REMARK Name = BDB052439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C GLN A 5 0.967 -0.307 -1.372 0.00 0.00 +0.256 C ATOM 2 N THR A 6 0.161 -0.628 -0.318 0.00 0.00 -0.201 NA ATOM 3 O GLN A 5 0.627 0.420 -2.319 0.00 0.00 -0.272 OA ENDROOT BRANCH 2 4 ATOM 4 CA THR A 6 -1.153 -1.542 -0.632 0.00 0.00 +0.217 C BRANCH 4 5 ATOM 5 C THR A 6 -2.574 -0.720 -0.298 0.00 0.00 +0.258 C ATOM 6 N ALA A 7 -3.709 -1.298 -0.820 0.00 0.00 -0.203 NA ATOM 7 O THR A 6 -2.565 0.338 0.346 0.00 0.00 -0.272 OA BRANCH 6 8 ATOM 8 CA ALA A 7 -4.920 -0.400 -1.038 0.00 0.00 +0.193 C ATOM 9 CB ALA A 7 -5.039 -0.204 -2.653 0.00 0.00 +0.027 C BRANCH 8 10 ATOM 10 C ALA A 7 -6.389 -0.875 -0.355 0.00 0.00 +0.255 C ATOM 11 N ARG A 8 -7.533 -0.430 -1.004 0.00 0.00 -0.203 NA ATOM 12 O ALA A 7 -6.415 -1.494 0.718 0.00 0.00 -0.272 OA BRANCH 11 13 ATOM 13 CA ARG A 8 -8.808 -0.357 -0.178 0.00 0.00 +0.193 C BRANCH 13 14 ATOM 14 C ARG A 8 -10.229 -0.650 -0.948 0.00 0.00 +0.255 C ATOM 15 N LYS A 9 -11.327 -0.156 -0.282 0.00 0.00 -0.203 NA ATOM 16 O ARG A 8 -10.280 -1.331 -1.979 0.00 0.00 -0.272 OA BRANCH 15 17 ATOM 17 CA LYS A 9 -12.652 -0.812 -0.541 0.00 0.00 +0.192 C BRANCH 17 18 ATOM 18 C LYS A 9 -13.892 0.209 -0.688 0.00 0.00 +0.256 C ATOM 19 N UNK A 10 -15.032 -0.115 -0.008 0.00 0.00 -0.200 NA ATOM 20 O LYS A 9 -13.818 1.202 -1.421 0.00 0.00 -0.272 OA BRANCH 19 21 ATOM 21 C UNK A 10 -16.152 -0.555 -0.886 0.00 0.00 +0.227 C BRANCH 21 22 ATOM 22 C UNK A 10 -16.487 0.429 -2.027 0.00 0.00 +0.277 C ATOM 23 O UNK A 10 -17.189 1.441 -2.001 0.00 0.00 -0.270 OA ATOM 24 N UNK A 10 -16.044 0.042 -3.390 0.00 0.00 -0.087 NA ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C UNK A 10 -17.422 -0.908 -0.118 0.00 0.00 +0.207 C ATOM 26 O UNK A 10 -18.667 -1.280 0.493 0.00 0.00 -0.218 OA ENDBRANCH 21 25 ENDBRANCH 19 21 ENDBRANCH 17 18 BRANCH 17 27 ATOM 27 CB LYS A 9 -12.867 -1.795 0.553 0.00 0.00 +0.025 C BRANCH 27 28 ATOM 28 CG LYS A 9 -13.108 -2.817 1.681 0.00 0.00 +0.003 C BRANCH 28 29 ATOM 29 CD LYS A 9 -13.355 -3.843 2.799 0.00 0.00 +0.021 C BRANCH 29 30 ATOM 30 CE LYS A 9 -13.558 -4.908 3.892 0.00 0.00 +0.109 C ATOM 31 NZ LYS A 9 -13.713 -5.947 4.911 0.00 0.00 -0.131 NA ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 17 27 ENDBRANCH 15 17 ENDBRANCH 13 14 BRANCH 13 32 ATOM 32 CB ARG A 8 -8.861 0.999 0.429 0.00 0.00 +0.027 C BRANCH 32 33 ATOM 33 CG ARG A 8 -9.139 2.393 1.010 0.00 0.00 +0.028 C BRANCH 33 34 ATOM 34 CD ARG A 8 -9.636 3.770 1.486 0.00 0.00 +0.129 C BRANCH 34 35 ATOM 35 NE ARG A 8 -10.196 4.949 1.810 0.00 0.00 -0.234 NA ATOM 36 CZ ARG A 8 -11.231 5.291 1.113 0.00 0.00 +0.284 C ATOM 37 NH2 ARG A 8 -11.874 6.564 1.466 0.00 0.00 -0.104 NA ATOM 38 NH1 ARG A 8 -11.797 4.545 -0.006 0.00 0.00 -0.104 NA ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 13 32 ENDBRANCH 11 13 ENDBRANCH 8 10 ENDBRANCH 6 8 ENDBRANCH 4 5 BRANCH 4 39 ATOM 39 CB THR A 6 -0.901 -2.961 0.141 0.00 0.00 +0.196 C ATOM 40 OG1 THR A 6 -0.814 -4.027 -0.675 0.00 0.00 -0.228 OA ATOM 41 CG2 THR A 6 -1.909 -3.424 1.284 0.00 0.00 +0.030 C ENDBRANCH 4 39 ENDBRANCH 2 4 BRANCH 1 42 ATOM 42 CA GLN A 5 2.492 -0.837 -1.358 0.00 0.00 +0.193 C BRANCH 42 44 ATOM 43 C LYS A 4 4.813 -0.013 -1.323 0.00 0.00 +0.254 C ATOM 44 N GLN A 5 3.581 0.016 -0.726 0.00 0.00 -0.203 NA ATOM 45 O LYS A 4 5.092 -0.522 -2.417 0.00 0.00 -0.272 OA BRANCH 43 46 ATOM 46 CA LYS A 4 5.990 0.627 -0.410 0.00 0.00 +0.172 C BRANCH 46 48 ATOM 47 C THR A 3 8.527 0.611 -0.168 0.00 0.00 +0.242 C ATOM 48 N LYS A 4 7.377 0.833 -1.026 0.00 0.00 -0.275 N ATOM 49 C ACE A 0 7.386 1.583 -2.356 0.00 0.00 +0.115 C ATOM 50 O THR A 3 8.387 0.208 1.000 0.00 0.00 -0.273 OA BRANCH 47 51 ATOM 51 CA THR A 3 9.969 0.898 -0.802 0.00 0.00 +0.215 C BRANCH 51 53 ATOM 52 C ARG A 2 11.557 2.546 0.062 0.00 0.00 +0.256 C ATOM 53 N THR A 3 10.999 1.332 0.268 0.00 0.00 -0.201 NA ATOM 54 O ARG A 2 10.941 3.588 -0.198 0.00 0.00 -0.272 OA BRANCH 52 55 ATOM 55 CA ARG A 2 13.133 2.594 0.214 0.00 0.00 +0.193 C BRANCH 55 57 ATOM 56 C ALA A 1 14.756 3.249 1.864 0.00 0.00 +0.253 C ATOM 57 N ARG A 2 13.529 3.469 1.366 0.00 0.00 -0.203 NA ATOM 58 O ALA A 1 15.800 3.785 1.470 0.00 0.00 -0.272 OA BRANCH 56 60 ATOM 59 CB ALA A 1 15.040 3.022 4.487 0.00 0.00 +0.024 C ATOM 60 CA ALA A 1 14.704 2.284 3.092 0.00 0.00 +0.188 C ATOM 61 N ALA A 1 15.766 1.278 2.918 0.00 0.00 -0.129 NA ENDBRANCH 56 60 ENDBRANCH 55 57 BRANCH 55 62 ATOM 62 CB ARG A 2 13.773 1.260 0.237 0.00 0.00 +0.027 C BRANCH 62 63 ATOM 63 CG ARG A 2 14.327 -0.171 0.141 0.00 0.00 +0.028 C BRANCH 63 64 ATOM 64 CD ARG A 2 14.767 -1.640 -0.025 0.00 0.00 +0.129 C BRANCH 64 65 ATOM 65 NE ARG A 2 15.073 -2.942 -0.170 0.00 0.00 -0.234 NA ATOM 66 CZ ARG A 2 14.259 -3.783 0.378 0.00 0.00 +0.284 C ATOM 67 NH2 ARG A 2 14.568 -5.207 0.198 0.00 0.00 -0.104 NA ATOM 68 NH1 ARG A 2 13.124 -3.441 1.227 0.00 0.00 -0.104 NA ENDBRANCH 64 65 ENDBRANCH 63 64 ENDBRANCH 62 63 ENDBRANCH 55 62 ENDBRANCH 52 55 ENDBRANCH 51 53 BRANCH 51 69 ATOM 69 CB THR A 3 10.364 -0.366 -1.714 0.00 0.00 +0.196 C ATOM 70 OG1 THR A 3 10.797 -1.430 -1.044 0.00 0.00 -0.228 OA ATOM 71 CG2 THR A 3 11.526 -0.052 -2.766 0.00 0.00 +0.030 C ENDBRANCH 51 69 ENDBRANCH 47 51 ENDBRANCH 46 48 BRANCH 46 72 ATOM 72 CB LYS A 4 5.555 1.922 0.192 0.00 0.00 +0.023 C BRANCH 72 73 ATOM 73 CG LYS A 4 5.070 3.270 0.759 0.00 0.00 +0.003 C BRANCH 73 74 ATOM 74 CD LYS A 4 4.543 4.623 1.257 0.00 0.00 +0.021 C BRANCH 74 75 ATOM 75 CE LYS A 4 4.005 5.992 1.720 0.00 0.00 +0.109 C ATOM 76 NZ LYS A 4 3.494 7.303 2.110 0.00 0.00 -0.131 NA ENDBRANCH 74 75 ENDBRANCH 73 74 ENDBRANCH 72 73 ENDBRANCH 46 72 ENDBRANCH 43 46 ENDBRANCH 42 44 BRANCH 42 77 ATOM 77 CB GLN A 5 2.595 -2.211 -0.815 0.00 0.00 +0.035 C BRANCH 77 78 ATOM 78 CG GLN A 5 2.574 -3.652 -0.269 0.00 0.00 +0.090 C BRANCH 78 79 ATOM 79 CD GLN A 5 2.436 -4.962 0.291 0.00 0.00 +0.261 C ATOM 80 OE1 GLN A 5 2.970 -5.966 -0.179 0.00 0.00 -0.272 OA ATOM 81 NE2 GLN A 5 1.808 -5.106 1.604 0.00 0.00 -0.088 NA ENDBRANCH 78 79 ENDBRANCH 77 78 ENDBRANCH 42 77 ENDBRANCH 1 42 TORSDOF 41