USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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: C 11 SER OG : rot -86:sc= 0.0973 USER MOD Set 1.2: C 21 THR OG1 : rot 180:sc= 0.0838 USER MOD Set 2.1: C 13 ASN : amide:sc= -0.0933 K(o=-0.093,f=-1.1) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc=-0.00755 K(o=-0.0075,f=-1.7!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.587 USER MOD Set 4.2: A 21 THR OG1 : rot -74:sc= 0.655 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.0023 (180deg=-0.261) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.00883 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -57:sc= 0.0329 USER MOD Single : A 28 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.6) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 35 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0749 (180deg=-0.485) USER MOD Single : A 43 HIS : no HE2:sc= -3.06 K(o=-3.1,f=-4.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -125:sc= -0.0229 (180deg=-0.346) USER MOD Single : C 1 MET N :NH3+ 133:sc= 0.0122 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 150:sc= 0.906 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 28:sc= 0.0544 USER MOD Single : C 28 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.26) USER MOD Single : C 29 GLN : amide:sc= -0.0879 K(o=-0.088,f=-4.3!) USER MOD Single : C 35 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 157:sc= -0.058 (180deg=-0.462) USER MOD Single : C 43 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-3.6!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.942 -4.927 -11.252 1.00 0.00 N ATOM 2 CA MET A 1 -5.871 -4.030 -10.081 1.00 0.00 C ATOM 3 C MET A 1 -6.967 -4.375 -9.080 1.00 0.00 C ATOM 4 O MET A 1 -8.107 -4.617 -9.467 1.00 0.00 O ATOM 5 CB MET A 1 -6.010 -2.567 -10.515 1.00 0.00 C ATOM 6 CG MET A 1 -5.704 -1.585 -9.386 1.00 0.00 C ATOM 7 SD MET A 1 -3.943 -1.332 -9.073 1.00 0.00 S ATOM 8 CE MET A 1 -3.631 -0.254 -10.492 1.00 0.00 C ATOM 0 H1 MET A 1 -5.791 -4.376 -12.121 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.207 -5.658 -11.174 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.878 -5.379 -11.287 1.00 0.00 H new ATOM 0 HA MET A 1 -4.899 -4.167 -9.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.337 -2.375 -11.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.024 -2.394 -10.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.160 -0.624 -9.623 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.175 -1.944 -8.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.809 -0.659 -11.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.528 -0.196 -11.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.368 0.744 -10.140 1.00 0.00 H new ATOM 20 N LEU A 2 -6.614 -4.391 -7.793 1.00 0.00 N ATOM 21 CA LEU A 2 -7.550 -4.589 -6.699 1.00 0.00 C ATOM 22 C LEU A 2 -7.385 -3.373 -5.792 1.00 0.00 C ATOM 23 O LEU A 2 -6.268 -3.050 -5.399 1.00 0.00 O ATOM 24 CB LEU A 2 -7.244 -5.934 -6.033 1.00 0.00 C ATOM 25 CG LEU A 2 -8.196 -6.332 -4.900 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.809 -5.649 -3.593 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.656 -6.010 -5.219 1.00 0.00 C ATOM 0 H LEU A 2 -5.651 -4.264 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.595 -4.649 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.267 -6.713 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.228 -5.903 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.102 -7.413 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.501 -5.949 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.796 -5.941 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.853 -4.567 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.286 -6.313 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.764 -4.938 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.960 -6.549 -6.116 1.00 0.00 H new ATOM 39 N ILE A 3 -8.490 -2.696 -5.466 1.00 0.00 N ATOM 40 CA ILE A 3 -8.428 -1.374 -4.860 1.00 0.00 C ATOM 41 C ILE A 3 -9.261 -1.312 -3.595 1.00 0.00 C ATOM 42 O ILE A 3 -10.304 -1.959 -3.505 1.00 0.00 O ATOM 43 CB ILE A 3 -8.954 -0.365 -5.888 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.166 -0.528 -7.192 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.850 1.072 -5.369 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.854 0.177 -8.347 1.00 0.00 C ATOM 0 H ILE A 3 -9.436 -3.047 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.399 -1.144 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.010 -0.564 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.161 -0.125 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.058 -1.588 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.232 1.760 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.437 1.173 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.807 1.308 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.269 0.042 -9.257 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.849 -0.244 -8.490 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.939 1.241 -8.125 1.00 0.00 H new ATOM 58 N LEU A 4 -8.786 -0.531 -2.623 1.00 0.00 N ATOM 59 CA LEU A 4 -9.412 -0.406 -1.317 1.00 0.00 C ATOM 60 C LEU A 4 -9.216 1.018 -0.797 1.00 0.00 C ATOM 61 O LEU A 4 -8.189 1.636 -1.079 1.00 0.00 O ATOM 62 CB LEU A 4 -8.752 -1.410 -0.364 1.00 0.00 C ATOM 63 CG LEU A 4 -8.862 -2.867 -0.839 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.985 -3.778 0.011 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.294 -3.375 -0.727 1.00 0.00 C ATOM 0 H LEU A 4 -7.945 0.037 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.480 -0.612 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.699 -1.152 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.212 -1.321 0.620 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.538 -2.886 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.078 -4.805 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.946 -3.459 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.304 -3.722 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.341 -4.409 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.618 -3.322 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.948 -2.758 -1.343 1.00 0.00 H new ATOM 77 N THR A 5 -10.184 1.540 -0.039 1.00 0.00 N ATOM 78 CA THR A 5 -10.024 2.827 0.620 1.00 0.00 C ATOM 79 C THR A 5 -9.588 2.603 2.056 1.00 0.00 C ATOM 80 O THR A 5 -10.008 1.638 2.694 1.00 0.00 O ATOM 81 CB THR A 5 -11.321 3.644 0.651 1.00 0.00 C ATOM 82 OG1 THR A 5 -12.406 2.831 1.042 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.622 4.297 -0.693 1.00 0.00 C ATOM 0 H THR A 5 -11.083 1.088 0.130 1.00 0.00 H new ATOM 0 HA THR A 5 -9.280 3.383 0.049 1.00 0.00 H new ATOM 0 HB THR A 5 -11.180 4.440 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.227 3.366 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.550 4.865 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.806 4.968 -0.963 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.726 3.526 -1.457 1.00 0.00 H new ATOM 91 N ARG A 6 -8.742 3.501 2.560 1.00 0.00 N ATOM 92 CA ARG A 6 -8.291 3.491 3.938 1.00 0.00 C ATOM 93 C ARG A 6 -8.217 4.909 4.459 1.00 0.00 C ATOM 94 O ARG A 6 -7.662 5.793 3.808 1.00 0.00 O ATOM 95 CB ARG A 6 -6.900 2.863 4.030 1.00 0.00 C ATOM 96 CG ARG A 6 -6.868 1.364 3.739 1.00 0.00 C ATOM 97 CD ARG A 6 -7.416 0.538 4.907 1.00 0.00 C ATOM 98 NE ARG A 6 -8.878 0.572 4.984 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.622 -0.200 5.775 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.066 -1.127 6.553 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.943 -0.046 5.786 1.00 0.00 N ATOM 0 H ARG A 6 -8.349 4.264 2.009 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.996 2.910 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.237 3.372 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.501 3.036 5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.453 1.157 2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.843 1.058 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.085 -0.495 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.998 0.914 5.841 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.365 1.239 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.054 -1.255 6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.652 -1.709 7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.379 0.659 5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.520 -0.633 6.389 1.00 0.00 H new ATOM 115 N LYS A 7 -8.783 5.104 5.647 1.00 0.00 N ATOM 116 CA LYS A 7 -8.696 6.367 6.353 1.00 0.00 C ATOM 117 C LYS A 7 -7.306 6.459 6.961 1.00 0.00 C ATOM 118 O LYS A 7 -6.699 5.423 7.237 1.00 0.00 O ATOM 119 CB LYS A 7 -9.756 6.397 7.449 1.00 0.00 C ATOM 120 CG LYS A 7 -11.161 6.419 6.854 1.00 0.00 C ATOM 121 CD LYS A 7 -11.478 7.813 6.312 1.00 0.00 C ATOM 122 CE LYS A 7 -11.820 8.767 7.453 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.428 10.004 6.938 1.00 0.00 N ATOM 0 H LYS A 7 -9.314 4.387 6.142 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.866 7.208 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.644 5.524 8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.610 7.276 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.237 5.683 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.891 6.141 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.623 8.196 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.314 7.757 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.507 8.281 8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.917 9.007 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.652 10.637 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.761 10.477 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.301 9.773 6.422 1.00 0.00 H new ATOM 137 N VAL A 8 -6.791 7.672 7.172 1.00 0.00 N ATOM 138 CA VAL A 8 -5.449 7.770 7.738 1.00 0.00 C ATOM 139 C VAL A 8 -5.408 7.093 9.106 1.00 0.00 C ATOM 140 O VAL A 8 -6.050 7.535 10.058 1.00 0.00 O ATOM 141 CB VAL A 8 -4.930 9.207 7.774 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.766 9.696 6.338 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.818 10.198 8.522 1.00 0.00 C ATOM 0 H VAL A 8 -7.256 8.557 6.971 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.764 7.237 7.079 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.989 9.173 8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.396 10.721 6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.055 9.056 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.729 9.660 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.364 11.189 8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.800 10.234 8.051 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.925 9.880 9.559 1.00 0.00 H new ATOM 153 N GLY A 9 -4.640 6.008 9.192 1.00 0.00 N ATOM 154 CA GLY A 9 -4.489 5.210 10.405 1.00 0.00 C ATOM 155 C GLY A 9 -4.926 3.754 10.219 1.00 0.00 C ATOM 156 O GLY A 9 -4.605 2.909 11.056 1.00 0.00 O ATOM 0 H GLY A 9 -4.096 5.653 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.446 5.233 10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.076 5.661 11.206 1.00 0.00 H new ATOM 160 N GLU A 10 -5.655 3.444 9.141 1.00 0.00 N ATOM 161 CA GLU A 10 -6.133 2.092 8.870 1.00 0.00 C ATOM 162 C GLU A 10 -5.081 1.258 8.127 1.00 0.00 C ATOM 163 O GLU A 10 -4.013 1.768 7.779 1.00 0.00 O ATOM 164 CB GLU A 10 -7.443 2.147 8.079 1.00 0.00 C ATOM 165 CG GLU A 10 -8.543 2.832 8.891 1.00 0.00 C ATOM 166 CD GLU A 10 -9.899 2.726 8.191 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.936 2.935 6.958 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.892 2.439 8.899 1.00 0.00 O ATOM 0 H GLU A 10 -5.928 4.127 8.434 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.318 1.601 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.286 2.686 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.756 1.137 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.605 2.377 9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.289 3.882 9.039 1.00 0.00 H new ATOM 175 N SER A 11 -5.388 -0.023 7.883 1.00 0.00 N ATOM 176 CA SER A 11 -4.424 -0.961 7.318 1.00 0.00 C ATOM 177 C SER A 11 -5.060 -1.930 6.321 1.00 0.00 C ATOM 178 O SER A 11 -6.286 -2.029 6.224 1.00 0.00 O ATOM 179 CB SER A 11 -3.771 -1.757 8.450 1.00 0.00 C ATOM 180 OG SER A 11 -3.087 -0.894 9.338 1.00 0.00 O ATOM 0 H SER A 11 -6.304 -0.430 8.071 1.00 0.00 H new ATOM 0 HA SER A 11 -3.681 -0.377 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.532 -2.317 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.075 -2.486 8.034 1.00 0.00 H new ATOM 0 HG SER A 11 -2.677 -1.421 10.056 1.00 0.00 H new ATOM 186 N ILE A 12 -4.200 -2.645 5.584 1.00 0.00 N ATOM 187 CA ILE A 12 -4.550 -3.583 4.516 1.00 0.00 C ATOM 188 C ILE A 12 -3.627 -4.798 4.635 1.00 0.00 C ATOM 189 O ILE A 12 -2.581 -4.707 5.273 1.00 0.00 O ATOM 190 CB ILE A 12 -4.343 -2.890 3.157 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.242 -1.656 2.999 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.569 -3.840 1.978 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.729 -1.996 2.914 1.00 0.00 C ATOM 0 H ILE A 12 -3.192 -2.580 5.726 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.590 -3.899 4.596 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.301 -2.570 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.078 -0.986 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.949 -1.115 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.411 -3.303 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.868 -4.672 2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.589 -4.222 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.306 -1.078 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.906 -2.642 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.037 -2.511 3.824 1.00 0.00 H new ATOM 205 N ASN A 13 -3.997 -5.931 4.033 1.00 0.00 N ATOM 206 CA ASN A 13 -3.211 -7.154 4.139 1.00 0.00 C ATOM 207 C ASN A 13 -2.922 -7.755 2.769 1.00 0.00 C ATOM 208 O ASN A 13 -3.709 -7.606 1.832 1.00 0.00 O ATOM 209 CB ASN A 13 -3.980 -8.158 5.000 1.00 0.00 C ATOM 210 CG ASN A 13 -4.210 -7.635 6.406 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.315 -7.213 6.737 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.179 -7.655 7.243 1.00 0.00 N ATOM 0 H ASN A 13 -4.840 -6.023 3.466 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.252 -6.916 4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.940 -8.378 4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.426 -9.096 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.290 -7.312 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.276 -8.013 6.932 1.00 0.00 H new ATOM 219 N ILE A 14 -1.778 -8.436 2.670 1.00 0.00 N ATOM 220 CA ILE A 14 -1.328 -9.115 1.459 1.00 0.00 C ATOM 221 C ILE A 14 -0.697 -10.444 1.859 1.00 0.00 C ATOM 222 O ILE A 14 0.086 -10.504 2.809 1.00 0.00 O ATOM 223 CB ILE A 14 -0.298 -8.250 0.714 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.922 -6.907 0.317 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.232 -9.000 -0.517 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.072 -6.001 -0.415 1.00 0.00 C ATOM 0 H ILE A 14 -1.126 -8.531 3.449 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.175 -9.286 0.795 1.00 0.00 H new ATOM 0 HB ILE A 14 0.544 -8.049 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.787 -7.085 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.285 -6.399 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.961 -8.378 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.708 -9.928 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.596 -9.227 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.416 -5.062 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.925 -5.799 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.415 -6.496 -1.323 1.00 0.00 H new ATOM 238 N GLY A 15 -1.036 -11.510 1.131 1.00 0.00 N ATOM 239 CA GLY A 15 -0.535 -12.839 1.425 1.00 0.00 C ATOM 240 C GLY A 15 -0.832 -13.213 2.874 1.00 0.00 C ATOM 241 O GLY A 15 -1.878 -12.855 3.414 1.00 0.00 O ATOM 0 H GLY A 15 -1.662 -11.469 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.995 -13.564 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.540 -12.877 1.246 1.00 0.00 H new ATOM 245 N ASP A 16 0.101 -13.931 3.502 1.00 0.00 N ATOM 246 CA ASP A 16 0.004 -14.326 4.899 1.00 0.00 C ATOM 247 C ASP A 16 1.238 -13.849 5.662 1.00 0.00 C ATOM 248 O ASP A 16 1.505 -14.310 6.771 1.00 0.00 O ATOM 249 CB ASP A 16 -0.170 -15.842 4.993 1.00 0.00 C ATOM 250 CG ASP A 16 -1.442 -16.299 4.291 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.526 -16.093 4.878 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.319 -16.850 3.175 1.00 0.00 O ATOM 0 H ASP A 16 0.953 -14.256 3.045 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.868 -13.859 5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.692 -16.337 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.203 -16.142 6.040 1.00 0.00 H new ATOM 257 N ASP A 17 1.996 -12.921 5.063 1.00 0.00 N ATOM 258 CA ASP A 17 3.255 -12.442 5.622 1.00 0.00 C ATOM 259 C ASP A 17 3.435 -10.932 5.454 1.00 0.00 C ATOM 260 O ASP A 17 4.475 -10.412 5.850 1.00 0.00 O ATOM 261 CB ASP A 17 4.416 -13.176 4.948 1.00 0.00 C ATOM 262 CG ASP A 17 4.356 -14.682 5.197 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.783 -15.100 6.298 1.00 0.00 O ATOM 264 OD2 ASP A 17 3.884 -15.398 4.286 1.00 0.00 O ATOM 0 H ASP A 17 1.748 -12.484 4.175 1.00 0.00 H new ATOM 0 HA ASP A 17 3.240 -12.647 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.394 -12.984 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.361 -12.783 5.323 1.00 0.00 H new ATOM 269 N ILE A 18 2.461 -10.217 4.882 1.00 0.00 N ATOM 270 CA ILE A 18 2.616 -8.784 4.657 1.00 0.00 C ATOM 271 C ILE A 18 1.373 -8.017 5.097 1.00 0.00 C ATOM 272 O ILE A 18 0.245 -8.503 5.007 1.00 0.00 O ATOM 273 CB ILE A 18 2.918 -8.503 3.178 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.145 -9.275 2.674 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.173 -7.008 2.967 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.718 -10.577 1.994 1.00 0.00 C ATOM 0 H ILE A 18 1.570 -10.604 4.571 1.00 0.00 H new ATOM 0 HA ILE A 18 3.456 -8.440 5.261 1.00 0.00 H new ATOM 0 HB ILE A 18 2.045 -8.832 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.706 -8.659 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.811 -9.495 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.386 -6.820 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.290 -6.443 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.025 -6.695 3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.601 -11.111 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.177 -11.199 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.071 -10.350 1.147 1.00 0.00 H new ATOM 288 N THR A 19 1.598 -6.790 5.580 1.00 0.00 N ATOM 289 CA THR A 19 0.558 -5.858 5.978 1.00 0.00 C ATOM 290 C THR A 19 0.997 -4.463 5.547 1.00 0.00 C ATOM 291 O THR A 19 2.194 -4.196 5.423 1.00 0.00 O ATOM 292 CB THR A 19 0.347 -5.949 7.495 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.077 -7.252 7.833 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.717 -4.971 7.994 1.00 0.00 C ATOM 0 H THR A 19 2.538 -6.415 5.705 1.00 0.00 H new ATOM 0 HA THR A 19 -0.395 -6.093 5.503 1.00 0.00 H new ATOM 0 HB THR A 19 1.299 -5.700 7.964 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.211 -7.311 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.829 -5.075 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.414 -3.951 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.668 -5.189 7.508 1.00 0.00 H new ATOM 302 N ILE A 20 0.031 -3.575 5.324 1.00 0.00 N ATOM 303 CA ILE A 20 0.263 -2.212 4.868 1.00 0.00 C ATOM 304 C ILE A 20 -0.549 -1.274 5.750 1.00 0.00 C ATOM 305 O ILE A 20 -1.611 -1.656 6.237 1.00 0.00 O ATOM 306 CB ILE A 20 -0.174 -2.072 3.399 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.500 -3.100 2.485 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.086 -0.657 2.882 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.003 -2.864 2.318 1.00 0.00 C ATOM 0 H ILE A 20 -0.957 -3.791 5.459 1.00 0.00 H new ATOM 0 HA ILE A 20 1.322 -1.964 4.935 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.246 -2.268 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.338 -4.099 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.023 -3.073 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.232 -0.586 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.475 0.059 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.151 -0.434 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.420 -3.626 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.171 -1.878 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.490 -2.920 3.291 1.00 0.00 H new ATOM 321 N THR A 21 -0.060 -0.046 5.960 1.00 0.00 N ATOM 322 CA THR A 21 -0.727 0.919 6.827 1.00 0.00 C ATOM 323 C THR A 21 -0.539 2.333 6.297 1.00 0.00 C ATOM 324 O THR A 21 0.566 2.716 5.924 1.00 0.00 O ATOM 325 CB THR A 21 -0.147 0.821 8.242 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.248 -0.502 8.718 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.884 1.741 9.215 1.00 0.00 C ATOM 0 H THR A 21 0.801 0.300 5.536 1.00 0.00 H new ATOM 0 HA THR A 21 -1.793 0.693 6.848 1.00 0.00 H new ATOM 0 HB THR A 21 0.898 1.127 8.185 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.181 -0.697 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.446 1.645 10.209 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.796 2.774 8.877 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.937 1.461 9.254 1.00 0.00 H new ATOM 335 N ILE A 22 -1.620 3.118 6.263 1.00 0.00 N ATOM 336 CA ILE A 22 -1.589 4.508 5.830 1.00 0.00 C ATOM 337 C ILE A 22 -1.384 5.381 7.059 1.00 0.00 C ATOM 338 O ILE A 22 -2.335 5.691 7.774 1.00 0.00 O ATOM 339 CB ILE A 22 -2.878 4.834 5.047 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.089 6.336 4.840 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.132 4.272 5.720 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.907 6.973 4.121 1.00 0.00 C ATOM 0 H ILE A 22 -2.548 2.798 6.539 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.763 4.702 5.146 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.733 4.354 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.999 6.500 4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.233 6.821 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.010 4.530 5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.050 3.188 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.230 4.697 6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.092 8.039 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.002 6.831 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.780 6.505 3.145 1.00 0.00 H new ATOM 354 N LEU A 23 -0.139 5.786 7.327 1.00 0.00 N ATOM 355 CA LEU A 23 0.171 6.539 8.536 1.00 0.00 C ATOM 356 C LEU A 23 -0.421 7.950 8.460 1.00 0.00 C ATOM 357 O LEU A 23 -0.677 8.566 9.492 1.00 0.00 O ATOM 358 CB LEU A 23 1.688 6.596 8.799 1.00 0.00 C ATOM 359 CG LEU A 23 2.496 5.444 8.192 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.978 5.723 8.420 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.151 4.100 8.829 1.00 0.00 C ATOM 0 H LEU A 23 0.663 5.604 6.724 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.286 6.016 9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.074 7.537 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.854 6.608 9.876 1.00 0.00 H new ATOM 0 HG LEU A 23 2.255 5.384 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.570 4.913 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.250 6.663 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.175 5.793 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.748 3.314 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.365 4.138 9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.093 3.887 8.679 1.00 0.00 H new ATOM 373 N GLY A 24 -0.641 8.465 7.243 1.00 0.00 N ATOM 374 CA GLY A 24 -1.303 9.750 7.038 1.00 0.00 C ATOM 375 C GLY A 24 -0.948 10.378 5.691 1.00 0.00 C ATOM 376 O GLY A 24 -0.303 9.743 4.859 1.00 0.00 O ATOM 0 H GLY A 24 -0.364 8.000 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.383 9.614 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.022 10.433 7.840 1.00 0.00 H new ATOM 380 N VAL A 25 -1.375 11.629 5.477 1.00 0.00 N ATOM 381 CA VAL A 25 -1.075 12.356 4.246 1.00 0.00 C ATOM 382 C VAL A 25 -0.390 13.686 4.574 1.00 0.00 C ATOM 383 O VAL A 25 -0.334 14.081 5.737 1.00 0.00 O ATOM 384 CB VAL A 25 -2.330 12.542 3.376 1.00 0.00 C ATOM 385 CG1 VAL A 25 -3.120 11.239 3.246 1.00 0.00 C ATOM 386 CG2 VAL A 25 -3.273 13.621 3.905 1.00 0.00 C ATOM 0 H VAL A 25 -1.933 12.158 6.148 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.381 11.761 3.652 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.955 12.856 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.000 11.407 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.491 10.477 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.433 10.903 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.138 13.703 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.605 13.354 4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.750 14.577 3.938 1.00 0.00 H new ATOM 396 N SER A 26 0.130 14.379 3.555 1.00 0.00 N ATOM 397 CA SER A 26 0.890 15.611 3.738 1.00 0.00 C ATOM 398 C SER A 26 0.592 16.588 2.603 1.00 0.00 C ATOM 399 O SER A 26 1.501 17.132 1.980 1.00 0.00 O ATOM 400 CB SER A 26 2.385 15.287 3.812 1.00 0.00 C ATOM 401 OG SER A 26 3.104 16.386 4.329 1.00 0.00 O ATOM 0 H SER A 26 0.033 14.097 2.580 1.00 0.00 H new ATOM 0 HA SER A 26 0.593 16.085 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.543 14.412 4.443 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.758 15.035 2.819 1.00 0.00 H new ATOM 0 HG SER A 26 2.943 17.174 3.770 1.00 0.00 H new ATOM 407 N GLY A 27 -0.697 16.803 2.336 1.00 0.00 N ATOM 408 CA GLY A 27 -1.153 17.649 1.244 1.00 0.00 C ATOM 409 C GLY A 27 -1.682 16.748 0.137 1.00 0.00 C ATOM 410 O GLY A 27 -2.794 16.233 0.241 1.00 0.00 O ATOM 0 H GLY A 27 -1.456 16.390 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.934 18.327 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.335 18.267 0.874 1.00 0.00 H new ATOM 414 N GLN A 28 -0.885 16.559 -0.919 1.00 0.00 N ATOM 415 CA GLN A 28 -1.211 15.610 -1.971 1.00 0.00 C ATOM 416 C GLN A 28 -0.165 14.497 -1.998 1.00 0.00 C ATOM 417 O GLN A 28 -0.186 13.618 -2.864 1.00 0.00 O ATOM 418 CB GLN A 28 -1.371 16.325 -3.312 1.00 0.00 C ATOM 419 CG GLN A 28 -2.596 15.774 -4.054 1.00 0.00 C ATOM 420 CD GLN A 28 -3.880 16.169 -3.332 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.396 17.264 -3.538 1.00 0.00 O ATOM 422 NE2 GLN A 28 -4.403 15.284 -2.484 1.00 0.00 N ATOM 0 H GLN A 28 -0.006 17.057 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.173 15.141 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.484 17.397 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.475 16.186 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.613 16.157 -5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.529 14.688 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.945 14.384 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.261 15.506 -1.980 1.00 0.00 H new ATOM 431 N GLN A 29 0.755 14.548 -1.030 1.00 0.00 N ATOM 432 CA GLN A 29 1.651 13.449 -0.751 1.00 0.00 C ATOM 433 C GLN A 29 0.964 12.542 0.263 1.00 0.00 C ATOM 434 O GLN A 29 0.001 12.942 0.918 1.00 0.00 O ATOM 435 CB GLN A 29 2.985 13.938 -0.173 1.00 0.00 C ATOM 436 CG GLN A 29 3.871 14.556 -1.253 1.00 0.00 C ATOM 437 CD GLN A 29 5.346 14.381 -0.905 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.926 13.331 -1.170 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.968 15.395 -0.313 1.00 0.00 N ATOM 0 H GLN A 29 0.890 15.357 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 29 1.871 12.920 -1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.796 14.674 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.508 13.104 0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.661 14.088 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.640 15.616 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.459 16.254 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.954 15.314 -0.066 1.00 0.00 H new ATOM 448 N VAL A 30 1.464 11.315 0.388 1.00 0.00 N ATOM 449 CA VAL A 30 0.906 10.311 1.270 1.00 0.00 C ATOM 450 C VAL A 30 2.068 9.577 1.919 1.00 0.00 C ATOM 451 O VAL A 30 3.120 9.423 1.304 1.00 0.00 O ATOM 452 CB VAL A 30 0.028 9.353 0.452 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.626 8.320 1.363 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.085 10.110 -0.276 1.00 0.00 C ATOM 0 H VAL A 30 2.280 10.992 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 30 0.281 10.758 2.043 1.00 0.00 H new ATOM 0 HB VAL A 30 0.677 8.863 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.245 7.649 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.146 7.744 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.248 8.827 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.691 9.406 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.714 10.622 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.645 10.842 -0.953 1.00 0.00 H new ATOM 464 N ARG A 31 1.888 9.116 3.157 1.00 0.00 N ATOM 465 CA ARG A 31 2.935 8.417 3.882 1.00 0.00 C ATOM 466 C ARG A 31 2.375 7.107 4.399 1.00 0.00 C ATOM 467 O ARG A 31 1.388 7.079 5.134 1.00 0.00 O ATOM 468 CB ARG A 31 3.474 9.308 4.996 1.00 0.00 C ATOM 469 CG ARG A 31 4.756 8.725 5.589 1.00 0.00 C ATOM 470 CD ARG A 31 5.400 9.761 6.514 1.00 0.00 C ATOM 471 NE ARG A 31 5.867 10.924 5.748 1.00 0.00 N ATOM 472 CZ ARG A 31 5.770 12.194 6.152 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.245 12.498 7.336 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.198 13.173 5.362 1.00 0.00 N ATOM 0 H ARG A 31 1.017 9.218 3.677 1.00 0.00 H new ATOM 0 HA ARG A 31 3.776 8.187 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.671 10.306 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.722 9.414 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.533 7.814 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.448 8.452 4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.680 10.081 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.238 9.310 7.046 1.00 0.00 H new ATOM 0 HE ARG A 31 6.297 10.749 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.909 11.756 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.178 13.473 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.599 12.954 4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.125 14.143 5.667 1.00 0.00 H new ATOM 488 N ILE A 32 3.031 6.017 3.996 1.00 0.00 N ATOM 489 CA ILE A 32 2.529 4.663 4.167 1.00 0.00 C ATOM 490 C ILE A 32 3.653 3.773 4.670 1.00 0.00 C ATOM 491 O ILE A 32 4.813 3.958 4.306 1.00 0.00 O ATOM 492 CB ILE A 32 2.013 4.184 2.801 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.745 4.958 2.426 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.710 2.683 2.782 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.536 4.959 0.909 1.00 0.00 C ATOM 0 H ILE A 32 3.940 6.057 3.535 1.00 0.00 H new ATOM 0 HA ILE A 32 1.720 4.627 4.896 1.00 0.00 H new ATOM 0 HB ILE A 32 2.805 4.371 2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.119 4.509 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.819 5.983 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.349 2.397 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.618 2.126 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.947 2.456 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.370 5.514 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.391 5.430 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.438 3.933 0.555 1.00 0.00 H new ATOM 507 N GLY A 33 3.296 2.808 5.512 1.00 0.00 N ATOM 508 CA GLY A 33 4.238 1.858 6.074 1.00 0.00 C ATOM 509 C GLY A 33 3.935 0.460 5.563 1.00 0.00 C ATOM 510 O GLY A 33 2.841 0.189 5.075 1.00 0.00 O ATOM 0 H GLY A 33 2.335 2.666 5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.256 2.140 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.180 1.877 7.162 1.00 0.00 H new ATOM 514 N ILE A 34 4.926 -0.419 5.676 1.00 0.00 N ATOM 515 CA ILE A 34 4.868 -1.777 5.187 1.00 0.00 C ATOM 516 C ILE A 34 5.414 -2.656 6.299 1.00 0.00 C ATOM 517 O ILE A 34 6.303 -2.248 7.047 1.00 0.00 O ATOM 518 CB ILE A 34 5.700 -1.881 3.901 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.174 -0.878 2.867 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.653 -3.293 3.318 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.062 -0.800 1.623 1.00 0.00 C ATOM 0 H ILE A 34 5.814 -0.192 6.124 1.00 0.00 H new ATOM 0 HA ILE A 34 3.855 -2.093 4.936 1.00 0.00 H new ATOM 0 HB ILE A 34 6.737 -1.652 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.164 -1.162 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.107 0.109 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.252 -3.331 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.052 -4.000 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.621 -3.556 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.645 -0.076 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.066 -0.489 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.108 -1.779 1.147 1.00 0.00 H new ATOM 533 N ASN A 35 4.879 -3.866 6.407 1.00 0.00 N ATOM 534 CA ASN A 35 5.218 -4.760 7.495 1.00 0.00 C ATOM 535 C ASN A 35 5.364 -6.168 6.941 1.00 0.00 C ATOM 536 O ASN A 35 4.383 -6.894 6.801 1.00 0.00 O ATOM 537 CB ASN A 35 4.137 -4.673 8.569 1.00 0.00 C ATOM 538 CG ASN A 35 4.478 -5.505 9.795 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.599 -5.983 9.949 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.507 -5.691 10.682 1.00 0.00 N ATOM 0 H ASN A 35 4.203 -4.248 5.746 1.00 0.00 H new ATOM 0 HA ASN A 35 6.165 -4.478 7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.003 -3.632 8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.187 -5.012 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.682 -6.245 11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.587 -5.280 10.524 1.00 0.00 H new ATOM 547 N ALA A 36 6.606 -6.534 6.628 1.00 0.00 N ATOM 548 CA ALA A 36 6.921 -7.820 6.031 1.00 0.00 C ATOM 549 C ALA A 36 8.238 -8.373 6.568 1.00 0.00 C ATOM 550 O ALA A 36 9.077 -7.615 7.057 1.00 0.00 O ATOM 551 CB ALA A 36 7.027 -7.633 4.516 1.00 0.00 C ATOM 0 H ALA A 36 7.421 -5.941 6.784 1.00 0.00 H new ATOM 0 HA ALA A 36 6.133 -8.531 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.263 -8.588 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.078 -7.263 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.815 -6.914 4.292 1.00 0.00 H new ATOM 557 N PRO A 37 8.430 -9.696 6.475 1.00 0.00 N ATOM 558 CA PRO A 37 9.680 -10.367 6.777 1.00 0.00 C ATOM 559 C PRO A 37 10.749 -10.058 5.736 1.00 0.00 C ATOM 560 O PRO A 37 10.442 -9.657 4.618 1.00 0.00 O ATOM 561 CB PRO A 37 9.344 -11.858 6.731 1.00 0.00 C ATOM 562 CG PRO A 37 8.144 -11.950 5.797 1.00 0.00 C ATOM 563 CD PRO A 37 7.410 -10.646 6.066 1.00 0.00 C ATOM 0 HA PRO A 37 10.077 -10.044 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.184 -12.443 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.105 -12.242 7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.448 -12.035 4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.523 -12.818 6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.888 -10.300 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.659 -10.773 6.846 1.00 0.00 H new ATOM 571 N LYS A 38 12.015 -10.252 6.117 1.00 0.00 N ATOM 572 CA LYS A 38 13.134 -10.124 5.194 1.00 0.00 C ATOM 573 C LYS A 38 13.115 -11.256 4.169 1.00 0.00 C ATOM 574 O LYS A 38 13.938 -11.287 3.255 1.00 0.00 O ATOM 575 CB LYS A 38 14.442 -10.112 5.985 1.00 0.00 C ATOM 576 CG LYS A 38 14.520 -8.909 6.933 1.00 0.00 C ATOM 577 CD LYS A 38 14.369 -7.597 6.164 1.00 0.00 C ATOM 578 CE LYS A 38 14.647 -6.414 7.082 1.00 0.00 C ATOM 579 NZ LYS A 38 16.044 -6.399 7.549 1.00 0.00 N ATOM 0 H LYS A 38 12.286 -10.500 7.068 1.00 0.00 H new ATOM 0 HA LYS A 38 13.049 -9.186 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.528 -11.034 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.285 -10.086 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.737 -8.985 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.474 -8.918 7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.058 -7.581 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.361 -7.521 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.431 -5.486 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.977 -6.455 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.291 -5.443 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.155 -7.072 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.674 -6.672 6.768 1.00 0.00 H new ATOM 593 N ASP A 39 12.170 -12.190 4.325 1.00 0.00 N ATOM 594 CA ASP A 39 11.902 -13.244 3.361 1.00 0.00 C ATOM 595 C ASP A 39 11.337 -12.654 2.067 1.00 0.00 C ATOM 596 O ASP A 39 11.219 -13.360 1.065 1.00 0.00 O ATOM 597 CB ASP A 39 10.890 -14.215 3.971 1.00 0.00 C ATOM 598 CG ASP A 39 11.537 -15.100 5.029 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.135 -16.127 4.639 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.429 -14.740 6.223 1.00 0.00 O ATOM 0 H ASP A 39 11.562 -12.228 5.143 1.00 0.00 H new ATOM 0 HA ASP A 39 12.829 -13.765 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.068 -13.654 4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.462 -14.838 3.186 1.00 0.00 H new ATOM 605 N VAL A 40 10.990 -11.362 2.085 1.00 0.00 N ATOM 606 CA VAL A 40 10.462 -10.660 0.923 1.00 0.00 C ATOM 607 C VAL A 40 11.071 -9.264 0.840 1.00 0.00 C ATOM 608 O VAL A 40 11.588 -8.738 1.827 1.00 0.00 O ATOM 609 CB VAL A 40 8.924 -10.593 0.971 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.328 -11.977 1.229 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.442 -9.667 2.077 1.00 0.00 C ATOM 0 H VAL A 40 11.071 -10.775 2.915 1.00 0.00 H new ATOM 0 HA VAL A 40 10.737 -11.213 0.025 1.00 0.00 H new ATOM 0 HB VAL A 40 8.597 -10.213 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.241 -11.905 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.625 -12.656 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.693 -12.358 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.352 -9.643 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.802 -10.031 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.826 -8.662 1.903 1.00 0.00 H new ATOM 621 N ALA A 41 11.007 -8.661 -0.347 1.00 0.00 N ATOM 622 CA ALA A 41 11.620 -7.367 -0.590 1.00 0.00 C ATOM 623 C ALA A 41 10.547 -6.313 -0.816 1.00 0.00 C ATOM 624 O ALA A 41 9.493 -6.613 -1.378 1.00 0.00 O ATOM 625 CB ALA A 41 12.522 -7.494 -1.816 1.00 0.00 C ATOM 0 H ALA A 41 10.531 -9.057 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 41 12.211 -7.058 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.995 -6.534 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.290 -8.244 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.925 -7.795 -2.677 1.00 0.00 H new ATOM 631 N VAL A 42 10.810 -5.077 -0.382 1.00 0.00 N ATOM 632 CA VAL A 42 9.883 -3.971 -0.577 1.00 0.00 C ATOM 633 C VAL A 42 10.676 -2.697 -0.850 1.00 0.00 C ATOM 634 O VAL A 42 11.493 -2.282 -0.030 1.00 0.00 O ATOM 635 CB VAL A 42 8.949 -3.811 0.636 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.095 -5.066 0.823 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.700 -3.571 1.949 1.00 0.00 C ATOM 0 H VAL A 42 11.666 -4.821 0.110 1.00 0.00 H new ATOM 0 HA VAL A 42 9.247 -4.179 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 42 8.336 -2.937 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.441 -4.936 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.491 -5.232 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.744 -5.926 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.984 -3.467 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.359 -4.415 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.292 -2.660 1.868 1.00 0.00 H new ATOM 647 N HIS A 43 10.440 -2.065 -2.003 1.00 0.00 N ATOM 648 CA HIS A 43 11.172 -0.854 -2.363 1.00 0.00 C ATOM 649 C HIS A 43 10.397 -0.003 -3.360 1.00 0.00 C ATOM 650 O HIS A 43 9.426 -0.464 -3.966 1.00 0.00 O ATOM 651 CB HIS A 43 12.523 -1.198 -3.004 1.00 0.00 C ATOM 652 CG HIS A 43 13.279 -2.332 -2.366 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.354 -2.186 -1.483 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.035 -3.662 -2.557 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.726 -3.435 -1.163 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.952 -4.337 -1.788 1.00 0.00 N ATOM 0 H HIS A 43 9.755 -2.370 -2.695 1.00 0.00 H new ATOM 0 HA HIS A 43 11.318 -0.299 -1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.355 -1.443 -4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.152 -0.308 -2.981 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.768 -1.314 -1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.273 -4.097 -3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.537 -3.681 -0.494 1.00 0.00 H new ATOM 664 N ARG A 44 10.839 1.248 -3.528 1.00 0.00 N ATOM 665 CA ARG A 44 10.329 2.127 -4.566 1.00 0.00 C ATOM 666 C ARG A 44 10.737 1.567 -5.921 1.00 0.00 C ATOM 667 O ARG A 44 11.705 0.812 -6.010 1.00 0.00 O ATOM 668 CB ARG A 44 10.921 3.526 -4.388 1.00 0.00 C ATOM 669 CG ARG A 44 10.481 4.159 -3.069 1.00 0.00 C ATOM 670 CD ARG A 44 11.238 5.464 -2.820 1.00 0.00 C ATOM 671 NE ARG A 44 11.060 6.412 -3.924 1.00 0.00 N ATOM 672 CZ ARG A 44 12.052 6.873 -4.697 1.00 0.00 C ATOM 673 NH1 ARG A 44 13.311 6.498 -4.501 1.00 0.00 N ATOM 674 NH2 ARG A 44 11.785 7.721 -5.684 1.00 0.00 N ATOM 0 H ARG A 44 11.560 1.672 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 44 9.243 2.190 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.009 3.468 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.612 4.161 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.409 4.353 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.662 3.465 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.889 5.916 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.299 5.251 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 44 10.115 6.744 -4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.538 5.846 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.051 6.862 -5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.825 8.021 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.540 8.072 -6.273 1.00 0.00 H new ATOM 688 N GLU A 45 10.012 1.932 -6.981 1.00 0.00 N ATOM 689 CA GLU A 45 10.349 1.481 -8.325 1.00 0.00 C ATOM 690 C GLU A 45 11.780 1.871 -8.687 1.00 0.00 C ATOM 691 O GLU A 45 12.427 1.206 -9.491 1.00 0.00 O ATOM 692 CB GLU A 45 9.401 2.109 -9.347 1.00 0.00 C ATOM 693 CG GLU A 45 7.943 1.852 -8.981 1.00 0.00 C ATOM 694 CD GLU A 45 7.014 2.268 -10.120 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.926 3.487 -10.380 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.395 1.362 -10.722 1.00 0.00 O ATOM 0 H GLU A 45 9.192 2.536 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 45 10.253 0.395 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.581 3.183 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.607 1.701 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.801 0.795 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.688 2.405 -8.077 1.00 0.00 H new ATOM 703 N GLU A 46 12.277 2.960 -8.093 1.00 0.00 N ATOM 704 CA GLU A 46 13.611 3.468 -8.378 1.00 0.00 C ATOM 705 C GLU A 46 14.704 2.579 -7.785 1.00 0.00 C ATOM 706 O GLU A 46 15.778 2.470 -8.374 1.00 0.00 O ATOM 707 CB GLU A 46 13.712 4.892 -7.836 1.00 0.00 C ATOM 708 CG GLU A 46 15.044 5.536 -8.216 1.00 0.00 C ATOM 709 CD GLU A 46 15.070 7.008 -7.817 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.878 7.283 -6.614 1.00 0.00 O ATOM 711 OE2 GLU A 46 15.279 7.850 -8.719 1.00 0.00 O ATOM 0 H GLU A 46 11.763 3.509 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 46 13.766 3.466 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.891 5.492 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.608 4.879 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.861 5.007 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.204 5.443 -9.290 1.00 0.00 H new ATOM 718 N ILE A 47 14.450 1.942 -6.635 1.00 0.00 N ATOM 719 CA ILE A 47 15.423 1.048 -6.013 1.00 0.00 C ATOM 720 C ILE A 47 15.256 -0.344 -6.606 1.00 0.00 C ATOM 721 O ILE A 47 16.228 -1.081 -6.769 1.00 0.00 O ATOM 722 CB ILE A 47 15.183 0.986 -4.495 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.764 2.181 -3.738 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.839 -0.258 -3.885 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.204 3.514 -4.220 1.00 0.00 C ATOM 0 H ILE A 47 13.575 2.032 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 47 16.431 1.419 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 47 14.098 0.974 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.555 2.068 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.848 2.185 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.654 -0.277 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.417 -1.153 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.913 -0.229 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.652 4.326 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.436 3.645 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.123 3.526 -4.081 1.00 0.00 H new ATOM 737 N TYR A 48 14.011 -0.698 -6.931 1.00 0.00 N ATOM 738 CA TYR A 48 13.645 -2.013 -7.422 1.00 0.00 C ATOM 739 C TYR A 48 14.391 -2.380 -8.703 1.00 0.00 C ATOM 740 O TYR A 48 14.641 -3.557 -8.959 1.00 0.00 O ATOM 741 CB TYR A 48 12.139 -2.008 -7.666 1.00 0.00 C ATOM 742 CG TYR A 48 11.614 -3.301 -8.220 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.287 -4.363 -7.361 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.456 -3.434 -9.604 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.793 -5.561 -7.887 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.970 -4.631 -10.138 1.00 0.00 C ATOM 747 CZ TYR A 48 10.628 -5.701 -9.283 1.00 0.00 C ATOM 748 OH TYR A 48 10.140 -6.861 -9.806 1.00 0.00 O ATOM 0 H TYR A 48 13.219 -0.060 -6.856 1.00 0.00 H new ATOM 0 HA TYR A 48 13.921 -2.764 -6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.628 -1.791 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.894 -1.201 -8.356 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.417 -4.254 -6.294 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.709 -2.613 -10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.538 -6.377 -7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.856 -4.737 -11.207 1.00 0.00 H new ATOM 0 HH TYR A 48 10.090 -6.785 -10.782 1.00 0.00 H new ATOM 1605 N MET C 1 8.575 -2.063 10.625 1.00 0.00 N ATOM 1606 CA MET C 1 7.883 -1.251 9.607 1.00 0.00 C ATOM 1607 C MET C 1 8.890 -0.638 8.646 1.00 0.00 C ATOM 1608 O MET C 1 9.931 -0.149 9.071 1.00 0.00 O ATOM 1609 CB MET C 1 7.068 -0.141 10.272 1.00 0.00 C ATOM 1610 CG MET C 1 6.125 0.565 9.297 1.00 0.00 C ATOM 1611 SD MET C 1 4.563 -0.300 9.036 1.00 0.00 S ATOM 1612 CE MET C 1 3.796 0.149 10.611 1.00 0.00 C ATOM 0 H1 MET C 1 8.203 -1.829 11.568 1.00 0.00 H new ATOM 0 H2 MET C 1 8.416 -3.072 10.431 1.00 0.00 H new ATOM 0 H3 MET C 1 9.595 -1.861 10.596 1.00 0.00 H new ATOM 0 HA MET C 1 7.209 -1.903 9.051 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.487 -0.564 11.091 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.747 0.591 10.708 1.00 0.00 H new ATOM 0 HG2 MET C 1 5.916 1.568 9.670 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.630 0.681 8.338 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.482 -0.755 11.134 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.515 0.692 11.224 1.00 0.00 H new ATOM 0 HE3 MET C 1 2.928 0.781 10.426 1.00 0.00 H new ATOM 1624 N LEU C 2 8.576 -0.663 7.347 1.00 0.00 N ATOM 1625 CA LEU C 2 9.370 -0.014 6.319 1.00 0.00 C ATOM 1626 C LEU C 2 8.453 1.032 5.696 1.00 0.00 C ATOM 1627 O LEU C 2 7.340 0.708 5.290 1.00 0.00 O ATOM 1628 CB LEU C 2 9.859 -1.086 5.335 1.00 0.00 C ATOM 1629 CG LEU C 2 10.747 -0.566 4.200 1.00 0.00 C ATOM 1630 CD1 LEU C 2 9.912 -0.003 3.057 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.733 0.497 4.683 1.00 0.00 C ATOM 0 H LEU C 2 7.752 -1.142 6.984 1.00 0.00 H new ATOM 0 HA LEU C 2 10.267 0.482 6.689 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.412 -1.843 5.891 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.991 -1.581 4.899 1.00 0.00 H new ATOM 0 HG LEU C 2 11.316 -1.422 3.838 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.572 0.358 2.268 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.265 -0.785 2.660 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.301 0.822 3.424 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.342 0.836 3.845 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.183 1.342 5.098 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.379 0.072 5.451 1.00 0.00 H new ATOM 1643 N ILE C 3 8.907 2.281 5.618 1.00 0.00 N ATOM 1644 CA ILE C 3 8.023 3.396 5.308 1.00 0.00 C ATOM 1645 C ILE C 3 8.548 4.216 4.145 1.00 0.00 C ATOM 1646 O ILE C 3 9.752 4.275 3.900 1.00 0.00 O ATOM 1647 CB ILE C 3 7.892 4.262 6.567 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.367 3.391 7.708 1.00 0.00 C ATOM 1649 CG2 ILE C 3 6.970 5.462 6.348 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.495 4.087 9.048 1.00 0.00 C ATOM 0 H ILE C 3 9.882 2.544 5.765 1.00 0.00 H new ATOM 0 HA ILE C 3 7.047 3.014 5.008 1.00 0.00 H new ATOM 0 HB ILE C 3 8.875 4.661 6.816 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.322 3.143 7.525 1.00 0.00 H new ATOM 0 HG13 ILE C 3 7.918 2.451 7.732 1.00 0.00 H new ATOM 0 HG21 ILE C 3 6.908 6.046 7.266 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.368 6.086 5.548 1.00 0.00 H new ATOM 0 HG23 ILE C 3 5.975 5.111 6.073 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.111 3.436 9.834 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.544 4.312 9.243 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.922 5.014 9.033 1.00 0.00 H new ATOM 1662 N LEU C 4 7.607 4.842 3.434 1.00 0.00 N ATOM 1663 CA LEU C 4 7.873 5.663 2.276 1.00 0.00 C ATOM 1664 C LEU C 4 6.886 6.825 2.233 1.00 0.00 C ATOM 1665 O LEU C 4 5.804 6.750 2.817 1.00 0.00 O ATOM 1666 CB LEU C 4 7.703 4.818 1.010 1.00 0.00 C ATOM 1667 CG LEU C 4 8.699 3.659 0.915 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.354 2.822 -0.309 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.128 4.164 0.752 1.00 0.00 C ATOM 0 H LEU C 4 6.615 4.783 3.664 1.00 0.00 H new ATOM 0 HA LEU C 4 8.890 6.050 2.333 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.689 4.419 0.982 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.818 5.459 0.136 1.00 0.00 H new ATOM 0 HG LEU C 4 8.634 3.076 1.834 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.055 1.991 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.341 2.433 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.419 3.441 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.809 3.315 0.688 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.202 4.758 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.396 4.780 1.610 1.00 0.00 H new ATOM 1681 N THR C 5 7.262 7.900 1.541 1.00 0.00 N ATOM 1682 CA THR C 5 6.388 9.039 1.318 1.00 0.00 C ATOM 1683 C THR C 5 6.312 9.253 -0.184 1.00 0.00 C ATOM 1684 O THR C 5 7.342 9.371 -0.847 1.00 0.00 O ATOM 1685 CB THR C 5 6.915 10.278 2.040 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.136 9.995 3.400 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.902 11.417 1.972 1.00 0.00 C ATOM 0 H THR C 5 8.186 8.001 1.120 1.00 0.00 H new ATOM 0 HA THR C 5 5.392 8.853 1.721 1.00 0.00 H new ATOM 0 HB THR C 5 7.844 10.568 1.549 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.869 10.552 3.735 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.299 12.288 2.493 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.711 11.673 0.930 1.00 0.00 H new ATOM 0 HG23 THR C 5 4.971 11.105 2.445 1.00 0.00 H new ATOM 1695 N ARG C 6 5.092 9.305 -0.716 1.00 0.00 N ATOM 1696 CA ARG C 6 4.853 9.350 -2.152 1.00 0.00 C ATOM 1697 C ARG C 6 3.780 10.372 -2.467 1.00 0.00 C ATOM 1698 O ARG C 6 3.336 11.082 -1.568 1.00 0.00 O ATOM 1699 CB ARG C 6 4.429 7.969 -2.650 1.00 0.00 C ATOM 1700 CG ARG C 6 5.313 6.876 -2.052 1.00 0.00 C ATOM 1701 CD ARG C 6 4.996 5.559 -2.742 1.00 0.00 C ATOM 1702 NE ARG C 6 3.557 5.271 -2.756 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.934 4.453 -1.903 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.581 3.881 -0.894 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.639 4.194 -2.064 1.00 0.00 N ATOM 0 H ARG C 6 4.239 9.317 -0.157 1.00 0.00 H new ATOM 0 HA ARG C 6 5.773 9.641 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.388 7.786 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.490 7.936 -3.738 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.365 7.127 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.137 6.792 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.369 5.589 -3.766 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.522 4.750 -2.235 1.00 0.00 H new ATOM 0 HE ARG C 6 2.991 5.729 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.575 4.063 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG C 6 3.084 3.260 -0.256 1.00 0.00 H new ATOM 0 HH21 ARG C 6 1.126 4.619 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG C 6 1.159 3.570 -1.415 1.00 0.00 H new ATOM 1719 N LYS C 7 3.358 10.452 -3.727 1.00 0.00 N ATOM 1720 CA LYS C 7 2.265 11.337 -4.109 1.00 0.00 C ATOM 1721 C LYS C 7 1.255 10.605 -4.962 1.00 0.00 C ATOM 1722 O LYS C 7 1.551 9.543 -5.508 1.00 0.00 O ATOM 1723 CB LYS C 7 2.786 12.586 -4.827 1.00 0.00 C ATOM 1724 CG LYS C 7 3.423 12.276 -6.186 1.00 0.00 C ATOM 1725 CD LYS C 7 3.701 13.564 -6.968 1.00 0.00 C ATOM 1726 CE LYS C 7 4.449 14.573 -6.096 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.796 15.783 -6.860 1.00 0.00 N ATOM 0 H LYS C 7 3.756 9.915 -4.498 1.00 0.00 H new ATOM 0 HA LYS C 7 1.766 11.664 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS C 7 1.963 13.286 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.520 13.083 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.353 11.727 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.761 11.631 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.290 13.336 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS C 7 2.762 13.998 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.832 14.845 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS C 7 5.357 14.115 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.303 16.450 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.404 15.524 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.927 16.231 -7.214 1.00 0.00 H new ATOM 1741 N VAL C 8 0.052 11.169 -5.078 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.990 10.532 -5.863 1.00 0.00 C ATOM 1743 C VAL C 8 -0.527 10.294 -7.297 1.00 0.00 C ATOM 1744 O VAL C 8 -0.211 11.230 -8.031 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.297 11.311 -5.771 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.666 11.389 -4.290 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.230 12.734 -6.320 1.00 0.00 C ATOM 0 H VAL C 8 -0.216 12.052 -4.643 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.193 9.547 -5.443 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.031 10.786 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.599 11.941 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.789 10.382 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.873 11.900 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.204 13.211 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.484 13.303 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.954 12.705 -7.374 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.493 9.015 -7.674 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.073 8.578 -8.996 1.00 0.00 C ATOM 1759 C GLY C 9 1.183 7.706 -8.960 1.00 0.00 C ATOM 1760 O GLY C 9 1.467 7.009 -9.935 1.00 0.00 O ATOM 0 H GLY C 9 -0.761 8.247 -7.058 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.884 8.020 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.114 9.452 -9.620 1.00 0.00 H new ATOM 1764 N GLU C 10 1.945 7.729 -7.858 1.00 0.00 N ATOM 1765 CA GLU C 10 3.161 6.924 -7.750 1.00 0.00 C ATOM 1766 C GLU C 10 2.842 5.446 -7.515 1.00 0.00 C ATOM 1767 O GLU C 10 1.692 5.074 -7.277 1.00 0.00 O ATOM 1768 CB GLU C 10 4.049 7.443 -6.616 1.00 0.00 C ATOM 1769 CG GLU C 10 4.557 8.859 -6.892 1.00 0.00 C ATOM 1770 CD GLU C 10 5.869 9.121 -6.154 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.913 8.633 -6.645 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.815 9.801 -5.108 1.00 0.00 O ATOM 0 H GLU C 10 1.739 8.295 -7.035 1.00 0.00 H new ATOM 0 HA GLU C 10 3.692 7.012 -8.698 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.487 7.434 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.898 6.772 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.704 8.994 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.808 9.586 -6.579 1.00 0.00 H new ATOM 1779 N SER C 11 3.878 4.603 -7.583 1.00 0.00 N ATOM 1780 CA SER C 11 3.759 3.163 -7.395 1.00 0.00 C ATOM 1781 C SER C 11 4.966 2.628 -6.621 1.00 0.00 C ATOM 1782 O SER C 11 5.984 3.311 -6.517 1.00 0.00 O ATOM 1783 CB SER C 11 3.658 2.462 -8.747 1.00 0.00 C ATOM 1784 OG SER C 11 2.482 2.857 -9.422 1.00 0.00 O ATOM 0 H SER C 11 4.832 4.911 -7.773 1.00 0.00 H new ATOM 0 HA SER C 11 2.854 2.961 -6.822 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.531 2.702 -9.354 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.657 1.381 -8.604 1.00 0.00 H new ATOM 0 HG SER C 11 1.735 2.292 -9.135 1.00 0.00 H new ATOM 1790 N ILE C 12 4.835 1.409 -6.088 1.00 0.00 N ATOM 1791 CA ILE C 12 5.817 0.752 -5.227 1.00 0.00 C ATOM 1792 C ILE C 12 5.795 -0.752 -5.516 1.00 0.00 C ATOM 1793 O ILE C 12 4.824 -1.253 -6.076 1.00 0.00 O ATOM 1794 CB ILE C 12 5.455 1.051 -3.761 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.583 2.551 -3.456 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.300 0.259 -2.757 1.00 0.00 C ATOM 1797 CD1 ILE C 12 7.000 3.100 -3.640 1.00 0.00 C ATOM 0 H ILE C 12 4.009 0.833 -6.252 1.00 0.00 H new ATOM 0 HA ILE C 12 6.824 1.122 -5.418 1.00 0.00 H new ATOM 0 HB ILE C 12 4.419 0.735 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.902 3.103 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.264 2.732 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.995 0.516 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.154 -0.809 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.353 0.506 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE C 12 7.011 4.165 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.683 2.575 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.316 2.952 -4.673 1.00 0.00 H new ATOM 1809 N ASN C 13 6.851 -1.480 -5.139 1.00 0.00 N ATOM 1810 CA ASN C 13 6.971 -2.899 -5.443 1.00 0.00 C ATOM 1811 C ASN C 13 7.139 -3.747 -4.182 1.00 0.00 C ATOM 1812 O ASN C 13 7.672 -3.284 -3.171 1.00 0.00 O ATOM 1813 CB ASN C 13 8.161 -3.113 -6.377 1.00 0.00 C ATOM 1814 CG ASN C 13 7.945 -2.450 -7.730 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.598 -1.465 -8.053 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.027 -2.985 -8.528 1.00 0.00 N ATOM 0 H ASN C 13 7.640 -1.099 -4.617 1.00 0.00 H new ATOM 0 HA ASN C 13 6.048 -3.219 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.062 -2.711 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.325 -4.181 -6.518 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.846 -2.575 -9.444 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.503 -3.806 -8.224 1.00 0.00 H new ATOM 1823 N ILE C 14 6.669 -4.995 -4.268 1.00 0.00 N ATOM 1824 CA ILE C 14 6.752 -5.982 -3.197 1.00 0.00 C ATOM 1825 C ILE C 14 7.046 -7.346 -3.820 1.00 0.00 C ATOM 1826 O ILE C 14 6.415 -7.733 -4.807 1.00 0.00 O ATOM 1827 CB ILE C 14 5.430 -6.038 -2.415 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.107 -4.669 -1.797 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.512 -7.127 -1.336 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.812 -4.686 -0.982 1.00 0.00 C ATOM 0 H ILE C 14 6.210 -5.352 -5.106 1.00 0.00 H new ATOM 0 HA ILE C 14 7.546 -5.705 -2.503 1.00 0.00 H new ATOM 0 HB ILE C 14 4.621 -6.289 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.932 -4.359 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.024 -3.926 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.573 -7.164 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.694 -8.093 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.328 -6.899 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.630 -3.695 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.980 -4.968 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.902 -5.408 -0.170 1.00 0.00 H new ATOM 1842 N GLY C 15 8.005 -8.076 -3.247 1.00 0.00 N ATOM 1843 CA GLY C 15 8.401 -9.379 -3.755 1.00 0.00 C ATOM 1844 C GLY C 15 8.763 -9.296 -5.234 1.00 0.00 C ATOM 1845 O GLY C 15 9.328 -8.303 -5.691 1.00 0.00 O ATOM 0 H GLY C 15 8.524 -7.777 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.254 -9.752 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.588 -10.092 -3.614 1.00 0.00 H new ATOM 1849 N ASP C 16 8.432 -10.352 -5.984 1.00 0.00 N ATOM 1850 CA ASP C 16 8.655 -10.415 -7.421 1.00 0.00 C ATOM 1851 C ASP C 16 7.347 -10.715 -8.157 1.00 0.00 C ATOM 1852 O ASP C 16 7.368 -11.089 -9.329 1.00 0.00 O ATOM 1853 CB ASP C 16 9.767 -11.422 -7.738 1.00 0.00 C ATOM 1854 CG ASP C 16 9.395 -12.855 -7.364 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.281 -13.128 -6.146 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.230 -13.672 -8.299 1.00 0.00 O ATOM 0 H ASP C 16 7.998 -11.192 -5.601 1.00 0.00 H new ATOM 0 HA ASP C 16 8.994 -9.444 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.998 -11.378 -8.802 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.673 -11.136 -7.203 1.00 0.00 H new ATOM 1861 N ASP C 17 6.210 -10.556 -7.470 1.00 0.00 N ATOM 1862 CA ASP C 17 4.896 -10.839 -8.031 1.00 0.00 C ATOM 1863 C ASP C 17 3.862 -9.768 -7.673 1.00 0.00 C ATOM 1864 O ASP C 17 2.707 -9.903 -8.069 1.00 0.00 O ATOM 1865 CB ASP C 17 4.396 -12.195 -7.532 1.00 0.00 C ATOM 1866 CG ASP C 17 5.308 -13.343 -7.953 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.302 -13.669 -9.161 1.00 0.00 O ATOM 1868 OD2 ASP C 17 5.998 -13.887 -7.066 1.00 0.00 O ATOM 0 H ASP C 17 6.182 -10.226 -6.505 1.00 0.00 H new ATOM 0 HA ASP C 17 5.011 -10.847 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.322 -12.174 -6.445 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.392 -12.373 -7.917 1.00 0.00 H new ATOM 1873 N ILE C 18 4.234 -8.710 -6.942 1.00 0.00 N ATOM 1874 CA ILE C 18 3.260 -7.713 -6.517 1.00 0.00 C ATOM 1875 C ILE C 18 3.763 -6.294 -6.766 1.00 0.00 C ATOM 1876 O ILE C 18 4.962 -6.018 -6.702 1.00 0.00 O ATOM 1877 CB ILE C 18 2.915 -7.898 -5.030 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.460 -9.324 -4.703 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.799 -6.932 -4.616 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.646 -10.145 -4.193 1.00 0.00 C ATOM 0 H ILE C 18 5.191 -8.529 -6.639 1.00 0.00 H new ATOM 0 HA ILE C 18 2.359 -7.859 -7.113 1.00 0.00 H new ATOM 0 HB ILE C 18 3.831 -7.692 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.672 -9.300 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.037 -9.793 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.566 -7.076 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.127 -5.905 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.909 -7.127 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.315 -11.158 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.420 -10.182 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.049 -9.681 -3.293 1.00 0.00 H new ATOM 1892 N THR C 19 2.816 -5.398 -7.050 1.00 0.00 N ATOM 1893 CA THR C 19 3.050 -3.975 -7.210 1.00 0.00 C ATOM 1894 C THR C 19 1.912 -3.241 -6.506 1.00 0.00 C ATOM 1895 O THR C 19 0.820 -3.790 -6.347 1.00 0.00 O ATOM 1896 CB THR C 19 3.125 -3.622 -8.700 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.185 -4.334 -9.301 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.368 -2.131 -8.937 1.00 0.00 C ATOM 0 H THR C 19 1.838 -5.658 -7.177 1.00 0.00 H new ATOM 0 HA THR C 19 4.000 -3.677 -6.767 1.00 0.00 H new ATOM 0 HB THR C 19 2.163 -3.890 -9.137 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.231 -4.109 -10.254 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.413 -1.935 -10.008 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.554 -1.555 -8.497 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.311 -1.838 -8.475 1.00 0.00 H new ATOM 1906 N ILE C 20 2.166 -2.003 -6.078 1.00 0.00 N ATOM 1907 CA ILE C 20 1.231 -1.196 -5.305 1.00 0.00 C ATOM 1908 C ILE C 20 1.183 0.192 -5.930 1.00 0.00 C ATOM 1909 O ILE C 20 2.170 0.648 -6.505 1.00 0.00 O ATOM 1910 CB ILE C 20 1.713 -1.113 -3.848 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.840 -2.498 -3.195 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.775 -0.229 -3.017 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.500 -3.209 -3.029 1.00 0.00 C ATOM 0 H ILE C 20 3.048 -1.527 -6.265 1.00 0.00 H new ATOM 0 HA ILE C 20 0.235 -1.640 -5.313 1.00 0.00 H new ATOM 0 HB ILE C 20 2.707 -0.666 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.501 -3.119 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.310 -2.390 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE C 20 1.134 -0.183 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.754 0.776 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.230 -0.650 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.659 -4.181 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.156 -2.607 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE C 20 0.038 -3.347 -4.006 1.00 0.00 H new ATOM 1925 N THR C 21 0.036 0.867 -5.824 1.00 0.00 N ATOM 1926 CA THR C 21 -0.150 2.177 -6.424 1.00 0.00 C ATOM 1927 C THR C 21 -1.030 3.040 -5.528 1.00 0.00 C ATOM 1928 O THR C 21 -1.899 2.528 -4.827 1.00 0.00 O ATOM 1929 CB THR C 21 -0.802 2.006 -7.804 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.062 1.091 -8.579 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.863 3.321 -8.575 1.00 0.00 C ATOM 0 H THR C 21 -0.781 0.518 -5.322 1.00 0.00 H new ATOM 0 HA THR C 21 0.815 2.670 -6.537 1.00 0.00 H new ATOM 0 HB THR C 21 -1.816 1.645 -7.629 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.486 0.987 -9.456 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.331 3.153 -9.545 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.448 4.047 -8.010 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.147 3.704 -8.722 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.803 4.355 -5.551 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.624 5.318 -4.831 1.00 0.00 C ATOM 1941 C ILE C 22 -2.456 6.060 -5.875 1.00 0.00 C ATOM 1942 O ILE C 22 -2.020 7.070 -6.422 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.742 6.231 -3.959 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.497 7.456 -3.428 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.495 6.730 -4.702 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.733 7.059 -2.635 1.00 0.00 C ATOM 0 H ILE C 22 -0.038 4.780 -6.075 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.304 4.838 -4.127 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.440 5.600 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.833 8.046 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.790 8.092 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE C 22 1.082 7.369 -4.043 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.099 5.879 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.188 7.299 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.239 7.956 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.409 6.492 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.438 6.445 -1.784 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.661 5.550 -6.154 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.477 6.092 -7.230 1.00 0.00 C ATOM 1960 C LEU C 23 -4.876 7.529 -6.903 1.00 0.00 C ATOM 1961 O LEU C 23 -5.061 8.340 -7.810 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.731 5.241 -7.464 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.545 3.743 -7.215 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.872 3.040 -7.485 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.489 3.120 -8.125 1.00 0.00 C ATOM 0 H LEU C 23 -4.084 4.770 -5.651 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.885 6.076 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.527 5.607 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.065 5.386 -8.492 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.215 3.621 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.758 1.970 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.636 3.436 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.171 3.211 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.400 2.056 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.783 3.251 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.529 3.608 -7.955 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.007 7.845 -5.612 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.256 9.206 -5.167 1.00 0.00 C ATOM 1979 C GLY C 24 -5.885 9.244 -3.781 1.00 0.00 C ATOM 1980 O GLY C 24 -5.931 8.226 -3.093 1.00 0.00 O ATOM 0 H GLY C 24 -4.943 7.165 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.318 9.761 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.914 9.706 -5.878 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.375 10.418 -3.371 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.052 10.562 -2.084 1.00 0.00 C ATOM 1986 C VAL C 25 -8.458 11.117 -2.294 1.00 0.00 C ATOM 1987 O VAL C 25 -8.808 11.545 -3.393 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.240 11.416 -1.093 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.746 11.089 -1.145 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.419 12.914 -1.337 1.00 0.00 C ATOM 0 H VAL C 25 -6.314 11.280 -3.913 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.136 9.574 -1.632 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.631 11.166 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.212 11.715 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.594 10.039 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.366 11.280 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.827 13.474 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.087 13.161 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.471 13.178 -1.226 1.00 0.00 H new ATOM 2000 N SER C 26 -9.257 11.104 -1.225 1.00 0.00 N ATOM 2001 CA SER C 26 -10.646 11.533 -1.249 1.00 0.00 C ATOM 2002 C SER C 26 -11.003 12.117 0.112 1.00 0.00 C ATOM 2003 O SER C 26 -12.047 11.810 0.686 1.00 0.00 O ATOM 2004 CB SER C 26 -11.524 10.325 -1.572 1.00 0.00 C ATOM 2005 OG SER C 26 -11.639 10.158 -2.971 1.00 0.00 O ATOM 0 H SER C 26 -8.946 10.789 -0.306 1.00 0.00 H new ATOM 0 HA SER C 26 -10.805 12.298 -2.009 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.096 9.427 -1.126 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.513 10.459 -1.133 1.00 0.00 H new ATOM 0 HG SER C 26 -10.844 10.525 -3.411 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.117 12.969 0.632 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.225 13.489 1.983 1.00 0.00 C ATOM 2013 C GLY C 27 -9.185 12.782 2.840 1.00 0.00 C ATOM 2014 O GLY C 27 -8.081 12.495 2.377 1.00 0.00 O ATOM 0 H GLY C 27 -9.305 13.314 0.121 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -10.058 14.566 1.992 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.226 13.318 2.379 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.539 12.501 4.095 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.687 11.717 4.969 1.00 0.00 C ATOM 2020 C GLN C 28 -8.761 10.231 4.628 1.00 0.00 C ATOM 2021 O GLN C 28 -8.172 9.415 5.331 1.00 0.00 O ATOM 2022 CB GLN C 28 -9.067 11.983 6.421 1.00 0.00 C ATOM 2023 CG GLN C 28 -8.195 13.117 6.965 1.00 0.00 C ATOM 2024 CD GLN C 28 -8.381 14.388 6.140 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -9.283 15.174 6.410 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -7.532 14.594 5.134 1.00 0.00 N ATOM 0 H GLN C 28 -10.412 12.808 4.523 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.650 12.020 4.821 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -10.121 12.252 6.491 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.928 11.082 7.018 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -8.453 13.313 8.006 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -7.147 12.817 6.947 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -6.795 13.916 4.942 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -7.619 15.430 4.556 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.480 9.873 3.560 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.430 8.525 3.023 1.00 0.00 C ATOM 2037 C GLN C 29 -8.530 8.525 1.797 1.00 0.00 C ATOM 2038 O GLN C 29 -8.311 9.565 1.174 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.819 7.977 2.691 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.552 8.831 1.660 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.761 8.105 1.076 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -12.931 8.047 -0.137 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.614 7.548 1.929 1.00 0.00 N ATOM 0 H GLN C 29 -10.102 10.504 3.055 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.021 7.861 3.784 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.724 6.959 2.313 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.413 7.924 3.603 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.877 9.762 2.125 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.866 9.098 0.856 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.446 7.612 2.933 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.436 7.056 1.580 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.005 7.355 1.449 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.008 7.229 0.404 1.00 0.00 C ATOM 2054 C VAL C 30 -7.321 6.002 -0.439 1.00 0.00 C ATOM 2055 O VAL C 30 -7.610 4.944 0.112 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.628 7.097 1.069 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.526 7.004 0.023 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.327 8.307 1.962 1.00 0.00 C ATOM 0 H VAL C 30 -8.262 6.470 1.886 1.00 0.00 H new ATOM 0 HA VAL C 30 -7.012 8.104 -0.247 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.653 6.188 1.670 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.560 6.911 0.519 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.695 6.131 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.532 7.903 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.345 8.186 2.419 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.338 9.215 1.360 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.084 8.380 2.743 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.259 6.142 -1.765 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.485 5.033 -2.675 1.00 0.00 C ATOM 2070 C ARG C 31 -6.145 4.466 -3.094 1.00 0.00 C ATOM 2071 O ARG C 31 -5.359 5.133 -3.772 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.268 5.469 -3.918 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.769 5.462 -3.637 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.541 5.360 -4.952 1.00 0.00 C ATOM 2075 NE ARG C 31 -10.260 6.497 -5.829 1.00 0.00 N ATOM 2076 CZ ARG C 31 -10.422 6.473 -7.156 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -10.887 5.384 -7.766 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -10.118 7.539 -7.887 1.00 0.00 N ATOM 0 H ARG C 31 -7.051 7.026 -2.230 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.078 4.278 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.954 6.468 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.045 4.799 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -10.023 4.623 -2.989 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -10.053 6.371 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.275 4.433 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.610 5.315 -4.745 1.00 0.00 H new ATOM 0 HE ARG C 31 -9.920 7.359 -5.403 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.124 4.556 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.006 5.378 -8.779 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -9.759 8.381 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -10.243 7.516 -8.899 1.00 0.00 H new ATOM 2092 N ILE C 32 -5.908 3.225 -2.677 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.671 2.514 -2.933 1.00 0.00 C ATOM 2094 C ILE C 32 -5.017 1.269 -3.737 1.00 0.00 C ATOM 2095 O ILE C 32 -6.005 0.593 -3.453 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.001 2.158 -1.599 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.790 3.433 -0.766 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.667 1.448 -1.847 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.166 3.143 0.598 1.00 0.00 C ATOM 0 H ILE C 32 -6.586 2.681 -2.143 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.967 3.125 -3.498 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.649 1.480 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.149 4.121 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.748 3.934 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.203 1.201 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.842 0.533 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.006 2.104 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.038 4.077 1.146 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.819 2.477 1.163 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.195 2.668 0.460 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.195 0.972 -4.743 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.419 -0.154 -5.624 1.00 0.00 C ATOM 2113 C GLY C 33 -3.328 -1.192 -5.431 1.00 0.00 C ATOM 2114 O GLY C 33 -2.246 -0.894 -4.932 1.00 0.00 O ATOM 0 H GLY C 33 -3.357 1.511 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.394 -0.597 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.433 0.182 -6.661 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.635 -2.422 -5.836 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.754 -3.559 -5.691 1.00 0.00 C ATOM 2120 C ILE C 34 -2.774 -4.306 -7.014 1.00 0.00 C ATOM 2121 O ILE C 34 -3.794 -4.334 -7.704 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.239 -4.442 -4.530 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.338 -3.609 -3.243 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.266 -5.607 -4.323 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.009 -4.388 -2.109 1.00 0.00 C ATOM 0 H ILE C 34 -4.523 -2.652 -6.282 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.734 -3.255 -5.456 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.225 -4.838 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.340 -3.302 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -3.903 -2.699 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.614 -6.230 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.215 -6.205 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.275 -5.217 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.059 -3.763 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.017 -4.672 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.429 -5.285 -1.891 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.645 -4.911 -7.364 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.482 -5.578 -8.636 1.00 0.00 C ATOM 2139 C ASN C 35 -0.715 -6.872 -8.404 1.00 0.00 C ATOM 2140 O ASN C 35 0.516 -6.886 -8.420 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.767 -4.644 -9.609 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.643 -5.240 -11.008 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.217 -6.280 -11.305 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.112 -4.576 -11.874 1.00 0.00 N ATOM 0 H ASN C 35 -0.819 -4.949 -6.767 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.446 -5.828 -9.079 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.310 -3.700 -9.667 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.228 -4.417 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.230 -4.929 -12.824 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.575 -3.713 -11.590 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.461 -7.953 -8.181 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.893 -9.256 -7.867 1.00 0.00 C ATOM 2153 C ALA C 36 -1.665 -10.373 -8.566 1.00 0.00 C ATOM 2154 O ALA C 36 -2.827 -10.191 -8.930 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.969 -9.459 -6.354 1.00 0.00 C ATOM 0 H ALA C 36 -2.480 -7.946 -8.214 1.00 0.00 H new ATOM 0 HA ALA C 36 0.140 -9.290 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.548 -10.431 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.403 -8.674 -5.853 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.010 -9.418 -6.033 1.00 0.00 H new ATOM 2161 N PRO C 37 -1.021 -11.532 -8.757 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.653 -12.742 -9.249 1.00 0.00 C ATOM 2163 C PRO C 37 -2.602 -13.319 -8.212 1.00 0.00 C ATOM 2164 O PRO C 37 -2.491 -13.034 -7.020 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.502 -13.722 -9.484 1.00 0.00 C ATOM 2166 CG PRO C 37 0.599 -13.250 -8.538 1.00 0.00 C ATOM 2167 CD PRO C 37 0.391 -11.746 -8.500 1.00 0.00 C ATOM 0 HA PRO C 37 -2.237 -12.549 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.802 -14.747 -9.265 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.169 -13.702 -10.522 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.501 -13.697 -7.549 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.590 -13.512 -8.909 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.678 -11.337 -7.531 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.004 -11.248 -9.251 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.545 -14.152 -8.668 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.423 -14.895 -7.775 1.00 0.00 C ATOM 2177 C LYS C 38 -3.621 -15.918 -6.972 1.00 0.00 C ATOM 2178 O LYS C 38 -4.178 -16.636 -6.144 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.528 -15.574 -8.589 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.422 -14.560 -9.306 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.028 -13.560 -8.319 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.110 -12.731 -9.000 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.265 -13.563 -9.393 1.00 0.00 N ATOM 0 H LYS C 38 -3.715 -14.325 -9.659 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.887 -14.207 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.078 -16.242 -9.323 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.138 -16.190 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.840 -14.026 -10.057 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.220 -15.083 -9.833 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.451 -14.091 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.249 -12.904 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.442 -11.941 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.695 -12.244 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.110 -12.963 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -9.067 -14.023 -10.304 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.433 -14.289 -8.668 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.310 -15.973 -7.225 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.364 -16.789 -6.481 1.00 0.00 C ATOM 2199 C ASP C 39 -1.224 -16.274 -5.042 1.00 0.00 C ATOM 2200 O ASP C 39 -0.632 -16.945 -4.200 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.014 -16.711 -7.192 1.00 0.00 C ATOM 2202 CG ASP C 39 0.884 -17.896 -6.837 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.466 -19.037 -7.122 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.979 -17.650 -6.282 1.00 0.00 O ATOM 0 H ASP C 39 -1.873 -15.435 -7.973 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.717 -17.820 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.172 -16.685 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.487 -15.782 -6.921 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.769 -15.080 -4.771 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.703 -14.443 -3.465 1.00 0.00 C ATOM 2211 C VAL C 40 -3.050 -13.802 -3.144 1.00 0.00 C ATOM 2212 O VAL C 40 -3.857 -13.549 -4.039 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.570 -13.402 -3.429 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.723 -13.968 -4.022 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.919 -12.139 -4.209 1.00 0.00 C ATOM 0 H VAL C 40 -2.272 -14.529 -5.467 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.484 -15.195 -2.707 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.433 -13.153 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.504 -13.209 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL C 40 1.035 -14.840 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.551 -14.258 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.088 -11.436 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.108 -12.396 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.811 -11.682 -3.781 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.294 -13.532 -1.860 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.548 -12.961 -1.408 1.00 0.00 C ATOM 2227 C ALA C 41 -4.339 -11.506 -1.007 1.00 0.00 C ATOM 2228 O ALA C 41 -3.291 -11.162 -0.468 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.037 -13.781 -0.214 1.00 0.00 C ATOM 0 H ALA C 41 -2.624 -13.706 -1.111 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.291 -12.988 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.981 -13.372 0.146 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.184 -14.817 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.296 -13.740 0.584 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.330 -10.646 -1.267 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.245 -9.238 -0.885 1.00 0.00 C ATOM 2237 C VAL C 42 -6.616 -8.732 -0.456 1.00 0.00 C ATOM 2238 O VAL C 42 -7.587 -8.825 -1.207 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.670 -8.390 -2.035 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.247 -8.838 -2.380 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.494 -8.473 -3.322 1.00 0.00 C ATOM 0 H VAL C 42 -6.197 -10.903 -1.739 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.564 -9.144 -0.039 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.690 -7.363 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.860 -8.226 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.607 -8.724 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.259 -9.884 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.033 -7.852 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.530 -9.507 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.507 -8.119 -3.129 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.703 -8.192 0.763 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.961 -7.672 1.293 1.00 0.00 C ATOM 2253 C HIS C 43 -7.691 -6.642 2.386 1.00 0.00 C ATOM 2254 O HIS C 43 -6.589 -6.584 2.930 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.797 -8.799 1.919 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.743 -10.129 1.211 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.673 -10.576 0.269 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.785 -11.086 1.387 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.255 -11.800 -0.093 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.127 -12.131 0.560 1.00 0.00 N ATOM 0 H HIS C 43 -5.912 -8.105 1.401 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.501 -7.219 0.461 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.466 -8.943 2.947 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.836 -8.474 1.962 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.495 -10.078 -0.072 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.930 -11.033 2.044 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.756 -12.432 -0.811 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.699 -5.824 2.713 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.627 -4.961 3.884 1.00 0.00 C ATOM 2270 C ARG C 44 -8.800 -5.831 5.124 1.00 0.00 C ATOM 2271 O ARG C 44 -9.318 -6.943 5.028 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.683 -3.852 3.821 1.00 0.00 C ATOM 2273 CG ARG C 44 -11.096 -4.409 3.668 1.00 0.00 C ATOM 2274 CD ARG C 44 -12.127 -3.280 3.711 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.467 -3.786 3.389 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.611 -3.335 3.914 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -14.624 -2.362 4.817 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.767 -3.866 3.525 1.00 0.00 N ATOM 0 H ARG C 44 -9.567 -5.746 2.183 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.659 -4.461 3.920 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.628 -3.249 4.727 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.463 -3.190 2.984 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.180 -4.949 2.725 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.299 -5.125 4.465 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -12.133 -2.825 4.701 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.848 -2.499 3.003 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.530 -4.544 2.709 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.748 -1.941 5.125 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -15.510 -2.036 5.202 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.777 -4.613 2.830 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -16.643 -3.527 3.922 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.374 -5.339 6.287 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.476 -6.104 7.529 1.00 0.00 C ATOM 2294 C GLU C 45 -9.885 -6.646 7.727 1.00 0.00 C ATOM 2295 O GLU C 45 -10.069 -7.755 8.220 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.138 -5.206 8.725 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.724 -4.652 8.615 1.00 0.00 C ATOM 2298 CD GLU C 45 -6.342 -3.901 9.888 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.880 -2.786 10.080 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -5.517 -4.444 10.659 1.00 0.00 O ATOM 0 H GLU C 45 -7.955 -4.415 6.395 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.774 -6.936 7.462 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.851 -4.383 8.778 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.238 -5.774 9.650 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.021 -5.467 8.442 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.655 -3.983 7.757 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.880 -5.856 7.333 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.286 -6.163 7.548 1.00 0.00 C ATOM 2309 C GLU C 46 -12.762 -7.392 6.771 1.00 0.00 C ATOM 2310 O GLU C 46 -13.850 -7.898 7.040 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.116 -4.933 7.183 1.00 0.00 C ATOM 2312 CG GLU C 46 -12.581 -3.731 7.960 1.00 0.00 C ATOM 2313 CD GLU C 46 -13.394 -2.476 7.682 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.496 -2.352 8.257 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -12.897 -1.643 6.889 1.00 0.00 O ATOM 0 H GLU C 46 -10.727 -4.972 6.848 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.418 -6.413 8.601 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.061 -4.745 6.111 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -14.166 -5.101 7.423 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -12.602 -3.949 9.028 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -11.539 -3.557 7.690 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.957 -7.866 5.815 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.219 -9.111 5.100 1.00 0.00 C ATOM 2324 C ILE C 47 -11.195 -10.154 5.537 1.00 0.00 C ATOM 2325 O ILE C 47 -11.533 -11.326 5.704 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.124 -8.898 3.579 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.412 -8.354 2.960 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.853 -10.225 2.859 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.785 -6.978 3.491 1.00 0.00 C ATOM 0 H ILE C 47 -11.104 -7.393 5.517 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.228 -9.451 5.334 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.316 -8.178 3.452 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.296 -8.302 1.877 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.228 -9.049 3.160 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.790 -10.050 1.785 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.912 -10.646 3.214 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.664 -10.923 3.066 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.707 -6.643 3.016 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.931 -7.032 4.570 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.985 -6.273 3.268 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.945 -9.726 5.723 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.840 -10.603 6.073 1.00 0.00 C ATOM 2343 C TYR C 48 -9.110 -11.358 7.373 1.00 0.00 C ATOM 2344 O TYR C 48 -8.663 -12.492 7.542 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.595 -9.733 6.214 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.363 -10.500 6.629 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.572 -11.148 5.667 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.016 -10.558 7.986 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.422 -11.845 6.060 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.871 -11.257 8.385 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.062 -11.898 7.421 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.937 -12.567 7.805 1.00 0.00 O ATOM 0 H TYR C 48 -9.674 -8.747 5.632 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.706 -11.355 5.295 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.400 -9.236 5.264 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.790 -8.951 6.948 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.850 -11.109 4.624 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.632 -10.064 8.723 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.812 -12.341 5.320 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.606 -11.306 9.431 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.835 -12.504 8.778 1.00 0.00 H new