USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -130:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0562 (180deg=-0.35) USER MOD Single : A 24 THR OG1 : rot 108:sc= 0.245 USER MOD Single : A 25 SER OG : rot -39:sc= 1.05 USER MOD Single : A 26 SER OG : rot -67:sc= 0.0666 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.327 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.803 F(o=-4.7!,f=-0.8) USER MOD Single : A 78 GLN : amide:sc= -1.49 K(o=-1.5,f=-5.3!) USER MOD Single : A 80 MET CE :methyl -108:sc= -2.89! (180deg=-3.92!) USER MOD Single : A 82 GLN : amide:sc= -1.96 K(o=-2,f=-5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.2) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.283 F(o=-1.1,f=0.28) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.961 -7.057 2.285 1.00 0.55 N ATOM 139 CA SER A 12 -10.190 -7.983 3.108 1.00 0.45 C ATOM 140 C SER A 12 -8.755 -7.492 3.276 1.00 0.39 C ATOM 141 O SER A 12 -8.123 -7.049 2.314 1.00 0.38 O ATOM 142 CB SER A 12 -10.194 -9.378 2.480 1.00 0.51 C ATOM 143 OG SER A 12 -9.460 -10.296 3.269 1.00 0.90 O ATOM 0 HA SER A 12 -10.656 -8.034 4.092 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.221 -9.728 2.371 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.765 -9.330 1.479 1.00 0.51 H new ATOM 0 HG SER A 12 -9.480 -11.180 2.846 1.00 0.90 H new ATOM 149 N LEU A 13 -8.247 -7.573 4.503 1.00 0.41 N ATOM 150 CA LEU A 13 -6.886 -7.136 4.799 1.00 0.40 C ATOM 151 C LEU A 13 -5.869 -8.147 4.280 1.00 0.45 C ATOM 152 O LEU A 13 -5.884 -9.314 4.672 1.00 0.68 O ATOM 153 CB LEU A 13 -6.708 -6.942 6.307 1.00 0.56 C ATOM 154 CG LEU A 13 -7.715 -5.998 6.965 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.524 -5.984 8.474 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.574 -4.596 6.396 1.00 0.79 C ATOM 0 H LEU A 13 -8.757 -7.937 5.308 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.716 -6.184 4.296 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.775 -7.915 6.793 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.703 -6.562 6.492 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.721 -6.359 6.750 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.249 -5.307 8.926 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.671 -6.989 8.869 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.515 -5.646 8.710 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.297 -3.935 6.874 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.566 -4.227 6.584 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.758 -4.619 5.322 1.00 0.79 H new ATOM 168 N TYR A 14 -4.988 -7.689 3.398 1.00 0.36 N ATOM 169 CA TYR A 14 -3.965 -8.552 2.819 1.00 0.50 C ATOM 170 C TYR A 14 -2.565 -8.118 3.247 1.00 0.31 C ATOM 171 O TYR A 14 -2.169 -6.969 3.043 1.00 0.37 O ATOM 172 CB TYR A 14 -4.074 -8.551 1.294 1.00 0.80 C ATOM 173 CG TYR A 14 -5.166 -9.455 0.764 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.928 -10.802 0.509 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.439 -8.956 0.517 1.00 0.71 C ATOM 176 CE1 TYR A 14 -5.929 -11.623 0.024 1.00 1.90 C ATOM 177 CE2 TYR A 14 -7.444 -9.771 0.033 1.00 1.34 C ATOM 178 CZ TYR A 14 -7.164 -11.129 -0.209 1.00 1.98 C ATOM 179 OH TYR A 14 -8.184 -11.915 -0.695 1.00 2.73 O ATOM 0 H TYR A 14 -4.962 -6.724 3.068 1.00 0.36 H new ATOM 0 HA TYR A 14 -4.131 -9.564 3.188 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.259 -7.533 0.952 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.119 -8.861 0.870 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -3.946 -11.212 0.693 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.646 -7.913 0.707 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.722 -12.665 -0.170 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -8.430 -9.372 -0.157 1.00 1.34 H new ATOM 0 HH TYR A 14 -8.995 -11.374 -0.794 1.00 2.73 H new ATOM 189 N SER A 15 -1.819 -9.045 3.838 1.00 0.43 N ATOM 190 CA SER A 15 -0.463 -8.762 4.294 1.00 0.38 C ATOM 191 C SER A 15 0.565 -9.353 3.335 1.00 0.33 C ATOM 192 O SER A 15 0.369 -10.441 2.792 1.00 0.41 O ATOM 193 CB SER A 15 -0.249 -9.327 5.700 1.00 0.59 C ATOM 194 OG SER A 15 1.059 -9.047 6.168 1.00 1.19 O ATOM 0 H SER A 15 -2.131 -10.000 4.013 1.00 0.43 H new ATOM 0 HA SER A 15 -0.331 -7.680 4.320 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.983 -8.899 6.383 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.413 -10.405 5.691 1.00 0.59 H new ATOM 0 HG SER A 15 1.468 -9.870 6.507 1.00 1.19 H new ATOM 200 N VAL A 16 1.663 -8.629 3.130 1.00 0.32 N ATOM 201 CA VAL A 16 2.724 -9.080 2.235 1.00 0.33 C ATOM 202 C VAL A 16 4.096 -8.843 2.863 1.00 0.31 C ATOM 203 O VAL A 16 4.242 -8.008 3.754 1.00 0.44 O ATOM 204 CB VAL A 16 2.659 -8.355 0.875 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.503 -9.079 -0.163 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.219 -8.226 0.398 1.00 0.56 C ATOM 0 H VAL A 16 1.841 -7.727 3.572 1.00 0.32 H new ATOM 0 HA VAL A 16 2.576 -10.148 2.072 1.00 0.33 H new ATOM 0 HB VAL A 16 3.065 -7.352 1.008 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.442 -8.550 -1.114 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.541 -9.110 0.169 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.132 -10.096 -0.289 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.199 -7.712 -0.563 1.00 0.56 H new ATOM 0 HG22 VAL A 16 0.782 -9.218 0.288 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.644 -7.655 1.127 1.00 0.56 H new ATOM 216 N GLU A 17 5.098 -9.583 2.396 1.00 0.33 N ATOM 217 CA GLU A 17 6.455 -9.446 2.916 1.00 0.34 C ATOM 218 C GLU A 17 7.441 -9.086 1.808 1.00 0.32 C ATOM 219 O GLU A 17 7.684 -9.876 0.896 1.00 0.38 O ATOM 220 CB GLU A 17 6.895 -10.739 3.607 1.00 0.45 C ATOM 221 CG GLU A 17 6.188 -10.992 4.928 1.00 0.71 C ATOM 222 CD GLU A 17 6.686 -12.242 5.626 1.00 1.18 C ATOM 223 OE1 GLU A 17 7.693 -12.152 6.359 1.00 1.74 O ATOM 224 OE2 GLU A 17 6.068 -13.312 5.441 1.00 1.42 O ATOM 0 H GLU A 17 4.996 -10.282 1.660 1.00 0.33 H new ATOM 0 HA GLU A 17 6.451 -8.635 3.644 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.710 -11.580 2.938 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.970 -10.701 3.781 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.332 -10.133 5.583 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.116 -11.082 4.751 1.00 0.71 H new ATOM 231 N LEU A 18 8.008 -7.885 1.898 1.00 0.31 N ATOM 232 CA LEU A 18 8.972 -7.408 0.909 1.00 0.34 C ATOM 233 C LEU A 18 10.317 -7.113 1.563 1.00 0.38 C ATOM 234 O LEU A 18 10.423 -7.055 2.787 1.00 0.68 O ATOM 235 CB LEU A 18 8.448 -6.149 0.211 1.00 0.40 C ATOM 236 CG LEU A 18 7.614 -6.394 -1.051 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.458 -7.057 -2.129 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.391 -7.241 -0.731 1.00 0.71 C ATOM 0 H LEU A 18 7.815 -7.222 2.649 1.00 0.31 H new ATOM 0 HA LEU A 18 9.108 -8.194 0.167 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.843 -5.586 0.922 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.298 -5.520 -0.053 1.00 0.40 H new ATOM 0 HG LEU A 18 7.272 -5.430 -1.428 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.849 -7.223 -3.017 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.299 -6.411 -2.381 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.832 -8.013 -1.762 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.813 -7.403 -1.641 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.710 -8.202 -0.327 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.774 -6.725 0.004 1.00 0.71 H new ATOM 250 N PHE A 19 11.345 -6.935 0.740 1.00 0.41 N ATOM 251 CA PHE A 19 12.682 -6.642 1.243 1.00 0.43 C ATOM 252 C PHE A 19 13.455 -5.769 0.261 1.00 0.49 C ATOM 253 O PHE A 19 13.526 -6.074 -0.930 1.00 0.59 O ATOM 254 CB PHE A 19 13.449 -7.942 1.510 1.00 0.48 C ATOM 255 CG PHE A 19 13.487 -8.877 0.333 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.428 -9.735 0.079 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.582 -8.900 -0.517 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.459 -10.597 -1.001 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.618 -9.760 -1.598 1.00 2.08 C ATOM 260 CZ PHE A 19 13.555 -10.609 -1.841 1.00 1.94 C ATOM 0 H PHE A 19 11.278 -6.988 -0.276 1.00 0.41 H new ATOM 0 HA PHE A 19 12.578 -6.094 2.180 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.471 -7.697 1.801 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.992 -8.456 2.356 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.568 -9.730 0.733 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.416 -8.239 -0.332 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.627 -11.260 -1.188 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.477 -9.769 -2.253 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.581 -11.281 -2.686 1.00 1.94 H new ATOM 270 N ARG A 20 14.031 -4.677 0.761 1.00 0.52 N ATOM 271 CA ARG A 20 14.797 -3.772 -0.092 1.00 0.66 C ATOM 272 C ARG A 20 16.293 -3.913 0.166 1.00 0.68 C ATOM 273 O ARG A 20 16.797 -3.482 1.203 1.00 0.83 O ATOM 274 CB ARG A 20 14.364 -2.323 0.133 1.00 0.73 C ATOM 275 CG ARG A 20 14.736 -1.397 -1.015 1.00 0.99 C ATOM 276 CD ARG A 20 14.433 0.056 -0.687 1.00 1.19 C ATOM 277 NE ARG A 20 15.298 0.568 0.370 1.00 1.60 N ATOM 278 CZ ARG A 20 15.734 1.822 0.428 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.374 2.699 -0.502 1.00 2.52 N ATOM 280 NH2 ARG A 20 16.529 2.203 1.418 1.00 3.06 N ATOM 0 H ARG A 20 13.983 -4.400 1.741 1.00 0.52 H new ATOM 0 HA ARG A 20 14.597 -4.043 -1.129 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.284 -2.293 0.279 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.821 -1.953 1.051 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.797 -1.505 -1.241 1.00 0.99 H new ATOM 0 HG3 ARG A 20 14.188 -1.690 -1.911 1.00 0.99 H new ATOM 0 HD2 ARG A 20 14.557 0.664 -1.583 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.391 0.149 -0.380 1.00 1.19 H new ATOM 0 HE ARG A 20 15.585 -0.074 1.108 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.761 2.411 -1.264 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.711 3.661 -0.454 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.806 1.533 2.136 1.00 3.06 H new ATOM 0 HH22 ARG A 20 16.863 3.166 1.462 1.00 3.06 H new ATOM 294 N GLU A 21 17.000 -4.520 -0.783 1.00 0.82 N ATOM 295 CA GLU A 21 18.440 -4.719 -0.658 1.00 0.93 C ATOM 296 C GLU A 21 19.167 -4.275 -1.926 1.00 1.16 C ATOM 297 O GLU A 21 20.397 -4.270 -1.976 1.00 1.57 O ATOM 298 CB GLU A 21 18.751 -6.187 -0.365 1.00 1.09 C ATOM 299 CG GLU A 21 18.322 -7.135 -1.474 1.00 1.62 C ATOM 300 CD GLU A 21 18.635 -8.584 -1.156 1.00 2.00 C ATOM 301 OE1 GLU A 21 19.765 -9.025 -1.452 1.00 2.21 O ATOM 302 OE2 GLU A 21 17.750 -9.278 -0.612 1.00 2.58 O ATOM 0 H GLU A 21 16.598 -4.883 -1.648 1.00 0.82 H new ATOM 0 HA GLU A 21 18.793 -4.108 0.173 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.823 -6.296 -0.200 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.255 -6.477 0.561 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.251 -7.028 -1.645 1.00 1.62 H new ATOM 0 HG3 GLU A 21 18.822 -6.854 -2.401 1.00 1.62 H new ATOM 309 N LYS A 22 18.401 -3.906 -2.948 1.00 1.11 N ATOM 310 CA LYS A 22 18.975 -3.461 -4.212 1.00 1.40 C ATOM 311 C LYS A 22 19.388 -1.996 -4.135 1.00 1.31 C ATOM 312 O LYS A 22 19.064 -1.298 -3.172 1.00 1.38 O ATOM 313 CB LYS A 22 17.973 -3.662 -5.351 1.00 1.65 C ATOM 314 CG LYS A 22 17.597 -5.118 -5.587 1.00 2.00 C ATOM 315 CD LYS A 22 18.799 -5.953 -6.006 1.00 2.54 C ATOM 316 CE LYS A 22 19.325 -5.535 -7.370 1.00 3.05 C ATOM 317 NZ LYS A 22 18.299 -5.703 -8.437 1.00 3.72 N ATOM 0 H LYS A 22 17.381 -3.907 -2.925 1.00 1.11 H new ATOM 0 HA LYS A 22 19.864 -4.061 -4.410 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.069 -3.094 -5.132 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.393 -3.251 -6.269 1.00 1.65 H new ATOM 0 HG2 LYS A 22 17.165 -5.534 -4.677 1.00 2.00 H new ATOM 0 HG3 LYS A 22 16.829 -5.174 -6.358 1.00 2.00 H new ATOM 0 HD2 LYS A 22 19.590 -5.850 -5.263 1.00 2.54 H new ATOM 0 HD3 LYS A 22 18.520 -7.006 -6.031 1.00 2.54 H new ATOM 0 HE2 LYS A 22 19.643 -4.493 -7.333 1.00 3.05 H new ATOM 0 HE3 LYS A 22 20.206 -6.128 -7.617 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 18.759 -5.672 -9.369 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 17.820 -6.618 -8.317 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 17.600 -4.936 -8.371 1.00 3.72 H new ATOM 331 N ASP A 23 20.106 -1.535 -5.156 1.00 1.46 N ATOM 332 CA ASP A 23 20.568 -0.153 -5.208 1.00 1.51 C ATOM 333 C ASP A 23 19.583 0.723 -5.975 1.00 1.31 C ATOM 334 O ASP A 23 19.972 1.711 -6.600 1.00 1.58 O ATOM 335 CB ASP A 23 21.949 -0.078 -5.860 1.00 1.91 C ATOM 336 CG ASP A 23 23.000 -0.839 -5.077 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.054 -2.081 -5.209 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.767 -0.196 -4.329 1.00 2.87 O ATOM 0 H ASP A 23 20.380 -2.100 -5.959 1.00 1.46 H new ATOM 0 HA ASP A 23 20.636 0.218 -4.185 1.00 1.51 H new ATOM 0 HB2 ASP A 23 21.892 -0.479 -6.872 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.250 0.966 -5.948 1.00 1.91 H new ATOM 343 N THR A 24 18.306 0.356 -5.922 1.00 1.02 N ATOM 344 CA THR A 24 17.267 1.111 -6.611 1.00 0.98 C ATOM 345 C THR A 24 16.796 2.285 -5.762 1.00 1.01 C ATOM 346 O THR A 24 16.119 3.189 -6.253 1.00 1.16 O ATOM 347 CB THR A 24 16.057 0.222 -6.955 1.00 1.17 C ATOM 348 OG1 THR A 24 15.444 -0.260 -5.754 1.00 1.38 O ATOM 349 CG2 THR A 24 16.479 -0.956 -7.820 1.00 1.19 C ATOM 0 H THR A 24 17.967 -0.458 -5.410 1.00 1.02 H new ATOM 0 HA THR A 24 17.705 1.483 -7.537 1.00 0.98 H new ATOM 0 HB THR A 24 15.340 0.825 -7.512 1.00 1.17 H new ATOM 0 HG1 THR A 24 14.589 0.198 -5.617 1.00 1.38 H new ATOM 0 HG21 THR A 24 15.608 -1.569 -8.050 1.00 1.19 H new ATOM 0 HG22 THR A 24 16.918 -0.588 -8.747 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.214 -1.556 -7.284 1.00 1.19 H new ATOM 357 N SER A 25 17.158 2.257 -4.480 1.00 1.05 N ATOM 358 CA SER A 25 16.785 3.317 -3.548 1.00 1.35 C ATOM 359 C SER A 25 15.268 3.462 -3.456 1.00 1.17 C ATOM 360 O SER A 25 14.760 4.502 -3.036 1.00 1.39 O ATOM 361 CB SER A 25 17.418 4.645 -3.974 1.00 1.79 C ATOM 362 OG SER A 25 17.121 5.676 -3.047 1.00 2.45 O ATOM 0 H SER A 25 17.711 1.508 -4.063 1.00 1.05 H new ATOM 0 HA SER A 25 17.159 3.045 -2.561 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.498 4.526 -4.056 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.052 4.925 -4.962 1.00 1.79 H new ATOM 0 HG SER A 25 16.196 5.581 -2.737 1.00 2.45 H new ATOM 368 N SER A 26 14.550 2.412 -3.844 1.00 0.84 N ATOM 369 CA SER A 26 13.092 2.431 -3.806 1.00 0.72 C ATOM 370 C SER A 26 12.526 1.014 -3.830 1.00 0.58 C ATOM 371 O SER A 26 13.266 0.039 -3.961 1.00 0.69 O ATOM 372 CB SER A 26 12.543 3.231 -4.989 1.00 0.81 C ATOM 373 OG SER A 26 12.933 2.651 -6.223 1.00 1.40 O ATOM 0 H SER A 26 14.953 1.540 -4.187 1.00 0.84 H new ATOM 0 HA SER A 26 12.784 2.909 -2.876 1.00 0.72 H new ATOM 0 HB2 SER A 26 11.455 3.272 -4.931 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.904 4.258 -4.936 1.00 0.81 H new ATOM 0 HG SER A 26 13.902 2.743 -6.336 1.00 1.40 H new ATOM 379 N LEU A 27 11.206 0.915 -3.700 1.00 0.42 N ATOM 380 CA LEU A 27 10.526 -0.377 -3.704 1.00 0.32 C ATOM 381 C LEU A 27 9.613 -0.506 -4.916 1.00 0.29 C ATOM 382 O LEU A 27 9.094 -1.586 -5.201 1.00 0.41 O ATOM 383 CB LEU A 27 9.712 -0.557 -2.419 1.00 0.35 C ATOM 384 CG LEU A 27 10.519 -0.977 -1.188 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.651 -0.922 0.059 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.092 -2.373 -1.376 1.00 0.43 C ATOM 0 H LEU A 27 10.584 1.716 -3.590 1.00 0.42 H new ATOM 0 HA LEU A 27 11.286 -1.157 -3.756 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.202 0.381 -2.197 1.00 0.35 H new ATOM 0 HB3 LEU A 27 8.940 -1.305 -2.599 1.00 0.35 H new ATOM 0 HG LEU A 27 11.347 -0.279 -1.064 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.239 -1.223 0.926 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.286 0.095 0.204 1.00 0.45 H new ATOM 0 HD13 LEU A 27 8.804 -1.598 -0.057 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.662 -2.654 -0.491 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.279 -3.083 -1.524 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.746 -2.383 -2.248 1.00 0.43 H new ATOM 398 N GLY A 28 9.416 0.601 -5.623 1.00 0.29 N ATOM 399 CA GLY A 28 8.565 0.590 -6.798 1.00 0.31 C ATOM 400 C GLY A 28 7.108 0.847 -6.469 1.00 0.29 C ATOM 401 O GLY A 28 6.222 0.545 -7.267 1.00 0.52 O ATOM 0 H GLY A 28 9.831 1.507 -5.403 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.913 1.347 -7.501 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.655 -0.374 -7.298 1.00 0.31 H new ATOM 405 N ILE A 29 6.858 1.404 -5.290 1.00 0.35 N ATOM 406 CA ILE A 29 5.498 1.699 -4.861 1.00 0.32 C ATOM 407 C ILE A 29 5.097 3.115 -5.263 1.00 0.30 C ATOM 408 O ILE A 29 5.580 4.093 -4.693 1.00 0.35 O ATOM 409 CB ILE A 29 5.346 1.536 -3.335 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.757 0.121 -2.913 1.00 0.46 C ATOM 411 CG2 ILE A 29 3.914 1.827 -2.910 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.780 -0.086 -1.414 1.00 0.84 C ATOM 0 H ILE A 29 7.579 1.660 -4.615 1.00 0.35 H new ATOM 0 HA ILE A 29 4.840 0.986 -5.357 1.00 0.32 H new ATOM 0 HB ILE A 29 6.002 2.251 -2.838 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.068 -0.596 -3.359 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.747 -0.095 -3.316 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.823 1.708 -1.830 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.653 2.849 -3.185 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.238 1.133 -3.410 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.080 -1.110 -1.193 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.491 0.606 -0.962 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.786 0.097 -1.006 1.00 0.84 H new ATOM 424 N SER A 30 4.206 3.215 -6.246 1.00 0.27 N ATOM 425 CA SER A 30 3.742 4.512 -6.726 1.00 0.29 C ATOM 426 C SER A 30 2.349 4.825 -6.191 1.00 0.28 C ATOM 427 O SER A 30 1.349 4.297 -6.682 1.00 0.35 O ATOM 428 CB SER A 30 3.732 4.543 -8.256 1.00 0.33 C ATOM 429 OG SER A 30 3.309 5.807 -8.737 1.00 0.95 O ATOM 0 H SER A 30 3.792 2.415 -6.724 1.00 0.27 H new ATOM 0 HA SER A 30 4.432 5.272 -6.360 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.730 4.322 -8.634 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.068 3.766 -8.634 1.00 0.33 H new ATOM 0 HG SER A 30 3.313 5.802 -9.717 1.00 0.95 H new ATOM 435 N ILE A 31 2.297 5.688 -5.182 1.00 0.25 N ATOM 436 CA ILE A 31 1.036 6.080 -4.569 1.00 0.27 C ATOM 437 C ILE A 31 0.569 7.436 -5.083 1.00 0.31 C ATOM 438 O ILE A 31 1.335 8.178 -5.700 1.00 0.41 O ATOM 439 CB ILE A 31 1.153 6.141 -3.034 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.310 7.061 -2.625 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.348 4.744 -2.464 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.429 7.264 -1.129 1.00 0.39 C ATOM 0 H ILE A 31 3.119 6.131 -4.771 1.00 0.25 H new ATOM 0 HA ILE A 31 0.304 5.320 -4.843 1.00 0.27 H new ATOM 0 HB ILE A 31 0.229 6.551 -2.627 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.244 6.644 -3.001 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.178 8.031 -3.105 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.429 4.802 -1.379 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.495 4.120 -2.731 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.259 4.308 -2.873 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.269 7.926 -0.917 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.510 7.711 -0.748 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.593 6.302 -0.643 1.00 0.39 H new ATOM 454 N SER A 32 -0.694 7.752 -4.822 1.00 0.37 N ATOM 455 CA SER A 32 -1.274 9.018 -5.248 1.00 0.44 C ATOM 456 C SER A 32 -2.347 9.471 -4.264 1.00 0.55 C ATOM 457 O SER A 32 -3.063 8.648 -3.693 1.00 0.59 O ATOM 458 CB SER A 32 -1.871 8.886 -6.651 1.00 0.48 C ATOM 459 OG SER A 32 -0.877 8.532 -7.597 1.00 1.32 O ATOM 0 H SER A 32 -1.338 7.145 -4.315 1.00 0.37 H new ATOM 0 HA SER A 32 -0.483 9.767 -5.272 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.657 8.131 -6.645 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.335 9.828 -6.942 1.00 0.48 H new ATOM 0 HG SER A 32 -1.245 8.608 -8.502 1.00 1.32 H new ATOM 465 N GLY A 33 -2.451 10.781 -4.066 1.00 0.70 N ATOM 466 CA GLY A 33 -3.439 11.315 -3.146 1.00 0.87 C ATOM 467 C GLY A 33 -4.695 11.787 -3.850 1.00 0.88 C ATOM 468 O GLY A 33 -4.630 12.602 -4.770 1.00 0.95 O ATOM 0 H GLY A 33 -1.870 11.482 -4.525 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.702 10.549 -2.416 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -3.003 12.147 -2.592 1.00 0.87 H new ATOM 634 N ILE A 46 -3.948 7.044 1.482 1.00 0.46 N ATOM 635 CA ILE A 46 -2.776 6.622 0.723 1.00 0.39 C ATOM 636 C ILE A 46 -3.048 5.308 -0.003 1.00 0.39 C ATOM 637 O ILE A 46 -3.138 4.251 0.621 1.00 0.57 O ATOM 638 CB ILE A 46 -1.546 6.449 1.638 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.334 7.701 2.498 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.302 6.148 0.810 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.101 8.967 1.697 1.00 0.55 C ATOM 0 HA ILE A 46 -2.565 7.404 -0.006 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.727 5.604 2.303 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.206 7.843 3.137 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.480 7.537 3.156 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.556 6.029 1.472 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.455 5.228 0.245 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.116 6.971 0.120 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.960 9.807 2.377 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.212 8.848 1.078 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.964 9.158 1.059 1.00 0.55 H new ATOM 653 N TYR A 47 -3.179 5.383 -1.325 1.00 0.30 N ATOM 654 CA TYR A 47 -3.448 4.199 -2.134 1.00 0.30 C ATOM 655 C TYR A 47 -2.503 4.121 -3.329 1.00 0.26 C ATOM 656 O TYR A 47 -2.151 5.140 -3.925 1.00 0.29 O ATOM 657 CB TYR A 47 -4.901 4.210 -2.620 1.00 0.36 C ATOM 658 CG TYR A 47 -5.251 5.416 -3.464 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.639 6.612 -2.873 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.194 5.357 -4.850 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.961 7.715 -3.640 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.514 6.457 -5.625 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.896 7.633 -5.014 1.00 0.58 C ATOM 664 OH TYR A 47 -6.216 8.731 -5.781 1.00 0.70 O ATOM 0 H TYR A 47 -3.103 6.250 -1.857 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.283 3.321 -1.509 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -5.088 3.306 -3.199 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.564 4.178 -1.756 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.690 6.681 -1.796 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.895 4.437 -5.331 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.262 8.637 -3.165 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.465 6.395 -6.702 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.118 8.507 -6.730 1.00 0.70 H new ATOM 674 N VAL A 48 -2.096 2.903 -3.673 1.00 0.26 N ATOM 675 CA VAL A 48 -1.197 2.683 -4.800 1.00 0.25 C ATOM 676 C VAL A 48 -1.976 2.606 -6.108 1.00 0.28 C ATOM 677 O VAL A 48 -2.941 1.848 -6.222 1.00 0.39 O ATOM 678 CB VAL A 48 -0.377 1.390 -4.621 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.462 1.105 -5.857 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.505 1.486 -3.385 1.00 0.29 C ATOM 0 H VAL A 48 -2.376 2.052 -3.186 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.513 3.531 -4.835 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.072 0.561 -4.486 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.032 0.188 -5.707 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.192 0.989 -6.722 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.148 1.934 -6.030 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.077 0.565 -3.274 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.190 2.328 -3.491 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.119 1.635 -2.504 1.00 0.29 H new ATOM 690 N LYS A 49 -1.552 3.391 -7.093 1.00 0.31 N ATOM 691 CA LYS A 49 -2.213 3.411 -8.392 1.00 0.38 C ATOM 692 C LYS A 49 -1.353 2.731 -9.452 1.00 0.32 C ATOM 693 O LYS A 49 -1.865 2.250 -10.463 1.00 0.37 O ATOM 694 CB LYS A 49 -2.517 4.851 -8.814 1.00 0.49 C ATOM 695 CG LYS A 49 -3.348 4.950 -10.085 1.00 0.61 C ATOM 696 CD LYS A 49 -3.579 6.397 -10.501 1.00 0.84 C ATOM 697 CE LYS A 49 -2.287 7.068 -10.944 1.00 1.65 C ATOM 698 NZ LYS A 49 -2.520 8.457 -11.430 1.00 2.40 N ATOM 0 H LYS A 49 -0.754 4.021 -7.016 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.150 2.861 -8.301 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.045 5.354 -8.004 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.578 5.384 -8.961 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.844 4.417 -10.891 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.309 4.459 -9.930 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -4.304 6.431 -11.314 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -4.010 6.951 -9.667 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -1.584 7.088 -10.111 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -1.825 6.479 -11.736 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -1.615 8.879 -11.722 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.171 8.436 -12.241 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -2.937 9.027 -10.666 1.00 2.40 H new ATOM 712 N SER A 50 -0.043 2.692 -9.215 1.00 0.28 N ATOM 713 CA SER A 50 0.876 2.072 -10.161 1.00 0.35 C ATOM 714 C SER A 50 2.106 1.506 -9.455 1.00 0.28 C ATOM 715 O SER A 50 2.321 1.746 -8.266 1.00 0.25 O ATOM 716 CB SER A 50 1.306 3.090 -11.219 1.00 0.49 C ATOM 717 OG SER A 50 2.190 2.509 -12.162 1.00 1.28 O ATOM 0 H SER A 50 0.401 3.080 -8.382 1.00 0.28 H new ATOM 0 HA SER A 50 0.353 1.246 -10.643 1.00 0.35 H new ATOM 0 HB2 SER A 50 0.426 3.478 -11.733 1.00 0.49 H new ATOM 0 HB3 SER A 50 1.792 3.937 -10.735 1.00 0.49 H new ATOM 0 HG SER A 50 2.447 3.181 -12.827 1.00 1.28 H new ATOM 723 N LEU A 51 2.905 0.751 -10.201 1.00 0.32 N ATOM 724 CA LEU A 51 4.119 0.146 -9.666 1.00 0.27 C ATOM 725 C LEU A 51 5.280 0.323 -10.639 1.00 0.27 C ATOM 726 O LEU A 51 5.075 0.518 -11.837 1.00 0.42 O ATOM 727 CB LEU A 51 3.894 -1.343 -9.389 1.00 0.30 C ATOM 728 CG LEU A 51 2.924 -1.658 -8.247 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.595 -3.141 -8.222 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.511 -1.224 -6.912 1.00 0.32 C ATOM 0 H LEU A 51 2.732 0.543 -11.184 1.00 0.32 H new ATOM 0 HA LEU A 51 4.367 0.647 -8.730 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.522 -1.813 -10.299 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.856 -1.803 -9.163 1.00 0.30 H new ATOM 0 HG LEU A 51 2.003 -1.101 -8.417 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.904 -3.347 -7.404 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.134 -3.427 -9.167 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.511 -3.714 -8.077 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.807 -1.456 -6.113 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.447 -1.754 -6.737 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.700 -0.151 -6.929 1.00 0.32 H new ATOM 742 N ILE A 52 6.500 0.256 -10.116 1.00 0.24 N ATOM 743 CA ILE A 52 7.693 0.407 -10.938 1.00 0.24 C ATOM 744 C ILE A 52 8.325 -0.952 -11.242 1.00 0.23 C ATOM 745 O ILE A 52 8.969 -1.545 -10.377 1.00 0.28 O ATOM 746 CB ILE A 52 8.736 1.307 -10.254 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.136 2.690 -9.991 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.990 1.414 -11.114 1.00 0.31 C ATOM 749 CD1 ILE A 52 9.085 3.649 -9.309 1.00 1.26 C ATOM 0 H ILE A 52 6.687 0.098 -9.126 1.00 0.24 H new ATOM 0 HA ILE A 52 7.379 0.876 -11.871 1.00 0.24 H new ATOM 0 HB ILE A 52 9.018 0.864 -9.299 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.816 3.123 -10.939 1.00 0.36 H new ATOM 0 HG13 ILE A 52 7.244 2.577 -9.375 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.719 2.054 -10.617 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.418 0.422 -11.259 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.732 1.843 -12.082 1.00 0.31 H new ATOM 0 HD11 ILE A 52 8.587 4.607 -9.157 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.386 3.239 -8.345 1.00 1.26 H new ATOM 0 HD13 ILE A 52 9.967 3.793 -9.933 1.00 1.26 H new ATOM 761 N PRO A 53 8.146 -1.468 -12.476 1.00 0.31 N ATOM 762 CA PRO A 53 8.707 -2.762 -12.876 1.00 0.35 C ATOM 763 C PRO A 53 10.216 -2.828 -12.661 1.00 0.34 C ATOM 764 O PRO A 53 10.948 -1.914 -13.039 1.00 0.46 O ATOM 765 CB PRO A 53 8.374 -2.867 -14.372 1.00 0.43 C ATOM 766 CG PRO A 53 7.977 -1.490 -14.790 1.00 0.82 C ATOM 767 CD PRO A 53 7.391 -0.842 -13.572 1.00 0.47 C ATOM 0 HA PRO A 53 8.294 -3.578 -12.283 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.235 -3.217 -14.942 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.566 -3.578 -14.545 1.00 0.43 H new ATOM 0 HG2 PRO A 53 8.838 -0.929 -15.154 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.251 -1.523 -15.602 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.522 0.240 -13.587 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.321 -1.033 -13.487 1.00 0.47 H new ATOM 775 N GLY A 54 10.672 -3.917 -12.048 1.00 0.39 N ATOM 776 CA GLY A 54 12.089 -4.085 -11.789 1.00 0.41 C ATOM 777 C GLY A 54 12.425 -3.993 -10.314 1.00 0.39 C ATOM 778 O GLY A 54 13.440 -4.528 -9.867 1.00 0.49 O ATOM 0 H GLY A 54 10.084 -4.686 -11.726 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.413 -5.053 -12.172 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.647 -3.323 -12.334 1.00 0.41 H new ATOM 782 N SER A 55 11.571 -3.313 -9.556 1.00 0.35 N ATOM 783 CA SER A 55 11.784 -3.152 -8.122 1.00 0.35 C ATOM 784 C SER A 55 11.327 -4.392 -7.361 1.00 0.32 C ATOM 785 O SER A 55 10.878 -5.369 -7.961 1.00 0.36 O ATOM 786 CB SER A 55 11.039 -1.918 -7.608 1.00 0.37 C ATOM 787 OG SER A 55 11.511 -0.739 -8.238 1.00 1.23 O ATOM 0 H SER A 55 10.726 -2.865 -9.910 1.00 0.35 H new ATOM 0 HA SER A 55 12.852 -3.018 -7.952 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.971 -2.031 -7.793 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.168 -1.834 -6.529 1.00 0.37 H new ATOM 0 HG SER A 55 11.018 0.035 -7.894 1.00 1.23 H new ATOM 793 N ALA A 56 11.443 -4.349 -6.038 1.00 0.35 N ATOM 794 CA ALA A 56 11.047 -5.473 -5.200 1.00 0.36 C ATOM 795 C ALA A 56 9.541 -5.716 -5.265 1.00 0.32 C ATOM 796 O ALA A 56 9.095 -6.834 -5.528 1.00 0.34 O ATOM 797 CB ALA A 56 11.482 -5.235 -3.762 1.00 0.42 C ATOM 0 H ALA A 56 11.808 -3.547 -5.524 1.00 0.35 H new ATOM 0 HA ALA A 56 11.544 -6.365 -5.580 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.180 -6.082 -3.146 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.566 -5.126 -3.723 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.012 -4.327 -3.385 1.00 0.42 H new ATOM 803 N ALA A 57 8.764 -4.663 -5.024 1.00 0.30 N ATOM 804 CA ALA A 57 7.307 -4.757 -5.047 1.00 0.30 C ATOM 805 C ALA A 57 6.801 -5.318 -6.372 1.00 0.30 C ATOM 806 O ALA A 57 5.804 -6.040 -6.409 1.00 0.35 O ATOM 807 CB ALA A 57 6.685 -3.393 -4.786 1.00 0.32 C ATOM 0 H ALA A 57 9.121 -3.732 -4.810 1.00 0.30 H new ATOM 0 HA ALA A 57 7.008 -5.445 -4.256 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.599 -3.479 -4.806 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.002 -3.029 -3.809 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.008 -2.692 -5.556 1.00 0.32 H new ATOM 813 N ALA A 58 7.492 -4.983 -7.456 1.00 0.31 N ATOM 814 CA ALA A 58 7.109 -5.451 -8.784 1.00 0.33 C ATOM 815 C ALA A 58 7.400 -6.940 -8.951 1.00 0.34 C ATOM 816 O ALA A 58 6.538 -7.706 -9.381 1.00 0.44 O ATOM 817 CB ALA A 58 7.830 -4.647 -9.855 1.00 0.37 C ATOM 0 H ALA A 58 8.321 -4.389 -7.442 1.00 0.31 H new ATOM 0 HA ALA A 58 6.035 -5.305 -8.896 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.535 -5.007 -10.841 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.566 -3.594 -9.759 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.907 -4.763 -9.734 1.00 0.37 H new ATOM 823 N LEU A 59 8.622 -7.340 -8.610 1.00 0.35 N ATOM 824 CA LEU A 59 9.031 -8.736 -8.722 1.00 0.39 C ATOM 825 C LEU A 59 8.214 -9.622 -7.785 1.00 0.42 C ATOM 826 O LEU A 59 8.140 -10.836 -7.971 1.00 0.57 O ATOM 827 CB LEU A 59 10.521 -8.880 -8.405 1.00 0.47 C ATOM 828 CG LEU A 59 11.463 -8.112 -9.334 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.887 -8.151 -8.802 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.405 -8.683 -10.745 1.00 0.61 C ATOM 0 H LEU A 59 9.346 -6.716 -8.254 1.00 0.35 H new ATOM 0 HA LEU A 59 8.850 -9.058 -9.747 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.692 -8.544 -7.382 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.783 -9.937 -8.442 1.00 0.47 H new ATOM 0 HG LEU A 59 11.137 -7.072 -9.370 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.542 -7.600 -9.476 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.918 -7.696 -7.812 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.222 -9.186 -8.736 1.00 0.66 H new ATOM 0 HD21 LEU A 59 12.081 -8.124 -11.392 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.704 -9.731 -10.726 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.388 -8.603 -11.128 1.00 0.61 H new ATOM 842 N ASP A 60 7.605 -9.004 -6.778 1.00 0.44 N ATOM 843 CA ASP A 60 6.794 -9.734 -5.809 1.00 0.52 C ATOM 844 C ASP A 60 5.604 -10.405 -6.490 1.00 0.61 C ATOM 845 O ASP A 60 5.421 -11.618 -6.386 1.00 0.79 O ATOM 846 CB ASP A 60 6.313 -8.793 -4.704 1.00 0.74 C ATOM 847 CG ASP A 60 5.429 -9.493 -3.692 1.00 1.08 C ATOM 848 OD1 ASP A 60 5.974 -10.184 -2.807 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.192 -9.348 -3.783 1.00 1.86 O ATOM 0 H ASP A 60 7.658 -7.999 -6.611 1.00 0.44 H new ATOM 0 HA ASP A 60 7.414 -10.512 -5.363 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.176 -8.365 -4.194 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.764 -7.964 -5.150 1.00 0.74 H new ATOM 854 N GLY A 61 4.796 -9.609 -7.184 1.00 0.72 N ATOM 855 CA GLY A 61 3.641 -10.149 -7.879 1.00 1.06 C ATOM 856 C GLY A 61 2.354 -10.004 -7.091 1.00 0.83 C ATOM 857 O GLY A 61 1.356 -9.505 -7.611 1.00 0.94 O ATOM 0 H GLY A 61 4.920 -8.601 -7.278 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.532 -9.643 -8.838 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.813 -11.204 -8.093 1.00 1.06 H new ATOM 861 N ARG A 62 2.375 -10.443 -5.835 1.00 0.63 N ATOM 862 CA ARG A 62 1.197 -10.367 -4.976 1.00 0.59 C ATOM 863 C ARG A 62 0.676 -8.937 -4.876 1.00 0.52 C ATOM 864 O ARG A 62 -0.516 -8.715 -4.664 1.00 0.69 O ATOM 865 CB ARG A 62 1.519 -10.907 -3.582 1.00 0.67 C ATOM 866 CG ARG A 62 1.876 -12.385 -3.574 1.00 0.81 C ATOM 867 CD ARG A 62 2.232 -12.867 -2.177 1.00 1.05 C ATOM 868 NE ARG A 62 3.443 -12.229 -1.667 1.00 1.31 N ATOM 869 CZ ARG A 62 4.059 -12.602 -0.549 1.00 1.93 C ATOM 870 NH1 ARG A 62 3.581 -13.609 0.171 1.00 2.26 N ATOM 871 NH2 ARG A 62 5.157 -11.972 -0.152 1.00 2.59 N ATOM 0 H ARG A 62 3.195 -10.855 -5.390 1.00 0.63 H new ATOM 0 HA ARG A 62 0.417 -10.982 -5.425 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.349 -10.338 -3.163 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.660 -10.745 -2.930 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.036 -12.965 -3.957 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.717 -12.561 -4.245 1.00 0.81 H new ATOM 0 HD2 ARG A 62 1.402 -12.661 -1.501 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.371 -13.948 -2.192 1.00 1.05 H new ATOM 0 HE ARG A 62 3.839 -11.453 -2.198 1.00 1.31 H new ATOM 0 HH11 ARG A 62 2.739 -14.099 -0.133 1.00 2.26 H new ATOM 0 HH12 ARG A 62 4.055 -13.893 1.028 1.00 2.26 H new ATOM 0 HH21 ARG A 62 5.530 -11.200 -0.705 1.00 2.59 H new ATOM 0 HH22 ARG A 62 5.628 -12.260 0.706 1.00 2.59 H new ATOM 885 N ILE A 63 1.576 -7.970 -5.030 1.00 0.48 N ATOM 886 CA ILE A 63 1.198 -6.564 -4.962 1.00 0.48 C ATOM 887 C ILE A 63 0.607 -6.099 -6.288 1.00 0.49 C ATOM 888 O ILE A 63 1.328 -5.914 -7.268 1.00 0.59 O ATOM 889 CB ILE A 63 2.401 -5.670 -4.602 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.039 -6.143 -3.293 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.965 -4.216 -4.492 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.323 -5.420 -2.948 1.00 0.92 C ATOM 0 H ILE A 63 2.568 -8.134 -5.202 1.00 0.48 H new ATOM 0 HA ILE A 63 0.448 -6.472 -4.176 1.00 0.48 H new ATOM 0 HB ILE A 63 3.145 -5.746 -5.395 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.325 -6.006 -2.481 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.241 -7.212 -3.363 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.825 -3.597 -4.237 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.551 -3.887 -5.445 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.207 -4.121 -3.715 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.718 -5.807 -2.009 1.00 0.92 H new ATOM 0 HD12 ILE A 63 5.054 -5.578 -3.741 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.124 -4.353 -2.845 1.00 0.92 H new ATOM 904 N GLU A 64 -0.708 -5.913 -6.310 1.00 0.51 N ATOM 905 CA GLU A 64 -1.399 -5.470 -7.515 1.00 0.58 C ATOM 906 C GLU A 64 -1.864 -4.021 -7.365 1.00 0.56 C ATOM 907 O GLU A 64 -2.364 -3.637 -6.307 1.00 0.66 O ATOM 908 CB GLU A 64 -2.595 -6.383 -7.799 1.00 0.79 C ATOM 909 CG GLU A 64 -3.249 -6.137 -9.150 1.00 1.09 C ATOM 910 CD GLU A 64 -4.353 -7.131 -9.456 1.00 1.39 C ATOM 911 OE1 GLU A 64 -4.042 -8.225 -9.970 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.529 -6.813 -9.181 1.00 1.98 O ATOM 0 H GLU A 64 -1.318 -6.062 -5.506 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.705 -5.524 -8.354 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.267 -7.421 -7.748 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.340 -6.245 -7.015 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.659 -5.127 -9.172 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -2.491 -6.191 -9.931 1.00 1.09 H new ATOM 919 N PRO A 65 -1.702 -3.193 -8.419 1.00 0.56 N ATOM 920 CA PRO A 65 -2.109 -1.782 -8.386 1.00 0.64 C ATOM 921 C PRO A 65 -3.564 -1.598 -7.966 1.00 0.72 C ATOM 922 O PRO A 65 -4.295 -2.571 -7.778 1.00 1.44 O ATOM 923 CB PRO A 65 -1.912 -1.318 -9.832 1.00 0.77 C ATOM 924 CG PRO A 65 -0.875 -2.233 -10.383 1.00 0.83 C ATOM 925 CD PRO A 65 -1.105 -3.561 -9.719 1.00 0.62 C ATOM 0 HA PRO A 65 -1.531 -1.215 -7.656 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.840 -1.384 -10.399 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.586 -0.279 -9.874 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -0.964 -2.317 -11.466 1.00 0.83 H new ATOM 0 HG3 PRO A 65 0.127 -1.859 -10.173 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.773 -4.193 -10.304 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.174 -4.114 -9.592 1.00 0.62 H new ATOM 933 N ASN A 66 -3.974 -0.340 -7.825 1.00 0.60 N ATOM 934 CA ASN A 66 -5.340 -0.013 -7.428 1.00 0.59 C ATOM 935 C ASN A 66 -5.653 -0.571 -6.042 1.00 0.51 C ATOM 936 O ASN A 66 -6.766 -1.028 -5.780 1.00 0.73 O ATOM 937 CB ASN A 66 -6.338 -0.554 -8.456 1.00 0.66 C ATOM 938 CG ASN A 66 -6.122 0.030 -9.839 1.00 1.34 C ATOM 939 OD1 ASN A 66 -5.654 1.272 -9.894 1.00 2.15 O flip ATOM 940 ND2 ASN A 66 -6.377 -0.629 -10.848 1.00 2.01 N flip ATOM 0 H ASN A 66 -3.377 0.472 -7.981 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.431 1.072 -7.387 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.251 -1.639 -8.506 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.352 -0.331 -8.125 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -6.735 -1.580 -10.759 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -6.230 -0.224 -11.772 1.00 2.01 H new ATOM 947 N ASP A 67 -4.661 -0.524 -5.157 1.00 0.36 N ATOM 948 CA ASP A 67 -4.822 -1.017 -3.792 1.00 0.34 C ATOM 949 C ASP A 67 -4.748 0.134 -2.795 1.00 0.30 C ATOM 950 O ASP A 67 -4.257 1.215 -3.120 1.00 0.38 O ATOM 951 CB ASP A 67 -3.745 -2.055 -3.472 1.00 0.41 C ATOM 952 CG ASP A 67 -2.344 -1.486 -3.573 1.00 1.17 C ATOM 953 OD1 ASP A 67 -1.837 -0.968 -2.556 1.00 1.46 O ATOM 954 OD2 ASP A 67 -1.751 -1.560 -4.670 1.00 2.02 O ATOM 0 H ASP A 67 -3.735 -0.149 -5.361 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.802 -1.487 -3.711 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.905 -2.442 -2.466 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.842 -2.898 -4.157 1.00 0.41 H new ATOM 959 N LYS A 68 -5.239 -0.101 -1.580 1.00 0.27 N ATOM 960 CA LYS A 68 -5.224 0.925 -0.544 1.00 0.28 C ATOM 961 C LYS A 68 -4.239 0.570 0.566 1.00 0.26 C ATOM 962 O LYS A 68 -4.404 -0.434 1.258 1.00 0.38 O ATOM 963 CB LYS A 68 -6.628 1.106 0.037 1.00 0.37 C ATOM 964 CG LYS A 68 -6.718 2.190 1.096 1.00 0.53 C ATOM 965 CD LYS A 68 -8.157 2.430 1.525 1.00 0.53 C ATOM 966 CE LYS A 68 -8.252 3.555 2.540 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.662 3.851 2.916 1.00 1.02 N ATOM 0 H LYS A 68 -5.650 -0.989 -1.291 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.901 1.862 -0.998 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.318 1.344 -0.772 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.957 0.161 0.469 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -6.121 1.904 1.962 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.293 3.116 0.708 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.763 2.673 0.652 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.568 1.516 1.953 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.688 3.286 3.433 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.790 4.453 2.130 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.681 4.625 3.611 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -10.195 4.133 2.069 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -10.096 3.002 3.332 1.00 1.02 H new ATOM 981 N ILE A 69 -3.215 1.402 0.728 1.00 0.24 N ATOM 982 CA ILE A 69 -2.204 1.182 1.756 1.00 0.21 C ATOM 983 C ILE A 69 -2.730 1.587 3.130 1.00 0.21 C ATOM 984 O ILE A 69 -3.511 2.530 3.252 1.00 0.29 O ATOM 985 CB ILE A 69 -0.916 1.976 1.456 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.408 1.659 0.047 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.155 1.672 2.494 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.029 0.206 -0.155 1.00 0.28 C ATOM 0 H ILE A 69 -3.063 2.235 0.160 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.972 0.117 1.755 1.00 0.21 H new ATOM 0 HB ILE A 69 -1.147 3.040 1.507 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.179 1.927 -0.676 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.460 2.284 -0.165 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.056 2.242 2.265 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.208 1.950 3.484 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.385 0.607 2.478 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.321 0.060 -1.177 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.764 -0.063 0.542 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.899 -0.425 0.024 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.296 0.867 4.162 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.727 1.152 5.525 1.00 0.21 C ATOM 1002 C LEU A 70 -1.533 1.418 6.439 1.00 0.20 C ATOM 1003 O LEU A 70 -1.397 2.507 7.000 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.552 -0.015 6.073 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.725 -0.453 5.192 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.408 -1.677 5.784 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.723 0.684 5.021 1.00 0.38 C ATOM 0 H LEU A 70 -1.648 0.084 4.079 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.344 2.050 5.500 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.891 -0.869 6.221 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.938 0.263 7.054 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.335 -0.717 4.209 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.239 -1.974 5.145 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.692 -2.496 5.852 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.783 -1.439 6.779 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.549 0.352 4.392 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.107 0.981 5.997 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.229 1.535 4.552 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.665 0.419 6.587 1.00 0.20 N ATOM 1020 CA ARG A 71 0.506 0.558 7.447 1.00 0.25 C ATOM 1021 C ARG A 71 1.715 -0.181 6.882 1.00 0.18 C ATOM 1022 O ARG A 71 1.588 -1.263 6.309 1.00 0.26 O ATOM 1023 CB ARG A 71 0.196 0.033 8.850 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.958 0.749 9.531 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.191 0.217 10.935 1.00 0.77 C ATOM 1026 NE ARG A 71 -0.016 0.387 11.787 1.00 1.38 N ATOM 1027 CZ ARG A 71 -0.011 0.145 13.094 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.113 -0.278 13.698 1.00 1.17 N ATOM 1029 NH2 ARG A 71 1.098 0.324 13.799 1.00 2.61 N ATOM 0 H ARG A 71 -0.750 -0.487 6.127 1.00 0.20 H new ATOM 0 HA ARG A 71 0.750 1.619 7.496 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.035 -1.030 8.787 1.00 0.38 H new ATOM 0 HB3 ARG A 71 1.088 0.130 9.469 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.749 1.818 9.576 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.865 0.626 8.939 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -2.041 0.733 11.382 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.452 -0.840 10.883 1.00 0.77 H new ATOM 0 HE ARG A 71 0.849 0.710 11.354 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.968 -0.419 13.160 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.106 -0.463 14.701 1.00 1.17 H new ATOM 0 HH21 ARG A 71 1.948 0.648 13.338 1.00 2.61 H new ATOM 0 HH22 ARG A 71 1.100 0.138 14.802 1.00 2.61 H new ATOM 1043 N VAL A 72 2.888 0.421 7.053 1.00 0.21 N ATOM 1044 CA VAL A 72 4.139 -0.167 6.589 1.00 0.17 C ATOM 1045 C VAL A 72 4.857 -0.834 7.761 1.00 0.17 C ATOM 1046 O VAL A 72 4.402 -0.736 8.900 1.00 0.20 O ATOM 1047 CB VAL A 72 5.056 0.907 5.957 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.214 0.273 5.198 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.252 1.817 5.041 1.00 0.28 C ATOM 0 H VAL A 72 2.998 1.324 7.514 1.00 0.21 H new ATOM 0 HA VAL A 72 3.908 -0.911 5.827 1.00 0.17 H new ATOM 0 HB VAL A 72 5.477 1.505 6.765 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.838 1.056 4.767 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.810 -0.331 5.882 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.824 -0.360 4.401 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.911 2.567 4.604 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.799 1.225 4.246 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.469 2.312 5.616 1.00 0.28 H new ATOM 1059 N ASP A 73 5.957 -1.527 7.483 1.00 0.18 N ATOM 1060 CA ASP A 73 6.727 -2.195 8.529 1.00 0.21 C ATOM 1061 C ASP A 73 6.963 -1.272 9.724 1.00 0.22 C ATOM 1062 O ASP A 73 7.746 -0.324 9.642 1.00 0.23 O ATOM 1063 CB ASP A 73 8.071 -2.663 7.969 1.00 0.26 C ATOM 1064 CG ASP A 73 8.827 -3.551 8.937 1.00 0.47 C ATOM 1065 OD1 ASP A 73 9.595 -3.012 9.762 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.654 -4.786 8.868 1.00 0.79 O ATOM 0 H ASP A 73 6.336 -1.641 6.543 1.00 0.18 H new ATOM 0 HA ASP A 73 6.151 -3.055 8.871 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.904 -3.205 7.038 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.682 -1.794 7.726 1.00 0.26 H new ATOM 1071 N ASP A 74 6.282 -1.560 10.833 1.00 0.25 N ATOM 1072 CA ASP A 74 6.414 -0.766 12.055 1.00 0.29 C ATOM 1073 C ASP A 74 6.175 0.721 11.792 1.00 0.25 C ATOM 1074 O ASP A 74 6.788 1.579 12.430 1.00 0.29 O ATOM 1075 CB ASP A 74 7.801 -0.973 12.671 1.00 0.35 C ATOM 1076 CG ASP A 74 8.015 -2.397 13.144 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.692 -2.689 14.315 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.503 -3.221 12.342 1.00 2.01 O ATOM 0 H ASP A 74 5.630 -2.341 10.910 1.00 0.25 H new ATOM 0 HA ASP A 74 5.651 -1.107 12.755 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.564 -0.719 11.936 1.00 0.35 H new ATOM 0 HB3 ASP A 74 7.928 -0.291 13.511 1.00 0.35 H new ATOM 1083 N VAL A 75 5.277 1.020 10.855 1.00 0.27 N ATOM 1084 CA VAL A 75 4.955 2.402 10.505 1.00 0.27 C ATOM 1085 C VAL A 75 3.494 2.528 10.077 1.00 0.37 C ATOM 1086 O VAL A 75 2.922 1.598 9.508 1.00 0.79 O ATOM 1087 CB VAL A 75 5.856 2.926 9.361 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.470 4.346 8.973 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.323 2.865 9.757 1.00 0.41 C ATOM 0 H VAL A 75 4.758 0.321 10.323 1.00 0.27 H new ATOM 0 HA VAL A 75 5.131 3.002 11.398 1.00 0.27 H new ATOM 0 HB VAL A 75 5.706 2.281 8.495 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.118 4.692 8.167 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.433 4.362 8.638 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.583 5.002 9.836 1.00 0.40 H new ATOM 0 HG21 VAL A 75 7.937 3.238 8.937 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.487 3.480 10.642 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.598 1.833 9.976 1.00 0.41 H new ATOM 1099 N ASN A 76 2.892 3.680 10.363 1.00 0.30 N ATOM 1100 CA ASN A 76 1.502 3.934 9.999 1.00 0.37 C ATOM 1101 C ASN A 76 1.417 5.070 8.982 1.00 0.42 C ATOM 1102 O ASN A 76 1.917 6.167 9.230 1.00 0.58 O ATOM 1103 CB ASN A 76 0.682 4.277 11.245 1.00 0.46 C ATOM 1104 CG ASN A 76 -0.757 4.621 10.917 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -1.022 5.902 10.690 1.00 2.24 O flip ATOM 1106 ND2 ASN A 76 -1.620 3.745 10.867 1.00 2.08 N flip ATOM 0 H ASN A 76 3.347 4.454 10.847 1.00 0.30 H new ATOM 0 HA ASN A 76 1.091 3.031 9.547 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.702 3.432 11.933 1.00 0.46 H new ATOM 0 HB3 ASN A 76 1.145 5.119 11.760 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -1.371 2.773 11.049 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -2.584 3.991 10.644 1.00 2.08 H new ATOM 1113 N VAL A 77 0.778 4.807 7.842 1.00 0.35 N ATOM 1114 CA VAL A 77 0.648 5.820 6.796 1.00 0.43 C ATOM 1115 C VAL A 77 -0.775 6.362 6.716 1.00 0.53 C ATOM 1116 O VAL A 77 -1.204 6.855 5.672 1.00 0.67 O ATOM 1117 CB VAL A 77 1.054 5.267 5.417 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.503 4.808 5.428 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.133 4.131 5.001 1.00 0.53 C ATOM 0 H VAL A 77 0.346 3.910 7.621 1.00 0.35 H new ATOM 0 HA VAL A 77 1.324 6.631 7.066 1.00 0.43 H new ATOM 0 HB VAL A 77 0.956 6.069 4.686 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.770 4.421 4.445 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.150 5.650 5.674 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.630 4.023 6.174 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.437 3.755 4.024 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.193 3.327 5.734 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.893 4.496 4.946 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.503 6.267 7.822 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.875 6.756 7.876 1.00 0.72 C ATOM 1131 C GLN A 78 -2.924 8.163 8.462 1.00 0.61 C ATOM 1132 O GLN A 78 -3.876 8.526 9.154 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.746 5.812 8.708 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.931 4.438 8.082 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.839 4.461 6.866 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -4.912 5.458 6.146 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -5.539 3.358 6.631 1.00 1.05 N ATOM 0 H GLN A 78 -1.166 5.856 8.693 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.263 6.790 6.858 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.298 5.694 9.695 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.725 6.269 8.854 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.957 4.041 7.795 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.346 3.758 8.826 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -5.449 2.554 7.253 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.167 3.314 5.829 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.892 8.954 8.178 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.837 10.311 8.684 1.00 0.48 C ATOM 1148 C GLY A 79 -0.532 11.009 8.354 1.00 0.41 C ATOM 1149 O GLY A 79 -0.145 11.963 9.030 1.00 0.55 O ATOM 0 H GLY A 79 -1.094 8.677 7.606 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.665 10.883 8.267 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.973 10.296 9.765 1.00 0.48 H new ATOM 1153 N MET A 80 0.152 10.534 7.316 1.00 0.32 N ATOM 1154 CA MET A 80 1.419 11.129 6.903 1.00 0.33 C ATOM 1155 C MET A 80 1.323 11.690 5.486 1.00 0.30 C ATOM 1156 O MET A 80 0.644 11.126 4.628 1.00 0.34 O ATOM 1157 CB MET A 80 2.544 10.095 6.984 1.00 0.39 C ATOM 1158 CG MET A 80 2.737 9.520 8.378 1.00 0.46 C ATOM 1159 SD MET A 80 4.275 8.592 8.543 1.00 0.52 S ATOM 1160 CE MET A 80 4.084 7.373 7.245 1.00 0.48 C ATOM 0 H MET A 80 -0.149 9.742 6.748 1.00 0.32 H new ATOM 0 HA MET A 80 1.644 11.951 7.583 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.331 9.282 6.290 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.476 10.557 6.657 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.728 10.332 9.106 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.897 8.868 8.617 1.00 0.46 H new ATOM 0 HE1 MET A 80 3.894 6.396 7.689 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.246 7.650 6.606 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.996 7.330 6.649 1.00 0.48 H new ATOM 1170 N ALA A 81 2.010 12.806 5.253 1.00 0.29 N ATOM 1171 CA ALA A 81 2.005 13.454 3.946 1.00 0.31 C ATOM 1172 C ALA A 81 2.572 12.537 2.868 1.00 0.26 C ATOM 1173 O ALA A 81 3.314 11.602 3.165 1.00 0.23 O ATOM 1174 CB ALA A 81 2.793 14.753 4.003 1.00 0.39 C ATOM 0 H ALA A 81 2.578 13.280 5.955 1.00 0.29 H new ATOM 0 HA ALA A 81 0.970 13.675 3.684 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.783 15.228 3.022 1.00 0.39 H new ATOM 0 HB2 ALA A 81 2.340 15.422 4.735 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.822 14.542 4.293 1.00 0.39 H new ATOM 1180 N GLN A 82 2.219 12.816 1.616 1.00 0.33 N ATOM 1181 CA GLN A 82 2.683 12.014 0.485 1.00 0.35 C ATOM 1182 C GLN A 82 4.201 11.847 0.508 1.00 0.31 C ATOM 1183 O GLN A 82 4.712 10.730 0.619 1.00 0.31 O ATOM 1184 CB GLN A 82 2.253 12.667 -0.832 1.00 0.42 C ATOM 1185 CG GLN A 82 2.589 11.843 -2.064 1.00 0.51 C ATOM 1186 CD GLN A 82 1.653 10.666 -2.258 1.00 0.76 C ATOM 1187 OE1 GLN A 82 1.129 10.106 -1.294 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.433 10.287 -3.511 1.00 0.74 N ATOM 0 H GLN A 82 1.611 13.593 1.358 1.00 0.33 H new ATOM 0 HA GLN A 82 2.231 11.025 0.566 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.177 12.842 -0.806 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.733 13.642 -0.917 1.00 0.42 H new ATOM 0 HG2 GLN A 82 2.548 12.483 -2.945 1.00 0.51 H new ATOM 0 HG3 GLN A 82 3.613 11.478 -1.983 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.888 10.779 -4.280 1.00 0.74 H new ATOM 0 HE22 GLN A 82 0.809 9.504 -3.705 1.00 0.74 H new ATOM 1197 N SER A 83 4.912 12.965 0.405 1.00 0.32 N ATOM 1198 CA SER A 83 6.371 12.952 0.406 1.00 0.35 C ATOM 1199 C SER A 83 6.920 12.195 1.612 1.00 0.30 C ATOM 1200 O SER A 83 7.963 11.547 1.522 1.00 0.35 O ATOM 1201 CB SER A 83 6.911 14.384 0.400 1.00 0.44 C ATOM 1202 OG SER A 83 6.483 15.097 1.548 1.00 1.48 O ATOM 0 H SER A 83 4.500 13.894 0.320 1.00 0.32 H new ATOM 0 HA SER A 83 6.701 12.437 -0.496 1.00 0.35 H new ATOM 0 HB2 SER A 83 8.000 14.365 0.366 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.573 14.899 -0.499 1.00 0.44 H new ATOM 0 HG SER A 83 6.843 16.008 1.520 1.00 1.48 H new ATOM 1208 N ASP A 84 6.213 12.275 2.735 1.00 0.24 N ATOM 1209 CA ASP A 84 6.639 11.597 3.954 1.00 0.24 C ATOM 1210 C ASP A 84 6.654 10.083 3.759 1.00 0.20 C ATOM 1211 O ASP A 84 7.589 9.404 4.184 1.00 0.24 O ATOM 1212 CB ASP A 84 5.718 11.963 5.118 1.00 0.27 C ATOM 1213 CG ASP A 84 6.217 11.421 6.443 1.00 1.03 C ATOM 1214 OD1 ASP A 84 6.053 10.207 6.688 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.770 12.211 7.237 1.00 0.97 O ATOM 0 H ASP A 84 5.344 12.802 2.826 1.00 0.24 H new ATOM 0 HA ASP A 84 7.652 11.926 4.185 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.631 13.048 5.182 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.719 11.574 4.923 1.00 0.27 H new ATOM 1220 N VAL A 85 5.612 9.561 3.117 1.00 0.19 N ATOM 1221 CA VAL A 85 5.511 8.127 2.866 1.00 0.22 C ATOM 1222 C VAL A 85 6.665 7.653 1.986 1.00 0.21 C ATOM 1223 O VAL A 85 7.215 6.570 2.193 1.00 0.24 O ATOM 1224 CB VAL A 85 4.175 7.762 2.187 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.989 6.254 2.143 1.00 0.32 C ATOM 1226 CG2 VAL A 85 3.009 8.425 2.905 1.00 0.30 C ATOM 0 H VAL A 85 4.828 10.108 2.762 1.00 0.19 H new ATOM 0 HA VAL A 85 5.558 7.628 3.834 1.00 0.22 H new ATOM 0 HB VAL A 85 4.201 8.133 1.162 1.00 0.27 H new ATOM 0 HG11 VAL A 85 3.041 6.018 1.660 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.805 5.803 1.579 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.988 5.858 3.158 1.00 0.32 H new ATOM 0 HG21 VAL A 85 2.076 8.155 2.410 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.981 8.088 3.941 1.00 0.30 H new ATOM 0 HG23 VAL A 85 3.133 9.508 2.878 1.00 0.30 H new ATOM 1236 N VAL A 86 7.027 8.477 1.005 1.00 0.22 N ATOM 1237 CA VAL A 86 8.117 8.149 0.095 1.00 0.25 C ATOM 1238 C VAL A 86 9.441 8.040 0.845 1.00 0.24 C ATOM 1239 O VAL A 86 10.281 7.200 0.523 1.00 0.26 O ATOM 1240 CB VAL A 86 8.257 9.204 -1.020 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.318 8.783 -2.027 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.922 9.436 -1.711 1.00 0.34 C ATOM 0 H VAL A 86 6.581 9.376 0.822 1.00 0.22 H new ATOM 0 HA VAL A 86 7.875 7.187 -0.356 1.00 0.25 H new ATOM 0 HB VAL A 86 8.572 10.143 -0.564 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.401 9.541 -2.806 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.277 8.675 -1.521 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.036 7.831 -2.476 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.043 10.184 -2.494 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.573 8.502 -2.152 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.192 9.788 -0.983 1.00 0.34 H new ATOM 1252 N GLU A 87 9.619 8.896 1.848 1.00 0.25 N ATOM 1253 CA GLU A 87 10.839 8.899 2.646 1.00 0.26 C ATOM 1254 C GLU A 87 10.998 7.585 3.406 1.00 0.24 C ATOM 1255 O GLU A 87 12.070 6.980 3.398 1.00 0.26 O ATOM 1256 CB GLU A 87 10.833 10.073 3.628 1.00 0.32 C ATOM 1257 CG GLU A 87 10.857 11.433 2.950 1.00 0.75 C ATOM 1258 CD GLU A 87 10.850 12.580 3.941 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.944 12.982 4.391 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.751 13.074 4.269 1.00 1.51 O ATOM 0 H GLU A 87 8.932 9.597 2.127 1.00 0.25 H new ATOM 0 HA GLU A 87 11.684 9.009 1.967 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.945 10.005 4.257 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.697 9.989 4.287 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.745 11.506 2.322 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.993 11.522 2.292 1.00 0.75 H new ATOM 1267 N VAL A 88 9.924 7.152 4.064 1.00 0.22 N ATOM 1268 CA VAL A 88 9.942 5.910 4.830 1.00 0.22 C ATOM 1269 C VAL A 88 10.413 4.742 3.971 1.00 0.23 C ATOM 1270 O VAL A 88 11.351 4.030 4.334 1.00 0.25 O ATOM 1271 CB VAL A 88 8.549 5.581 5.403 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.521 4.174 5.986 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.151 6.606 6.453 1.00 0.27 C ATOM 0 H VAL A 88 9.031 7.644 4.081 1.00 0.22 H new ATOM 0 HA VAL A 88 10.640 6.058 5.654 1.00 0.22 H new ATOM 0 HB VAL A 88 7.826 5.623 4.589 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.528 3.965 6.384 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.758 3.452 5.205 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.257 4.097 6.787 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.165 6.359 6.847 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.879 6.597 7.264 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.123 7.598 6.001 1.00 0.27 H new ATOM 1283 N LEU A 89 9.753 4.548 2.834 1.00 0.24 N ATOM 1284 CA LEU A 89 10.105 3.462 1.929 1.00 0.28 C ATOM 1285 C LEU A 89 11.565 3.565 1.495 1.00 0.32 C ATOM 1286 O LEU A 89 12.229 2.552 1.272 1.00 0.39 O ATOM 1287 CB LEU A 89 9.196 3.475 0.698 1.00 0.32 C ATOM 1288 CG LEU A 89 7.696 3.380 0.992 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.895 3.505 -0.293 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.371 2.070 1.697 1.00 0.35 C ATOM 0 H LEU A 89 8.974 5.127 2.519 1.00 0.24 H new ATOM 0 HA LEU A 89 9.967 2.522 2.464 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.383 4.392 0.138 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.476 2.644 0.051 1.00 0.32 H new ATOM 0 HG LEU A 89 7.422 4.203 1.652 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.831 3.435 -0.067 1.00 0.41 H new ATOM 0 HD12 LEU A 89 7.104 4.467 -0.760 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.174 2.702 -0.975 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.301 2.021 1.898 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.660 1.233 1.061 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.919 2.017 2.638 1.00 0.35 H new ATOM 1302 N ARG A 90 12.060 4.794 1.378 1.00 0.31 N ATOM 1303 CA ARG A 90 13.441 5.029 0.967 1.00 0.37 C ATOM 1304 C ARG A 90 14.403 4.853 2.138 1.00 0.37 C ATOM 1305 O ARG A 90 15.615 4.764 1.949 1.00 0.48 O ATOM 1306 CB ARG A 90 13.591 6.429 0.370 1.00 0.41 C ATOM 1307 CG ARG A 90 12.960 6.570 -1.005 1.00 0.49 C ATOM 1308 CD ARG A 90 13.192 7.954 -1.590 1.00 0.72 C ATOM 1309 NE ARG A 90 12.522 8.999 -0.820 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.500 10.278 -1.182 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.114 10.668 -2.291 1.00 1.82 N ATOM 1312 NH2 ARG A 90 11.866 11.170 -0.433 1.00 2.10 N ATOM 0 H ARG A 90 11.525 5.643 1.562 1.00 0.31 H new ATOM 0 HA ARG A 90 13.692 4.290 0.206 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.138 7.154 1.046 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.651 6.675 0.302 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.375 5.817 -1.675 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.889 6.379 -0.935 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.262 8.158 -1.622 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.833 7.976 -2.619 1.00 0.72 H new ATOM 0 HE ARG A 90 12.045 8.733 0.042 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.605 9.986 -2.869 1.00 1.82 H new ATOM 0 HH12 ARG A 90 13.095 11.650 -2.566 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.394 10.875 0.422 1.00 2.10 H new ATOM 0 HH22 ARG A 90 11.850 12.151 -0.712 1.00 2.10 H new ATOM 1326 N ASN A 91 13.853 4.803 3.347 1.00 0.32 N ATOM 1327 CA ASN A 91 14.662 4.630 4.549 1.00 0.36 C ATOM 1328 C ASN A 91 14.717 3.160 4.955 1.00 0.36 C ATOM 1329 O ASN A 91 15.538 2.765 5.784 1.00 0.42 O ATOM 1330 CB ASN A 91 14.096 5.467 5.697 1.00 0.38 C ATOM 1331 CG ASN A 91 14.154 6.956 5.414 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.043 7.432 4.709 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.200 7.700 5.963 1.00 1.14 N ATOM 0 H ASN A 91 12.851 4.880 3.521 1.00 0.32 H new ATOM 0 HA ASN A 91 15.674 4.969 4.329 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.062 5.175 5.880 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.654 5.252 6.609 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.186 8.708 5.806 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.482 7.263 6.541 1.00 1.14 H new ATOM 1340 N ALA A 92 13.832 2.359 4.367 1.00 0.32 N ATOM 1341 CA ALA A 92 13.770 0.932 4.658 1.00 0.34 C ATOM 1342 C ALA A 92 15.133 0.262 4.481 1.00 0.46 C ATOM 1343 O ALA A 92 15.870 0.079 5.449 1.00 0.55 O ATOM 1344 CB ALA A 92 12.731 0.263 3.771 1.00 0.32 C ATOM 0 H ALA A 92 13.145 2.677 3.683 1.00 0.32 H new ATOM 0 HA ALA A 92 13.479 0.815 5.702 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.692 -0.803 3.996 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.754 0.709 3.956 1.00 0.32 H new ATOM 0 HB3 ALA A 92 13.002 0.403 2.724 1.00 0.32 H new ATOM 1350 N GLY A 93 15.464 -0.102 3.244 1.00 0.53 N ATOM 1351 CA GLY A 93 16.735 -0.756 2.980 1.00 0.68 C ATOM 1352 C GLY A 93 16.851 -2.089 3.693 1.00 0.66 C ATOM 1353 O GLY A 93 17.943 -2.639 3.828 1.00 0.76 O ATOM 0 H GLY A 93 14.877 0.044 2.423 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.847 -0.909 1.907 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.550 -0.104 3.296 1.00 0.68 H new ATOM 1357 N ASN A 94 15.716 -2.601 4.155 1.00 0.54 N ATOM 1358 CA ASN A 94 15.674 -3.873 4.868 1.00 0.54 C ATOM 1359 C ASN A 94 14.361 -4.608 4.582 1.00 0.43 C ATOM 1360 O ASN A 94 13.454 -4.040 3.970 1.00 0.39 O ATOM 1361 CB ASN A 94 15.805 -3.617 6.371 1.00 0.59 C ATOM 1362 CG ASN A 94 14.592 -2.901 6.931 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.531 -3.655 7.190 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.605 -1.684 7.117 1.00 2.52 N flip ATOM 0 H ASN A 94 14.807 -2.151 4.048 1.00 0.54 H new ATOM 0 HA ASN A 94 16.501 -4.496 4.527 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.938 -4.566 6.890 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.698 -3.021 6.561 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.444 -1.144 6.903 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.777 -1.215 7.485 1.00 2.52 H new ATOM 1371 N PRO A 95 14.246 -5.889 4.992 1.00 0.41 N ATOM 1372 CA PRO A 95 13.013 -6.664 4.805 1.00 0.35 C ATOM 1373 C PRO A 95 11.839 -6.032 5.548 1.00 0.32 C ATOM 1374 O PRO A 95 11.678 -6.231 6.753 1.00 0.45 O ATOM 1375 CB PRO A 95 13.348 -8.037 5.399 1.00 0.44 C ATOM 1376 CG PRO A 95 14.836 -8.103 5.410 1.00 0.64 C ATOM 1377 CD PRO A 95 15.306 -6.694 5.628 1.00 0.51 C ATOM 0 HA PRO A 95 12.711 -6.712 3.759 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.941 -8.141 6.405 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.922 -8.841 4.798 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.192 -8.761 6.202 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.217 -8.501 4.470 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.408 -6.462 6.688 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.278 -6.517 5.168 1.00 0.51 H new ATOM 1385 N VAL A 96 11.022 -5.270 4.826 1.00 0.28 N ATOM 1386 CA VAL A 96 9.873 -4.597 5.423 1.00 0.33 C ATOM 1387 C VAL A 96 8.558 -5.263 5.031 1.00 0.28 C ATOM 1388 O VAL A 96 8.436 -5.842 3.952 1.00 0.30 O ATOM 1389 CB VAL A 96 9.821 -3.113 5.011 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.997 -2.353 5.605 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.803 -2.981 3.495 1.00 0.38 C ATOM 0 H VAL A 96 11.135 -5.103 3.826 1.00 0.28 H new ATOM 0 HA VAL A 96 9.999 -4.672 6.503 1.00 0.33 H new ATOM 0 HB VAL A 96 8.902 -2.677 5.402 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.944 -1.307 5.303 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.961 -2.419 6.692 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.930 -2.787 5.245 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.766 -1.926 3.222 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.704 -3.432 3.080 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.926 -3.490 3.096 1.00 0.38 H new ATOM 1401 N ARG A 97 7.575 -5.169 5.919 1.00 0.24 N ATOM 1402 CA ARG A 97 6.263 -5.750 5.681 1.00 0.22 C ATOM 1403 C ARG A 97 5.306 -4.691 5.152 1.00 0.18 C ATOM 1404 O ARG A 97 5.325 -3.541 5.597 1.00 0.18 O ATOM 1405 CB ARG A 97 5.709 -6.360 6.970 1.00 0.27 C ATOM 1406 CG ARG A 97 6.577 -7.470 7.542 1.00 0.69 C ATOM 1407 CD ARG A 97 5.977 -8.047 8.815 1.00 0.71 C ATOM 1408 NE ARG A 97 4.651 -8.613 8.587 1.00 1.21 N ATOM 1409 CZ ARG A 97 3.837 -9.003 9.563 1.00 1.38 C ATOM 1410 NH1 ARG A 97 4.212 -8.890 10.830 1.00 0.88 N ATOM 1411 NH2 ARG A 97 2.645 -9.506 9.272 1.00 2.37 N ATOM 0 H ARG A 97 7.665 -4.692 6.816 1.00 0.24 H new ATOM 0 HA ARG A 97 6.364 -6.539 4.935 1.00 0.22 H new ATOM 0 HB2 ARG A 97 5.601 -5.573 7.717 1.00 0.27 H new ATOM 0 HB3 ARG A 97 4.711 -6.754 6.776 1.00 0.27 H new ATOM 0 HG2 ARG A 97 6.692 -8.262 6.801 1.00 0.69 H new ATOM 0 HG3 ARG A 97 7.574 -7.082 7.752 1.00 0.69 H new ATOM 0 HD2 ARG A 97 6.638 -8.819 9.210 1.00 0.71 H new ATOM 0 HD3 ARG A 97 5.912 -7.265 9.572 1.00 0.71 H new ATOM 0 HE ARG A 97 4.331 -8.715 7.624 1.00 1.21 H new ATOM 0 HH11 ARG A 97 5.128 -8.503 11.058 1.00 0.88 H new ATOM 0 HH12 ARG A 97 3.585 -9.190 11.576 1.00 0.88 H new ATOM 0 HH21 ARG A 97 2.352 -9.594 8.299 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.021 -9.805 10.021 1.00 2.37 H new ATOM 1425 N LEU A 98 4.472 -5.084 4.198 1.00 0.19 N ATOM 1426 CA LEU A 98 3.512 -4.168 3.600 1.00 0.18 C ATOM 1427 C LEU A 98 2.081 -4.595 3.915 1.00 0.18 C ATOM 1428 O LEU A 98 1.611 -5.626 3.434 1.00 0.30 O ATOM 1429 CB LEU A 98 3.718 -4.113 2.088 1.00 0.23 C ATOM 1430 CG LEU A 98 5.165 -3.913 1.635 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.262 -3.987 0.120 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.709 -2.584 2.136 1.00 0.37 C ATOM 0 H LEU A 98 4.442 -6.032 3.822 1.00 0.19 H new ATOM 0 HA LEU A 98 3.674 -3.177 4.023 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.342 -5.039 1.652 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.112 -3.302 1.684 1.00 0.23 H new ATOM 0 HG LEU A 98 5.769 -4.713 2.063 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.298 -3.843 -0.186 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.916 -4.963 -0.219 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.641 -3.208 -0.323 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.739 -2.463 1.802 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.102 -1.770 1.741 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.676 -2.565 3.225 1.00 0.37 H new ATOM 1444 N LEU A 99 1.395 -3.794 4.723 1.00 0.18 N ATOM 1445 CA LEU A 99 0.018 -4.087 5.101 1.00 0.19 C ATOM 1446 C LEU A 99 -0.956 -3.218 4.311 1.00 0.19 C ATOM 1447 O LEU A 99 -1.103 -2.028 4.588 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.182 -3.866 6.601 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.555 -4.276 7.141 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.791 -5.764 6.933 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.676 -3.919 8.615 1.00 0.36 C ATOM 0 H LEU A 99 1.770 -2.937 5.129 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.183 -5.133 4.868 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.584 -4.423 7.140 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.023 -2.810 6.821 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.318 -3.727 6.588 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.772 -6.035 7.324 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.748 -5.994 5.868 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.022 -6.331 7.458 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.658 -4.217 8.982 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.903 -4.440 9.180 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.553 -2.843 8.740 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.617 -3.821 3.330 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.574 -3.101 2.497 1.00 0.23 C ATOM 1465 C LEU A 100 -3.861 -3.901 2.325 1.00 0.24 C ATOM 1466 O LEU A 100 -3.867 -5.124 2.461 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.957 -2.790 1.130 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.932 -3.811 0.626 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.592 -5.153 0.350 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.236 -3.294 -0.623 1.00 0.31 C ATOM 0 H LEU A 100 -1.508 -4.807 3.091 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.821 -2.164 2.996 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.760 -2.713 0.397 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.477 -1.813 1.180 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.185 -3.955 1.406 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.843 -5.860 -0.007 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.042 -5.533 1.267 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.365 -5.029 -0.409 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.489 -4.032 -0.967 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.975 -3.119 -1.405 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.278 -2.361 -0.393 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.952 -3.202 2.026 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.244 -3.848 1.833 1.00 0.29 C ATOM 1484 C ILE A 101 -6.606 -3.918 0.352 1.00 0.32 C ATOM 1485 O ILE A 101 -6.432 -2.948 -0.391 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.363 -3.116 2.604 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.722 -3.765 2.321 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.383 -1.638 2.240 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.853 -3.195 3.150 1.00 0.45 C ATOM 0 H ILE A 101 -4.966 -2.188 1.912 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.156 -4.861 2.226 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.161 -3.201 3.672 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.960 -3.642 1.264 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.649 -4.836 2.509 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.178 -1.138 2.793 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.424 -1.187 2.496 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.561 -1.529 1.170 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.783 -3.703 2.895 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.638 -3.341 4.208 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.954 -2.129 2.944 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.109 -5.077 -0.069 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.499 -5.288 -1.457 1.00 0.46 C ATOM 1503 C ARG A 102 -9.000 -5.529 -1.568 1.00 0.60 C ATOM 1504 O ARG A 102 -9.596 -6.194 -0.720 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.742 -6.480 -2.044 1.00 0.70 C ATOM 1506 CG ARG A 102 -5.266 -6.210 -2.287 1.00 1.27 C ATOM 1507 CD ARG A 102 -5.061 -5.292 -3.482 1.00 1.35 C ATOM 1508 NE ARG A 102 -5.601 -5.868 -4.711 1.00 1.49 N ATOM 1509 CZ ARG A 102 -5.958 -5.149 -5.770 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -5.841 -3.828 -5.751 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -6.436 -5.751 -6.850 1.00 2.20 N ATOM 0 H ARG A 102 -7.255 -5.885 0.536 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.247 -4.389 -2.019 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.840 -7.329 -1.368 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.209 -6.767 -2.986 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -4.826 -5.757 -1.398 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -4.745 -7.152 -2.456 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -5.541 -4.333 -3.289 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -3.997 -5.096 -3.610 1.00 1.35 H new ATOM 0 HE ARG A 102 -5.710 -6.881 -4.759 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -5.476 -3.360 -4.921 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -6.116 -3.280 -6.566 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -6.530 -6.767 -6.868 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -6.710 -5.199 -7.663 1.00 2.20 H new