USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 270 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 Single : A 1 ASP N :NH3+ 177:sc= 0 (180deg=-0.00685) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.31) USER MOD Single : A 14 HIS : no HD1:sc= -7.13! C(o=-7.1!,f=-4.9!) USER MOD Single : A 15 GLN : amide:sc= -3.08! K(o=-3.1!,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.626! X(o=-0.63!,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -149:sc= -1.91! (180deg=-2.61!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -10.827 -12.260 -3.309 1.00 0.00 N ATOM 2 CA ASP A 1 -11.064 -11.512 -2.087 1.00 0.00 C ATOM 3 C ASP A 1 -10.248 -10.217 -2.119 1.00 0.00 C ATOM 4 O ASP A 1 -9.031 -10.252 -2.297 1.00 0.00 O ATOM 5 CB ASP A 1 -10.628 -12.314 -0.858 1.00 0.00 C ATOM 6 CG ASP A 1 -9.137 -12.649 -0.800 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.775 -13.719 -1.337 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.392 -11.831 -0.219 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.340 -13.164 -3.268 1.00 0.00 H new ATOM 0 H2 ASP A 1 -11.162 -11.708 -4.124 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.809 -12.445 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 1 -12.132 -11.302 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -10.894 -11.752 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.195 -13.244 -0.830 1.00 0.00 H new ATOM 12 N ALA A 2 -10.951 -9.108 -1.947 1.00 0.00 N ATOM 13 CA ALA A 2 -10.307 -7.806 -1.954 1.00 0.00 C ATOM 14 C ALA A 2 -11.140 -6.825 -1.124 1.00 0.00 C ATOM 15 O ALA A 2 -11.608 -7.166 -0.040 1.00 0.00 O ATOM 16 CB ALA A 2 -10.122 -7.336 -3.398 1.00 0.00 C ATOM 0 H ALA A 2 -11.960 -9.084 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.318 -7.865 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.639 -6.359 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.500 -8.051 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.095 -7.262 -3.884 1.00 0.00 H new ATOM 22 N GLU A 3 -11.299 -5.627 -1.666 1.00 0.00 N ATOM 23 CA GLU A 3 -12.067 -4.595 -0.991 1.00 0.00 C ATOM 24 C GLU A 3 -12.163 -3.344 -1.868 1.00 0.00 C ATOM 25 O GLU A 3 -13.230 -2.748 -1.989 1.00 0.00 O ATOM 26 CB GLU A 3 -11.457 -4.263 0.373 1.00 0.00 C ATOM 27 CG GLU A 3 -12.547 -4.097 1.434 1.00 0.00 C ATOM 28 CD GLU A 3 -11.958 -3.577 2.747 1.00 0.00 C ATOM 29 OE1 GLU A 3 -10.947 -4.166 3.188 1.00 0.00 O ATOM 30 OE2 GLU A 3 -12.533 -2.605 3.281 1.00 0.00 O ATOM 0 H GLU A 3 -10.909 -5.348 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.075 -4.973 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.771 -5.056 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.872 -3.346 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.308 -3.405 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.041 -5.053 1.606 1.00 0.00 H new ATOM 35 N PHE A 4 -11.032 -2.986 -2.456 1.00 0.00 N ATOM 36 CA PHE A 4 -10.975 -1.817 -3.318 1.00 0.00 C ATOM 37 C PHE A 4 -11.971 -1.939 -4.473 1.00 0.00 C ATOM 38 O PHE A 4 -12.497 -0.936 -4.952 1.00 0.00 O ATOM 39 CB PHE A 4 -9.556 -1.751 -3.888 1.00 0.00 C ATOM 40 CG PHE A 4 -8.494 -1.332 -2.869 1.00 0.00 C ATOM 41 CD1 PHE A 4 -7.934 -2.263 -2.051 1.00 0.00 C ATOM 42 CD2 PHE A 4 -8.111 -0.029 -2.782 1.00 0.00 C ATOM 43 CE1 PHE A 4 -6.949 -1.875 -1.104 1.00 0.00 C ATOM 44 CE2 PHE A 4 -7.126 0.357 -1.836 1.00 0.00 C ATOM 45 CZ PHE A 4 -6.566 -0.572 -1.017 1.00 0.00 C ATOM 0 H PHE A 4 -10.148 -3.484 -2.353 1.00 0.00 H new ATOM 0 HA PHE A 4 -11.227 -0.922 -2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.292 -2.729 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.543 -1.048 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.238 -3.297 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.556 0.710 -3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.504 -2.614 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.821 1.391 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.817 -0.276 -0.297 1.00 0.00 H new ATOM 54 N ARG A 5 -12.199 -3.177 -4.887 1.00 0.00 N ATOM 55 CA ARG A 5 -13.123 -3.442 -5.978 1.00 0.00 C ATOM 56 C ARG A 5 -14.562 -3.175 -5.531 1.00 0.00 C ATOM 57 O ARG A 5 -15.392 -2.746 -6.329 1.00 0.00 O ATOM 58 CB ARG A 5 -13.004 -4.890 -6.458 1.00 0.00 C ATOM 59 CG ARG A 5 -14.143 -5.748 -5.901 1.00 0.00 C ATOM 60 CD ARG A 5 -13.900 -7.231 -6.181 1.00 0.00 C ATOM 61 NE ARG A 5 -14.313 -8.041 -5.012 1.00 0.00 N ATOM 62 CZ ARG A 5 -13.878 -9.284 -4.769 1.00 0.00 C ATOM 63 NH1 ARG A 5 -13.014 -9.868 -5.610 1.00 0.00 N ATOM 64 NH2 ARG A 5 -14.306 -9.944 -3.684 1.00 0.00 N ATOM 0 H ARG A 5 -11.761 -4.007 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.866 -2.776 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.022 -4.918 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.046 -5.303 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.232 -5.587 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -15.088 -5.440 -6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.460 -7.539 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.845 -7.401 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.970 -7.626 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.687 -9.366 -6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.683 -10.815 -5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.963 -9.500 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.974 -10.891 -3.499 1.00 0.00 H new ATOM 75 N HIS A 6 -14.810 -3.442 -4.258 1.00 0.00 N ATOM 76 CA HIS A 6 -16.135 -3.237 -3.694 1.00 0.00 C ATOM 77 C HIS A 6 -16.299 -1.770 -3.293 1.00 0.00 C ATOM 78 O HIS A 6 -17.397 -1.219 -3.371 1.00 0.00 O ATOM 79 CB HIS A 6 -16.389 -4.201 -2.536 1.00 0.00 C ATOM 80 CG HIS A 6 -17.672 -4.986 -2.659 1.00 0.00 C ATOM 81 ND1 HIS A 6 -17.745 -6.205 -3.310 1.00 0.00 N ATOM 82 CD2 HIS A 6 -18.930 -4.716 -2.207 1.00 0.00 C ATOM 83 CE1 HIS A 6 -18.995 -6.639 -3.247 1.00 0.00 C ATOM 84 NE2 HIS A 6 -19.729 -5.714 -2.565 1.00 0.00 N ATOM 0 H HIS A 6 -14.117 -3.799 -3.600 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.893 -3.460 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.554 -4.898 -2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.409 -3.636 -1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -19.226 -3.838 -1.652 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.368 -7.563 -3.663 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -20.727 -5.778 -2.363 1.00 0.00 H new ATOM 92 N ASP A 7 -15.191 -1.177 -2.872 1.00 0.00 N ATOM 93 CA ASP A 7 -15.199 0.216 -2.458 1.00 0.00 C ATOM 94 C ASP A 7 -16.153 1.006 -3.357 1.00 0.00 C ATOM 95 O ASP A 7 -17.323 1.182 -3.023 1.00 0.00 O ATOM 96 CB ASP A 7 -13.806 0.837 -2.586 1.00 0.00 C ATOM 97 CG ASP A 7 -13.105 1.131 -1.258 1.00 0.00 C ATOM 98 OD1 ASP A 7 -13.793 1.029 -0.220 1.00 0.00 O ATOM 99 OD2 ASP A 7 -11.898 1.451 -1.313 1.00 0.00 O ATOM 0 H ASP A 7 -14.282 -1.636 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 7 -15.518 0.256 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.177 0.165 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.889 1.766 -3.149 1.00 0.00 H new ATOM 103 N SER A 8 -15.616 1.461 -4.479 1.00 0.00 N ATOM 104 CA SER A 8 -16.405 2.227 -5.430 1.00 0.00 C ATOM 105 C SER A 8 -16.733 3.603 -4.845 1.00 0.00 C ATOM 106 O SER A 8 -16.578 4.621 -5.520 1.00 0.00 O ATOM 107 CB SER A 8 -17.691 1.489 -5.800 1.00 0.00 C ATOM 108 OG SER A 8 -18.779 2.384 -6.015 1.00 0.00 O ATOM 0 H SER A 8 -14.644 1.314 -4.752 1.00 0.00 H new ATOM 0 HA SER A 8 -15.818 2.354 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.524 0.899 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.949 0.790 -5.005 1.00 0.00 H new ATOM 0 HG SER A 8 -19.581 1.873 -6.251 1.00 0.00 H new ATOM 113 N GLY A 9 -17.179 3.592 -3.599 1.00 0.00 N ATOM 114 CA GLY A 9 -17.531 4.826 -2.916 1.00 0.00 C ATOM 115 C GLY A 9 -16.281 5.538 -2.394 1.00 0.00 C ATOM 116 O GLY A 9 -16.372 6.399 -1.520 1.00 0.00 O ATOM 0 H GLY A 9 -17.305 2.747 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -18.070 5.483 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -18.203 4.608 -2.086 1.00 0.00 H new ATOM 120 N TYR A 10 -15.143 5.154 -2.955 1.00 0.00 N ATOM 121 CA TYR A 10 -13.877 5.746 -2.556 1.00 0.00 C ATOM 122 C TYR A 10 -12.736 5.255 -3.452 1.00 0.00 C ATOM 123 O TYR A 10 -11.834 6.020 -3.788 1.00 0.00 O ATOM 124 CB TYR A 10 -13.623 5.274 -1.122 1.00 0.00 C ATOM 125 CG TYR A 10 -14.743 4.406 -0.547 1.00 0.00 C ATOM 126 CD1 TYR A 10 -15.204 3.315 -1.254 1.00 0.00 C ATOM 127 CD2 TYR A 10 -15.291 4.713 0.682 1.00 0.00 C ATOM 128 CE1 TYR A 10 -16.257 2.497 -0.712 1.00 0.00 C ATOM 129 CE2 TYR A 10 -16.345 3.895 1.225 1.00 0.00 C ATOM 130 CZ TYR A 10 -16.776 2.828 0.501 1.00 0.00 C ATOM 131 OH TYR A 10 -17.772 2.055 1.014 1.00 0.00 O ATOM 0 H TYR A 10 -15.071 4.441 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.919 6.832 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.690 4.711 -1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.487 6.146 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.774 3.074 -2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.930 5.566 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.627 1.640 -1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.783 4.124 2.185 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.045 2.409 1.886 1.00 0.00 H new ATOM 140 N GLU A 11 -12.816 3.982 -3.811 1.00 0.00 N ATOM 141 CA GLU A 11 -11.802 3.382 -4.662 1.00 0.00 C ATOM 142 C GLU A 11 -11.336 4.382 -5.720 1.00 0.00 C ATOM 143 O GLU A 11 -10.140 4.641 -5.849 1.00 0.00 O ATOM 144 CB GLU A 11 -12.323 2.098 -5.311 1.00 0.00 C ATOM 145 CG GLU A 11 -13.395 2.409 -6.357 1.00 0.00 C ATOM 146 CD GLU A 11 -13.979 1.122 -6.943 1.00 0.00 C ATOM 147 OE1 GLU A 11 -14.250 0.204 -6.138 1.00 0.00 O ATOM 148 OE2 GLU A 11 -14.142 1.084 -8.181 1.00 0.00 O ATOM 0 H GLU A 11 -13.566 3.350 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.946 3.116 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.497 1.562 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.736 1.441 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.191 3.000 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.965 3.014 -7.155 1.00 0.00 H new ATOM 153 N VAL A 12 -12.303 4.918 -6.449 1.00 0.00 N ATOM 154 CA VAL A 12 -12.006 5.884 -7.493 1.00 0.00 C ATOM 155 C VAL A 12 -11.452 7.161 -6.857 1.00 0.00 C ATOM 156 O VAL A 12 -10.521 7.767 -7.384 1.00 0.00 O ATOM 157 CB VAL A 12 -13.252 6.133 -8.346 1.00 0.00 C ATOM 158 CG1 VAL A 12 -14.327 6.868 -7.545 1.00 0.00 C ATOM 159 CG2 VAL A 12 -12.898 6.900 -9.622 1.00 0.00 C ATOM 0 H VAL A 12 -13.294 4.702 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.241 5.497 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.657 5.164 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.201 7.032 -8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.610 6.268 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.937 7.828 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.801 7.064 -10.210 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.457 7.861 -9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.183 6.322 -10.208 1.00 0.00 H new ATOM 169 N HIS A 13 -12.049 7.530 -5.734 1.00 0.00 N ATOM 170 CA HIS A 13 -11.627 8.724 -5.021 1.00 0.00 C ATOM 171 C HIS A 13 -10.197 8.537 -4.509 1.00 0.00 C ATOM 172 O HIS A 13 -9.277 9.212 -4.967 1.00 0.00 O ATOM 173 CB HIS A 13 -12.616 9.069 -3.905 1.00 0.00 C ATOM 174 CG HIS A 13 -13.432 10.312 -4.171 1.00 0.00 C ATOM 175 ND1 HIS A 13 -14.573 10.627 -3.453 1.00 0.00 N ATOM 176 CD2 HIS A 13 -13.261 11.313 -5.082 1.00 0.00 C ATOM 177 CE1 HIS A 13 -15.058 11.768 -3.920 1.00 0.00 C ATOM 178 NE2 HIS A 13 -14.244 12.191 -4.928 1.00 0.00 N ATOM 0 H HIS A 13 -12.821 7.024 -5.300 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.624 9.576 -5.701 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.292 8.227 -3.760 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.066 9.200 -2.973 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.462 11.380 -5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.943 12.274 -3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -14.370 13.043 -5.475 1.00 0.00 H new ATOM 186 N HIS A 14 -10.056 7.619 -3.563 1.00 0.00 N ATOM 187 CA HIS A 14 -8.754 7.334 -2.985 1.00 0.00 C ATOM 188 C HIS A 14 -7.670 7.505 -4.049 1.00 0.00 C ATOM 189 O HIS A 14 -6.673 8.190 -3.821 1.00 0.00 O ATOM 190 CB HIS A 14 -8.739 5.948 -2.339 1.00 0.00 C ATOM 191 CG HIS A 14 -7.870 5.853 -1.108 1.00 0.00 C ATOM 192 ND1 HIS A 14 -7.934 4.789 -0.225 1.00 0.00 N ATOM 193 CD2 HIS A 14 -6.917 6.699 -0.623 1.00 0.00 C ATOM 194 CE1 HIS A 14 -7.055 4.996 0.745 1.00 0.00 C ATOM 195 NE2 HIS A 14 -6.426 6.181 0.497 1.00 0.00 N ATOM 0 H HIS A 14 -10.822 7.063 -3.183 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.543 8.045 -2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.759 5.671 -2.073 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.392 5.220 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.613 7.632 -1.073 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.869 4.342 1.584 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.699 6.600 1.076 1.00 0.00 H new ATOM 203 N GLN A 15 -7.901 6.873 -5.191 1.00 0.00 N ATOM 204 CA GLN A 15 -6.956 6.947 -6.291 1.00 0.00 C ATOM 205 C GLN A 15 -6.538 8.399 -6.536 1.00 0.00 C ATOM 206 O GLN A 15 -5.512 8.656 -7.164 1.00 0.00 O ATOM 207 CB GLN A 15 -7.542 6.324 -7.560 1.00 0.00 C ATOM 208 CG GLN A 15 -8.176 7.392 -8.453 1.00 0.00 C ATOM 209 CD GLN A 15 -7.225 7.801 -9.580 1.00 0.00 C ATOM 210 OE1 GLN A 15 -7.069 7.114 -10.576 1.00 0.00 O ATOM 211 NE2 GLN A 15 -6.600 8.956 -9.367 1.00 0.00 N ATOM 0 H GLN A 15 -8.729 6.308 -5.377 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.069 6.375 -6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.757 5.804 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.290 5.579 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.105 7.012 -8.877 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.433 8.266 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.777 9.481 -8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.944 9.316 -10.060 1.00 0.00 H new ATOM 218 N LYS A 16 -7.356 9.308 -6.029 1.00 0.00 N ATOM 219 CA LYS A 16 -7.085 10.728 -6.185 1.00 0.00 C ATOM 220 C LYS A 16 -5.582 10.936 -6.392 1.00 0.00 C ATOM 221 O LYS A 16 -5.170 11.635 -7.316 1.00 0.00 O ATOM 222 CB LYS A 16 -7.658 11.516 -5.004 1.00 0.00 C ATOM 223 CG LYS A 16 -7.543 13.023 -5.244 1.00 0.00 C ATOM 224 CD LYS A 16 -8.490 13.474 -6.358 1.00 0.00 C ATOM 225 CE LYS A 16 -9.878 13.798 -5.800 1.00 0.00 C ATOM 226 NZ LYS A 16 -10.515 14.876 -6.590 1.00 0.00 N ATOM 0 H LYS A 16 -8.207 9.090 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.587 11.117 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.704 11.246 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.127 11.248 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.775 13.560 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.516 13.275 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.080 14.353 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.571 12.690 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.503 12.905 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.795 14.104 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.456 15.084 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.926 15.732 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.612 14.571 -7.579 1.00 0.00 H new ATOM 236 N LEU A 17 -4.806 10.316 -5.515 1.00 0.00 N ATOM 237 CA LEU A 17 -3.358 10.425 -5.590 1.00 0.00 C ATOM 238 C LEU A 17 -2.734 9.060 -5.293 1.00 0.00 C ATOM 239 O LEU A 17 -1.587 8.806 -5.657 1.00 0.00 O ATOM 240 CB LEU A 17 -2.856 11.543 -4.674 1.00 0.00 C ATOM 241 CG LEU A 17 -2.437 12.841 -5.368 1.00 0.00 C ATOM 242 CD1 LEU A 17 -2.549 14.033 -4.416 1.00 0.00 C ATOM 243 CD2 LEU A 17 -1.034 12.714 -5.966 1.00 0.00 C ATOM 0 H LEU A 17 -5.152 9.737 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.048 10.707 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.641 11.776 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.005 11.166 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.124 13.024 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.245 14.942 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.581 14.134 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.901 13.873 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.760 13.650 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.319 12.495 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.022 11.907 -6.698 1.00 0.00 H new ATOM 254 N VAL A 18 -3.516 8.217 -4.634 1.00 0.00 N ATOM 255 CA VAL A 18 -3.053 6.884 -4.284 1.00 0.00 C ATOM 256 C VAL A 18 -2.406 6.236 -5.509 1.00 0.00 C ATOM 257 O VAL A 18 -1.208 5.958 -5.509 1.00 0.00 O ATOM 258 CB VAL A 18 -4.209 6.062 -3.712 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.715 4.717 -3.181 1.00 0.00 C ATOM 260 CG2 VAL A 18 -4.952 6.842 -2.625 1.00 0.00 C ATOM 0 H VAL A 18 -4.467 8.431 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.293 6.936 -3.505 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.912 5.864 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.557 4.153 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.253 4.153 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.982 4.884 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.769 6.235 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.263 7.085 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.354 7.763 -3.048 1.00 0.00 H new ATOM 270 N PHE A 19 -3.229 6.014 -6.525 1.00 0.00 N ATOM 271 CA PHE A 19 -2.751 5.402 -7.753 1.00 0.00 C ATOM 272 C PHE A 19 -1.434 6.037 -8.206 1.00 0.00 C ATOM 273 O PHE A 19 -0.728 5.478 -9.044 1.00 0.00 O ATOM 274 CB PHE A 19 -3.818 5.654 -8.821 1.00 0.00 C ATOM 275 CG PHE A 19 -3.771 7.057 -9.429 1.00 0.00 C ATOM 276 CD1 PHE A 19 -3.553 8.137 -8.632 1.00 0.00 C ATOM 277 CD2 PHE A 19 -3.948 7.224 -10.768 1.00 0.00 C ATOM 278 CE1 PHE A 19 -3.509 9.439 -9.197 1.00 0.00 C ATOM 279 CE2 PHE A 19 -3.904 8.526 -11.332 1.00 0.00 C ATOM 280 CZ PHE A 19 -3.686 9.606 -10.535 1.00 0.00 C ATOM 0 H PHE A 19 -4.222 6.247 -6.522 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.575 4.338 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.700 4.920 -9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.802 5.492 -8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.413 8.004 -7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.122 6.366 -11.401 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.335 10.297 -8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.044 8.659 -12.395 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.653 10.596 -10.965 1.00 0.00 H new ATOM 289 N PHE A 20 -1.144 7.194 -7.631 1.00 0.00 N ATOM 290 CA PHE A 20 0.076 7.911 -7.966 1.00 0.00 C ATOM 291 C PHE A 20 1.154 7.680 -6.905 1.00 0.00 C ATOM 292 O PHE A 20 2.141 6.989 -7.157 1.00 0.00 O ATOM 293 CB PHE A 20 -0.276 9.399 -8.002 1.00 0.00 C ATOM 294 CG PHE A 20 0.291 10.142 -9.215 1.00 0.00 C ATOM 295 CD1 PHE A 20 1.527 9.828 -9.688 1.00 0.00 C ATOM 296 CD2 PHE A 20 -0.441 11.115 -9.819 1.00 0.00 C ATOM 297 CE1 PHE A 20 2.053 10.517 -10.812 1.00 0.00 C ATOM 298 CE2 PHE A 20 0.085 11.804 -10.943 1.00 0.00 C ATOM 299 CZ PHE A 20 1.320 11.490 -11.417 1.00 0.00 C ATOM 0 H PHE A 20 -1.732 7.654 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 20 0.464 7.561 -8.923 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.361 9.506 -7.997 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.095 9.872 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.108 9.054 -9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.423 11.364 -9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.035 10.269 -11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.496 12.578 -11.422 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.719 12.013 -12.274 1.00 0.00 H new ATOM 308 N ALA A 21 0.931 8.270 -5.740 1.00 0.00 N ATOM 309 CA ALA A 21 1.871 8.139 -4.640 1.00 0.00 C ATOM 310 C ALA A 21 2.024 6.659 -4.282 1.00 0.00 C ATOM 311 O ALA A 21 3.008 6.268 -3.655 1.00 0.00 O ATOM 312 CB ALA A 21 1.392 8.980 -3.456 1.00 0.00 C ATOM 0 H ALA A 21 0.111 8.841 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 21 2.854 8.513 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.097 8.882 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.327 10.026 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.409 8.633 -3.137 1.00 0.00 H new ATOM 318 N GLU A 22 1.038 5.878 -4.694 1.00 0.00 N ATOM 319 CA GLU A 22 1.051 4.450 -4.423 1.00 0.00 C ATOM 320 C GLU A 22 1.911 3.722 -5.458 1.00 0.00 C ATOM 321 O GLU A 22 2.473 2.666 -5.171 1.00 0.00 O ATOM 322 CB GLU A 22 -0.371 3.885 -4.396 1.00 0.00 C ATOM 323 CG GLU A 22 -0.431 2.591 -3.581 1.00 0.00 C ATOM 324 CD GLU A 22 0.320 1.462 -4.289 1.00 0.00 C ATOM 325 OE1 GLU A 22 0.410 1.533 -5.533 1.00 0.00 O ATOM 326 OE2 GLU A 22 0.786 0.552 -3.570 1.00 0.00 O ATOM 0 H GLU A 22 0.224 6.206 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 22 1.489 4.290 -3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.051 4.621 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.710 3.694 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.002 2.758 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.471 2.301 -3.428 1.00 0.00 H new ATOM 331 N ASP A 23 1.986 4.315 -6.640 1.00 0.00 N ATOM 332 CA ASP A 23 2.768 3.736 -7.719 1.00 0.00 C ATOM 333 C ASP A 23 4.240 4.116 -7.539 1.00 0.00 C ATOM 334 O ASP A 23 5.131 3.352 -7.904 1.00 0.00 O ATOM 335 CB ASP A 23 2.306 4.263 -9.080 1.00 0.00 C ATOM 336 CG ASP A 23 2.385 3.253 -10.226 1.00 0.00 C ATOM 337 OD1 ASP A 23 1.903 2.118 -10.015 1.00 0.00 O ATOM 338 OD2 ASP A 23 2.922 3.637 -11.286 1.00 0.00 O ATOM 0 H ASP A 23 1.518 5.191 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 23 2.635 2.655 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.275 4.606 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.910 5.132 -9.340 1.00 0.00 H new ATOM 342 N VAL A 24 4.446 5.297 -6.975 1.00 0.00 N ATOM 343 CA VAL A 24 5.794 5.788 -6.740 1.00 0.00 C ATOM 344 C VAL A 24 6.166 5.563 -5.274 1.00 0.00 C ATOM 345 O VAL A 24 7.181 4.935 -4.978 1.00 0.00 O ATOM 346 CB VAL A 24 5.896 7.255 -7.166 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.764 7.403 -8.416 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.509 7.861 -7.386 1.00 0.00 C ATOM 0 H VAL A 24 3.703 5.928 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 24 6.514 5.236 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 24 6.376 7.806 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.820 8.455 -8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.767 7.029 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.325 6.831 -9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.611 8.903 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.989 7.306 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.937 7.806 -6.460 1.00 0.00 H new ATOM 358 N GLY A 25 5.326 6.088 -4.395 1.00 0.00 N ATOM 359 CA GLY A 25 5.554 5.952 -2.967 1.00 0.00 C ATOM 360 C GLY A 25 5.006 4.621 -2.448 1.00 0.00 C ATOM 361 O GLY A 25 4.624 4.514 -1.284 1.00 0.00 O ATOM 0 H GLY A 25 4.485 6.609 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.622 6.016 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.076 6.777 -2.439 1.00 0.00 H new ATOM 365 N SER A 26 4.983 3.640 -3.337 1.00 0.00 N ATOM 366 CA SER A 26 4.488 2.321 -2.984 1.00 0.00 C ATOM 367 C SER A 26 4.500 1.410 -4.214 1.00 0.00 C ATOM 368 O SER A 26 3.562 0.646 -4.435 1.00 0.00 O ATOM 369 CB SER A 26 3.077 2.400 -2.397 1.00 0.00 C ATOM 370 OG SER A 26 2.974 1.704 -1.159 1.00 0.00 O ATOM 0 H SER A 26 5.300 3.732 -4.302 1.00 0.00 H new ATOM 0 HA SER A 26 5.146 1.902 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.804 3.445 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.365 1.982 -3.108 1.00 0.00 H new ATOM 0 HG SER A 26 2.059 1.780 -0.816 1.00 0.00 H new ATOM 375 N ASN A 27 5.575 1.521 -4.982 1.00 0.00 N ATOM 376 CA ASN A 27 5.721 0.717 -6.183 1.00 0.00 C ATOM 377 C ASN A 27 6.060 -0.723 -5.791 1.00 0.00 C ATOM 378 O ASN A 27 5.578 -1.669 -6.411 1.00 0.00 O ATOM 379 CB ASN A 27 6.856 1.246 -7.065 1.00 0.00 C ATOM 380 CG ASN A 27 6.669 0.809 -8.518 1.00 0.00 C ATOM 381 OD1 ASN A 27 7.534 0.202 -9.128 1.00 0.00 O ATOM 382 ND2 ASN A 27 5.493 1.151 -9.039 1.00 0.00 N ATOM 0 H ASN A 27 6.352 2.155 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 27 4.782 0.763 -6.735 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.887 2.334 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.812 0.880 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.272 0.905 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.813 1.659 -8.473 1.00 0.00 H new ATOM 388 N LYS A 28 6.887 -0.842 -4.762 1.00 0.00 N ATOM 389 CA LYS A 28 7.295 -2.151 -4.279 1.00 0.00 C ATOM 390 C LYS A 28 6.075 -3.072 -4.223 1.00 0.00 C ATOM 391 O LYS A 28 6.031 -4.094 -4.907 1.00 0.00 O ATOM 392 CB LYS A 28 8.032 -2.024 -2.946 1.00 0.00 C ATOM 393 CG LYS A 28 9.464 -1.524 -3.154 1.00 0.00 C ATOM 394 CD LYS A 28 10.419 -2.692 -3.412 1.00 0.00 C ATOM 395 CE LYS A 28 11.113 -2.542 -4.767 1.00 0.00 C ATOM 396 NZ LYS A 28 12.451 -3.174 -4.737 1.00 0.00 N ATOM 0 H LYS A 28 7.285 -0.055 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 28 8.007 -2.607 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.494 -1.336 -2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.050 -2.991 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.493 -0.833 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.791 -0.969 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.166 -2.738 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.867 -3.631 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.505 -3.001 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.209 -1.486 -5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.908 -3.063 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.034 -2.718 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.352 -4.186 -4.519 1.00 0.00 H new ATOM 406 N GLY A 29 5.114 -2.679 -3.400 1.00 0.00 N ATOM 407 CA GLY A 29 3.896 -3.457 -3.245 1.00 0.00 C ATOM 408 C GLY A 29 3.204 -3.667 -4.593 1.00 0.00 C ATOM 409 O GLY A 29 2.593 -4.708 -4.825 1.00 0.00 O ATOM 0 H GLY A 29 5.154 -1.832 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.132 -4.423 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.219 -2.946 -2.560 1.00 0.00 H new ATOM 413 N ALA A 30 3.325 -2.660 -5.447 1.00 0.00 N ATOM 414 CA ALA A 30 2.718 -2.722 -6.767 1.00 0.00 C ATOM 415 C ALA A 30 3.317 -3.896 -7.544 1.00 0.00 C ATOM 416 O ALA A 30 2.870 -4.207 -8.647 1.00 0.00 O ATOM 417 CB ALA A 30 2.918 -1.385 -7.482 1.00 0.00 C ATOM 0 H ALA A 30 3.834 -1.798 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 30 1.644 -2.893 -6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.463 -1.430 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.449 -0.589 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.984 -1.181 -7.581 1.00 0.00 H new ATOM 423 N ILE A 31 4.319 -4.516 -6.939 1.00 0.00 N ATOM 424 CA ILE A 31 4.984 -5.648 -7.561 1.00 0.00 C ATOM 425 C ILE A 31 4.209 -6.929 -7.240 1.00 0.00 C ATOM 426 O ILE A 31 4.286 -7.907 -7.981 1.00 0.00 O ATOM 427 CB ILE A 31 6.456 -5.699 -7.146 1.00 0.00 C ATOM 428 CG1 ILE A 31 7.144 -4.357 -7.399 1.00 0.00 C ATOM 429 CG2 ILE A 31 7.181 -6.855 -7.838 1.00 0.00 C ATOM 430 CD1 ILE A 31 8.462 -4.262 -6.627 1.00 0.00 C ATOM 0 H ILE A 31 4.687 -4.256 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 31 4.986 -5.540 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 31 6.502 -5.886 -6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.334 -4.237 -8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.483 -3.543 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.225 -6.869 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.708 -7.798 -7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.127 -6.723 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.931 -3.298 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.266 -4.358 -5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.129 -5.062 -6.947 1.00 0.00 H new ATOM 441 N ILE A 32 3.480 -6.879 -6.134 1.00 0.00 N ATOM 442 CA ILE A 32 2.692 -8.023 -5.706 1.00 0.00 C ATOM 443 C ILE A 32 1.762 -8.449 -6.843 1.00 0.00 C ATOM 444 O ILE A 32 2.196 -9.091 -7.798 1.00 0.00 O ATOM 445 CB ILE A 32 1.962 -7.710 -4.398 1.00 0.00 C ATOM 446 CG1 ILE A 32 2.955 -7.430 -3.269 1.00 0.00 C ATOM 447 CG2 ILE A 32 0.984 -8.829 -4.036 1.00 0.00 C ATOM 448 CD1 ILE A 32 2.248 -6.830 -2.053 1.00 0.00 C ATOM 0 H ILE A 32 3.419 -6.065 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 32 3.339 -8.873 -5.488 1.00 0.00 H new ATOM 0 HB ILE A 32 1.375 -6.803 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.456 -8.355 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.727 -6.745 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.478 -8.582 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.246 -8.938 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.530 -9.765 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.977 -6.641 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.768 -5.893 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.494 -7.528 -1.689 1.00 0.00 H new ATOM 459 N GLY A 33 0.498 -8.074 -6.703 1.00 0.00 N ATOM 460 CA GLY A 33 -0.497 -8.411 -7.706 1.00 0.00 C ATOM 461 C GLY A 33 -0.281 -9.829 -8.241 1.00 0.00 C ATOM 462 O GLY A 33 -0.780 -10.795 -7.665 1.00 0.00 O ATOM 0 H GLY A 33 0.141 -7.540 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.495 -8.330 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.446 -7.697 -8.528 1.00 0.00 H new ATOM 466 N LEU A 34 0.463 -9.908 -9.334 1.00 0.00 N ATOM 467 CA LEU A 34 0.751 -11.191 -9.952 1.00 0.00 C ATOM 468 C LEU A 34 1.321 -12.143 -8.898 1.00 0.00 C ATOM 469 O LEU A 34 1.205 -13.360 -9.027 1.00 0.00 O ATOM 470 CB LEU A 34 1.660 -11.007 -11.169 1.00 0.00 C ATOM 471 CG LEU A 34 1.009 -11.247 -12.532 1.00 0.00 C ATOM 472 CD1 LEU A 34 0.796 -12.740 -12.786 1.00 0.00 C ATOM 473 CD2 LEU A 34 -0.291 -10.450 -12.666 1.00 0.00 C ATOM 0 H LEU A 34 0.875 -9.104 -9.808 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.164 -11.645 -10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.057 -9.992 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.509 -11.683 -11.070 1.00 0.00 H new ATOM 0 HG LEU A 34 1.690 -10.886 -13.303 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.332 -12.880 -13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.757 -13.254 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.147 -13.152 -12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.734 -10.638 -13.644 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.988 -10.757 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.078 -9.386 -12.563 1.00 0.00 H new ATOM 484 N MET A 35 1.925 -11.552 -7.877 1.00 0.00 N ATOM 485 CA MET A 35 2.514 -12.333 -6.802 1.00 0.00 C ATOM 486 C MET A 35 1.459 -12.713 -5.760 1.00 0.00 C ATOM 487 O MET A 35 1.703 -13.565 -4.907 1.00 0.00 O ATOM 488 CB MET A 35 3.624 -11.521 -6.131 1.00 0.00 C ATOM 489 CG MET A 35 4.966 -12.250 -6.222 1.00 0.00 C ATOM 490 SD MET A 35 6.295 -11.138 -5.795 1.00 0.00 S ATOM 491 CE MET A 35 7.362 -11.372 -7.206 1.00 0.00 C ATOM 0 H MET A 35 2.019 -10.542 -7.772 1.00 0.00 H new ATOM 0 HA MET A 35 2.926 -13.249 -7.226 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.704 -10.544 -6.607 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.371 -11.346 -5.085 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.969 -13.108 -5.550 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.113 -12.634 -7.231 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.400 -11.235 -6.904 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.228 -12.379 -7.600 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.110 -10.644 -7.977 1.00 0.00 H new ATOM 499 N VAL A 36 0.310 -12.062 -5.863 1.00 0.00 N ATOM 500 CA VAL A 36 -0.782 -12.321 -4.941 1.00 0.00 C ATOM 501 C VAL A 36 -1.098 -13.819 -4.939 1.00 0.00 C ATOM 502 O VAL A 36 -1.760 -14.315 -4.030 1.00 0.00 O ATOM 503 CB VAL A 36 -1.992 -11.457 -5.306 1.00 0.00 C ATOM 504 CG1 VAL A 36 -3.183 -11.770 -4.399 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.638 -9.969 -5.253 1.00 0.00 C ATOM 0 H VAL A 36 0.112 -11.355 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.497 -12.046 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.279 -11.697 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.029 -11.142 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.458 -12.819 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.913 -11.572 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.514 -9.377 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.313 -9.708 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.834 -9.761 -5.959 1.00 0.00 H new ATOM 515 N GLY A 37 -0.608 -14.495 -5.968 1.00 0.00 N ATOM 516 CA GLY A 37 -0.830 -15.925 -6.096 1.00 0.00 C ATOM 517 C GLY A 37 0.038 -16.517 -7.210 1.00 0.00 C ATOM 518 O GLY A 37 -0.346 -17.500 -7.844 1.00 0.00 O ATOM 0 H GLY A 37 -0.059 -14.079 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.602 -16.418 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.882 -16.116 -6.309 1.00 0.00 H new ATOM 522 N GLY A 38 1.188 -15.893 -7.415 1.00 0.00 N ATOM 523 CA GLY A 38 2.112 -16.345 -8.440 1.00 0.00 C ATOM 524 C GLY A 38 3.326 -17.038 -7.819 1.00 0.00 C ATOM 525 O GLY A 38 3.206 -18.127 -7.259 1.00 0.00 O ATOM 0 H GLY A 38 1.501 -15.078 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.603 -17.032 -9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.441 -15.495 -9.038 1.00 0.00 H new ATOM 529 N VAL A 39 4.468 -16.378 -7.939 1.00 0.00 N ATOM 530 CA VAL A 39 5.704 -16.917 -7.394 1.00 0.00 C ATOM 531 C VAL A 39 5.594 -16.995 -5.870 1.00 0.00 C ATOM 532 O VAL A 39 6.408 -17.648 -5.219 1.00 0.00 O ATOM 533 CB VAL A 39 6.894 -16.077 -7.865 1.00 0.00 C ATOM 534 CG1 VAL A 39 8.200 -16.586 -7.254 1.00 0.00 C ATOM 535 CG2 VAL A 39 6.975 -16.049 -9.393 1.00 0.00 C ATOM 0 H VAL A 39 4.564 -15.476 -8.405 1.00 0.00 H new ATOM 0 HA VAL A 39 5.872 -17.930 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 39 6.740 -15.054 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.029 -15.972 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.140 -16.528 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.363 -17.621 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.829 -15.446 -9.701 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.094 -17.065 -9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.060 -15.616 -9.798 1.00 0.00 H new ATOM 545 N VAL A 40 4.580 -16.323 -5.347 1.00 0.00 N ATOM 546 CA VAL A 40 4.353 -16.309 -3.912 1.00 0.00 C ATOM 547 C VAL A 40 5.700 -16.284 -3.186 1.00 0.00 C ATOM 548 O VAL A 40 6.252 -17.332 -2.860 1.00 0.00 O ATOM 549 CB VAL A 40 3.479 -17.498 -3.509 1.00 0.00 C ATOM 550 CG1 VAL A 40 3.868 -18.020 -2.123 1.00 0.00 C ATOM 551 CG2 VAL A 40 1.995 -17.130 -3.557 1.00 0.00 C ATOM 0 H VAL A 40 3.906 -15.784 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 40 3.810 -15.410 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 40 3.650 -18.298 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.231 -18.865 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.910 -18.340 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.740 -17.227 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.396 -17.993 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.802 -16.306 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.728 -16.828 -4.570 1.00 0.00 H new ATOM 561 N ILE A 41 6.189 -15.075 -2.957 1.00 0.00 N ATOM 562 CA ILE A 41 7.461 -14.899 -2.277 1.00 0.00 C ATOM 563 C ILE A 41 7.397 -15.571 -0.904 1.00 0.00 C ATOM 564 O ILE A 41 6.313 -15.796 -0.369 1.00 0.00 O ATOM 565 CB ILE A 41 7.837 -13.416 -2.217 1.00 0.00 C ATOM 566 CG1 ILE A 41 7.501 -12.713 -3.534 1.00 0.00 C ATOM 567 CG2 ILE A 41 9.306 -13.239 -1.831 1.00 0.00 C ATOM 568 CD1 ILE A 41 7.810 -13.614 -4.731 1.00 0.00 C ATOM 0 H ILE A 41 5.728 -14.207 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 41 8.261 -15.385 -2.835 1.00 0.00 H new ATOM 0 HB ILE A 41 7.240 -12.942 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.446 -12.437 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.073 -11.788 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.547 -12.177 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.481 -13.684 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.938 -13.730 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.562 -13.090 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.870 -13.868 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.218 -14.527 -4.662 1.00 0.00 H new ATOM 579 N ALA A 42 8.574 -15.875 -0.374 1.00 0.00 N ATOM 580 CA ALA A 42 8.664 -16.518 0.926 1.00 0.00 C ATOM 581 C ALA A 42 8.304 -15.509 2.016 1.00 0.00 C ATOM 582 O ALA A 42 7.744 -15.877 3.048 1.00 0.00 O ATOM 583 CB ALA A 42 10.069 -17.099 1.109 1.00 0.00 C ATOM 0 H ALA A 42 9.472 -15.688 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 42 7.956 -17.344 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.139 -17.582 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.265 -17.832 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.805 -16.297 1.048 1.00 0.00 H new TER 589 ALA A 42