USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 20 THR OG1 : rot -36:sc= 0.7 USER MOD Set 1.2: B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot -31:sc= 0.82 USER MOD Set 2.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.0526 (180deg=-0.449) USER MOD Single : A 12 MET CE :methyl -173:sc= -0.249 (180deg=-0.352) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -158:sc= -0.149 (180deg=-0.914) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -0.0409 (180deg=-0.437) USER MOD Single : B 12 MET CE :methyl -174:sc= -0.275 (180deg=-0.357) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl -154:sc= -0.124 (180deg=-0.843) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 4.322 0.071 -3.066 1.00 0.00 N ATOM 2 CA LYS A 5 4.899 1.434 -3.234 1.00 0.00 C ATOM 3 C LYS A 5 6.068 1.606 -2.272 1.00 0.00 C ATOM 4 O LYS A 5 5.935 1.387 -1.068 1.00 0.00 O ATOM 5 CB LYS A 5 3.820 2.480 -2.948 1.00 0.00 C ATOM 6 CG LYS A 5 4.272 3.844 -3.473 1.00 0.00 C ATOM 7 CD LYS A 5 3.141 4.861 -3.298 1.00 0.00 C ATOM 8 CE LYS A 5 3.591 6.225 -3.827 1.00 0.00 C ATOM 9 NZ LYS A 5 3.802 6.144 -5.300 1.00 0.00 N ATOM 0 HA LYS A 5 5.256 1.564 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.883 2.189 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.630 2.537 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.160 4.176 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.547 3.767 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.252 4.527 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.869 4.940 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.840 6.981 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.513 6.532 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.823 7.103 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.705 5.667 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.025 5.605 -5.733 1.00 0.00 H new ATOM 22 N GLY A 6 7.218 1.994 -2.814 1.00 0.00 N ATOM 23 CA GLY A 6 8.410 2.185 -1.998 1.00 0.00 C ATOM 24 C GLY A 6 8.205 3.297 -0.981 1.00 0.00 C ATOM 25 O GLY A 6 8.854 3.327 0.063 1.00 0.00 O ATOM 0 H GLY A 6 7.349 2.181 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.654 1.256 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.258 2.426 -2.639 1.00 0.00 H new ATOM 29 N ALA A 7 7.300 4.210 -1.290 1.00 0.00 N ATOM 30 CA ALA A 7 7.022 5.314 -0.388 1.00 0.00 C ATOM 31 C ALA A 7 6.455 4.792 0.928 1.00 0.00 C ATOM 32 O ALA A 7 6.744 5.333 1.995 1.00 0.00 O ATOM 33 CB ALA A 7 6.023 6.277 -1.030 1.00 0.00 C ATOM 0 H ALA A 7 6.750 4.210 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 7 7.954 5.842 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.821 7.101 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.440 6.669 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.094 5.748 -1.245 1.00 0.00 H new ATOM 39 N ILE A 8 5.639 3.742 0.847 1.00 0.00 N ATOM 40 CA ILE A 8 5.034 3.170 2.051 1.00 0.00 C ATOM 41 C ILE A 8 6.090 2.565 2.974 1.00 0.00 C ATOM 42 O ILE A 8 6.151 2.898 4.157 1.00 0.00 O ATOM 43 CB ILE A 8 4.016 2.096 1.659 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.842 2.758 0.930 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.497 1.389 2.915 1.00 0.00 C ATOM 46 CD1 ILE A 8 2.003 1.687 0.230 1.00 0.00 C ATOM 0 H ILE A 8 5.384 3.276 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 8 4.534 3.974 2.591 1.00 0.00 H new ATOM 0 HB ILE A 8 4.494 1.365 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.226 3.311 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.213 3.478 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.773 0.626 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.330 0.921 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.018 2.117 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.168 2.160 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.622 1.153 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.620 0.984 0.970 1.00 0.00 H new ATOM 58 N ILE A 9 6.919 1.675 2.433 1.00 0.00 N ATOM 59 CA ILE A 9 7.955 1.043 3.239 1.00 0.00 C ATOM 60 C ILE A 9 9.047 2.053 3.578 1.00 0.00 C ATOM 61 O ILE A 9 9.539 2.100 4.703 1.00 0.00 O ATOM 62 CB ILE A 9 8.549 -0.163 2.490 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.365 -1.043 3.465 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.457 0.330 1.361 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.443 -2.044 4.177 1.00 0.00 C ATOM 0 H ILE A 9 6.894 1.380 1.457 1.00 0.00 H new ATOM 0 HA ILE A 9 7.511 0.688 4.169 1.00 0.00 H new ATOM 0 HB ILE A 9 7.736 -0.756 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.142 -1.578 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.867 -0.414 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.877 -0.525 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.877 0.937 0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.265 0.930 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.030 -2.657 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.682 -1.502 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.961 -2.684 3.438 1.00 0.00 H new ATOM 77 N GLY A 10 9.418 2.857 2.589 1.00 0.00 N ATOM 78 CA GLY A 10 10.456 3.866 2.778 1.00 0.00 C ATOM 79 C GLY A 10 10.332 4.529 4.148 1.00 0.00 C ATOM 80 O GLY A 10 11.317 4.662 4.874 1.00 0.00 O ATOM 0 H GLY A 10 9.018 2.831 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.439 3.404 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.380 4.622 1.996 1.00 0.00 H new ATOM 84 N LEU A 11 9.112 4.923 4.502 1.00 0.00 N ATOM 85 CA LEU A 11 8.868 5.541 5.791 1.00 0.00 C ATOM 86 C LEU A 11 8.954 4.505 6.912 1.00 0.00 C ATOM 87 O LEU A 11 9.465 4.789 7.990 1.00 0.00 O ATOM 88 CB LEU A 11 7.494 6.221 5.791 1.00 0.00 C ATOM 89 CG LEU A 11 7.200 6.829 7.169 1.00 0.00 C ATOM 90 CD1 LEU A 11 8.320 7.801 7.580 1.00 0.00 C ATOM 91 CD2 LEU A 11 5.865 7.579 7.111 1.00 0.00 C ATOM 0 H LEU A 11 8.284 4.824 3.914 1.00 0.00 H new ATOM 0 HA LEU A 11 9.635 6.295 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.466 7.000 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.722 5.496 5.534 1.00 0.00 H new ATOM 0 HG LEU A 11 7.147 6.029 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.095 8.223 8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.268 7.265 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.392 8.605 6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.649 8.014 8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.925 8.372 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.069 6.885 6.839 1.00 0.00 H new ATOM 103 N MET A 12 8.431 3.307 6.655 1.00 0.00 N ATOM 104 CA MET A 12 8.434 2.242 7.638 1.00 0.00 C ATOM 105 C MET A 12 9.824 2.020 8.214 1.00 0.00 C ATOM 106 O MET A 12 10.032 2.124 9.422 1.00 0.00 O ATOM 107 CB MET A 12 7.954 0.971 6.944 1.00 0.00 C ATOM 108 CG MET A 12 7.600 -0.104 7.959 1.00 0.00 C ATOM 109 SD MET A 12 9.110 -0.899 8.575 1.00 0.00 S ATOM 110 CE MET A 12 8.844 -0.625 10.349 1.00 0.00 C ATOM 0 H MET A 12 7.999 3.056 5.766 1.00 0.00 H new ATOM 0 HA MET A 12 7.778 2.510 8.466 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.083 1.195 6.328 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.731 0.602 6.275 1.00 0.00 H new ATOM 0 HG2 MET A 12 7.047 0.336 8.789 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.949 -0.848 7.500 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.731 -0.935 10.902 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.655 0.433 10.529 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.986 -1.209 10.683 1.00 0.00 H new ATOM 120 N VAL A 13 10.767 1.702 7.345 1.00 0.00 N ATOM 121 CA VAL A 13 12.132 1.453 7.775 1.00 0.00 C ATOM 122 C VAL A 13 12.772 2.721 8.324 1.00 0.00 C ATOM 123 O VAL A 13 13.723 2.655 9.099 1.00 0.00 O ATOM 124 CB VAL A 13 12.954 0.896 6.617 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.440 -0.506 6.281 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.802 1.805 5.393 1.00 0.00 C ATOM 0 H VAL A 13 10.614 1.610 6.341 1.00 0.00 H new ATOM 0 HA VAL A 13 12.110 0.715 8.577 1.00 0.00 H new ATOM 0 HB VAL A 13 14.006 0.850 6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.019 -0.917 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.545 -1.151 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.389 -0.450 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.390 1.405 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.753 1.851 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.155 2.807 5.638 1.00 0.00 H new ATOM 136 N GLY A 14 12.246 3.878 7.936 1.00 0.00 N ATOM 137 CA GLY A 14 12.783 5.138 8.428 1.00 0.00 C ATOM 138 C GLY A 14 12.344 5.387 9.871 1.00 0.00 C ATOM 139 O GLY A 14 13.147 5.790 10.712 1.00 0.00 O ATOM 0 H GLY A 14 11.460 3.968 7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.871 5.122 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.443 5.956 7.793 1.00 0.00 H new ATOM 143 N GLY A 15 11.058 5.162 10.143 1.00 0.00 N ATOM 144 CA GLY A 15 10.528 5.387 11.479 1.00 0.00 C ATOM 145 C GLY A 15 11.358 4.650 12.517 1.00 0.00 C ATOM 146 O GLY A 15 11.826 5.246 13.480 1.00 0.00 O ATOM 0 H GLY A 15 10.375 4.828 9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.525 6.454 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.493 5.049 11.527 1.00 0.00 H new ATOM 150 N VAL A 16 11.528 3.351 12.323 1.00 0.00 N ATOM 151 CA VAL A 16 12.297 2.560 13.274 1.00 0.00 C ATOM 152 C VAL A 16 13.620 3.255 13.590 1.00 0.00 C ATOM 153 O VAL A 16 13.960 3.446 14.757 1.00 0.00 O ATOM 154 CB VAL A 16 12.540 1.143 12.736 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.247 0.330 12.839 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.979 1.203 11.273 1.00 0.00 C ATOM 0 H VAL A 16 11.152 2.829 11.531 1.00 0.00 H new ATOM 0 HA VAL A 16 11.722 2.473 14.196 1.00 0.00 H new ATOM 0 HB VAL A 16 13.324 0.670 13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.419 -0.676 12.457 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.934 0.274 13.882 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.466 0.813 12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.148 0.192 10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.201 1.682 10.679 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.902 1.778 11.193 1.00 0.00 H new ATOM 166 N VAL A 17 14.363 3.626 12.559 1.00 0.00 N ATOM 167 CA VAL A 17 15.648 4.288 12.765 1.00 0.00 C ATOM 168 C VAL A 17 15.478 5.587 13.559 1.00 0.00 C ATOM 169 O VAL A 17 16.240 5.859 14.482 1.00 0.00 O ATOM 170 CB VAL A 17 16.302 4.606 11.420 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.590 5.398 11.657 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.636 3.304 10.686 1.00 0.00 C ATOM 0 H VAL A 17 14.106 3.484 11.582 1.00 0.00 H new ATOM 0 HA VAL A 17 16.284 3.608 13.332 1.00 0.00 H new ATOM 0 HB VAL A 17 15.613 5.195 10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 17 18.058 5.626 10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.355 6.327 12.177 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.275 4.806 12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.102 3.536 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.323 2.712 11.290 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.721 2.737 10.517 1.00 0.00 H new ATOM 182 N ILE A 18 14.483 6.388 13.198 1.00 0.00 N ATOM 183 CA ILE A 18 14.262 7.646 13.912 1.00 0.00 C ATOM 184 C ILE A 18 13.934 7.343 15.373 1.00 0.00 C ATOM 185 O ILE A 18 14.473 7.955 16.293 1.00 0.00 O ATOM 186 CB ILE A 18 13.112 8.422 13.263 1.00 0.00 C ATOM 187 CG1 ILE A 18 13.535 8.876 11.865 1.00 0.00 C ATOM 188 CG2 ILE A 18 12.781 9.650 14.113 1.00 0.00 C ATOM 189 CD1 ILE A 18 12.311 9.388 11.104 1.00 0.00 C ATOM 0 H ILE A 18 13.831 6.200 12.437 1.00 0.00 H new ATOM 0 HA ILE A 18 15.164 8.256 13.863 1.00 0.00 H new ATOM 0 HB ILE A 18 12.234 7.780 13.192 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.286 9.662 11.938 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.992 8.047 11.325 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.963 10.202 13.651 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.485 9.332 15.113 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.659 10.292 14.182 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.611 9.712 10.108 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.575 8.589 11.019 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.873 10.229 11.642 1.00 0.00 H new ATOM 201 N ALA A 19 13.033 6.395 15.555 1.00 0.00 N ATOM 202 CA ALA A 19 12.604 5.992 16.888 1.00 0.00 C ATOM 203 C ALA A 19 13.809 5.570 17.726 1.00 0.00 C ATOM 204 O ALA A 19 13.879 5.866 18.917 1.00 0.00 O ATOM 205 CB ALA A 19 11.614 4.831 16.792 1.00 0.00 C ATOM 0 H ALA A 19 12.581 5.886 14.795 1.00 0.00 H new ATOM 0 HA ALA A 19 12.117 6.841 17.368 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.299 4.537 17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.743 5.142 16.215 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.092 3.985 16.299 1.00 0.00 H new ATOM 211 N THR A 20 14.754 4.879 17.097 1.00 0.00 N ATOM 212 CA THR A 20 15.951 4.420 17.801 1.00 0.00 C ATOM 213 C THR A 20 16.824 5.591 18.221 1.00 0.00 C ATOM 214 O THR A 20 17.655 5.456 19.110 1.00 0.00 O ATOM 215 CB THR A 20 16.781 3.494 16.899 1.00 0.00 C ATOM 216 OG1 THR A 20 17.291 4.247 15.808 1.00 0.00 O ATOM 217 CG2 THR A 20 15.922 2.333 16.351 1.00 0.00 C ATOM 0 H THR A 20 14.718 4.625 16.110 1.00 0.00 H new ATOM 0 HA THR A 20 15.619 3.881 18.688 1.00 0.00 H new ATOM 0 HB THR A 20 17.594 3.073 17.490 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.666 4.969 15.589 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.536 1.694 15.716 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.528 1.748 17.182 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.094 2.737 15.768 1.00 0.00 H new ATOM 225 N MET A 21 16.652 6.727 17.557 1.00 0.00 N ATOM 226 CA MET A 21 17.453 7.909 17.862 1.00 0.00 C ATOM 227 C MET A 21 16.872 8.706 19.022 1.00 0.00 C ATOM 228 O MET A 21 17.622 9.233 19.844 1.00 0.00 O ATOM 229 CB MET A 21 17.553 8.814 16.630 1.00 0.00 C ATOM 230 CG MET A 21 18.393 8.135 15.544 1.00 0.00 C ATOM 231 SD MET A 21 20.116 7.993 16.097 1.00 0.00 S ATOM 232 CE MET A 21 20.224 6.184 16.134 1.00 0.00 C ATOM 0 H MET A 21 15.971 6.856 16.809 1.00 0.00 H new ATOM 0 HA MET A 21 18.445 7.560 18.150 1.00 0.00 H new ATOM 0 HB2 MET A 21 16.556 9.031 16.247 1.00 0.00 H new ATOM 0 HB3 MET A 21 18.003 9.768 16.905 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.989 7.147 15.324 1.00 0.00 H new ATOM 0 HG3 MET A 21 18.344 8.712 14.620 1.00 0.00 H new ATOM 0 HE1 MET A 21 21.222 5.886 16.455 1.00 0.00 H new ATOM 0 HE2 MET A 21 19.486 5.790 16.832 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.029 5.787 15.138 1.00 0.00 H new ATOM 242 N ILE A 22 15.546 8.816 19.098 1.00 0.00 N ATOM 243 CA ILE A 22 14.931 9.576 20.179 1.00 0.00 C ATOM 244 C ILE A 22 15.093 8.872 21.521 1.00 0.00 C ATOM 245 O ILE A 22 15.401 9.505 22.525 1.00 0.00 O ATOM 246 CB ILE A 22 13.444 9.776 19.890 1.00 0.00 C ATOM 247 CG1 ILE A 22 13.285 10.665 18.654 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.774 10.457 21.093 1.00 0.00 C ATOM 249 CD1 ILE A 22 11.838 10.601 18.165 1.00 0.00 C ATOM 0 H ILE A 22 14.891 8.397 18.438 1.00 0.00 H new ATOM 0 HA ILE A 22 15.435 10.541 20.236 1.00 0.00 H new ATOM 0 HB ILE A 22 12.975 8.809 19.711 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.554 11.693 18.895 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.962 10.335 17.866 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.713 10.599 20.886 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.890 9.830 21.977 1.00 0.00 H new ATOM 0 HG23 ILE A 22 13.242 11.425 21.270 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.723 11.234 17.285 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.586 9.572 17.908 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.172 10.952 18.953 1.00 0.00 H new ATOM 261 N VAL A 23 14.848 7.568 21.550 1.00 0.00 N ATOM 262 CA VAL A 23 14.932 6.817 22.794 1.00 0.00 C ATOM 263 C VAL A 23 16.260 7.062 23.491 1.00 0.00 C ATOM 264 O VAL A 23 16.318 7.159 24.713 1.00 0.00 O ATOM 265 CB VAL A 23 14.783 5.329 22.490 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.429 5.072 21.793 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.948 4.878 21.585 1.00 0.00 C ATOM 0 H VAL A 23 14.592 7.013 20.733 1.00 0.00 H new ATOM 0 HA VAL A 23 14.132 7.149 23.456 1.00 0.00 H new ATOM 0 HB VAL A 23 14.809 4.758 23.418 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.327 4.008 21.578 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.617 5.390 22.447 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.386 5.636 20.862 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.847 3.815 21.364 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.927 5.445 20.655 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.895 5.054 22.096 1.00 0.00 H new ATOM 277 N ILE A 24 17.328 7.172 22.717 1.00 0.00 N ATOM 278 CA ILE A 24 18.641 7.421 23.315 1.00 0.00 C ATOM 279 C ILE A 24 18.533 8.569 24.318 1.00 0.00 C ATOM 280 O ILE A 24 19.038 8.476 25.438 1.00 0.00 O ATOM 281 CB ILE A 24 19.653 7.799 22.233 1.00 0.00 C ATOM 282 CG1 ILE A 24 19.652 6.735 21.133 1.00 0.00 C ATOM 283 CG2 ILE A 24 21.051 7.917 22.840 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.895 5.336 21.725 1.00 0.00 C ATOM 0 H ILE A 24 17.321 7.096 21.700 1.00 0.00 H new ATOM 0 HA ILE A 24 18.976 6.514 23.818 1.00 0.00 H new ATOM 0 HB ILE A 24 19.373 8.761 21.804 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.698 6.751 20.606 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.425 6.963 20.399 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.764 8.187 22.061 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.049 8.686 23.612 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.338 6.962 23.280 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.890 4.596 20.924 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.861 5.317 22.230 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.107 5.102 22.440 1.00 0.00 H new ATOM 296 N THR A 25 17.859 9.642 23.915 1.00 0.00 N ATOM 297 CA THR A 25 17.681 10.789 24.808 1.00 0.00 C ATOM 298 C THR A 25 16.925 10.337 26.063 1.00 0.00 C ATOM 299 O THR A 25 17.362 10.574 27.188 1.00 0.00 O ATOM 300 CB THR A 25 16.907 11.904 24.072 1.00 0.00 C ATOM 301 OG1 THR A 25 17.793 12.605 23.210 1.00 0.00 O ATOM 302 CG2 THR A 25 16.282 12.889 25.067 1.00 0.00 C ATOM 0 H THR A 25 17.433 9.744 22.994 1.00 0.00 H new ATOM 0 HA THR A 25 18.652 11.185 25.106 1.00 0.00 H new ATOM 0 HB THR A 25 16.107 11.443 23.493 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.302 13.312 22.741 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.743 13.664 24.522 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.590 12.357 25.720 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.068 13.348 25.667 1.00 0.00 H new ATOM 310 N LEU A 26 15.788 9.689 25.847 1.00 0.00 N ATOM 311 CA LEU A 26 14.960 9.201 26.949 1.00 0.00 C ATOM 312 C LEU A 26 15.810 8.391 27.923 1.00 0.00 C ATOM 313 O LEU A 26 15.687 8.528 29.139 1.00 0.00 O ATOM 314 CB LEU A 26 13.826 8.344 26.369 1.00 0.00 C ATOM 315 CG LEU A 26 12.997 7.638 27.471 1.00 0.00 C ATOM 316 CD1 LEU A 26 13.758 6.431 28.077 1.00 0.00 C ATOM 317 CD2 LEU A 26 12.610 8.642 28.575 1.00 0.00 C ATOM 0 H LEU A 26 15.415 9.488 24.919 1.00 0.00 H new ATOM 0 HA LEU A 26 14.532 10.041 27.497 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.168 8.974 25.770 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.247 7.595 25.698 1.00 0.00 H new ATOM 0 HG LEU A 26 12.089 7.253 27.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.144 5.962 28.846 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.973 5.706 27.292 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.693 6.775 28.519 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.028 8.132 29.343 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.513 9.058 29.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.015 9.446 28.143 1.00 0.00 H new ATOM 329 N VAL A 27 16.703 7.578 27.391 1.00 0.00 N ATOM 330 CA VAL A 27 17.581 6.797 28.247 1.00 0.00 C ATOM 331 C VAL A 27 18.511 7.743 29.003 1.00 0.00 C ATOM 332 O VAL A 27 18.443 7.855 30.225 1.00 0.00 O ATOM 333 CB VAL A 27 18.396 5.810 27.414 1.00 0.00 C ATOM 334 CG1 VAL A 27 19.348 5.034 28.328 1.00 0.00 C ATOM 335 CG2 VAL A 27 17.441 4.834 26.718 1.00 0.00 C ATOM 0 H VAL A 27 16.840 7.441 26.390 1.00 0.00 H new ATOM 0 HA VAL A 27 16.981 6.229 28.958 1.00 0.00 H new ATOM 0 HB VAL A 27 18.977 6.350 26.666 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.930 4.330 27.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.022 5.731 28.827 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.771 4.489 29.075 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.016 4.126 26.121 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.864 4.292 27.468 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.763 5.389 26.070 1.00 0.00 H new ATOM 345 N MET A 28 19.377 8.420 28.262 1.00 0.00 N ATOM 346 CA MET A 28 20.323 9.357 28.860 1.00 0.00 C ATOM 347 C MET A 28 19.617 10.303 29.829 1.00 0.00 C ATOM 348 O MET A 28 20.231 10.802 30.772 1.00 0.00 O ATOM 349 CB MET A 28 21.020 10.169 27.762 1.00 0.00 C ATOM 350 CG MET A 28 21.860 9.240 26.875 1.00 0.00 C ATOM 351 SD MET A 28 23.179 8.465 27.850 1.00 0.00 S ATOM 352 CE MET A 28 24.177 9.948 28.139 1.00 0.00 C ATOM 0 H MET A 28 19.446 8.340 27.247 1.00 0.00 H new ATOM 0 HA MET A 28 21.065 8.783 29.416 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.278 10.690 27.157 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.657 10.931 28.211 1.00 0.00 H new ATOM 0 HG2 MET A 28 21.224 8.472 26.435 1.00 0.00 H new ATOM 0 HG3 MET A 28 22.292 9.806 26.050 1.00 0.00 H new ATOM 0 HE1 MET A 28 25.202 9.658 28.370 1.00 0.00 H new ATOM 0 HE2 MET A 28 24.169 10.572 27.245 1.00 0.00 H new ATOM 0 HE3 MET A 28 23.761 10.509 28.976 1.00 0.00 H new ATOM 362 N LEU A 29 18.326 10.533 29.612 1.00 0.00 N ATOM 363 CA LEU A 29 17.564 11.404 30.501 1.00 0.00 C ATOM 364 C LEU A 29 17.325 10.716 31.841 1.00 0.00 C ATOM 365 O LEU A 29 17.179 11.383 32.862 1.00 0.00 O ATOM 366 CB LEU A 29 16.223 11.811 29.861 1.00 0.00 C ATOM 367 CG LEU A 29 16.418 13.010 28.914 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.114 13.253 28.146 1.00 0.00 C ATOM 369 CD2 LEU A 29 16.789 14.283 29.716 1.00 0.00 C ATOM 0 H LEU A 29 17.791 10.135 28.840 1.00 0.00 H new ATOM 0 HA LEU A 29 18.147 12.309 30.670 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.806 10.968 29.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.505 12.068 30.640 1.00 0.00 H new ATOM 0 HG LEU A 29 17.229 12.788 28.220 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.241 14.100 27.472 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.861 12.364 27.568 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.311 13.467 28.851 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.923 15.119 29.030 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.990 14.515 30.420 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.716 14.111 30.263 1.00 0.00 H new ATOM 381 N LYS A 30 17.277 9.386 31.840 1.00 0.00 N ATOM 382 CA LYS A 30 17.047 8.649 33.079 1.00 0.00 C ATOM 383 C LYS A 30 17.918 9.205 34.208 1.00 0.00 C ATOM 384 O LYS A 30 17.686 8.912 35.381 1.00 0.00 O ATOM 385 CB LYS A 30 17.365 7.164 32.889 1.00 0.00 C ATOM 386 CG LYS A 30 16.297 6.511 32.007 1.00 0.00 C ATOM 387 CD LYS A 30 16.648 5.036 31.796 1.00 0.00 C ATOM 388 CE LYS A 30 15.547 4.354 30.981 1.00 0.00 C ATOM 389 NZ LYS A 30 15.902 2.922 30.771 1.00 0.00 N ATOM 0 H LYS A 30 17.392 8.805 31.010 1.00 0.00 H new ATOM 0 HA LYS A 30 15.996 8.764 33.344 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.347 7.049 32.431 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.405 6.665 33.857 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.317 6.600 32.476 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.238 7.024 31.047 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.603 4.950 31.278 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.762 4.538 32.759 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.593 4.431 31.502 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.427 4.855 30.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.155 2.457 30.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.804 2.860 30.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.996 2.449 31.692 1.00 0.00 H new ATOM 403 N LYS A 31 18.916 10.018 33.849 1.00 0.00 N ATOM 404 CA LYS A 31 19.810 10.620 34.844 1.00 0.00 C ATOM 405 C LYS A 31 19.366 12.047 35.159 1.00 0.00 C ATOM 406 O LYS A 31 20.145 12.854 35.666 1.00 0.00 O ATOM 407 CB LYS A 31 21.247 10.644 34.317 1.00 0.00 C ATOM 408 CG LYS A 31 21.782 9.216 34.206 1.00 0.00 C ATOM 409 CD LYS A 31 23.218 9.251 33.682 1.00 0.00 C ATOM 410 CE LYS A 31 23.761 7.825 33.573 1.00 0.00 C ATOM 411 NZ LYS A 31 25.156 7.865 33.053 1.00 0.00 N ATOM 0 H LYS A 31 19.125 10.273 32.884 1.00 0.00 H new ATOM 0 HA LYS A 31 19.767 10.019 35.753 1.00 0.00 H new ATOM 0 HB2 LYS A 31 21.278 11.131 33.342 1.00 0.00 H new ATOM 0 HB3 LYS A 31 21.879 11.228 34.985 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.750 8.727 35.180 1.00 0.00 H new ATOM 0 HG3 LYS A 31 21.153 8.631 33.535 1.00 0.00 H new ATOM 0 HD2 LYS A 31 23.248 9.738 32.707 1.00 0.00 H new ATOM 0 HD3 LYS A 31 23.846 9.839 34.351 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.739 7.340 34.549 1.00 0.00 H new ATOM 0 HE3 LYS A 31 23.130 7.234 32.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 25.527 6.896 32.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 25.164 8.312 32.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 25.753 8.415 33.703 1.00 0.00 H new ATOM 425 N LYS A 32 18.107 12.344 34.856 1.00 0.00 N ATOM 426 CA LYS A 32 17.560 13.672 35.112 1.00 0.00 C ATOM 427 C LYS A 32 18.415 14.742 34.438 1.00 0.00 C ATOM 428 O LYS A 32 18.606 14.650 33.237 1.00 0.00 O ATOM 429 CB LYS A 32 17.502 13.932 36.622 1.00 0.00 C ATOM 430 CG LYS A 32 16.568 15.112 36.913 1.00 0.00 C ATOM 431 CD LYS A 32 16.374 15.263 38.428 1.00 0.00 C ATOM 432 CE LYS A 32 17.669 15.756 39.085 1.00 0.00 C ATOM 433 NZ LYS A 32 17.366 16.280 40.447 1.00 0.00 N ATOM 0 H LYS A 32 17.449 11.688 34.435 1.00 0.00 H new ATOM 0 HA LYS A 32 16.552 13.717 34.699 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.148 13.041 37.140 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.501 14.146 37.002 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.986 16.029 36.498 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.605 14.953 36.428 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.566 15.966 38.629 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.080 14.307 38.861 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.390 14.941 39.149 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.124 16.537 38.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.244 16.615 40.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.692 17.069 40.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.950 15.523 41.026 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -4.961 -0.353 4.301 1.00 0.00 N ATOM 449 CA LYS B 5 -5.062 -1.615 5.087 1.00 0.00 C ATOM 450 C LYS B 5 -4.399 -1.414 6.445 1.00 0.00 C ATOM 451 O LYS B 5 -3.245 -0.995 6.529 1.00 0.00 O ATOM 452 CB LYS B 5 -4.371 -2.744 4.321 1.00 0.00 C ATOM 453 CG LYS B 5 -4.784 -4.094 4.910 1.00 0.00 C ATOM 454 CD LYS B 5 -4.192 -5.224 4.065 1.00 0.00 C ATOM 455 CE LYS B 5 -4.607 -6.575 4.649 1.00 0.00 C ATOM 456 NZ LYS B 5 -6.083 -6.742 4.523 1.00 0.00 N ATOM 0 HA LYS B 5 -6.109 -1.879 5.238 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.641 -2.699 3.266 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.289 -2.627 4.379 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.436 -4.175 5.940 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.871 -4.175 4.934 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.538 -5.140 3.035 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -3.105 -5.144 4.044 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.094 -7.382 4.126 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -4.312 -6.636 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -6.327 -7.749 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -6.559 -6.203 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.394 -6.390 3.595 1.00 0.00 H new ATOM 469 N GLY B 6 -5.140 -1.712 7.506 1.00 0.00 N ATOM 470 CA GLY B 6 -4.620 -1.556 8.858 1.00 0.00 C ATOM 471 C GLY B 6 -3.430 -2.474 9.096 1.00 0.00 C ATOM 472 O GLY B 6 -2.582 -2.203 9.946 1.00 0.00 O ATOM 0 H GLY B 6 -6.097 -2.061 7.457 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.322 -0.520 9.019 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.405 -1.778 9.581 1.00 0.00 H new ATOM 476 N ALA B 7 -3.373 -3.561 8.343 1.00 0.00 N ATOM 477 CA ALA B 7 -2.277 -4.503 8.486 1.00 0.00 C ATOM 478 C ALA B 7 -0.955 -3.838 8.120 1.00 0.00 C ATOM 479 O ALA B 7 0.077 -4.115 8.730 1.00 0.00 O ATOM 480 CB ALA B 7 -2.509 -5.715 7.582 1.00 0.00 C ATOM 0 H ALA B 7 -4.064 -3.810 7.635 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.233 -4.830 9.525 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.683 -6.417 7.695 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.442 -6.205 7.862 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.568 -5.388 6.544 1.00 0.00 H new ATOM 486 N ILE B 8 -0.989 -2.963 7.116 1.00 0.00 N ATOM 487 CA ILE B 8 0.227 -2.277 6.680 1.00 0.00 C ATOM 488 C ILE B 8 0.767 -1.352 7.769 1.00 0.00 C ATOM 489 O ILE B 8 1.935 -1.440 8.143 1.00 0.00 O ATOM 490 CB ILE B 8 -0.059 -1.470 5.410 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.374 -2.434 4.263 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.168 -0.629 5.041 1.00 0.00 C ATOM 493 CD1 ILE B 8 -0.999 -1.659 3.100 1.00 0.00 C ATOM 0 H ILE B 8 -1.831 -2.715 6.596 1.00 0.00 H new ATOM 0 HA ILE B 8 0.984 -3.033 6.473 1.00 0.00 H new ATOM 0 HB ILE B 8 -0.908 -0.810 5.585 1.00 0.00 H new ATOM 0 HG12 ILE B 8 0.537 -2.933 3.933 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.057 -3.211 4.605 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.959 -0.057 4.137 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.399 0.055 5.858 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.020 -1.286 4.866 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -1.223 -2.346 2.284 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.919 -1.180 3.435 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.300 -0.898 2.752 1.00 0.00 H new ATOM 505 N ILE B 9 -0.084 -0.461 8.272 1.00 0.00 N ATOM 506 CA ILE B 9 0.342 0.467 9.312 1.00 0.00 C ATOM 507 C ILE B 9 0.551 -0.276 10.627 1.00 0.00 C ATOM 508 O ILE B 9 1.516 -0.033 11.347 1.00 0.00 O ATOM 509 CB ILE B 9 -0.697 1.588 9.483 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.090 2.754 10.297 1.00 0.00 C ATOM 511 CG2 ILE B 9 -1.929 1.040 10.207 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.670 3.713 9.371 1.00 0.00 C ATOM 0 H ILE B 9 -1.057 -0.363 7.981 1.00 0.00 H new ATOM 0 HA ILE B 9 1.289 0.918 9.016 1.00 0.00 H new ATOM 0 HB ILE B 9 -0.988 1.956 8.499 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -0.881 3.292 10.819 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.585 2.362 11.058 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.664 1.836 10.327 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.364 0.229 9.622 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.637 0.664 11.188 1.00 0.00 H new ATOM 0 HD11 ILE B 9 1.092 4.529 9.959 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.474 3.174 8.869 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.015 4.119 8.626 1.00 0.00 H new ATOM 524 N GLY B 10 -0.370 -1.186 10.930 1.00 0.00 N ATOM 525 CA GLY B 10 -0.291 -1.965 12.161 1.00 0.00 C ATOM 526 C GLY B 10 1.149 -2.368 12.464 1.00 0.00 C ATOM 527 O GLY B 10 1.626 -2.206 13.588 1.00 0.00 O ATOM 0 H GLY B 10 -1.176 -1.401 10.343 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.691 -1.382 12.990 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.910 -2.857 12.071 1.00 0.00 H new ATOM 531 N LEU B 11 1.843 -2.873 11.449 1.00 0.00 N ATOM 532 CA LEU B 11 3.230 -3.268 11.610 1.00 0.00 C ATOM 533 C LEU B 11 4.130 -2.037 11.728 1.00 0.00 C ATOM 534 O LEU B 11 5.080 -2.027 12.503 1.00 0.00 O ATOM 535 CB LEU B 11 3.664 -4.142 10.430 1.00 0.00 C ATOM 536 CG LEU B 11 5.146 -4.516 10.561 1.00 0.00 C ATOM 537 CD1 LEU B 11 5.411 -5.204 11.910 1.00 0.00 C ATOM 538 CD2 LEU B 11 5.527 -5.464 9.418 1.00 0.00 C ATOM 0 H LEU B 11 1.466 -3.016 10.512 1.00 0.00 H new ATOM 0 HA LEU B 11 3.326 -3.846 12.529 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.056 -5.046 10.395 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.498 -3.609 9.494 1.00 0.00 H new ATOM 0 HG LEU B 11 5.748 -3.609 10.510 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.467 -5.462 11.985 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.144 -4.528 12.722 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.810 -6.111 11.980 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.579 -5.734 9.505 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.916 -6.365 9.473 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.357 -4.968 8.462 1.00 0.00 H new ATOM 550 N MET B 12 3.834 -1.007 10.936 1.00 0.00 N ATOM 551 CA MET B 12 4.619 0.211 10.939 1.00 0.00 C ATOM 552 C MET B 12 4.801 0.754 12.348 1.00 0.00 C ATOM 553 O MET B 12 5.925 0.916 12.823 1.00 0.00 O ATOM 554 CB MET B 12 3.883 1.237 10.081 1.00 0.00 C ATOM 555 CG MET B 12 4.782 2.415 9.750 1.00 0.00 C ATOM 556 SD MET B 12 4.890 3.536 11.171 1.00 0.00 S ATOM 557 CE MET B 12 6.696 3.565 11.348 1.00 0.00 C ATOM 0 H MET B 12 3.050 -1.000 10.283 1.00 0.00 H new ATOM 0 HA MET B 12 5.612 0.004 10.541 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.540 0.767 9.160 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.996 1.589 10.609 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.777 2.059 9.481 1.00 0.00 H new ATOM 0 HG3 MET B 12 4.390 2.949 8.884 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.965 4.123 12.245 1.00 0.00 H new ATOM 0 HE2 MET B 12 7.070 2.544 11.430 1.00 0.00 H new ATOM 0 HE3 MET B 12 7.139 4.045 10.476 1.00 0.00 H new ATOM 567 N VAL B 13 3.691 1.044 13.004 1.00 0.00 N ATOM 568 CA VAL B 13 3.736 1.582 14.352 1.00 0.00 C ATOM 569 C VAL B 13 4.293 0.557 15.330 1.00 0.00 C ATOM 570 O VAL B 13 4.793 0.918 16.394 1.00 0.00 O ATOM 571 CB VAL B 13 2.343 2.033 14.783 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.940 3.247 13.945 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.341 0.897 14.558 1.00 0.00 C ATOM 0 H VAL B 13 2.752 0.917 12.627 1.00 0.00 H new ATOM 0 HA VAL B 13 4.402 2.445 14.356 1.00 0.00 H new ATOM 0 HB VAL B 13 2.349 2.296 15.841 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.946 3.580 14.242 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.656 4.053 14.105 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.931 2.974 12.890 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.347 1.222 14.867 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.324 0.631 13.501 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.638 0.028 15.146 1.00 0.00 H new ATOM 583 N GLY B 14 4.221 -0.720 14.971 1.00 0.00 N ATOM 584 CA GLY B 14 4.749 -1.765 15.837 1.00 0.00 C ATOM 585 C GLY B 14 6.276 -1.803 15.772 1.00 0.00 C ATOM 586 O GLY B 14 6.947 -1.908 16.799 1.00 0.00 O ATOM 0 H GLY B 14 3.808 -1.052 14.099 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.428 -1.589 16.864 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.343 -2.731 15.537 1.00 0.00 H new ATOM 590 N GLY B 15 6.818 -1.736 14.555 1.00 0.00 N ATOM 591 CA GLY B 15 8.260 -1.784 14.377 1.00 0.00 C ATOM 592 C GLY B 15 8.944 -0.745 15.251 1.00 0.00 C ATOM 593 O GLY B 15 9.839 -1.067 16.021 1.00 0.00 O ATOM 0 H GLY B 15 6.283 -1.649 13.691 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.630 -2.778 14.628 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.508 -1.607 13.331 1.00 0.00 H new ATOM 597 N VAL B 16 8.526 0.505 15.115 1.00 0.00 N ATOM 598 CA VAL B 16 9.130 1.572 15.899 1.00 0.00 C ATOM 599 C VAL B 16 9.215 1.167 17.370 1.00 0.00 C ATOM 600 O VAL B 16 10.279 1.257 17.980 1.00 0.00 O ATOM 601 CB VAL B 16 8.346 2.880 15.739 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.643 3.488 14.366 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.845 2.613 15.858 1.00 0.00 C ATOM 0 H VAL B 16 7.784 0.802 14.481 1.00 0.00 H new ATOM 0 HA VAL B 16 10.141 1.741 15.528 1.00 0.00 H new ATOM 0 HB VAL B 16 8.649 3.572 16.524 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.086 4.418 14.252 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.710 3.692 14.281 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.344 2.788 13.586 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.299 3.549 15.743 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.537 1.915 15.080 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.628 2.184 16.836 1.00 0.00 H new ATOM 613 N VAL B 17 8.100 0.727 17.935 1.00 0.00 N ATOM 614 CA VAL B 17 8.083 0.327 19.339 1.00 0.00 C ATOM 615 C VAL B 17 9.076 -0.809 19.599 1.00 0.00 C ATOM 616 O VAL B 17 9.817 -0.778 20.578 1.00 0.00 O ATOM 617 CB VAL B 17 6.681 -0.133 19.739 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.711 -0.653 21.178 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.705 1.044 19.647 1.00 0.00 C ATOM 0 H VAL B 17 7.206 0.638 17.453 1.00 0.00 H new ATOM 0 HA VAL B 17 8.372 1.192 19.936 1.00 0.00 H new ATOM 0 HB VAL B 17 6.355 -0.926 19.066 1.00 0.00 H new ATOM 0 HG11 VAL B 17 5.713 -0.982 21.467 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.404 -1.492 21.247 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.038 0.144 21.846 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.707 0.712 19.933 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.029 1.839 20.319 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.683 1.420 18.624 1.00 0.00 H new ATOM 629 N ILE B 18 9.092 -1.810 18.728 1.00 0.00 N ATOM 630 CA ILE B 18 10.013 -2.928 18.915 1.00 0.00 C ATOM 631 C ILE B 18 11.450 -2.410 18.853 1.00 0.00 C ATOM 632 O ILE B 18 12.291 -2.741 19.686 1.00 0.00 O ATOM 633 CB ILE B 18 9.787 -3.982 17.829 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.409 -4.620 18.023 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.863 -5.065 17.935 1.00 0.00 C ATOM 636 CD1 ILE B 18 8.054 -5.452 16.790 1.00 0.00 C ATOM 0 H ILE B 18 8.494 -1.874 17.904 1.00 0.00 H new ATOM 0 HA ILE B 18 9.834 -3.388 19.887 1.00 0.00 H new ATOM 0 HB ILE B 18 9.840 -3.510 16.848 1.00 0.00 H new ATOM 0 HG12 ILE B 18 8.410 -5.250 18.912 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.657 -3.847 18.182 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.701 -5.815 17.161 1.00 0.00 H new ATOM 0 HG22 ILE B 18 11.847 -4.614 17.804 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.808 -5.538 18.916 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.073 -5.906 16.928 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.036 -4.809 15.910 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.800 -6.235 16.652 1.00 0.00 H new ATOM 648 N ALA B 19 11.704 -1.599 17.841 1.00 0.00 N ATOM 649 CA ALA B 19 13.028 -1.023 17.635 1.00 0.00 C ATOM 650 C ALA B 19 13.476 -0.266 18.883 1.00 0.00 C ATOM 651 O ALA B 19 14.645 -0.312 19.259 1.00 0.00 O ATOM 652 CB ALA B 19 13.006 -0.074 16.437 1.00 0.00 C ATOM 0 H ALA B 19 11.011 -1.322 17.146 1.00 0.00 H new ATOM 0 HA ALA B 19 13.732 -1.831 17.439 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.999 0.351 16.291 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.712 -0.624 15.543 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.291 0.728 16.621 1.00 0.00 H new ATOM 658 N THR B 20 12.539 0.431 19.520 1.00 0.00 N ATOM 659 CA THR B 20 12.854 1.197 20.726 1.00 0.00 C ATOM 660 C THR B 20 13.218 0.279 21.880 1.00 0.00 C ATOM 661 O THR B 20 13.847 0.710 22.837 1.00 0.00 O ATOM 662 CB THR B 20 11.651 2.056 21.145 1.00 0.00 C ATOM 663 OG1 THR B 20 10.592 1.198 21.546 1.00 0.00 O ATOM 664 CG2 THR B 20 11.165 2.944 19.980 1.00 0.00 C ATOM 0 H THR B 20 11.564 0.482 19.226 1.00 0.00 H new ATOM 0 HA THR B 20 13.706 1.836 20.492 1.00 0.00 H new ATOM 0 HB THR B 20 11.957 2.704 21.967 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.595 0.392 20.988 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.313 3.540 20.308 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.972 3.606 19.666 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.866 2.314 19.142 1.00 0.00 H new ATOM 672 N MET B 21 12.793 -0.974 21.797 1.00 0.00 N ATOM 673 CA MET B 21 13.064 -1.937 22.860 1.00 0.00 C ATOM 674 C MET B 21 14.436 -2.583 22.707 1.00 0.00 C ATOM 675 O MET B 21 15.119 -2.822 23.703 1.00 0.00 O ATOM 676 CB MET B 21 11.992 -3.031 22.872 1.00 0.00 C ATOM 677 CG MET B 21 10.646 -2.446 23.311 1.00 0.00 C ATOM 678 SD MET B 21 10.738 -1.933 25.050 1.00 0.00 S ATOM 679 CE MET B 21 10.480 -0.156 24.806 1.00 0.00 C ATOM 0 H MET B 21 12.262 -1.348 21.010 1.00 0.00 H new ATOM 0 HA MET B 21 13.047 -1.388 23.802 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.899 -3.471 21.879 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.287 -3.832 23.549 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.388 -1.593 22.684 1.00 0.00 H new ATOM 0 HG3 MET B 21 9.857 -3.187 23.182 1.00 0.00 H new ATOM 0 HE1 MET B 21 10.502 0.351 25.771 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.270 0.242 24.169 1.00 0.00 H new ATOM 0 HE3 MET B 21 9.513 0.009 24.331 1.00 0.00 H new ATOM 689 N ILE B 22 14.849 -2.881 21.474 1.00 0.00 N ATOM 690 CA ILE B 22 16.146 -3.511 21.266 1.00 0.00 C ATOM 691 C ILE B 22 17.289 -2.549 21.569 1.00 0.00 C ATOM 692 O ILE B 22 18.270 -2.923 22.203 1.00 0.00 O ATOM 693 CB ILE B 22 16.261 -3.994 19.820 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.246 -5.114 19.580 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.677 -4.531 19.569 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.120 -5.372 18.078 1.00 0.00 C ATOM 0 H ILE B 22 14.315 -2.700 20.624 1.00 0.00 H new ATOM 0 HA ILE B 22 16.220 -4.357 21.950 1.00 0.00 H new ATOM 0 HB ILE B 22 16.062 -3.164 19.142 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.563 -6.023 20.091 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.277 -4.837 19.995 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.758 -4.875 18.538 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.403 -3.738 19.745 1.00 0.00 H new ATOM 0 HG23 ILE B 22 17.876 -5.362 20.246 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.397 -6.170 17.905 1.00 0.00 H new ATOM 0 HD12 ILE B 22 14.783 -4.463 17.580 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.089 -5.668 17.677 1.00 0.00 H new ATOM 708 N VAL B 23 17.184 -1.320 21.082 1.00 0.00 N ATOM 709 CA VAL B 23 18.245 -0.341 21.280 1.00 0.00 C ATOM 710 C VAL B 23 18.626 -0.237 22.747 1.00 0.00 C ATOM 711 O VAL B 23 19.798 -0.089 23.081 1.00 0.00 O ATOM 712 CB VAL B 23 17.769 1.019 20.779 1.00 0.00 C ATOM 713 CG1 VAL B 23 17.397 0.923 19.285 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.549 1.466 21.610 1.00 0.00 C ATOM 0 H VAL B 23 16.382 -0.979 20.551 1.00 0.00 H new ATOM 0 HA VAL B 23 19.124 -0.662 20.722 1.00 0.00 H new ATOM 0 HB VAL B 23 18.566 1.754 20.891 1.00 0.00 H new ATOM 0 HG11 VAL B 23 17.058 1.897 18.931 1.00 0.00 H new ATOM 0 HG12 VAL B 23 18.271 0.613 18.712 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.599 0.191 19.155 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.204 2.438 21.256 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.748 0.735 21.502 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.832 1.541 22.660 1.00 0.00 H new ATOM 724 N ILE B 24 17.642 -0.326 23.626 1.00 0.00 N ATOM 725 CA ILE B 24 17.930 -0.246 25.059 1.00 0.00 C ATOM 726 C ILE B 24 19.088 -1.186 25.396 1.00 0.00 C ATOM 727 O ILE B 24 20.024 -0.807 26.098 1.00 0.00 O ATOM 728 CB ILE B 24 16.703 -0.661 25.871 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.491 0.162 25.428 1.00 0.00 C ATOM 730 CG2 ILE B 24 16.963 -0.440 27.361 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.792 1.669 25.513 1.00 0.00 C ATOM 0 H ILE B 24 16.658 -0.451 23.387 1.00 0.00 H new ATOM 0 HA ILE B 24 18.194 0.782 25.307 1.00 0.00 H new ATOM 0 HB ILE B 24 16.502 -1.719 25.700 1.00 0.00 H new ATOM 0 HG12 ILE B 24 15.221 -0.102 24.406 1.00 0.00 H new ATOM 0 HG13 ILE B 24 14.634 -0.078 26.057 1.00 0.00 H new ATOM 0 HG21 ILE B 24 16.084 -0.738 27.932 1.00 0.00 H new ATOM 0 HG22 ILE B 24 17.819 -1.038 27.674 1.00 0.00 H new ATOM 0 HG23 ILE B 24 17.172 0.614 27.541 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.916 2.234 25.193 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.039 1.933 26.541 1.00 0.00 H new ATOM 0 HD13 ILE B 24 16.635 1.909 24.865 1.00 0.00 H new ATOM 743 N THR B 25 19.025 -2.409 24.874 1.00 0.00 N ATOM 744 CA THR B 25 20.093 -3.381 25.120 1.00 0.00 C ATOM 745 C THR B 25 21.413 -2.823 24.574 1.00 0.00 C ATOM 746 O THR B 25 22.420 -2.771 25.279 1.00 0.00 O ATOM 747 CB THR B 25 19.740 -4.720 24.442 1.00 0.00 C ATOM 748 OG1 THR B 25 18.801 -5.424 25.245 1.00 0.00 O ATOM 749 CG2 THR B 25 20.989 -5.586 24.248 1.00 0.00 C ATOM 0 H THR B 25 18.262 -2.748 24.288 1.00 0.00 H new ATOM 0 HA THR B 25 20.201 -3.557 26.190 1.00 0.00 H new ATOM 0 HB THR B 25 19.312 -4.506 23.463 1.00 0.00 H new ATOM 0 HG1 THR B 25 18.575 -6.275 24.814 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.710 -6.524 23.768 1.00 0.00 H new ATOM 0 HG22 THR B 25 21.705 -5.056 23.620 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.441 -5.795 25.218 1.00 0.00 H new ATOM 757 N LEU B 26 21.387 -2.417 23.312 1.00 0.00 N ATOM 758 CA LEU B 26 22.574 -1.865 22.657 1.00 0.00 C ATOM 759 C LEU B 26 23.181 -0.761 23.518 1.00 0.00 C ATOM 760 O LEU B 26 24.397 -0.682 23.685 1.00 0.00 O ATOM 761 CB LEU B 26 22.166 -1.321 21.280 1.00 0.00 C ATOM 762 CG LEU B 26 23.319 -0.559 20.582 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.540 0.845 21.201 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.621 -1.386 20.644 1.00 0.00 C ATOM 0 H LEU B 26 20.559 -2.458 22.718 1.00 0.00 H new ATOM 0 HA LEU B 26 23.327 -2.642 22.529 1.00 0.00 H new ATOM 0 HB2 LEU B 26 21.844 -2.148 20.646 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.311 -0.655 21.394 1.00 0.00 H new ATOM 0 HG LEU B 26 23.036 -0.416 19.539 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.357 1.346 20.683 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.629 1.435 21.099 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.789 0.742 22.257 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.424 -0.839 20.150 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.890 -1.563 21.685 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.470 -2.341 20.141 1.00 0.00 H new ATOM 776 N VAL B 27 22.332 0.064 24.101 1.00 0.00 N ATOM 777 CA VAL B 27 22.825 1.121 24.970 1.00 0.00 C ATOM 778 C VAL B 27 23.465 0.493 26.206 1.00 0.00 C ATOM 779 O VAL B 27 24.668 0.606 26.423 1.00 0.00 O ATOM 780 CB VAL B 27 21.682 2.049 25.379 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.215 3.125 26.332 1.00 0.00 C ATOM 782 CG2 VAL B 27 21.104 2.713 24.127 1.00 0.00 C ATOM 0 H VAL B 27 21.318 0.027 23.994 1.00 0.00 H new ATOM 0 HA VAL B 27 23.569 1.712 24.436 1.00 0.00 H new ATOM 0 HB VAL B 27 20.903 1.476 25.882 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.401 3.788 26.625 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.633 2.650 27.220 1.00 0.00 H new ATOM 0 HG13 VAL B 27 22.991 3.703 25.830 1.00 0.00 H new ATOM 0 HG21 VAL B 27 20.288 3.377 24.411 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.883 3.289 23.628 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.729 1.946 23.449 1.00 0.00 H new ATOM 792 N MET B 28 22.642 -0.167 27.012 1.00 0.00 N ATOM 793 CA MET B 28 23.124 -0.814 28.228 1.00 0.00 C ATOM 794 C MET B 28 24.364 -1.659 27.944 1.00 0.00 C ATOM 795 O MET B 28 25.192 -1.868 28.830 1.00 0.00 O ATOM 796 CB MET B 28 22.022 -1.698 28.822 1.00 0.00 C ATOM 797 CG MET B 28 20.831 -0.834 29.256 1.00 0.00 C ATOM 798 SD MET B 28 21.331 0.309 30.572 1.00 0.00 S ATOM 799 CE MET B 28 21.582 -0.916 31.882 1.00 0.00 C ATOM 0 H MET B 28 21.641 -0.269 26.847 1.00 0.00 H new ATOM 0 HA MET B 28 23.393 -0.037 28.943 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.699 -2.434 28.086 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.410 -2.252 29.677 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.450 -0.273 28.403 1.00 0.00 H new ATOM 0 HG3 MET B 28 20.019 -1.471 29.607 1.00 0.00 H new ATOM 0 HE1 MET B 28 21.441 -0.443 32.854 1.00 0.00 H new ATOM 0 HE2 MET B 28 20.863 -1.726 31.765 1.00 0.00 H new ATOM 0 HE3 MET B 28 22.594 -1.317 31.817 1.00 0.00 H new ATOM 809 N LEU B 29 24.505 -2.125 26.707 1.00 0.00 N ATOM 810 CA LEU B 29 25.672 -2.921 26.338 1.00 0.00 C ATOM 811 C LEU B 29 26.911 -2.039 26.259 1.00 0.00 C ATOM 812 O LEU B 29 28.025 -2.515 26.465 1.00 0.00 O ATOM 813 CB LEU B 29 25.445 -3.649 24.999 1.00 0.00 C ATOM 814 CG LEU B 29 24.664 -4.958 25.220 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.282 -5.543 23.856 1.00 0.00 C ATOM 816 CD2 LEU B 29 25.529 -5.983 25.997 1.00 0.00 C ATOM 0 H LEU B 29 23.837 -1.969 25.952 1.00 0.00 H new ATOM 0 HA LEU B 29 25.826 -3.675 27.110 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.895 -3.002 24.316 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.404 -3.866 24.530 1.00 0.00 H new ATOM 0 HG LEU B 29 23.769 -4.746 25.804 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.728 -6.471 24.000 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.660 -4.829 23.315 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.186 -5.745 23.281 1.00 0.00 H new ATOM 0 HD21 LEU B 29 24.961 -6.901 26.144 1.00 0.00 H new ATOM 0 HD22 LEU B 29 26.432 -6.202 25.428 1.00 0.00 H new ATOM 0 HD23 LEU B 29 25.803 -5.567 26.967 1.00 0.00 H new ATOM 828 N LYS B 30 26.726 -0.757 25.953 1.00 0.00 N ATOM 829 CA LYS B 30 27.860 0.155 25.852 1.00 0.00 C ATOM 830 C LYS B 30 28.812 -0.033 27.035 1.00 0.00 C ATOM 831 O LYS B 30 29.949 0.439 27.006 1.00 0.00 O ATOM 832 CB LYS B 30 27.382 1.610 25.823 1.00 0.00 C ATOM 833 CG LYS B 30 26.699 1.906 24.487 1.00 0.00 C ATOM 834 CD LYS B 30 26.196 3.353 24.486 1.00 0.00 C ATOM 835 CE LYS B 30 25.582 3.687 23.125 1.00 0.00 C ATOM 836 NZ LYS B 30 25.083 5.092 23.139 1.00 0.00 N ATOM 0 H LYS B 30 25.816 -0.332 25.773 1.00 0.00 H new ATOM 0 HA LYS B 30 28.386 -0.072 24.925 1.00 0.00 H new ATOM 0 HB2 LYS B 30 26.688 1.791 26.644 1.00 0.00 H new ATOM 0 HB3 LYS B 30 28.228 2.283 25.966 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.399 1.751 23.666 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.867 1.219 24.331 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.455 3.491 25.273 1.00 0.00 H new ATOM 0 HD3 LYS B 30 27.019 4.034 24.701 1.00 0.00 H new ATOM 0 HE2 LYS B 30 26.325 3.561 22.338 1.00 0.00 H new ATOM 0 HE3 LYS B 30 24.764 3.001 22.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 24.665 5.321 22.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.362 5.197 23.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 25.874 5.739 23.331 1.00 0.00 H new ATOM 850 N LYS B 31 28.347 -0.733 28.073 1.00 0.00 N ATOM 851 CA LYS B 31 29.171 -0.989 29.259 1.00 0.00 C ATOM 852 C LYS B 31 29.791 -2.382 29.181 1.00 0.00 C ATOM 853 O LYS B 31 30.205 -2.948 30.193 1.00 0.00 O ATOM 854 CB LYS B 31 28.320 -0.887 30.526 1.00 0.00 C ATOM 855 CG LYS B 31 27.873 0.562 30.733 1.00 0.00 C ATOM 856 CD LYS B 31 27.027 0.654 32.004 1.00 0.00 C ATOM 857 CE LYS B 31 26.581 2.101 32.219 1.00 0.00 C ATOM 858 NZ LYS B 31 25.749 2.184 33.454 1.00 0.00 N ATOM 0 H LYS B 31 27.409 -1.131 28.117 1.00 0.00 H new ATOM 0 HA LYS B 31 29.964 -0.242 29.294 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.450 -1.538 30.444 1.00 0.00 H new ATOM 0 HB3 LYS B 31 28.893 -1.228 31.389 1.00 0.00 H new ATOM 0 HG2 LYS B 31 28.742 1.215 30.813 1.00 0.00 H new ATOM 0 HG3 LYS B 31 27.296 0.903 29.873 1.00 0.00 H new ATOM 0 HD2 LYS B 31 26.157 0.003 31.922 1.00 0.00 H new ATOM 0 HD3 LYS B 31 27.603 0.309 32.862 1.00 0.00 H new ATOM 0 HE2 LYS B 31 27.451 2.752 32.309 1.00 0.00 H new ATOM 0 HE3 LYS B 31 26.010 2.449 31.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 25.445 3.167 33.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 24.913 1.574 33.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 26.309 1.868 34.272 1.00 0.00 H new ATOM 872 N LYS B 32 29.852 -2.924 27.970 1.00 0.00 N ATOM 873 CA LYS B 32 30.426 -4.249 27.760 1.00 0.00 C ATOM 874 C LYS B 32 29.731 -5.279 28.646 1.00 0.00 C ATOM 875 O LYS B 32 28.519 -5.389 28.553 1.00 0.00 O ATOM 876 CB LYS B 32 31.926 -4.224 28.077 1.00 0.00 C ATOM 877 CG LYS B 32 32.606 -5.462 27.476 1.00 0.00 C ATOM 878 CD LYS B 32 34.127 -5.353 27.642 1.00 0.00 C ATOM 879 CE LYS B 32 34.515 -5.504 29.118 1.00 0.00 C ATOM 880 NZ LYS B 32 35.972 -5.804 29.220 1.00 0.00 N ATOM 0 H LYS B 32 29.513 -2.470 27.122 1.00 0.00 H new ATOM 0 HA LYS B 32 30.281 -4.528 26.716 1.00 0.00 H new ATOM 0 HB2 LYS B 32 32.377 -3.318 27.673 1.00 0.00 H new ATOM 0 HB3 LYS B 32 32.079 -4.202 29.156 1.00 0.00 H new ATOM 0 HG2 LYS B 32 32.241 -6.363 27.968 1.00 0.00 H new ATOM 0 HG3 LYS B 32 32.352 -5.551 26.420 1.00 0.00 H new ATOM 0 HD2 LYS B 32 34.620 -6.123 27.049 1.00 0.00 H new ATOM 0 HD3 LYS B 32 34.472 -4.390 27.265 1.00 0.00 H new ATOM 0 HE2 LYS B 32 34.282 -4.589 29.662 1.00 0.00 H new ATOM 0 HE3 LYS B 32 33.935 -6.304 29.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 36.236 -5.907 30.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 36.181 -6.689 28.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 36.517 -5.026 28.796 1.00 0.00 H new TER 894 LYS B 32