USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 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 25 THR OG1 : rot -21:sc= 0.824 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.56 F(o=-3.8!,f=-1.6) USER MOD Single : A 29 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.0359 (180deg=-0.201) USER MOD Single : A 39 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.6!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.509 K(o=0.51,f=-0.16) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.215 F(o=-0.95,f=-0.22) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= -0.0968 (180deg=-0.533) USER MOD Single : A 66 GLN : amide:sc= 0.998 K(o=1,f=-6.2!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.807 -2.856 -9.371 1.00 0.00 N ATOM 156 CA THR A 25 3.412 -2.507 -10.722 1.00 0.00 C ATOM 157 C THR A 25 2.071 -1.781 -10.759 1.00 0.00 C ATOM 158 O THR A 25 1.340 -1.739 -9.762 1.00 0.00 O ATOM 159 CB THR A 25 3.324 -3.770 -11.587 1.00 0.00 C ATOM 160 OG1 THR A 25 3.103 -4.909 -10.741 1.00 0.00 O ATOM 161 CG2 THR A 25 4.599 -3.962 -12.391 1.00 0.00 C ATOM 0 HA THR A 25 4.173 -1.833 -11.115 1.00 0.00 H new ATOM 0 HB THR A 25 2.494 -3.663 -12.285 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.392 -4.699 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.514 -4.864 -12.997 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.752 -3.101 -13.041 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.446 -4.059 -11.712 1.00 0.00 H new ATOM 169 N LYS A 26 1.761 -1.212 -11.920 1.00 0.00 N ATOM 170 CA LYS A 26 0.511 -0.492 -12.124 1.00 0.00 C ATOM 171 C LYS A 26 -0.675 -1.413 -11.869 1.00 0.00 C ATOM 172 O LYS A 26 -1.653 -1.019 -11.237 1.00 0.00 O ATOM 173 CB LYS A 26 0.448 0.063 -13.547 1.00 0.00 C ATOM 174 CG LYS A 26 -0.860 0.767 -13.874 1.00 0.00 C ATOM 175 CD LYS A 26 -0.823 1.397 -15.255 1.00 0.00 C ATOM 176 CE LYS A 26 -0.785 0.348 -16.353 1.00 0.00 C ATOM 177 NZ LYS A 26 -2.137 -0.188 -16.652 1.00 0.00 N ATOM 0 H LYS A 26 2.366 -1.237 -12.741 1.00 0.00 H new ATOM 0 HA LYS A 26 0.468 0.339 -11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.272 0.762 -13.691 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.596 -0.754 -14.253 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.682 0.053 -13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.057 1.536 -13.127 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.699 2.031 -15.389 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.052 2.041 -15.337 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.359 0.783 -17.257 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.129 -0.469 -16.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.069 -0.901 -17.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.534 -0.626 -15.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.757 0.587 -16.963 1.00 0.00 H new ATOM 191 N TYR A 27 -0.566 -2.646 -12.356 1.00 0.00 N ATOM 192 CA TYR A 27 -1.611 -3.650 -12.181 1.00 0.00 C ATOM 193 C TYR A 27 -1.917 -3.842 -10.700 1.00 0.00 C ATOM 194 O TYR A 27 -3.075 -3.812 -10.284 1.00 0.00 O ATOM 195 CB TYR A 27 -1.161 -4.974 -12.800 1.00 0.00 C ATOM 196 CG TYR A 27 -2.217 -6.054 -12.780 1.00 0.00 C ATOM 197 CD1 TYR A 27 -3.360 -5.949 -13.562 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.067 -7.179 -11.980 1.00 0.00 C ATOM 199 CE1 TYR A 27 -4.326 -6.934 -13.546 1.00 0.00 C ATOM 200 CE2 TYR A 27 -3.029 -8.170 -11.959 1.00 0.00 C ATOM 201 CZ TYR A 27 -4.156 -8.044 -12.744 1.00 0.00 C ATOM 202 OH TYR A 27 -5.117 -9.029 -12.725 1.00 0.00 O ATOM 0 H TYR A 27 0.244 -2.976 -12.880 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.518 -3.310 -12.681 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.858 -4.796 -13.832 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.280 -5.332 -12.266 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.495 -5.083 -14.193 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.185 -7.281 -11.365 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.211 -6.837 -14.158 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.899 -9.039 -11.331 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.844 -9.741 -12.110 1.00 0.00 H new ATOM 212 N GLN A 28 -0.862 -4.021 -9.917 1.00 0.00 N ATOM 213 CA GLN A 28 -0.986 -4.208 -8.477 1.00 0.00 C ATOM 214 C GLN A 28 -1.628 -2.981 -7.838 1.00 0.00 C ATOM 215 O GLN A 28 -2.532 -3.093 -7.008 1.00 0.00 O ATOM 216 CB GLN A 28 0.396 -4.448 -7.865 1.00 0.00 C ATOM 217 CG GLN A 28 0.366 -4.744 -6.374 1.00 0.00 C ATOM 218 CD GLN A 28 -0.337 -6.047 -6.051 1.00 0.00 C ATOM 219 OE1 GLN A 28 -1.035 -6.076 -4.929 1.00 0.00 O flip ATOM 220 NE2 GLN A 28 -0.264 -7.013 -6.810 1.00 0.00 N flip ATOM 0 H GLN A 28 0.099 -4.041 -10.259 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.619 -5.075 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.872 -5.282 -8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.017 -3.569 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.387 -4.783 -5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.136 -3.927 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.286 -6.948 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.754 -7.878 -6.583 1.00 0.00 H new ATOM 229 N THR A 29 -1.153 -1.813 -8.249 1.00 0.00 N ATOM 230 CA THR A 29 -1.656 -0.543 -7.742 1.00 0.00 C ATOM 231 C THR A 29 -3.140 -0.354 -8.075 1.00 0.00 C ATOM 232 O THR A 29 -3.946 -0.047 -7.197 1.00 0.00 O ATOM 233 CB THR A 29 -0.846 0.635 -8.320 1.00 0.00 C ATOM 234 OG1 THR A 29 0.558 0.362 -8.198 1.00 0.00 O ATOM 235 CG2 THR A 29 -1.171 1.933 -7.598 1.00 0.00 C ATOM 0 H THR A 29 -0.410 -1.719 -8.941 1.00 0.00 H new ATOM 0 HA THR A 29 -1.543 -0.561 -6.658 1.00 0.00 H new ATOM 0 HB THR A 29 -1.115 0.748 -9.370 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.826 -0.285 -8.884 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.585 2.745 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.233 2.154 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.929 1.831 -6.540 1.00 0.00 H new ATOM 243 N LEU A 30 -3.494 -0.571 -9.339 1.00 0.00 N ATOM 244 CA LEU A 30 -4.870 -0.410 -9.794 1.00 0.00 C ATOM 245 C LEU A 30 -5.806 -1.407 -9.122 1.00 0.00 C ATOM 246 O LEU A 30 -6.960 -1.084 -8.838 1.00 0.00 O ATOM 247 CB LEU A 30 -4.957 -0.557 -11.312 1.00 0.00 C ATOM 248 CG LEU A 30 -4.468 0.655 -12.111 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.564 0.388 -13.601 1.00 0.00 C ATOM 250 CD2 LEU A 30 -5.272 1.896 -11.754 1.00 0.00 C ATOM 0 H LEU A 30 -2.843 -0.860 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.188 0.594 -9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.375 -1.429 -11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.993 -0.757 -11.583 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.424 0.829 -11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.212 1.261 -14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.948 -0.474 -13.857 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.601 0.185 -13.868 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.908 2.745 -12.333 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.324 1.726 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.161 2.108 -10.691 1.00 0.00 H new ATOM 262 N GLU A 31 -5.319 -2.621 -8.884 1.00 0.00 N ATOM 263 CA GLU A 31 -6.127 -3.647 -8.235 1.00 0.00 C ATOM 264 C GLU A 31 -6.429 -3.245 -6.795 1.00 0.00 C ATOM 265 O GLU A 31 -7.583 -3.255 -6.367 1.00 0.00 O ATOM 266 CB GLU A 31 -5.415 -5.003 -8.269 1.00 0.00 C ATOM 267 CG GLU A 31 -6.293 -6.166 -7.834 1.00 0.00 C ATOM 268 CD GLU A 31 -7.368 -6.498 -8.849 1.00 0.00 C ATOM 269 OE1 GLU A 31 -8.401 -5.796 -8.890 1.00 0.00 O ATOM 270 OE2 GLU A 31 -7.185 -7.463 -9.622 1.00 0.00 O ATOM 0 H GLU A 31 -4.374 -2.917 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.066 -3.741 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.056 -5.189 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.538 -4.959 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.670 -7.045 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.762 -5.925 -6.880 1.00 0.00 H new ATOM 277 N LEU A 32 -5.386 -2.865 -6.061 1.00 0.00 N ATOM 278 CA LEU A 32 -5.538 -2.442 -4.677 1.00 0.00 C ATOM 279 C LEU A 32 -6.441 -1.217 -4.595 1.00 0.00 C ATOM 280 O LEU A 32 -7.294 -1.116 -3.716 1.00 0.00 O ATOM 281 CB LEU A 32 -4.171 -2.126 -4.072 1.00 0.00 C ATOM 282 CG LEU A 32 -3.281 -3.338 -3.795 1.00 0.00 C ATOM 283 CD1 LEU A 32 -1.854 -2.891 -3.528 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.819 -4.130 -2.618 1.00 0.00 C ATOM 0 H LEU A 32 -4.426 -2.842 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.996 -3.254 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.641 -1.454 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.322 -1.586 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.284 -3.983 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.230 -3.763 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.471 -2.359 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.836 -2.230 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.175 -4.990 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.841 -3.496 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.828 -4.475 -2.842 1.00 0.00 H new ATOM 296 N GLU A 33 -6.253 -0.299 -5.534 1.00 0.00 N ATOM 297 CA GLU A 33 -7.041 0.917 -5.603 1.00 0.00 C ATOM 298 C GLU A 33 -8.505 0.584 -5.841 1.00 0.00 C ATOM 299 O GLU A 33 -9.394 1.111 -5.172 1.00 0.00 O ATOM 300 CB GLU A 33 -6.515 1.776 -6.742 1.00 0.00 C ATOM 301 CG GLU A 33 -5.888 3.074 -6.291 1.00 0.00 C ATOM 302 CD GLU A 33 -6.890 4.197 -6.172 1.00 0.00 C ATOM 303 OE1 GLU A 33 -7.243 4.791 -7.214 1.00 0.00 O ATOM 304 OE2 GLU A 33 -7.322 4.503 -5.042 1.00 0.00 O ATOM 0 H GLU A 33 -5.549 -0.380 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.960 1.458 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.777 1.204 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.335 1.998 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.403 2.922 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.109 3.361 -6.998 1.00 0.00 H new ATOM 311 N LYS A 34 -8.737 -0.298 -6.802 1.00 0.00 N ATOM 312 CA LYS A 34 -10.089 -0.727 -7.142 1.00 0.00 C ATOM 313 C LYS A 34 -10.789 -1.320 -5.921 1.00 0.00 C ATOM 314 O LYS A 34 -11.984 -1.091 -5.708 1.00 0.00 O ATOM 315 CB LYS A 34 -10.059 -1.743 -8.283 1.00 0.00 C ATOM 316 CG LYS A 34 -11.401 -1.921 -8.977 1.00 0.00 C ATOM 317 CD LYS A 34 -11.256 -2.688 -10.281 1.00 0.00 C ATOM 318 CE LYS A 34 -12.592 -2.869 -10.987 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.219 -1.567 -11.337 1.00 0.00 N ATOM 0 H LYS A 34 -8.005 -0.733 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.651 0.147 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.318 -1.429 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.731 -2.706 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.086 -2.452 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.842 -0.944 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.567 -2.158 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.817 -3.665 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.446 -3.456 -11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.267 -3.435 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.025 -1.730 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.552 -1.098 -10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.519 -0.961 -11.812 1.00 0.00 H new ATOM 333 N GLU A 35 -10.047 -2.081 -5.120 1.00 0.00 N ATOM 334 CA GLU A 35 -10.604 -2.672 -3.911 1.00 0.00 C ATOM 335 C GLU A 35 -10.860 -1.583 -2.881 1.00 0.00 C ATOM 336 O GLU A 35 -11.923 -1.526 -2.287 1.00 0.00 O ATOM 337 CB GLU A 35 -9.664 -3.719 -3.308 1.00 0.00 C ATOM 338 CG GLU A 35 -9.409 -4.919 -4.200 1.00 0.00 C ATOM 339 CD GLU A 35 -10.581 -5.875 -4.223 1.00 0.00 C ATOM 340 OE1 GLU A 35 -11.323 -5.941 -3.219 1.00 0.00 O ATOM 341 OE2 GLU A 35 -10.774 -6.560 -5.248 1.00 0.00 O ATOM 0 H GLU A 35 -9.065 -2.301 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.537 -3.166 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.711 -3.244 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.084 -4.066 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.201 -4.578 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.520 -5.445 -3.852 1.00 0.00 H new ATOM 348 N PHE A 36 -9.883 -0.699 -2.709 1.00 0.00 N ATOM 349 CA PHE A 36 -9.977 0.396 -1.745 1.00 0.00 C ATOM 350 C PHE A 36 -11.202 1.277 -2.012 1.00 0.00 C ATOM 351 O PHE A 36 -11.804 1.826 -1.088 1.00 0.00 O ATOM 352 CB PHE A 36 -8.681 1.216 -1.802 1.00 0.00 C ATOM 353 CG PHE A 36 -8.665 2.440 -0.933 1.00 0.00 C ATOM 354 CD1 PHE A 36 -9.007 2.372 0.409 1.00 0.00 C ATOM 355 CD2 PHE A 36 -8.287 3.658 -1.466 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.975 3.504 1.201 1.00 0.00 C ATOM 357 CE2 PHE A 36 -8.255 4.793 -0.681 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.599 4.717 0.656 1.00 0.00 C ATOM 0 H PHE A 36 -9.007 -0.719 -3.230 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.103 -0.018 -0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.849 0.573 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.506 1.519 -2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.301 1.426 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.013 3.722 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.244 3.441 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.962 5.739 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.574 5.603 1.273 1.00 0.00 H new ATOM 368 N LEU A 37 -11.563 1.413 -3.276 1.00 0.00 N ATOM 369 CA LEU A 37 -12.719 2.210 -3.658 1.00 0.00 C ATOM 370 C LEU A 37 -14.008 1.449 -3.373 1.00 0.00 C ATOM 371 O LEU A 37 -14.989 2.011 -2.880 1.00 0.00 O ATOM 372 CB LEU A 37 -12.646 2.570 -5.141 1.00 0.00 C ATOM 373 CG LEU A 37 -11.514 3.521 -5.523 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.448 3.691 -7.032 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.697 4.867 -4.842 1.00 0.00 C ATOM 0 H LEU A 37 -11.072 0.981 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.715 3.127 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.537 1.651 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.593 3.021 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.572 3.090 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.636 4.372 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.270 2.723 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.391 4.100 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.881 5.532 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.646 5.305 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.695 4.731 -3.761 1.00 0.00 H new ATOM 387 N PHE A 38 -13.986 0.166 -3.687 1.00 0.00 N ATOM 388 CA PHE A 38 -15.131 -0.712 -3.488 1.00 0.00 C ATOM 389 C PHE A 38 -15.373 -0.972 -2.008 1.00 0.00 C ATOM 390 O PHE A 38 -16.487 -0.821 -1.504 1.00 0.00 O ATOM 391 CB PHE A 38 -14.876 -2.042 -4.188 1.00 0.00 C ATOM 392 CG PHE A 38 -16.107 -2.667 -4.781 1.00 0.00 C ATOM 393 CD1 PHE A 38 -17.074 -3.234 -3.966 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.294 -2.692 -6.153 1.00 0.00 C ATOM 395 CE1 PHE A 38 -18.206 -3.813 -4.509 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.423 -3.270 -6.701 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.381 -3.830 -5.878 1.00 0.00 C ATOM 0 H PHE A 38 -13.172 -0.300 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.012 -0.224 -3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.142 -1.890 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.436 -2.738 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.942 -3.223 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.549 -2.255 -6.802 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.952 -4.251 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.557 -3.284 -7.773 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.265 -4.280 -6.305 1.00 0.00 H new ATOM 407 N ASN A 39 -14.310 -1.350 -1.328 1.00 0.00 N ATOM 408 CA ASN A 39 -14.351 -1.674 0.084 1.00 0.00 C ATOM 409 C ASN A 39 -13.270 -0.901 0.836 1.00 0.00 C ATOM 410 O ASN A 39 -12.096 -1.265 0.844 1.00 0.00 O ATOM 411 CB ASN A 39 -14.211 -3.195 0.295 1.00 0.00 C ATOM 412 CG ASN A 39 -12.926 -3.793 -0.274 1.00 0.00 C ATOM 413 OD1 ASN A 39 -11.943 -3.972 0.436 1.00 0.00 O ATOM 414 ND2 ASN A 39 -12.921 -4.117 -1.560 1.00 0.00 N ATOM 0 H ASN A 39 -13.383 -1.442 -1.744 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.318 -1.374 0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.255 -3.407 1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.064 -3.694 -0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.086 -4.525 -1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.752 -3.958 -2.129 1.00 0.00 H new ATOM 421 N MET A 40 -13.679 0.205 1.427 1.00 0.00 N ATOM 422 CA MET A 40 -12.777 1.052 2.193 1.00 0.00 C ATOM 423 C MET A 40 -12.354 0.355 3.479 1.00 0.00 C ATOM 424 O MET A 40 -11.258 0.581 3.992 1.00 0.00 O ATOM 425 CB MET A 40 -13.456 2.379 2.520 1.00 0.00 C ATOM 426 CG MET A 40 -13.451 3.374 1.374 1.00 0.00 C ATOM 427 SD MET A 40 -13.926 5.034 1.897 1.00 0.00 S ATOM 428 CE MET A 40 -13.976 5.874 0.316 1.00 0.00 C ATOM 0 H MET A 40 -14.641 0.543 1.392 1.00 0.00 H new ATOM 0 HA MET A 40 -11.888 1.244 1.592 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.487 2.185 2.814 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.958 2.828 3.380 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.456 3.407 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.135 3.032 0.597 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.256 6.917 0.467 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.993 5.826 -0.153 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.709 5.391 -0.330 1.00 0.00 H new ATOM 438 N TYR A 41 -13.237 -0.482 4.003 1.00 0.00 N ATOM 439 CA TYR A 41 -12.960 -1.213 5.225 1.00 0.00 C ATOM 440 C TYR A 41 -12.742 -2.680 4.914 1.00 0.00 C ATOM 441 O TYR A 41 -13.281 -3.214 3.945 1.00 0.00 O ATOM 442 CB TYR A 41 -14.100 -1.032 6.232 1.00 0.00 C ATOM 443 CG TYR A 41 -14.049 -1.938 7.447 1.00 0.00 C ATOM 444 CD1 TYR A 41 -13.145 -1.702 8.475 1.00 0.00 C ATOM 445 CD2 TYR A 41 -14.909 -3.025 7.565 1.00 0.00 C ATOM 446 CE1 TYR A 41 -13.099 -2.524 9.586 1.00 0.00 C ATOM 447 CE2 TYR A 41 -14.868 -3.849 8.672 1.00 0.00 C ATOM 448 CZ TYR A 41 -13.961 -3.596 9.679 1.00 0.00 C ATOM 449 OH TYR A 41 -13.919 -4.417 10.785 1.00 0.00 O ATOM 0 H TYR A 41 -14.154 -0.670 3.597 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.050 -0.815 5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.099 0.003 6.573 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.046 -1.198 5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.468 -0.864 8.405 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.620 -3.228 6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.391 -2.327 10.377 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.544 -4.688 8.749 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.592 -5.123 10.694 1.00 0.00 H new ATOM 459 N LEU A 42 -11.963 -3.319 5.755 1.00 0.00 N ATOM 460 CA LEU A 42 -11.635 -4.714 5.600 1.00 0.00 C ATOM 461 C LEU A 42 -11.507 -5.376 6.956 1.00 0.00 C ATOM 462 O LEU A 42 -11.484 -4.708 7.990 1.00 0.00 O ATOM 463 CB LEU A 42 -10.317 -4.865 4.850 1.00 0.00 C ATOM 464 CG LEU A 42 -10.401 -4.730 3.331 1.00 0.00 C ATOM 465 CD1 LEU A 42 -9.009 -4.692 2.721 1.00 0.00 C ATOM 466 CD2 LEU A 42 -11.211 -5.873 2.748 1.00 0.00 C ATOM 0 H LEU A 42 -11.537 -2.881 6.572 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.435 -5.192 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.619 -4.117 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.895 -5.842 5.087 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.902 -3.792 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.089 -4.596 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.459 -3.840 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.479 -5.613 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.264 -5.766 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.734 -6.821 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.218 -5.854 3.164 1.00 0.00 H new ATOM 478 N THR A 43 -11.410 -6.683 6.934 1.00 0.00 N ATOM 479 CA THR A 43 -11.266 -7.468 8.144 1.00 0.00 C ATOM 480 C THR A 43 -9.884 -8.109 8.168 1.00 0.00 C ATOM 481 O THR A 43 -9.165 -8.051 7.172 1.00 0.00 O ATOM 482 CB THR A 43 -12.359 -8.547 8.236 1.00 0.00 C ATOM 483 OG1 THR A 43 -12.882 -8.826 6.928 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.485 -8.089 9.151 1.00 0.00 C ATOM 0 H THR A 43 -11.428 -7.237 6.078 1.00 0.00 H new ATOM 0 HA THR A 43 -11.376 -6.809 9.005 1.00 0.00 H new ATOM 0 HB THR A 43 -11.917 -9.453 8.650 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.576 -9.515 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.249 -8.865 9.204 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.089 -7.901 10.149 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.925 -7.173 8.756 1.00 0.00 H new ATOM 492 N ARG A 44 -9.518 -8.718 9.286 1.00 0.00 N ATOM 493 CA ARG A 44 -8.207 -9.341 9.421 1.00 0.00 C ATOM 494 C ARG A 44 -8.034 -10.488 8.427 1.00 0.00 C ATOM 495 O ARG A 44 -7.070 -10.518 7.660 1.00 0.00 O ATOM 496 CB ARG A 44 -8.005 -9.846 10.852 1.00 0.00 C ATOM 497 CG ARG A 44 -7.498 -8.782 11.818 1.00 0.00 C ATOM 498 CD ARG A 44 -8.514 -7.668 12.017 1.00 0.00 C ATOM 499 NE ARG A 44 -8.070 -6.682 13.000 1.00 0.00 N ATOM 500 CZ ARG A 44 -8.869 -5.777 13.562 1.00 0.00 C ATOM 501 NH1 ARG A 44 -10.153 -5.713 13.225 1.00 0.00 N ATOM 502 NH2 ARG A 44 -8.383 -4.928 14.454 1.00 0.00 N ATOM 0 H ARG A 44 -10.109 -8.795 10.114 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.452 -8.587 9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.951 -10.240 11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.298 -10.676 10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.271 -9.243 12.779 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.567 -8.361 11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.696 -7.171 11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.463 -8.098 12.339 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.087 -6.687 13.273 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.531 -6.359 12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.760 -5.018 13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.397 -4.967 14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.995 -4.235 14.885 1.00 0.00 H new ATOM 516 N ASP A 45 -8.985 -11.411 8.431 1.00 0.00 N ATOM 517 CA ASP A 45 -8.950 -12.568 7.537 1.00 0.00 C ATOM 518 C ASP A 45 -9.044 -12.137 6.087 1.00 0.00 C ATOM 519 O ASP A 45 -8.327 -12.646 5.224 1.00 0.00 O ATOM 520 CB ASP A 45 -10.096 -13.524 7.866 1.00 0.00 C ATOM 521 CG ASP A 45 -9.963 -14.856 7.159 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.198 -15.714 7.645 1.00 0.00 O ATOM 523 OD2 ASP A 45 -10.634 -15.057 6.124 1.00 0.00 O ATOM 0 H ASP A 45 -9.798 -11.384 9.047 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.999 -13.080 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.128 -13.690 8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.042 -13.061 7.586 1.00 0.00 H new ATOM 528 N ARG A 46 -9.928 -11.189 5.834 1.00 0.00 N ATOM 529 CA ARG A 46 -10.127 -10.668 4.490 1.00 0.00 C ATOM 530 C ARG A 46 -8.853 -9.998 3.986 1.00 0.00 C ATOM 531 O ARG A 46 -8.461 -10.182 2.840 1.00 0.00 O ATOM 532 CB ARG A 46 -11.289 -9.675 4.463 1.00 0.00 C ATOM 533 CG ARG A 46 -11.665 -9.212 3.065 1.00 0.00 C ATOM 534 CD ARG A 46 -12.235 -10.346 2.233 1.00 0.00 C ATOM 535 NE ARG A 46 -12.259 -10.020 0.811 1.00 0.00 N ATOM 536 CZ ARG A 46 -11.916 -10.874 -0.153 1.00 0.00 C ATOM 537 NH1 ARG A 46 -11.533 -12.107 0.155 1.00 0.00 N ATOM 538 NH2 ARG A 46 -11.954 -10.492 -1.424 1.00 0.00 N ATOM 0 H ARG A 46 -10.523 -10.761 6.544 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.369 -11.503 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.160 -10.135 4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.026 -8.806 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.397 -8.407 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.785 -8.803 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.639 -11.245 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.247 -10.571 2.571 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.556 -9.083 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.501 -12.402 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.271 -12.759 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.246 -9.544 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.691 -11.146 -2.161 1.00 0.00 H new ATOM 552 N ARG A 47 -8.209 -9.235 4.862 1.00 0.00 N ATOM 553 CA ARG A 47 -6.973 -8.544 4.518 1.00 0.00 C ATOM 554 C ARG A 47 -5.887 -9.546 4.159 1.00 0.00 C ATOM 555 O ARG A 47 -5.185 -9.376 3.164 1.00 0.00 O ATOM 556 CB ARG A 47 -6.518 -7.663 5.685 1.00 0.00 C ATOM 557 CG ARG A 47 -5.231 -6.899 5.423 1.00 0.00 C ATOM 558 CD ARG A 47 -4.868 -6.017 6.604 1.00 0.00 C ATOM 559 NE ARG A 47 -4.692 -6.787 7.836 1.00 0.00 N ATOM 560 CZ ARG A 47 -5.099 -6.381 9.039 1.00 0.00 C ATOM 561 NH1 ARG A 47 -5.781 -5.248 9.175 1.00 0.00 N ATOM 562 NH2 ARG A 47 -4.851 -7.126 10.104 1.00 0.00 N ATOM 0 H ARG A 47 -8.524 -9.079 5.819 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.159 -7.910 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.309 -6.951 5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.383 -8.289 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.421 -7.602 5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.344 -6.286 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.949 -5.475 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.649 -5.271 6.752 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.228 -7.693 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.997 -4.681 8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.088 -4.945 10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.350 -8.009 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.161 -6.818 11.025 1.00 0.00 H new ATOM 576 N TYR A 48 -5.759 -10.593 4.966 1.00 0.00 N ATOM 577 CA TYR A 48 -4.765 -11.624 4.705 1.00 0.00 C ATOM 578 C TYR A 48 -5.100 -12.347 3.406 1.00 0.00 C ATOM 579 O TYR A 48 -4.208 -12.687 2.631 1.00 0.00 O ATOM 580 CB TYR A 48 -4.684 -12.626 5.859 1.00 0.00 C ATOM 581 CG TYR A 48 -3.590 -13.657 5.677 1.00 0.00 C ATOM 582 CD1 TYR A 48 -2.251 -13.307 5.801 1.00 0.00 C ATOM 583 CD2 TYR A 48 -3.895 -14.976 5.371 1.00 0.00 C ATOM 584 CE1 TYR A 48 -1.249 -14.244 5.624 1.00 0.00 C ATOM 585 CE2 TYR A 48 -2.901 -15.917 5.195 1.00 0.00 C ATOM 586 CZ TYR A 48 -1.581 -15.549 5.322 1.00 0.00 C ATOM 587 OH TYR A 48 -0.585 -16.488 5.144 1.00 0.00 O ATOM 0 H TYR A 48 -6.326 -10.749 5.799 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.792 -11.142 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.514 -12.085 6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.642 -13.136 5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.988 -12.287 6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.929 -15.271 5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.213 -13.956 5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.158 -16.939 4.958 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.988 -17.357 4.938 1.00 0.00 H new ATOM 597 N GLU A 49 -6.391 -12.564 3.168 1.00 0.00 N ATOM 598 CA GLU A 49 -6.836 -13.240 1.954 1.00 0.00 C ATOM 599 C GLU A 49 -6.517 -12.392 0.737 1.00 0.00 C ATOM 600 O GLU A 49 -5.890 -12.865 -0.204 1.00 0.00 O ATOM 601 CB GLU A 49 -8.335 -13.529 2.009 1.00 0.00 C ATOM 602 CG GLU A 49 -8.784 -14.607 1.035 1.00 0.00 C ATOM 603 CD GLU A 49 -8.124 -15.944 1.299 1.00 0.00 C ATOM 604 OE1 GLU A 49 -8.174 -16.415 2.454 1.00 0.00 O ATOM 605 OE2 GLU A 49 -7.550 -16.534 0.354 1.00 0.00 O ATOM 0 H GLU A 49 -7.143 -12.283 3.797 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.305 -14.189 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.601 -13.833 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.882 -12.610 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.866 -14.721 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.557 -14.289 0.017 1.00 0.00 H new ATOM 612 N VAL A 50 -6.945 -11.138 0.770 1.00 0.00 N ATOM 613 CA VAL A 50 -6.693 -10.205 -0.323 1.00 0.00 C ATOM 614 C VAL A 50 -5.195 -10.131 -0.603 1.00 0.00 C ATOM 615 O VAL A 50 -4.759 -10.157 -1.756 1.00 0.00 O ATOM 616 CB VAL A 50 -7.239 -8.796 0.001 1.00 0.00 C ATOM 617 CG1 VAL A 50 -6.724 -7.764 -0.990 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.759 -8.804 0.013 1.00 0.00 C ATOM 0 H VAL A 50 -7.472 -10.740 1.547 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.213 -10.571 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.881 -8.519 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.126 -6.783 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.635 -7.732 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.041 -8.036 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.126 -7.804 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.129 -9.111 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.113 -9.503 0.770 1.00 0.00 H new ATOM 628 N ALA A 51 -4.413 -10.066 0.467 1.00 0.00 N ATOM 629 CA ALA A 51 -2.965 -10.012 0.356 1.00 0.00 C ATOM 630 C ALA A 51 -2.417 -11.288 -0.280 1.00 0.00 C ATOM 631 O ALA A 51 -1.552 -11.236 -1.160 1.00 0.00 O ATOM 632 CB ALA A 51 -2.350 -9.801 1.726 1.00 0.00 C ATOM 0 H ALA A 51 -4.762 -10.049 1.425 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.700 -9.174 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.264 -9.762 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.713 -8.864 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.630 -10.626 2.381 1.00 0.00 H new ATOM 638 N ARG A 52 -2.944 -12.430 0.157 1.00 0.00 N ATOM 639 CA ARG A 52 -2.524 -13.729 -0.338 1.00 0.00 C ATOM 640 C ARG A 52 -2.942 -13.917 -1.792 1.00 0.00 C ATOM 641 O ARG A 52 -2.208 -14.496 -2.596 1.00 0.00 O ATOM 642 CB ARG A 52 -3.161 -14.808 0.532 1.00 0.00 C ATOM 643 CG ARG A 52 -2.236 -15.968 0.861 1.00 0.00 C ATOM 644 CD ARG A 52 -2.021 -16.871 -0.341 1.00 0.00 C ATOM 645 NE ARG A 52 -1.054 -17.932 -0.065 1.00 0.00 N ATOM 646 CZ ARG A 52 -0.251 -18.461 -0.988 1.00 0.00 C ATOM 647 NH1 ARG A 52 -0.292 -18.013 -2.238 1.00 0.00 N ATOM 648 NH2 ARG A 52 0.582 -19.443 -0.661 1.00 0.00 N ATOM 0 H ARG A 52 -3.676 -12.475 0.866 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.437 -13.800 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.502 -14.354 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.044 -15.195 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.276 -15.582 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.657 -16.548 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.972 -17.315 -0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.673 -16.275 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.990 -18.288 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.938 -17.265 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.322 -18.417 -2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.607 -19.793 0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.196 -19.847 -1.368 1.00 0.00 H new ATOM 662 N VAL A 53 -4.137 -13.439 -2.106 1.00 0.00 N ATOM 663 CA VAL A 53 -4.685 -13.522 -3.457 1.00 0.00 C ATOM 664 C VAL A 53 -3.781 -12.808 -4.466 1.00 0.00 C ATOM 665 O VAL A 53 -3.671 -13.231 -5.620 1.00 0.00 O ATOM 666 CB VAL A 53 -6.117 -12.931 -3.520 1.00 0.00 C ATOM 667 CG1 VAL A 53 -6.554 -12.678 -4.957 1.00 0.00 C ATOM 668 CG2 VAL A 53 -7.104 -13.858 -2.824 1.00 0.00 C ATOM 0 H VAL A 53 -4.755 -12.983 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.734 -14.578 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.104 -11.972 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.562 -12.264 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.869 -11.972 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.544 -13.617 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.105 -13.429 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.099 -14.830 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.815 -13.979 -1.780 1.00 0.00 H new ATOM 678 N LEU A 54 -3.104 -11.759 -4.024 1.00 0.00 N ATOM 679 CA LEU A 54 -2.226 -11.016 -4.898 1.00 0.00 C ATOM 680 C LEU A 54 -0.788 -11.479 -4.699 1.00 0.00 C ATOM 681 O LEU A 54 -0.357 -12.468 -5.294 1.00 0.00 O ATOM 682 CB LEU A 54 -2.363 -9.519 -4.614 1.00 0.00 C ATOM 683 CG LEU A 54 -3.732 -8.920 -4.947 1.00 0.00 C ATOM 684 CD1 LEU A 54 -3.922 -7.592 -4.233 1.00 0.00 C ATOM 685 CD2 LEU A 54 -3.883 -8.746 -6.450 1.00 0.00 C ATOM 0 H LEU A 54 -3.149 -11.408 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.504 -11.197 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.154 -9.344 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.602 -8.985 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.503 -9.608 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.901 -7.182 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.856 -7.745 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.146 -6.895 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.861 -8.319 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.104 -8.078 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.792 -9.716 -6.940 1.00 0.00 H new ATOM 697 N ASN A 55 -0.075 -10.783 -3.827 1.00 0.00 N ATOM 698 CA ASN A 55 1.317 -11.097 -3.521 1.00 0.00 C ATOM 699 C ASN A 55 1.808 -10.170 -2.421 1.00 0.00 C ATOM 700 O ASN A 55 2.901 -9.615 -2.495 1.00 0.00 O ATOM 701 CB ASN A 55 2.203 -10.942 -4.759 1.00 0.00 C ATOM 702 CG ASN A 55 3.495 -11.737 -4.658 1.00 0.00 C ATOM 703 OD1 ASN A 55 3.600 -12.848 -5.178 1.00 0.00 O ATOM 704 ND2 ASN A 55 4.483 -11.178 -3.979 1.00 0.00 N ATOM 0 H ASN A 55 -0.443 -9.984 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 55 1.375 -12.134 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.649 -11.266 -5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.440 -9.888 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.370 -11.670 -3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.358 -10.255 -3.563 1.00 0.00 H new ATOM 711 N LEU A 56 0.979 -9.982 -1.412 1.00 0.00 N ATOM 712 CA LEU A 56 1.334 -9.108 -0.298 1.00 0.00 C ATOM 713 C LEU A 56 1.013 -9.769 1.030 1.00 0.00 C ATOM 714 O LEU A 56 0.636 -10.940 1.081 1.00 0.00 O ATOM 715 CB LEU A 56 0.577 -7.777 -0.382 1.00 0.00 C ATOM 716 CG LEU A 56 0.845 -6.934 -1.631 1.00 0.00 C ATOM 717 CD1 LEU A 56 -0.106 -5.750 -1.681 1.00 0.00 C ATOM 718 CD2 LEU A 56 2.288 -6.453 -1.658 1.00 0.00 C ATOM 0 H LEU A 56 0.060 -10.417 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 56 2.406 -8.920 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.492 -7.985 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.829 -7.182 0.496 1.00 0.00 H new ATOM 0 HG LEU A 56 0.676 -7.558 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.096 -5.159 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.134 -6.110 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.038 -5.130 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.456 -5.856 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.486 -5.845 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.958 -7.313 -1.664 1.00 0.00 H new ATOM 730 N THR A 57 1.181 -9.006 2.095 1.00 0.00 N ATOM 731 CA THR A 57 0.879 -9.460 3.438 1.00 0.00 C ATOM 732 C THR A 57 -0.100 -8.483 4.068 1.00 0.00 C ATOM 733 O THR A 57 -0.458 -7.477 3.447 1.00 0.00 O ATOM 734 CB THR A 57 2.145 -9.555 4.304 1.00 0.00 C ATOM 735 OG1 THR A 57 3.090 -8.566 3.885 1.00 0.00 O ATOM 736 CG2 THR A 57 2.766 -10.940 4.204 1.00 0.00 C ATOM 0 H THR A 57 1.533 -8.050 2.051 1.00 0.00 H new ATOM 0 HA THR A 57 0.446 -10.459 3.381 1.00 0.00 H new ATOM 0 HB THR A 57 1.869 -9.378 5.343 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.896 -8.627 4.440 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.661 -10.983 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.049 -11.686 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.034 -11.145 3.167 1.00 0.00 H new ATOM 744 N GLU A 58 -0.518 -8.758 5.289 1.00 0.00 N ATOM 745 CA GLU A 58 -1.465 -7.893 5.972 1.00 0.00 C ATOM 746 C GLU A 58 -0.901 -6.488 6.128 1.00 0.00 C ATOM 747 O GLU A 58 -1.598 -5.505 5.884 1.00 0.00 O ATOM 748 CB GLU A 58 -1.828 -8.475 7.335 1.00 0.00 C ATOM 749 CG GLU A 58 -2.732 -9.692 7.247 1.00 0.00 C ATOM 750 CD GLU A 58 -3.218 -10.146 8.603 1.00 0.00 C ATOM 751 OE1 GLU A 58 -3.466 -9.280 9.466 1.00 0.00 O ATOM 752 OE2 GLU A 58 -3.356 -11.367 8.814 1.00 0.00 O ATOM 0 H GLU A 58 -0.219 -9.571 5.828 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.369 -7.831 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.913 -8.748 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.321 -7.707 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.590 -9.460 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.193 -10.508 6.765 1.00 0.00 H new ATOM 759 N ARG A 59 0.361 -6.398 6.515 1.00 0.00 N ATOM 760 CA ARG A 59 1.005 -5.107 6.698 1.00 0.00 C ATOM 761 C ARG A 59 1.190 -4.383 5.370 1.00 0.00 C ATOM 762 O ARG A 59 1.045 -3.164 5.301 1.00 0.00 O ATOM 763 CB ARG A 59 2.361 -5.272 7.385 1.00 0.00 C ATOM 764 CG ARG A 59 2.979 -3.958 7.838 1.00 0.00 C ATOM 765 CD ARG A 59 4.495 -3.979 7.713 1.00 0.00 C ATOM 766 NE ARG A 59 5.098 -5.029 8.537 1.00 0.00 N ATOM 767 CZ ARG A 59 5.799 -6.053 8.049 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.006 -6.151 6.745 1.00 0.00 N ATOM 769 NH2 ARG A 59 6.296 -6.976 8.864 1.00 0.00 N ATOM 0 H ARG A 59 0.959 -7.201 6.708 1.00 0.00 H new ATOM 0 HA ARG A 59 0.352 -4.506 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.244 -5.926 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.048 -5.770 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.575 -3.141 7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.702 -3.763 8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.771 -4.133 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.897 -3.010 8.009 1.00 0.00 H new ATOM 0 HE ARG A 59 4.974 -4.973 9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.629 -5.443 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.542 -6.934 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.142 -6.904 9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.831 -7.757 8.484 1.00 0.00 H new ATOM 783 N GLN A 60 1.486 -5.133 4.313 1.00 0.00 N ATOM 784 CA GLN A 60 1.696 -4.531 3.005 1.00 0.00 C ATOM 785 C GLN A 60 0.411 -3.877 2.508 1.00 0.00 C ATOM 786 O GLN A 60 0.442 -2.803 1.910 1.00 0.00 O ATOM 787 CB GLN A 60 2.182 -5.578 2.003 1.00 0.00 C ATOM 788 CG GLN A 60 3.641 -5.968 2.189 1.00 0.00 C ATOM 789 CD GLN A 60 4.534 -5.479 1.066 1.00 0.00 C ATOM 790 OE1 GLN A 60 4.191 -4.341 0.484 1.00 0.00 O flip ATOM 791 NE2 GLN A 60 5.527 -6.119 0.724 1.00 0.00 N flip ATOM 0 H GLN A 60 1.585 -6.148 4.337 1.00 0.00 H new ATOM 0 HA GLN A 60 2.463 -3.763 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.562 -6.470 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.043 -5.194 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.002 -5.563 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.715 -7.053 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.759 -6.992 1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.119 -5.776 -0.033 1.00 0.00 H new ATOM 800 N VAL A 61 -0.715 -4.524 2.779 1.00 0.00 N ATOM 801 CA VAL A 61 -2.009 -4.006 2.358 1.00 0.00 C ATOM 802 C VAL A 61 -2.465 -2.865 3.266 1.00 0.00 C ATOM 803 O VAL A 61 -2.949 -1.837 2.793 1.00 0.00 O ATOM 804 CB VAL A 61 -3.086 -5.115 2.337 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.448 -4.551 1.954 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.684 -6.226 1.380 1.00 0.00 C ATOM 0 H VAL A 61 -0.758 -5.407 3.288 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.885 -3.626 1.344 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.163 -5.529 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.185 -5.354 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.744 -3.792 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.390 -4.103 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.452 -6.999 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.575 -5.819 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.736 -6.658 1.701 1.00 0.00 H new ATOM 816 N LYS A 62 -2.282 -3.046 4.570 1.00 0.00 N ATOM 817 CA LYS A 62 -2.697 -2.053 5.553 1.00 0.00 C ATOM 818 C LYS A 62 -2.008 -0.707 5.343 1.00 0.00 C ATOM 819 O LYS A 62 -2.663 0.333 5.354 1.00 0.00 O ATOM 820 CB LYS A 62 -2.399 -2.570 6.959 1.00 0.00 C ATOM 821 CG LYS A 62 -3.621 -2.638 7.860 1.00 0.00 C ATOM 822 CD LYS A 62 -4.223 -1.263 8.098 1.00 0.00 C ATOM 823 CE LYS A 62 -5.213 -1.288 9.249 1.00 0.00 C ATOM 824 NZ LYS A 62 -4.559 -1.643 10.538 1.00 0.00 N ATOM 0 H LYS A 62 -1.846 -3.876 4.972 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.768 -1.894 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.958 -3.564 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.653 -1.925 7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.369 -3.290 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.344 -3.084 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.429 -0.548 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.723 -0.920 7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.688 -0.311 9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.003 -2.007 9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.132 -1.284 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.476 -2.677 10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.611 -1.216 10.576 1.00 0.00 H new ATOM 838 N ILE A 63 -0.697 -0.727 5.136 1.00 0.00 N ATOM 839 CA ILE A 63 0.051 0.510 4.940 1.00 0.00 C ATOM 840 C ILE A 63 -0.299 1.152 3.606 1.00 0.00 C ATOM 841 O ILE A 63 -0.400 2.373 3.510 1.00 0.00 O ATOM 842 CB ILE A 63 1.581 0.286 5.026 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.955 -0.336 6.372 1.00 0.00 C ATOM 844 CG2 ILE A 63 2.330 1.600 4.828 1.00 0.00 C ATOM 845 CD1 ILE A 63 3.419 -0.693 6.488 1.00 0.00 C ATOM 0 H ILE A 63 -0.134 -1.577 5.100 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.237 1.182 5.749 1.00 0.00 H new ATOM 0 HB ILE A 63 1.870 -0.400 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.695 0.360 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.357 -1.234 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.403 1.420 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.089 2.012 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.034 2.308 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.611 -1.129 7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.680 -1.414 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.023 0.206 6.366 1.00 0.00 H new ATOM 857 N TRP A 64 -0.502 0.330 2.586 1.00 0.00 N ATOM 858 CA TRP A 64 -0.852 0.835 1.265 1.00 0.00 C ATOM 859 C TRP A 64 -2.182 1.578 1.321 1.00 0.00 C ATOM 860 O TRP A 64 -2.293 2.715 0.857 1.00 0.00 O ATOM 861 CB TRP A 64 -0.938 -0.315 0.254 1.00 0.00 C ATOM 862 CG TRP A 64 -0.909 0.143 -1.176 1.00 0.00 C ATOM 863 CD1 TRP A 64 0.181 0.181 -1.999 1.00 0.00 C ATOM 864 CD2 TRP A 64 -2.017 0.624 -1.952 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.179 0.661 -3.235 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.522 0.939 -3.231 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.379 0.824 -1.692 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.339 1.433 -4.245 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.187 1.316 -2.699 1.00 0.00 C ATOM 870 CH2 TRP A 64 -3.664 1.616 -3.962 1.00 0.00 C ATOM 0 H TRP A 64 -0.431 -0.686 2.647 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.072 1.525 0.943 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.109 -1.001 0.425 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.856 -0.875 0.430 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.179 -0.122 -1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.451 0.790 -4.027 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.791 0.597 -0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.940 1.664 -5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.239 1.472 -2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.321 2.000 -4.729 1.00 0.00 H new ATOM 881 N PHE A 65 -3.175 0.939 1.926 1.00 0.00 N ATOM 882 CA PHE A 65 -4.501 1.508 2.044 1.00 0.00 C ATOM 883 C PHE A 65 -4.498 2.735 2.940 1.00 0.00 C ATOM 884 O PHE A 65 -5.253 3.684 2.720 1.00 0.00 O ATOM 885 CB PHE A 65 -5.455 0.450 2.600 1.00 0.00 C ATOM 886 CG PHE A 65 -6.106 -0.417 1.557 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.363 -0.960 0.521 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.462 -0.698 1.622 1.00 0.00 C ATOM 889 CE1 PHE A 65 -5.962 -1.760 -0.434 1.00 0.00 C ATOM 890 CE2 PHE A 65 -8.066 -1.498 0.671 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.313 -2.031 -0.358 1.00 0.00 C ATOM 0 H PHE A 65 -3.079 0.014 2.346 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.835 1.823 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.905 -0.188 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.234 0.949 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.304 -0.756 0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.054 -0.286 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.373 -2.173 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.124 -1.706 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.781 -2.659 -1.102 1.00 0.00 H new ATOM 901 N GLN A 66 -3.647 2.707 3.940 1.00 0.00 N ATOM 902 CA GLN A 66 -3.538 3.809 4.882 1.00 0.00 C ATOM 903 C GLN A 66 -2.841 4.996 4.226 1.00 0.00 C ATOM 904 O GLN A 66 -3.291 6.140 4.335 1.00 0.00 O ATOM 905 CB GLN A 66 -2.764 3.355 6.120 1.00 0.00 C ATOM 906 CG GLN A 66 -3.437 3.701 7.436 1.00 0.00 C ATOM 907 CD GLN A 66 -3.421 5.187 7.719 1.00 0.00 C ATOM 908 OE1 GLN A 66 -4.368 5.904 7.403 1.00 0.00 O ATOM 909 NE2 GLN A 66 -2.342 5.660 8.309 1.00 0.00 N ATOM 0 H GLN A 66 -3.014 1.929 4.127 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.538 4.120 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.622 2.275 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.773 3.808 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.468 3.349 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.935 3.174 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.578 5.031 8.555 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.271 6.655 8.520 1.00 0.00 H new ATOM 918 N ASN A 67 -1.754 4.703 3.522 1.00 0.00 N ATOM 919 CA ASN A 67 -0.970 5.722 2.842 1.00 0.00 C ATOM 920 C ASN A 67 -1.771 6.387 1.735 1.00 0.00 C ATOM 921 O ASN A 67 -1.830 7.610 1.660 1.00 0.00 O ATOM 922 CB ASN A 67 0.301 5.113 2.254 1.00 0.00 C ATOM 923 CG ASN A 67 1.330 6.165 1.896 1.00 0.00 C ATOM 924 OD1 ASN A 67 1.560 6.452 0.720 1.00 0.00 O ATOM 925 ND2 ASN A 67 1.956 6.743 2.906 1.00 0.00 N ATOM 0 H ASN A 67 -1.394 3.756 3.408 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.703 6.478 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.733 4.415 2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.047 4.538 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.661 7.458 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.734 6.474 3.865 1.00 0.00 H new ATOM 932 N ARG A 68 -2.407 5.582 0.888 1.00 0.00 N ATOM 933 CA ARG A 68 -3.194 6.120 -0.222 1.00 0.00 C ATOM 934 C ARG A 68 -4.347 6.976 0.295 1.00 0.00 C ATOM 935 O ARG A 68 -4.707 7.977 -0.323 1.00 0.00 O ATOM 936 CB ARG A 68 -3.729 4.996 -1.118 1.00 0.00 C ATOM 937 CG ARG A 68 -3.798 5.369 -2.599 1.00 0.00 C ATOM 938 CD ARG A 68 -5.122 6.025 -2.963 1.00 0.00 C ATOM 939 NE ARG A 68 -4.940 7.332 -3.597 1.00 0.00 N ATOM 940 CZ ARG A 68 -5.758 7.834 -4.526 1.00 0.00 C ATOM 941 NH1 ARG A 68 -6.774 7.120 -4.984 1.00 0.00 N ATOM 942 NH2 ARG A 68 -5.551 9.050 -5.015 1.00 0.00 N ATOM 0 H ARG A 68 -2.395 4.564 0.946 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.534 6.749 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.093 4.118 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.725 4.715 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.980 6.047 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.659 4.474 -3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.676 5.371 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.727 6.141 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.138 7.894 -3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.937 6.178 -4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.394 7.511 -5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.764 9.607 -4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.179 9.428 -5.724 1.00 0.00 H new ATOM 956 N ARG A 69 -4.907 6.585 1.437 1.00 0.00 N ATOM 957 CA ARG A 69 -6.014 7.319 2.039 1.00 0.00 C ATOM 958 C ARG A 69 -5.594 8.742 2.387 1.00 0.00 C ATOM 959 O ARG A 69 -6.203 9.706 1.925 1.00 0.00 O ATOM 960 CB ARG A 69 -6.508 6.591 3.296 1.00 0.00 C ATOM 961 CG ARG A 69 -7.814 7.130 3.869 1.00 0.00 C ATOM 962 CD ARG A 69 -7.582 8.267 4.855 1.00 0.00 C ATOM 963 NE ARG A 69 -6.485 7.982 5.781 1.00 0.00 N ATOM 964 CZ ARG A 69 -5.944 8.887 6.602 1.00 0.00 C ATOM 965 NH1 ARG A 69 -6.410 10.130 6.636 1.00 0.00 N ATOM 966 NH2 ARG A 69 -4.941 8.541 7.396 1.00 0.00 N ATOM 0 H ARG A 69 -4.611 5.763 1.964 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.827 7.369 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.638 5.535 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.736 6.654 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.449 7.481 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.351 6.323 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.363 9.183 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.496 8.446 5.421 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.110 7.034 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.187 10.400 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.991 10.815 7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.584 7.586 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.526 9.230 8.024 1.00 0.00 H new