548 -3.741 -0.130 0.00 0.00 -0.481 OA ATOM 71 HE2 GLU A 3 -4.672 -4.035 -0.474 0.00 0.00 +0.295 HD ENDBRANCH 68 70 ENDBRANCH 67 68 ENDBRANCH 66 67 ENDBRANCH 11 66 BRANCH 6 72 ATOM 72 CB ASP A 2 -3.590 2.722 -1.308 0.00 0.00 +0.152 C BRANCH 72 73 ATOM 73 CG ASP A 2 -5.011 3.144 -1.086 0.00 0.00 +0.307 C ATOM 74 OD1 ASP A 2 -5.894 2.352 -0.790 0.00 0.00 -0.251 OA BRANCH 73 75 ATOM 75 OD2 ASP A 2 -5.243 4.460 -1.250 0.00 0.00 -0.481 OA ATOM 76 HD2 ASP A 2 -4.447 4.998 -1.492 0.00 0.00 +0.295 HD ENDBRANCH 73 75 ENDBRANCH 72 73 ENDBRANCH 6 72 TORSDOF 20