REMARK Name = BDB063511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLU A 5 2.010 0.420 0.988 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 N GLU A 5 3.066 1.399 1.233 0.00 0.00 -0.303 N ATOM 3 H GLU A 5 2.946 1.969 2.065 0.00 0.00 +0.149 HD ATOM 4 C GLY A 4 3.704 2.001 0.172 0.00 0.00 +0.231 C ATOM 5 O GLY A 4 3.529 1.669 -1.001 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 CA GLY A 4 4.663 3.131 0.557 0.00 0.00 +0.200 C BRANCH 6 7 ATOM 7 N GLY A 4 5.669 3.217 -0.489 0.00 0.00 -0.305 N ATOM 8 H GLY A 4 5.300 3.387 -1.418 0.00 0.00 +0.149 HD ATOM 9 C GLU A 3 6.806 2.442 -0.403 0.00 0.00 +0.234 C ATOM 10 O GLU A 3 7.166 1.877 0.631 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 CA GLU A 3 7.561 2.255 -1.729 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 N GLU A 3 8.919 1.848 -1.426 0.00 0.00 -0.303 N ATOM 13 H GLU A 3 9.091 1.422 -0.520 0.00 0.00 +0.149 HD ATOM 14 C GLY A 2 9.973 2.041 -2.286 0.00 0.00 +0.231 C ATOM 15 O GLY A 2 9.887 2.729 -3.299 0.00 0.00 -0.274 OA BRANCH 14 16 ATOM 16 CA GLY A 2 11.287 1.390 -1.837 0.00 0.00 +0.200 C BRANCH 16 17 ATOM 17 N GLY A 2 11.012 0.171 -1.086 0.00 0.00 -0.305 N ATOM 18 H GLY A 2 10.308 -0.440 -1.506 0.00 0.00 +0.149 HD ATOM 19 C CYS A 1 11.229 0.069 0.273 0.00 0.00 +0.231 C ATOM 20 O CYS A 1 11.820 0.924 0.922 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 CA CYS A 1 10.620 -1.209 0.890 0.00 0.00 +0.147 C BRANCH 21 22 ATOM 22 N CYS A 1 11.143 -2.408 0.178 0.00 0.00 -0.319 NA ATOM 23 H1 CYS A 1 12.143 -2.486 0.379 0.00 0.00 +0.119 HD ATOM 24 H2 CYS A 1 11.095 -2.242 -0.829 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 CB CYS A 1 10.895 -1.255 2.401 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 SG CYS A 1 10.111 -2.702 3.189 0.00 0.00 -0.176 S ATOM 27 HG CYS A 1 10.610 -3.601 2.325 0.00 0.00 +0.102 HD ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 19 21 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 11 28 ATOM 28 CB GLU A 3 6.852 1.240 -2.650 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 CG GLU A 3 6.414 -0.084 -2.006 0.00 0.00 +0.123 C BRANCH 29 30 ATOM 30 CD GLU A 3 7.529 -1.033 -1.644 0.00 0.00 +0.305 C ATOM 31 OE1 GLU A 3 8.691 -1.009 -2.012 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 OE2 GLU A 3 7.099 -2.023 -0.825 0.00 0.00 -0.481 OA ATOM 33 HE2 GLU A 3 7.894 -2.591 -0.695 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 11 28 ENDBRANCH 9 11 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 36 ATOM 34 N ALA A 6 -0.393 0.492 0.476 0.00 0.00 -0.303 N ATOM 35 H ALA A 6 -0.263 -0.428 0.060 0.00 0.00 +0.149 HD ATOM 36 C GLU A 5 0.666 1.176 1.016 0.00 0.00 +0.234 C ATOM 37 O GLU A 5 0.550 2.291 1.526 0.00 0.00 -0.274 OA BRANCH 34 38 ATOM 38 CA ALA A 6 -1.737 1.052 0.417 0.00 0.00 +0.156 C ATOM 39 CB ALA A 6 -1.873 2.037 -0.739 0.00 0.00 +0.038 C BRANCH 38 42 ATOM 40 N ASP A 7 -4.054 0.236 0.402 0.00 0.00 -0.302 N ATOM 41 H ASP A 7 -4.316 1.183 0.671 0.00 0.00 +0.150 HD ATOM 42 C ALA A 6 -2.734 -0.110 0.258 0.00 0.00 +0.234 C ATOM 43 O ALA A 6 -2.374 -1.261 0.011 0.00 0.00 -0.274 OA BRANCH 40 44 ATOM 44 CA ASP A 7 -5.142 -0.737 0.292 0.00 0.00 +0.169 C BRANCH 44 47 ATOM 45 N VAL A 8 -7.364 -0.556 -0.753 0.00 0.00 -0.302 N ATOM 46 H VAL A 8 -7.227 -1.551 -0.920 0.00 0.00 +0.150 HD ATOM 47 C ASP A 7 -6.436 0.068 0.052 0.00 0.00 +0.234 C ATOM 48 O ASP A 7 -6.612 1.174 0.561 0.00 0.00 -0.274 OA BRANCH 45 49 ATOM 49 CA VAL A 8 -8.753 -0.093 -0.836 0.00 0.00 +0.161 C BRANCH 49 50 ATOM 50 C VAL A 8 -9.598 -1.070 0.020 0.00 0.00 +0.234 C ATOM 51 N CYS A 9 -10.699 -0.515 0.626 0.00 0.00 -0.300 N ATOM 52 H CYS A 9 -11.040 0.382 0.294 0.00 0.00 +0.150 HD ATOM 53 O VAL A 8 -9.304 -2.262 0.146 0.00 0.00 -0.274 OA BRANCH 51 54 ATOM 54 CA CYS A 9 -11.666 -1.340 1.358 0.00 0.00 +0.191 C BRANCH 54 55 ATOM 55 C CYS A 9 -12.702 -1.920 0.393 0.00 0.00 +0.326 C ATOM 56 O CYS A 9 -12.835 -1.650 -0.791 0.00 0.00 -0.249 OA BRANCH 55 57 ATOM 57 OXT CYS A 9 -13.511 -2.831 0.974 0.00 0.00 -0.479 OA ATOM 58 HXT CYS A 9 -14.096 -3.128 0.243 0.00 0.00 +0.295 HD ENDBRANCH 55 57 ENDBRANCH 54 55 BRANCH 54 59 ATOM 59 CB CYS A 9 -12.339 -0.556 2.489 0.00 0.00 +0.099 C BRANCH 59 60 ATOM 60 SG CYS A 9 -13.128 0.997 1.932 0.00 0.00 -0.176 S ATOM 61 HG CYS A 9 -13.539 1.403 3.144 0.00 0.00 +0.102 HD ENDBRANCH 59 60 ENDBRANCH 54 59 ENDBRANCH 51 54 ENDBRANCH 49 50 BRANCH 49 63 ATOM 62 CG1 VAL A 8 -9.347 -1.366 -2.992 0.00 0.00 +0.009 C ATOM 63 CB VAL A 8 -9.210 -0.003 -2.308 0.00 0.00 +0.012 C ATOM 64 CG2 VAL A 8 -10.510 0.791 -2.460 0.00 0.00 +0.009 C ENDBRANCH 49 63 ENDBRANCH 45 49 ENDBRANCH 44 47 BRANCH 44 65 ATOM 65 CB ASP A 7 -5.238 -1.602 1.549 0.00 0.00 +0.152 C BRANCH 65 66 ATOM 66 CG ASP A 7 -6.538 -2.341 1.649 0.00 0.00 +0.307 C ATOM 67 OD1 ASP A 7 -7.278 -2.345 2.618 0.00 0.00 -0.251 OA BRANCH 66 68 ATOM 68 OD2 ASP A 7 -6.852 -3.006 0.520 0.00 0.00 -0.481 OA ATOM 69 HD2 ASP A 7 -7.810 -3.242 0.640 0.00 0.00 +0.295 HD ENDBRANCH 66 68 ENDBRANCH 65 66 ENDBRANCH 44 65 ENDBRANCH 40 44 ENDBRANCH 38 42 ENDBRANCH 34 38 ENDBRANCH 1 36 BRANCH 1 70 ATOM 70 CB GLU A 5 2.007 -0.691 2.048 0.00 0.00 +0.043 C BRANCH 70 71 ATOM 71 CG GLU A 5 3.383 -1.295 2.339 0.00 0.00 +0.123 C BRANCH 71 72 ATOM 72 CD GLU A 5 4.081 -1.795 1.104 0.00 0.00 +0.305 C ATOM 73 OE1 GLU A 5 3.553 -2.172 0.071 0.00 0.00 -0.251 OA BRANCH 72 74 ATOM 74 OE2 GLU A 5 5.417 -1.804 1.259 0.00 0.00 -0.481 OA ATOM 75 HE2 GLU A 5 5.793 -2.067 0.386 0.00 0.00 +0.295 HD ENDBRANCH 72 74 ENDBRANCH 71 72 ENDBRANCH 70 71 ENDBRANCH 1 70 TORSDOF 35