USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 11 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-0.98) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.26) USER MOD Single : A 23 ASN : amide:sc= -0.811 K(o=-0.81,f=-4.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.287 (180deg=-0.683) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.081) USER MOD Single : A 38 ASN : amide:sc= -4.29! C(o=-4.3!,f=-4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= -0.0855 (180deg=-0.636) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.55 K(o=-1.5,f=0.085) USER MOD Single : A 57 SER OG : rot 83:sc= 0.955 USER MOD Single : A 59 GLN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -3.47! C(o=-3.5!,f=-2.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -1.210 -16.625 -0.659 1.00 0.00 N ATOM 143 CA HIS A 11 -0.916 -15.259 -0.241 1.00 0.00 C ATOM 144 C HIS A 11 0.515 -15.135 0.276 1.00 0.00 C ATOM 145 O HIS A 11 1.179 -16.135 0.548 1.00 0.00 O ATOM 146 CB HIS A 11 -1.903 -14.810 0.838 1.00 0.00 C ATOM 147 CG HIS A 11 -2.052 -15.790 1.960 1.00 0.00 C ATOM 148 ND1 HIS A 11 -0.985 -16.141 2.751 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.153 -16.460 2.379 1.00 0.00 C ATOM 150 CE1 HIS A 11 -1.455 -17.009 3.629 1.00 0.00 C ATOM 151 NE2 HIS A 11 -2.764 -17.234 3.443 1.00 0.00 N ATOM 0 HA HIS A 11 -1.020 -14.613 -1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.574 -13.853 1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.878 -14.644 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.145 -16.397 1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.860 -17.478 4.399 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.357 -17.860 3.988 1.00 0.00 H new ATOM 159 N ILE A 12 0.978 -13.895 0.406 1.00 0.00 N ATOM 160 CA ILE A 12 2.327 -13.617 0.886 1.00 0.00 C ATOM 161 C ILE A 12 2.356 -13.510 2.406 1.00 0.00 C ATOM 162 O ILE A 12 1.361 -13.139 3.029 1.00 0.00 O ATOM 163 CB ILE A 12 2.864 -12.301 0.283 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.212 -11.923 0.904 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.855 -11.181 0.482 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.390 -12.221 0.006 1.00 0.00 C ATOM 0 H ILE A 12 0.434 -13.062 0.184 1.00 0.00 H new ATOM 0 HA ILE A 12 2.960 -14.447 0.571 1.00 0.00 H new ATOM 0 HB ILE A 12 3.015 -12.452 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.208 -10.860 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.335 -12.462 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.246 -10.259 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.919 -11.443 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.676 -11.038 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.313 -11.929 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.419 -13.288 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.289 -11.661 -0.924 1.00 0.00 H new ATOM 178 N SER A 13 3.508 -13.823 2.996 1.00 0.00 N ATOM 179 CA SER A 13 3.671 -13.745 4.441 1.00 0.00 C ATOM 180 C SER A 13 3.243 -12.371 4.942 1.00 0.00 C ATOM 181 O SER A 13 2.522 -12.260 5.935 1.00 0.00 O ATOM 182 CB SER A 13 5.125 -14.016 4.830 1.00 0.00 C ATOM 183 OG SER A 13 5.290 -13.982 6.237 1.00 0.00 O ATOM 0 H SER A 13 4.340 -14.132 2.494 1.00 0.00 H new ATOM 0 HA SER A 13 3.040 -14.504 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.432 -14.990 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.774 -13.273 4.366 1.00 0.00 H new ATOM 0 HG SER A 13 6.227 -14.160 6.461 1.00 0.00 H new ATOM 189 N LYS A 14 3.684 -11.326 4.241 1.00 0.00 N ATOM 190 CA LYS A 14 3.334 -9.957 4.612 1.00 0.00 C ATOM 191 C LYS A 14 3.846 -8.945 3.586 1.00 0.00 C ATOM 192 O LYS A 14 4.924 -9.108 3.022 1.00 0.00 O ATOM 193 CB LYS A 14 3.910 -9.625 5.990 1.00 0.00 C ATOM 194 CG LYS A 14 5.415 -9.816 6.080 1.00 0.00 C ATOM 195 CD LYS A 14 5.888 -9.864 7.523 1.00 0.00 C ATOM 196 CE LYS A 14 7.346 -9.450 7.643 1.00 0.00 C ATOM 197 NZ LYS A 14 7.953 -9.916 8.921 1.00 0.00 N ATOM 0 H LYS A 14 4.281 -11.402 3.418 1.00 0.00 H new ATOM 0 HA LYS A 14 2.246 -9.890 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.668 -8.591 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.427 -10.253 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.696 -10.739 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.917 -9.001 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.270 -9.205 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.761 -10.873 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.909 -9.858 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.421 -8.364 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.947 -9.613 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.432 -9.507 9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.905 -10.954 8.970 1.00 0.00 H new ATOM 211 N TYR A 15 3.062 -7.892 3.372 1.00 0.00 N ATOM 212 CA TYR A 15 3.414 -6.824 2.440 1.00 0.00 C ATOM 213 C TYR A 15 3.926 -5.612 3.210 1.00 0.00 C ATOM 214 O TYR A 15 3.613 -5.447 4.388 1.00 0.00 O ATOM 215 CB TYR A 15 2.187 -6.411 1.617 1.00 0.00 C ATOM 216 CG TYR A 15 2.259 -6.791 0.156 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.982 -6.024 -0.749 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.598 -7.915 -0.316 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.043 -6.369 -2.087 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.654 -8.268 -1.651 1.00 0.00 C ATOM 221 CZ TYR A 15 2.378 -7.493 -2.532 1.00 0.00 C ATOM 222 OH TYR A 15 2.436 -7.841 -3.862 1.00 0.00 O ATOM 0 H TYR A 15 2.166 -7.755 3.839 1.00 0.00 H new ATOM 0 HA TYR A 15 4.192 -7.191 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.300 -6.868 2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.060 -5.331 1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.505 -5.145 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.030 -8.525 0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.608 -5.762 -2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.133 -9.147 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 15 1.915 -8.658 -4.009 1.00 0.00 H new ATOM 232 N ILE A 16 4.703 -4.762 2.547 1.00 0.00 N ATOM 233 CA ILE A 16 5.230 -3.571 3.194 1.00 0.00 C ATOM 234 C ILE A 16 4.667 -2.318 2.571 1.00 0.00 C ATOM 235 O ILE A 16 4.436 -2.255 1.364 1.00 0.00 O ATOM 236 CB ILE A 16 6.777 -3.483 3.130 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.349 -3.337 4.544 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.238 -2.309 2.244 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.005 -2.016 5.209 1.00 0.00 C ATOM 0 H ILE A 16 4.978 -4.876 1.571 1.00 0.00 H new ATOM 0 HA ILE A 16 4.926 -3.650 4.238 1.00 0.00 H new ATOM 0 HB ILE A 16 7.151 -4.404 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.976 -4.153 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.433 -3.440 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.327 -2.276 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.858 -2.446 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.855 -1.373 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.444 -1.986 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.402 -1.194 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.922 -1.919 5.286 1.00 0.00 H new ATOM 251 N LEU A 17 4.512 -1.306 3.393 1.00 0.00 N ATOM 252 CA LEU A 17 4.055 -0.031 2.915 1.00 0.00 C ATOM 253 C LEU A 17 5.014 1.036 3.393 1.00 0.00 C ATOM 254 O LEU A 17 5.070 1.355 4.580 1.00 0.00 O ATOM 255 CB LEU A 17 2.645 0.261 3.409 1.00 0.00 C ATOM 256 CG LEU A 17 1.701 0.829 2.347 1.00 0.00 C ATOM 257 CD1 LEU A 17 1.086 -0.294 1.525 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.615 1.675 2.994 1.00 0.00 C ATOM 0 H LEU A 17 4.697 -1.345 4.395 1.00 0.00 H new ATOM 0 HA LEU A 17 4.026 -0.042 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.215 -0.660 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.704 0.966 4.238 1.00 0.00 H new ATOM 0 HG LEU A 17 2.279 1.467 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.418 0.128 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.877 -0.858 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.522 -0.958 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.046 2.070 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.039 1.061 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.073 2.501 3.537 1.00 0.00 H new ATOM 270 N ARG A 18 5.752 1.596 2.455 1.00 0.00 N ATOM 271 CA ARG A 18 6.699 2.646 2.761 1.00 0.00 C ATOM 272 C ARG A 18 6.330 3.846 1.934 1.00 0.00 C ATOM 273 O ARG A 18 6.190 3.740 0.721 1.00 0.00 O ATOM 274 CB ARG A 18 8.123 2.190 2.442 1.00 0.00 C ATOM 275 CG ARG A 18 8.482 0.850 3.060 1.00 0.00 C ATOM 276 CD ARG A 18 9.642 0.194 2.329 1.00 0.00 C ATOM 277 NE ARG A 18 10.875 0.247 3.109 1.00 0.00 N ATOM 278 CZ ARG A 18 11.876 1.084 2.849 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.795 1.920 1.822 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.959 1.083 3.612 1.00 0.00 N ATOM 0 H ARG A 18 5.712 1.338 1.469 1.00 0.00 H new ATOM 0 HA ARG A 18 6.665 2.893 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.242 2.126 1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.826 2.944 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.744 0.990 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.614 0.191 3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.394 -0.845 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.796 0.692 1.372 1.00 0.00 H new ATOM 0 HE ARG A 18 10.975 -0.393 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.964 1.922 1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.563 2.561 1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.027 0.440 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.725 1.726 3.411 1.00 0.00 H new ATOM 294 N TRP A 19 6.136 4.982 2.570 1.00 0.00 N ATOM 295 CA TRP A 19 5.734 6.145 1.814 1.00 0.00 C ATOM 296 C TRP A 19 5.941 7.452 2.563 1.00 0.00 C ATOM 297 O TRP A 19 5.929 7.496 3.794 1.00 0.00 O ATOM 298 CB TRP A 19 4.270 5.970 1.393 1.00 0.00 C ATOM 299 CG TRP A 19 3.282 6.479 2.383 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.730 7.713 2.390 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.721 5.773 3.494 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.861 7.840 3.447 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.837 6.657 4.141 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.883 4.483 4.008 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.117 6.292 5.275 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.166 4.121 5.133 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.293 5.022 5.756 1.00 0.00 C ATOM 0 H TRP A 19 6.246 5.123 3.574 1.00 0.00 H new ATOM 0 HA TRP A 19 6.375 6.216 0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.113 6.483 0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.079 4.911 1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.942 8.488 1.668 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.323 8.675 3.677 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.556 3.783 3.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.444 6.985 5.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.281 3.127 5.538 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.747 4.709 6.634 1.00 0.00 H new ATOM 318 N ARG A 20 6.127 8.517 1.787 1.00 0.00 N ATOM 319 CA ARG A 20 6.333 9.846 2.327 1.00 0.00 C ATOM 320 C ARG A 20 6.022 10.891 1.259 1.00 0.00 C ATOM 321 O ARG A 20 5.978 10.574 0.074 1.00 0.00 O ATOM 322 CB ARG A 20 7.777 9.998 2.824 1.00 0.00 C ATOM 323 CG ARG A 20 8.753 10.467 1.757 1.00 0.00 C ATOM 324 CD ARG A 20 9.790 9.403 1.443 1.00 0.00 C ATOM 325 NE ARG A 20 10.997 9.969 0.846 1.00 0.00 N ATOM 326 CZ ARG A 20 12.017 10.445 1.555 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.976 10.422 2.880 1.00 0.00 N ATOM 328 NH2 ARG A 20 13.080 10.943 0.938 1.00 0.00 N ATOM 0 H ARG A 20 6.138 8.477 0.768 1.00 0.00 H new ATOM 0 HA ARG A 20 5.661 9.996 3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.792 10.706 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.118 9.040 3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.206 10.722 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.253 11.375 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.053 8.873 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.360 8.668 0.762 1.00 0.00 H new ATOM 0 HE ARG A 20 11.061 10.001 -0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.161 10.039 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.760 10.788 3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.116 10.961 -0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.862 11.308 1.483 1.00 0.00 H new ATOM 342 N PRO A 21 5.813 12.151 1.658 1.00 0.00 N ATOM 343 CA PRO A 21 5.518 13.241 0.719 1.00 0.00 C ATOM 344 C PRO A 21 6.596 13.391 -0.335 1.00 0.00 C ATOM 345 O PRO A 21 7.777 13.544 -0.034 1.00 0.00 O ATOM 346 CB PRO A 21 5.441 14.481 1.610 1.00 0.00 C ATOM 347 CG PRO A 21 6.088 14.083 2.884 1.00 0.00 C ATOM 348 CD PRO A 21 5.851 12.620 3.045 1.00 0.00 C ATOM 0 HA PRO A 21 4.600 13.062 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.956 15.327 1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.407 14.787 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.156 14.302 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.667 14.638 3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.647 12.140 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.917 12.415 3.568 1.00 0.00 H new ATOM 356 N LYS A 22 6.161 13.318 -1.581 1.00 0.00 N ATOM 357 CA LYS A 22 7.045 13.415 -2.727 1.00 0.00 C ATOM 358 C LYS A 22 7.654 14.810 -2.860 1.00 0.00 C ATOM 359 O LYS A 22 8.847 14.952 -3.133 1.00 0.00 O ATOM 360 CB LYS A 22 6.258 13.073 -3.982 1.00 0.00 C ATOM 361 CG LYS A 22 7.098 12.441 -5.074 1.00 0.00 C ATOM 362 CD LYS A 22 6.256 12.056 -6.277 1.00 0.00 C ATOM 363 CE LYS A 22 7.121 11.550 -7.419 1.00 0.00 C ATOM 364 NZ LYS A 22 6.305 11.040 -8.553 1.00 0.00 N ATOM 0 H LYS A 22 5.179 13.189 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 22 7.868 12.713 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.449 12.392 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.797 13.981 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.877 13.138 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.599 11.556 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.541 11.285 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.679 12.918 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.766 12.356 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.773 10.756 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.717 10.152 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.332 10.866 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.295 11.744 -9.318 1.00 0.00 H new ATOM 378 N ASN A 23 6.826 15.836 -2.685 1.00 0.00 N ATOM 379 CA ASN A 23 7.281 17.220 -2.808 1.00 0.00 C ATOM 380 C ASN A 23 7.780 17.778 -1.476 1.00 0.00 C ATOM 381 O ASN A 23 8.732 18.557 -1.442 1.00 0.00 O ATOM 382 CB ASN A 23 6.151 18.101 -3.344 1.00 0.00 C ATOM 383 CG ASN A 23 6.298 18.396 -4.824 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.839 17.630 -5.672 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.941 19.514 -5.141 1.00 0.00 N ATOM 0 H ASN A 23 5.837 15.737 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 23 8.117 17.226 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.195 17.607 -3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.132 19.039 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.071 19.767 -6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.305 20.119 -4.405 1.00 0.00 H new ATOM 392 N SER A 24 7.127 17.390 -0.385 1.00 0.00 N ATOM 393 CA SER A 24 7.508 17.872 0.941 1.00 0.00 C ATOM 394 C SER A 24 8.630 17.030 1.541 1.00 0.00 C ATOM 395 O SER A 24 9.302 17.467 2.476 1.00 0.00 O ATOM 396 CB SER A 24 6.298 17.867 1.875 1.00 0.00 C ATOM 397 OG SER A 24 5.555 19.068 1.753 1.00 0.00 O ATOM 0 H SER A 24 6.335 16.747 -0.391 1.00 0.00 H new ATOM 0 HA SER A 24 7.874 18.893 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.659 17.015 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.631 17.744 2.906 1.00 0.00 H new ATOM 0 HG SER A 24 4.785 19.040 2.359 1.00 0.00 H new ATOM 403 N VAL A 25 8.821 15.827 0.994 1.00 0.00 N ATOM 404 CA VAL A 25 9.859 14.898 1.458 1.00 0.00 C ATOM 405 C VAL A 25 10.095 15.005 2.966 1.00 0.00 C ATOM 406 O VAL A 25 10.958 15.753 3.427 1.00 0.00 O ATOM 407 CB VAL A 25 11.190 15.101 0.694 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.660 16.546 0.774 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.260 14.153 1.218 1.00 0.00 C ATOM 0 H VAL A 25 8.263 15.468 0.219 1.00 0.00 H new ATOM 0 HA VAL A 25 9.489 13.895 1.246 1.00 0.00 H new ATOM 0 HB VAL A 25 11.011 14.870 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.597 16.655 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.906 17.199 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.815 16.821 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.188 14.312 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.429 14.345 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.930 13.123 1.084 1.00 0.00 H new ATOM 419 N GLY A 26 9.316 14.246 3.733 1.00 0.00 N ATOM 420 CA GLY A 26 9.447 14.268 5.178 1.00 0.00 C ATOM 421 C GLY A 26 10.068 13.000 5.734 1.00 0.00 C ATOM 422 O GLY A 26 11.271 12.779 5.598 1.00 0.00 O ATOM 0 H GLY A 26 8.596 13.616 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.057 15.123 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.463 14.411 5.625 1.00 0.00 H new ATOM 426 N ARG A 27 9.245 12.168 6.372 1.00 0.00 N ATOM 427 CA ARG A 27 9.722 10.920 6.961 1.00 0.00 C ATOM 428 C ARG A 27 9.021 9.713 6.342 1.00 0.00 C ATOM 429 O ARG A 27 7.888 9.812 5.870 1.00 0.00 O ATOM 430 CB ARG A 27 9.501 10.932 8.475 1.00 0.00 C ATOM 431 CG ARG A 27 8.033 10.977 8.877 1.00 0.00 C ATOM 432 CD ARG A 27 7.533 12.407 9.008 1.00 0.00 C ATOM 433 NE ARG A 27 6.170 12.553 8.503 1.00 0.00 N ATOM 434 CZ ARG A 27 5.354 13.545 8.852 1.00 0.00 C ATOM 435 NH1 ARG A 27 5.761 14.476 9.705 1.00 0.00 N ATOM 436 NH2 ARG A 27 4.129 13.606 8.349 1.00 0.00 N ATOM 0 H ARG A 27 8.246 12.337 6.493 1.00 0.00 H new ATOM 0 HA ARG A 27 10.789 10.837 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.960 10.043 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.012 11.795 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.435 10.448 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.898 10.455 9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.567 12.710 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.197 13.076 8.461 1.00 0.00 H new ATOM 0 HE ARG A 27 5.824 11.855 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.702 14.433 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.133 15.235 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.811 12.892 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.505 14.367 8.617 1.00 0.00 H new ATOM 450 N TRP A 28 9.707 8.573 6.354 1.00 0.00 N ATOM 451 CA TRP A 28 9.163 7.337 5.799 1.00 0.00 C ATOM 452 C TRP A 28 8.103 6.736 6.720 1.00 0.00 C ATOM 453 O TRP A 28 8.160 6.901 7.938 1.00 0.00 O ATOM 454 CB TRP A 28 10.285 6.316 5.588 1.00 0.00 C ATOM 455 CG TRP A 28 11.032 6.490 4.299 1.00 0.00 C ATOM 456 CD1 TRP A 28 12.340 6.855 4.156 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.521 6.298 2.977 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.673 6.902 2.825 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.573 6.565 2.080 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.276 5.927 2.461 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.418 6.471 0.698 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.122 5.836 1.091 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.188 6.105 0.223 1.00 0.00 C ATOM 0 H TRP A 28 10.645 8.480 6.744 1.00 0.00 H new ATOM 0 HA TRP A 28 8.698 7.578 4.843 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.989 6.388 6.417 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.860 5.313 5.617 1.00 0.00 H new ATOM 0 HD1 TRP A 28 13.014 7.075 4.971 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.590 7.148 2.451 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.449 5.715 3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.238 6.679 0.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.163 5.553 0.682 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.036 6.022 -0.843 1.00 0.00 H new ATOM 474 N LYS A 29 7.150 6.021 6.129 1.00 0.00 N ATOM 475 CA LYS A 29 6.088 5.372 6.891 1.00 0.00 C ATOM 476 C LYS A 29 6.109 3.874 6.618 1.00 0.00 C ATOM 477 O LYS A 29 6.349 3.462 5.489 1.00 0.00 O ATOM 478 CB LYS A 29 4.727 5.957 6.517 1.00 0.00 C ATOM 479 CG LYS A 29 4.528 7.389 6.986 1.00 0.00 C ATOM 480 CD LYS A 29 3.671 7.448 8.239 1.00 0.00 C ATOM 481 CE LYS A 29 4.440 8.027 9.414 1.00 0.00 C ATOM 482 NZ LYS A 29 5.673 7.247 9.710 1.00 0.00 N ATOM 0 H LYS A 29 7.092 5.876 5.121 1.00 0.00 H new ATOM 0 HA LYS A 29 6.256 5.547 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.610 5.919 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.943 5.332 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.497 7.846 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.057 7.971 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.786 8.055 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.322 6.446 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.708 9.061 9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.799 8.041 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.049 7.531 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.447 6.232 9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.386 7.433 8.976 1.00 0.00 H new ATOM 496 N GLU A 30 5.883 3.063 7.650 1.00 0.00 N ATOM 497 CA GLU A 30 5.911 1.610 7.488 1.00 0.00 C ATOM 498 C GLU A 30 4.594 0.957 7.905 1.00 0.00 C ATOM 499 O GLU A 30 4.092 1.188 9.006 1.00 0.00 O ATOM 500 CB GLU A 30 7.061 1.009 8.300 1.00 0.00 C ATOM 501 CG GLU A 30 8.208 1.978 8.543 1.00 0.00 C ATOM 502 CD GLU A 30 8.273 2.455 9.981 1.00 0.00 C ATOM 503 OE1 GLU A 30 7.225 2.438 10.661 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.372 2.846 10.427 1.00 0.00 O ATOM 0 H GLU A 30 5.681 3.382 8.597 1.00 0.00 H new ATOM 0 HA GLU A 30 6.062 1.409 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.676 0.667 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.443 0.131 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.149 1.494 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.098 2.839 7.883 1.00 0.00 H new ATOM 511 N ALA A 31 4.055 0.125 7.016 1.00 0.00 N ATOM 512 CA ALA A 31 2.808 -0.590 7.275 1.00 0.00 C ATOM 513 C ALA A 31 2.873 -2.008 6.713 1.00 0.00 C ATOM 514 O ALA A 31 2.972 -2.197 5.500 1.00 0.00 O ATOM 515 CB ALA A 31 1.627 0.162 6.675 1.00 0.00 C ATOM 0 H ALA A 31 4.466 -0.071 6.104 1.00 0.00 H new ATOM 0 HA ALA A 31 2.669 -0.653 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.706 -0.385 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.564 1.155 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.764 0.255 5.598 1.00 0.00 H new ATOM 521 N THR A 32 2.821 -3.004 7.595 1.00 0.00 N ATOM 522 CA THR A 32 2.877 -4.399 7.169 1.00 0.00 C ATOM 523 C THR A 32 1.481 -5.006 7.072 1.00 0.00 C ATOM 524 O THR A 32 0.758 -5.088 8.066 1.00 0.00 O ATOM 525 CB THR A 32 3.732 -5.252 8.124 1.00 0.00 C ATOM 526 OG1 THR A 32 4.795 -4.462 8.669 1.00 0.00 O ATOM 527 CG2 THR A 32 4.310 -6.459 7.398 1.00 0.00 C ATOM 0 H THR A 32 2.741 -2.872 8.603 1.00 0.00 H new ATOM 0 HA THR A 32 3.340 -4.403 6.182 1.00 0.00 H new ATOM 0 HB THR A 32 3.092 -5.605 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.333 -5.012 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.911 -7.048 8.092 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.498 -7.073 7.010 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.936 -6.121 6.572 1.00 0.00 H new ATOM 535 N ILE A 33 1.109 -5.425 5.866 1.00 0.00 N ATOM 536 CA ILE A 33 -0.201 -6.022 5.631 1.00 0.00 C ATOM 537 C ILE A 33 -0.072 -7.343 4.877 1.00 0.00 C ATOM 538 O ILE A 33 0.311 -7.359 3.709 1.00 0.00 O ATOM 539 CB ILE A 33 -1.127 -5.082 4.827 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.352 -3.867 4.295 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.308 -4.644 5.681 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.099 -2.788 5.328 1.00 0.00 C ATOM 0 H ILE A 33 1.698 -5.362 5.035 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.642 -6.197 6.612 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.510 -5.632 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.605 -4.206 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.906 -3.434 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.951 -3.982 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.876 -5.520 5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.944 -4.115 6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.453 -1.968 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.051 -2.417 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.483 -3.202 6.151 1.00 0.00 H new ATOM 554 N PRO A 34 -0.394 -8.476 5.533 1.00 0.00 N ATOM 555 CA PRO A 34 -0.310 -9.805 4.910 1.00 0.00 C ATOM 556 C PRO A 34 -1.052 -9.873 3.577 1.00 0.00 C ATOM 557 O PRO A 34 -1.698 -8.909 3.168 1.00 0.00 O ATOM 558 CB PRO A 34 -0.973 -10.722 5.939 1.00 0.00 C ATOM 559 CG PRO A 34 -0.793 -10.022 7.241 1.00 0.00 C ATOM 560 CD PRO A 34 -0.861 -8.553 6.931 1.00 0.00 C ATOM 0 HA PRO A 34 0.718 -10.079 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.029 -10.873 5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.506 -11.707 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.571 -10.308 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.163 -10.282 7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.875 -8.166 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.226 -7.972 7.599 1.00 0.00 H new ATOM 568 N GLY A 35 -0.944 -11.019 2.906 1.00 0.00 N ATOM 569 CA GLY A 35 -1.597 -11.210 1.619 1.00 0.00 C ATOM 570 C GLY A 35 -3.018 -10.677 1.585 1.00 0.00 C ATOM 571 O GLY A 35 -3.954 -11.376 1.973 1.00 0.00 O ATOM 0 H GLY A 35 -0.411 -11.825 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.011 -10.715 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.609 -12.273 1.379 1.00 0.00 H new ATOM 575 N HIS A 36 -3.161 -9.436 1.109 1.00 0.00 N ATOM 576 CA HIS A 36 -4.457 -8.759 0.999 1.00 0.00 C ATOM 577 C HIS A 36 -5.505 -9.338 1.949 1.00 0.00 C ATOM 578 O HIS A 36 -6.437 -10.017 1.519 1.00 0.00 O ATOM 579 CB HIS A 36 -4.973 -8.816 -0.444 1.00 0.00 C ATOM 580 CG HIS A 36 -4.677 -10.104 -1.151 1.00 0.00 C ATOM 581 ND1 HIS A 36 -3.846 -10.144 -2.245 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.133 -11.356 -0.896 1.00 0.00 C ATOM 583 CE1 HIS A 36 -3.815 -11.407 -2.631 1.00 0.00 C ATOM 584 NE2 HIS A 36 -4.580 -12.178 -1.844 1.00 0.00 N ATOM 0 H HIS A 36 -2.376 -8.870 0.787 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.293 -7.721 1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.051 -8.656 -0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.532 -7.995 -1.009 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.802 -11.649 -0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.246 -11.772 -3.473 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.723 -13.184 -1.934 1.00 0.00 H new ATOM 592 N LEU A 37 -5.354 -9.055 3.239 1.00 0.00 N ATOM 593 CA LEU A 37 -6.303 -9.543 4.236 1.00 0.00 C ATOM 594 C LEU A 37 -7.648 -8.842 4.075 1.00 0.00 C ATOM 595 O LEU A 37 -8.699 -9.415 4.364 1.00 0.00 O ATOM 596 CB LEU A 37 -5.780 -9.340 5.668 1.00 0.00 C ATOM 597 CG LEU A 37 -4.686 -8.279 5.854 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.131 -6.930 5.313 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.318 -8.162 7.326 1.00 0.00 C ATOM 0 H LEU A 37 -4.590 -8.495 3.617 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.428 -10.613 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.624 -9.075 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.395 -10.294 6.029 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.808 -8.593 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.336 -6.199 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.351 -7.019 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.026 -6.603 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.541 -7.407 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.199 -7.872 7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.950 -9.123 7.687 1.00 0.00 H new ATOM 611 N ASN A 38 -7.600 -7.600 3.603 1.00 0.00 N ATOM 612 CA ASN A 38 -8.805 -6.805 3.390 1.00 0.00 C ATOM 613 C ASN A 38 -8.460 -5.483 2.713 1.00 0.00 C ATOM 614 O ASN A 38 -7.375 -5.326 2.154 1.00 0.00 O ATOM 615 CB ASN A 38 -9.518 -6.545 4.720 1.00 0.00 C ATOM 616 CG ASN A 38 -8.730 -5.624 5.632 1.00 0.00 C ATOM 617 OD1 ASN A 38 -7.900 -6.074 6.420 1.00 0.00 O ATOM 618 ND2 ASN A 38 -8.990 -4.326 5.529 1.00 0.00 N ATOM 0 H ASN A 38 -6.734 -7.120 3.359 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.475 -7.367 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.497 -6.107 4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.690 -7.494 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.493 -3.658 6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.687 -3.997 4.861 1.00 0.00 H new ATOM 625 N SER A 39 -9.387 -4.532 2.767 1.00 0.00 N ATOM 626 CA SER A 39 -9.176 -3.225 2.157 1.00 0.00 C ATOM 627 C SER A 39 -8.554 -2.251 3.152 1.00 0.00 C ATOM 628 O SER A 39 -9.227 -1.761 4.060 1.00 0.00 O ATOM 629 CB SER A 39 -10.501 -2.663 1.638 1.00 0.00 C ATOM 630 OG SER A 39 -11.242 -3.655 0.949 1.00 0.00 O ATOM 0 H SER A 39 -10.291 -4.642 3.227 1.00 0.00 H new ATOM 0 HA SER A 39 -8.487 -3.350 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.089 -2.280 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.307 -1.822 0.972 1.00 0.00 H new ATOM 0 HG SER A 39 -12.085 -3.271 0.629 1.00 0.00 H new ATOM 636 N TYR A 40 -7.266 -1.969 2.972 1.00 0.00 N ATOM 637 CA TYR A 40 -6.556 -1.047 3.852 1.00 0.00 C ATOM 638 C TYR A 40 -6.075 0.176 3.078 1.00 0.00 C ATOM 639 O TYR A 40 -5.205 0.073 2.213 1.00 0.00 O ATOM 640 CB TYR A 40 -5.365 -1.746 4.515 1.00 0.00 C ATOM 641 CG TYR A 40 -4.472 -0.805 5.296 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.896 -0.253 6.498 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.207 -0.464 4.827 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.087 0.611 7.212 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.392 0.398 5.537 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.837 0.933 6.727 1.00 0.00 C ATOM 647 OH TYR A 40 -2.029 1.791 7.436 1.00 0.00 O ATOM 0 H TYR A 40 -6.694 -2.365 2.226 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.249 -0.720 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.736 -2.522 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.772 -2.244 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.874 -0.503 6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.856 -0.879 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.432 1.032 8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.412 0.651 5.161 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.182 1.913 6.958 1.00 0.00 H new ATOM 657 N THR A 41 -6.646 1.333 3.396 1.00 0.00 N ATOM 658 CA THR A 41 -6.273 2.576 2.733 1.00 0.00 C ATOM 659 C THR A 41 -5.938 3.664 3.747 1.00 0.00 C ATOM 660 O THR A 41 -6.528 3.722 4.826 1.00 0.00 O ATOM 661 CB THR A 41 -7.398 3.083 1.811 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.539 3.457 2.589 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.793 2.014 0.803 1.00 0.00 C ATOM 0 H THR A 41 -7.369 1.435 4.109 1.00 0.00 H new ATOM 0 HA THR A 41 -5.390 2.357 2.132 1.00 0.00 H new ATOM 0 HB THR A 41 -7.029 3.954 1.269 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.248 3.780 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.589 2.394 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.929 1.753 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.145 1.128 1.331 1.00 0.00 H new ATOM 671 N ILE A 42 -4.992 4.527 3.391 1.00 0.00 N ATOM 672 CA ILE A 42 -4.583 5.617 4.269 1.00 0.00 C ATOM 673 C ILE A 42 -5.549 6.791 4.150 1.00 0.00 C ATOM 674 O ILE A 42 -5.850 7.249 3.047 1.00 0.00 O ATOM 675 CB ILE A 42 -3.157 6.101 3.939 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.251 4.911 3.615 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.587 6.905 5.099 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.454 5.086 2.341 1.00 0.00 C ATOM 0 H ILE A 42 -4.495 4.493 2.501 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.596 5.233 5.289 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.205 6.747 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.563 4.752 4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.862 4.012 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.580 7.239 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.221 7.772 5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.552 6.281 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.835 4.204 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.136 5.214 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.816 5.966 2.429 1.00 0.00 H new ATOM 690 N LYS A 43 -6.045 7.267 5.289 1.00 0.00 N ATOM 691 CA LYS A 43 -6.990 8.379 5.301 1.00 0.00 C ATOM 692 C LYS A 43 -6.486 9.533 6.159 1.00 0.00 C ATOM 693 O LYS A 43 -5.307 9.595 6.506 1.00 0.00 O ATOM 694 CB LYS A 43 -8.350 7.901 5.806 1.00 0.00 C ATOM 695 CG LYS A 43 -8.857 6.676 5.071 1.00 0.00 C ATOM 696 CD LYS A 43 -9.123 5.521 6.025 1.00 0.00 C ATOM 697 CE LYS A 43 -10.465 4.863 5.745 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.436 5.088 6.852 1.00 0.00 N ATOM 0 H LYS A 43 -5.809 6.902 6.212 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.091 8.745 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.278 7.676 6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.075 8.708 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.773 6.925 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.125 6.370 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.328 4.781 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.102 5.884 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.876 5.258 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.321 3.792 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.338 4.624 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.056 4.689 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.593 6.109 6.974 1.00 0.00 H new ATOM 712 N GLY A 44 -7.389 10.453 6.485 1.00 0.00 N ATOM 713 CA GLY A 44 -7.017 11.602 7.286 1.00 0.00 C ATOM 714 C GLY A 44 -6.155 12.571 6.507 1.00 0.00 C ATOM 715 O GLY A 44 -5.370 13.323 7.086 1.00 0.00 O ATOM 0 H GLY A 44 -8.370 10.422 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.917 12.112 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.479 11.268 8.173 1.00 0.00 H new ATOM 719 N LEU A 45 -6.299 12.546 5.184 1.00 0.00 N ATOM 720 CA LEU A 45 -5.525 13.418 4.311 1.00 0.00 C ATOM 721 C LEU A 45 -6.435 14.236 3.402 1.00 0.00 C ATOM 722 O LEU A 45 -7.659 14.134 3.476 1.00 0.00 O ATOM 723 CB LEU A 45 -4.552 12.594 3.465 1.00 0.00 C ATOM 724 CG LEU A 45 -4.376 11.134 3.897 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.401 10.203 2.694 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.079 10.962 4.663 1.00 0.00 C ATOM 0 H LEU A 45 -6.947 11.929 4.694 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.961 14.106 4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.894 12.610 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.577 13.081 3.486 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.209 10.873 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.274 9.173 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.356 10.302 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.591 10.466 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.969 9.920 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.241 11.247 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.094 11.595 5.550 1.00 0.00 H new ATOM 738 N LYS A 46 -5.825 15.049 2.542 1.00 0.00 N ATOM 739 CA LYS A 46 -6.579 15.885 1.616 1.00 0.00 C ATOM 740 C LYS A 46 -5.941 15.874 0.227 1.00 0.00 C ATOM 741 O LYS A 46 -4.718 15.871 0.098 1.00 0.00 O ATOM 742 CB LYS A 46 -6.686 17.317 2.162 1.00 0.00 C ATOM 743 CG LYS A 46 -6.265 18.409 1.183 1.00 0.00 C ATOM 744 CD LYS A 46 -5.072 19.193 1.704 1.00 0.00 C ATOM 745 CE LYS A 46 -5.375 20.681 1.787 1.00 0.00 C ATOM 746 NZ LYS A 46 -5.857 21.225 0.487 1.00 0.00 N ATOM 0 H LYS A 46 -4.812 15.145 2.469 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.585 15.476 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.717 17.499 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.071 17.396 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.015 17.961 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.101 19.087 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.794 18.822 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.215 19.031 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.129 20.855 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.477 21.217 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.594 22.228 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.423 20.693 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.892 21.134 0.435 1.00 0.00 H new ATOM 760 N PRO A 47 -6.767 15.872 -0.835 1.00 0.00 N ATOM 761 CA PRO A 47 -6.276 15.866 -2.217 1.00 0.00 C ATOM 762 C PRO A 47 -5.540 17.153 -2.566 1.00 0.00 C ATOM 763 O PRO A 47 -6.162 18.194 -2.783 1.00 0.00 O ATOM 764 CB PRO A 47 -7.553 15.739 -3.053 1.00 0.00 C ATOM 765 CG PRO A 47 -8.634 16.264 -2.174 1.00 0.00 C ATOM 766 CD PRO A 47 -8.242 15.884 -0.775 1.00 0.00 C ATOM 0 HA PRO A 47 -5.559 15.064 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.480 16.313 -3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.740 14.703 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.729 17.345 -2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.599 15.833 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.610 16.603 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.642 14.910 -0.494 1.00 0.00 H new ATOM 774 N GLY A 48 -4.214 17.079 -2.620 1.00 0.00 N ATOM 775 CA GLY A 48 -3.424 18.252 -2.944 1.00 0.00 C ATOM 776 C GLY A 48 -1.944 18.081 -2.652 1.00 0.00 C ATOM 777 O GLY A 48 -1.127 18.883 -3.107 1.00 0.00 O ATOM 0 H GLY A 48 -3.674 16.231 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.554 18.488 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.802 19.103 -2.378 1.00 0.00 H new ATOM 781 N VAL A 49 -1.589 17.045 -1.896 1.00 0.00 N ATOM 782 CA VAL A 49 -0.196 16.795 -1.559 1.00 0.00 C ATOM 783 C VAL A 49 0.284 15.483 -2.133 1.00 0.00 C ATOM 784 O VAL A 49 -0.429 14.483 -2.092 1.00 0.00 O ATOM 785 CB VAL A 49 0.051 16.731 -0.052 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.515 17.020 0.252 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.892 17.648 0.714 1.00 0.00 C ATOM 0 H VAL A 49 -2.247 16.369 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 49 0.349 17.637 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.167 15.720 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.679 16.972 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.143 16.280 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.772 18.015 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.684 17.574 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.745 18.677 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.923 17.351 0.523 1.00 0.00 H new ATOM 797 N VAL A 50 1.504 15.478 -2.636 1.00 0.00 N ATOM 798 CA VAL A 50 2.070 14.262 -3.181 1.00 0.00 C ATOM 799 C VAL A 50 2.509 13.340 -2.050 1.00 0.00 C ATOM 800 O VAL A 50 2.947 13.794 -0.993 1.00 0.00 O ATOM 801 CB VAL A 50 3.281 14.525 -4.088 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.253 13.599 -5.292 1.00 0.00 C ATOM 803 CG2 VAL A 50 3.355 15.976 -4.532 1.00 0.00 C ATOM 0 H VAL A 50 2.115 16.293 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 50 1.288 13.799 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 50 4.178 14.319 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.118 13.798 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.281 12.563 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.340 13.770 -5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.226 16.117 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.453 16.233 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.439 16.620 -3.657 1.00 0.00 H new ATOM 813 N TYR A 51 2.381 12.050 -2.292 1.00 0.00 N ATOM 814 CA TYR A 51 2.751 11.027 -1.322 1.00 0.00 C ATOM 815 C TYR A 51 3.336 9.834 -2.057 1.00 0.00 C ATOM 816 O TYR A 51 2.593 9.026 -2.611 1.00 0.00 O ATOM 817 CB TYR A 51 1.514 10.559 -0.532 1.00 0.00 C ATOM 818 CG TYR A 51 1.405 11.026 0.916 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.394 11.783 1.532 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.284 10.701 1.664 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.270 12.204 2.844 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.148 11.114 2.976 1.00 0.00 C ATOM 823 CZ TYR A 51 1.143 11.867 3.561 1.00 0.00 C ATOM 824 OH TYR A 51 1.012 12.283 4.867 1.00 0.00 O ATOM 0 H TYR A 51 2.017 11.676 -3.168 1.00 0.00 H new ATOM 0 HA TYR A 51 3.481 11.448 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.624 10.894 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.499 9.469 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.280 12.049 0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.500 10.112 1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.051 12.792 3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.734 10.848 3.540 1.00 0.00 H new ATOM 0 HH TYR A 51 0.160 11.962 5.229 1.00 0.00 H new ATOM 834 N GLU A 52 4.655 9.709 -2.071 1.00 0.00 N ATOM 835 CA GLU A 52 5.260 8.580 -2.763 1.00 0.00 C ATOM 836 C GLU A 52 5.125 7.337 -1.894 1.00 0.00 C ATOM 837 O GLU A 52 5.492 7.358 -0.726 1.00 0.00 O ATOM 838 CB GLU A 52 6.732 8.868 -3.088 1.00 0.00 C ATOM 839 CG GLU A 52 7.643 8.887 -1.872 1.00 0.00 C ATOM 840 CD GLU A 52 9.008 9.474 -2.175 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.065 10.569 -2.772 1.00 0.00 O ATOM 842 OE2 GLU A 52 10.021 8.837 -1.812 1.00 0.00 O ATOM 0 H GLU A 52 5.310 10.353 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 52 4.744 8.414 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.093 8.114 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.800 9.831 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.171 9.466 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.764 7.871 -1.497 1.00 0.00 H new ATOM 849 N GLY A 53 4.570 6.267 -2.462 1.00 0.00 N ATOM 850 CA GLY A 53 4.369 5.047 -1.696 1.00 0.00 C ATOM 851 C GLY A 53 4.965 3.819 -2.345 1.00 0.00 C ATOM 852 O GLY A 53 5.092 3.750 -3.566 1.00 0.00 O ATOM 0 H GLY A 53 4.258 6.223 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.807 5.173 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.300 4.890 -1.553 1.00 0.00 H new ATOM 856 N GLN A 54 5.336 2.844 -1.517 1.00 0.00 N ATOM 857 CA GLN A 54 5.928 1.610 -2.022 1.00 0.00 C ATOM 858 C GLN A 54 5.320 0.382 -1.354 1.00 0.00 C ATOM 859 O GLN A 54 5.058 0.381 -0.152 1.00 0.00 O ATOM 860 CB GLN A 54 7.441 1.616 -1.806 1.00 0.00 C ATOM 861 CG GLN A 54 8.061 3.000 -1.889 1.00 0.00 C ATOM 862 CD GLN A 54 9.577 2.963 -1.865 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.234 3.412 -2.804 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.139 2.427 -0.788 1.00 0.00 N ATOM 0 H GLN A 54 5.238 2.885 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 54 5.714 1.559 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.662 1.186 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.909 0.972 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.728 3.489 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.703 3.605 -1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.555 2.067 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.155 2.375 -0.715 1.00 0.00 H new ATOM 873 N LEU A 55 5.127 -0.670 -2.140 1.00 0.00 N ATOM 874 CA LEU A 55 4.582 -1.917 -1.623 1.00 0.00 C ATOM 875 C LEU A 55 5.566 -3.049 -1.875 1.00 0.00 C ATOM 876 O LEU A 55 5.732 -3.499 -3.009 1.00 0.00 O ATOM 877 CB LEU A 55 3.235 -2.232 -2.277 1.00 0.00 C ATOM 878 CG LEU A 55 2.011 -1.901 -1.423 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.793 -1.680 -2.304 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.747 -3.007 -0.414 1.00 0.00 C ATOM 0 H LEU A 55 5.340 -0.684 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 55 4.422 -1.811 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.165 -1.681 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.209 -3.292 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 55 2.212 -0.980 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.070 -1.445 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.983 -0.852 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.590 -2.584 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.872 -2.753 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.567 -3.944 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.613 -3.118 0.239 1.00 0.00 H new ATOM 892 N ILE A 56 6.229 -3.495 -0.816 1.00 0.00 N ATOM 893 CA ILE A 56 7.210 -4.563 -0.932 1.00 0.00 C ATOM 894 C ILE A 56 6.787 -5.806 -0.158 1.00 0.00 C ATOM 895 O ILE A 56 6.636 -5.771 1.062 1.00 0.00 O ATOM 896 CB ILE A 56 8.604 -4.108 -0.448 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.225 -3.132 -1.451 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.521 -5.306 -0.243 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.584 -1.760 -1.447 1.00 0.00 C ATOM 0 H ILE A 56 6.105 -3.134 0.130 1.00 0.00 H new ATOM 0 HA ILE A 56 7.268 -4.814 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 56 8.483 -3.599 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.287 -3.027 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.147 -3.556 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.498 -4.962 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.089 -5.971 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.634 -5.843 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.078 -1.126 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.527 -1.851 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.685 -1.314 -0.458 1.00 0.00 H new ATOM 911 N SER A 57 6.605 -6.905 -0.881 1.00 0.00 N ATOM 912 CA SER A 57 6.206 -8.163 -0.275 1.00 0.00 C ATOM 913 C SER A 57 7.407 -8.896 0.312 1.00 0.00 C ATOM 914 O SER A 57 8.460 -9.009 -0.312 1.00 0.00 O ATOM 915 CB SER A 57 5.507 -9.041 -1.304 1.00 0.00 C ATOM 916 OG SER A 57 4.245 -9.476 -0.831 1.00 0.00 O ATOM 0 H SER A 57 6.729 -6.947 -1.893 1.00 0.00 H new ATOM 0 HA SER A 57 5.513 -7.944 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.379 -8.486 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.131 -9.905 -1.533 1.00 0.00 H new ATOM 0 HG SER A 57 3.576 -8.778 -0.994 1.00 0.00 H new ATOM 922 N ILE A 58 7.220 -9.370 1.528 1.00 0.00 N ATOM 923 CA ILE A 58 8.240 -10.101 2.272 1.00 0.00 C ATOM 924 C ILE A 58 7.775 -11.521 2.613 1.00 0.00 C ATOM 925 O ILE A 58 6.659 -11.712 3.103 1.00 0.00 O ATOM 926 CB ILE A 58 8.616 -9.369 3.575 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.094 -7.948 3.269 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.689 -10.141 4.329 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.945 -6.994 4.435 1.00 0.00 C ATOM 0 H ILE A 58 6.344 -9.259 2.039 1.00 0.00 H new ATOM 0 HA ILE A 58 9.117 -10.158 1.627 1.00 0.00 H new ATOM 0 HB ILE A 58 7.729 -9.308 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.142 -7.983 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.533 -7.560 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.942 -9.610 5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.316 -11.135 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.578 -10.232 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.304 -6.006 4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.895 -6.929 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.529 -7.358 5.280 1.00 0.00 H new ATOM 941 N GLN A 59 8.636 -12.506 2.380 1.00 0.00 N ATOM 942 CA GLN A 59 8.312 -13.897 2.698 1.00 0.00 C ATOM 943 C GLN A 59 9.267 -14.433 3.755 1.00 0.00 C ATOM 944 O GLN A 59 10.108 -13.700 4.275 1.00 0.00 O ATOM 945 CB GLN A 59 8.377 -14.789 1.460 1.00 0.00 C ATOM 946 CG GLN A 59 7.012 -15.151 0.899 1.00 0.00 C ATOM 947 CD GLN A 59 6.695 -16.625 1.046 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.053 -17.437 0.192 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.019 -16.980 2.132 1.00 0.00 N ATOM 0 H GLN A 59 9.562 -12.370 1.973 1.00 0.00 H new ATOM 0 HA GLN A 59 7.291 -13.914 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.955 -14.282 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.912 -15.705 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.247 -14.566 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.972 -14.878 -0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.742 -16.274 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.776 -17.959 2.284 1.00 0.00 H new ATOM 958 N GLN A 60 9.137 -15.716 4.063 1.00 0.00 N ATOM 959 CA GLN A 60 9.998 -16.351 5.052 1.00 0.00 C ATOM 960 C GLN A 60 11.449 -16.345 4.579 1.00 0.00 C ATOM 961 O GLN A 60 12.370 -16.600 5.356 1.00 0.00 O ATOM 962 CB GLN A 60 9.534 -17.786 5.317 1.00 0.00 C ATOM 963 CG GLN A 60 8.061 -17.892 5.676 1.00 0.00 C ATOM 964 CD GLN A 60 7.805 -17.705 7.158 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.357 -16.801 7.787 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.967 -18.563 7.728 1.00 0.00 N ATOM 0 H GLN A 60 8.445 -16.337 3.643 1.00 0.00 H new ATOM 0 HA GLN A 60 9.933 -15.785 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.728 -18.391 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.128 -18.207 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.500 -17.143 5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.685 -18.867 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.531 -19.297 7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.759 -18.488 8.724 1.00 0.00 H new ATOM 975 N TYR A 61 11.644 -16.049 3.294 1.00 0.00 N ATOM 976 CA TYR A 61 12.979 -16.004 2.705 1.00 0.00 C ATOM 977 C TYR A 61 13.451 -14.563 2.521 1.00 0.00 C ATOM 978 O TYR A 61 14.590 -14.320 2.120 1.00 0.00 O ATOM 979 CB TYR A 61 12.989 -16.727 1.355 1.00 0.00 C ATOM 980 CG TYR A 61 12.570 -18.177 1.433 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.239 -18.528 1.629 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.505 -19.197 1.310 1.00 0.00 C ATOM 983 CE1 TYR A 61 10.852 -19.852 1.702 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.126 -20.525 1.380 1.00 0.00 C ATOM 985 CZ TYR A 61 11.800 -20.848 1.576 1.00 0.00 C ATOM 986 OH TYR A 61 11.419 -22.168 1.647 1.00 0.00 O ATOM 0 H TYR A 61 10.890 -15.836 2.640 1.00 0.00 H new ATOM 0 HA TYR A 61 13.663 -16.507 3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.324 -16.203 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.992 -16.671 0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.494 -17.752 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.545 -18.949 1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.814 -20.107 1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 61 13.866 -21.306 1.282 1.00 0.00 H new ATOM 0 HH TYR A 61 12.206 -22.742 1.538 1.00 0.00 H new ATOM 996 N GLY A 62 12.569 -13.612 2.814 1.00 0.00 N ATOM 997 CA GLY A 62 12.912 -12.208 2.672 1.00 0.00 C ATOM 998 C GLY A 62 12.947 -11.762 1.221 1.00 0.00 C ATOM 999 O GLY A 62 13.357 -12.523 0.346 1.00 0.00 O ATOM 0 H GLY A 62 11.622 -13.789 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.187 -11.603 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.885 -12.027 3.128 1.00 0.00 H new ATOM 1003 N HIS A 63 12.515 -10.524 0.971 1.00 0.00 N ATOM 1004 CA HIS A 63 12.493 -9.969 -0.382 1.00 0.00 C ATOM 1005 C HIS A 63 11.595 -10.797 -1.298 1.00 0.00 C ATOM 1006 O HIS A 63 11.948 -11.912 -1.682 1.00 0.00 O ATOM 1007 CB HIS A 63 13.910 -9.908 -0.960 1.00 0.00 C ATOM 1008 CG HIS A 63 14.897 -9.225 -0.064 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.888 -7.864 0.106 1.00 0.00 N ATOM 1010 CD2 HIS A 63 15.903 -9.757 0.673 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.881 -7.596 0.934 1.00 0.00 C ATOM 1012 NE2 HIS A 63 16.528 -8.712 1.305 1.00 0.00 N ATOM 0 H HIS A 63 12.175 -9.886 1.691 1.00 0.00 H new ATOM 0 HA HIS A 63 12.089 -8.958 -0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.255 -10.922 -1.160 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.880 -9.387 -1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.163 -10.803 0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.140 -6.603 1.271 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.329 -8.772 1.934 1.00 0.00 H new ATOM 1020 N GLN A 64 10.433 -10.251 -1.644 1.00 0.00 N ATOM 1021 CA GLN A 64 9.501 -10.959 -2.511 1.00 0.00 C ATOM 1022 C GLN A 64 9.027 -10.096 -3.673 1.00 0.00 C ATOM 1023 O GLN A 64 9.326 -10.381 -4.833 1.00 0.00 O ATOM 1024 CB GLN A 64 8.298 -11.451 -1.717 1.00 0.00 C ATOM 1025 CG GLN A 64 8.623 -12.616 -0.810 1.00 0.00 C ATOM 1026 CD GLN A 64 9.392 -13.715 -1.518 1.00 0.00 C ATOM 1027 OE1 GLN A 64 9.023 -14.139 -2.614 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.466 -14.183 -0.894 1.00 0.00 N ATOM 0 H GLN A 64 10.118 -9.330 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 64 10.040 -11.812 -2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.905 -10.630 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.509 -11.746 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.207 -12.258 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.697 -13.027 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.735 -13.802 0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.022 -14.923 -1.322 1.00 0.00 H new ATOM 1037 N GLU A 65 8.266 -9.057 -3.355 1.00 0.00 N ATOM 1038 CA GLU A 65 7.719 -8.168 -4.372 1.00 0.00 C ATOM 1039 C GLU A 65 8.005 -6.712 -4.066 1.00 0.00 C ATOM 1040 O GLU A 65 8.048 -6.306 -2.914 1.00 0.00 O ATOM 1041 CB GLU A 65 6.211 -8.375 -4.493 1.00 0.00 C ATOM 1042 CG GLU A 65 5.698 -8.300 -5.922 1.00 0.00 C ATOM 1043 CD GLU A 65 5.016 -6.982 -6.229 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.462 -5.943 -5.699 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.034 -6.989 -7.001 1.00 0.00 O ATOM 0 H GLU A 65 8.013 -8.809 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 65 8.206 -8.416 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.952 -9.347 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.700 -7.622 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.531 -8.443 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.997 -9.116 -6.096 1.00 0.00 H new ATOM 1052 N VAL A 66 8.195 -5.931 -5.113 1.00 0.00 N ATOM 1053 CA VAL A 66 8.457 -4.511 -4.966 1.00 0.00 C ATOM 1054 C VAL A 66 7.633 -3.715 -5.970 1.00 0.00 C ATOM 1055 O VAL A 66 7.674 -3.982 -7.171 1.00 0.00 O ATOM 1056 CB VAL A 66 9.947 -4.196 -5.147 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.540 -5.080 -6.226 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.154 -2.715 -5.457 1.00 0.00 C ATOM 0 H VAL A 66 8.173 -6.258 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 66 8.169 -4.223 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 66 10.468 -4.408 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.598 -4.848 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.428 -6.126 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.021 -4.903 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.218 -2.515 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.627 -2.458 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.765 -2.113 -4.635 1.00 0.00 H new ATOM 1068 N THR A 67 6.882 -2.744 -5.473 1.00 0.00 N ATOM 1069 CA THR A 67 6.049 -1.921 -6.331 1.00 0.00 C ATOM 1070 C THR A 67 6.217 -0.441 -5.994 1.00 0.00 C ATOM 1071 O THR A 67 6.178 -0.048 -4.828 1.00 0.00 O ATOM 1072 CB THR A 67 4.562 -2.344 -6.226 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.108 -2.840 -7.491 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.665 -1.193 -5.788 1.00 0.00 C ATOM 0 H THR A 67 6.833 -2.508 -4.482 1.00 0.00 H new ATOM 0 HA THR A 67 6.372 -2.072 -7.361 1.00 0.00 H new ATOM 0 HB THR A 67 4.500 -3.124 -5.467 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.168 -3.108 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.633 -1.538 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.984 -0.835 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.735 -0.381 -6.512 1.00 0.00 H new ATOM 1082 N ARG A 68 6.412 0.374 -7.025 1.00 0.00 N ATOM 1083 CA ARG A 68 6.591 1.809 -6.844 1.00 0.00 C ATOM 1084 C ARG A 68 5.383 2.568 -7.381 1.00 0.00 C ATOM 1085 O ARG A 68 5.082 2.509 -8.574 1.00 0.00 O ATOM 1086 CB ARG A 68 7.866 2.281 -7.549 1.00 0.00 C ATOM 1087 CG ARG A 68 8.966 1.233 -7.594 1.00 0.00 C ATOM 1088 CD ARG A 68 10.179 1.661 -6.781 1.00 0.00 C ATOM 1089 NE ARG A 68 11.299 0.736 -6.942 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.560 1.123 -7.119 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.865 2.414 -7.158 1.00 0.00 N ATOM 1092 NH2 ARG A 68 13.518 0.217 -7.259 1.00 0.00 N ATOM 0 H ARG A 68 6.450 0.064 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 68 6.685 2.012 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.618 2.578 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.243 3.169 -7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.584 0.287 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.263 1.060 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.487 2.660 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.907 1.721 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 68 11.103 -0.265 -6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.131 3.115 -7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.833 2.705 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.288 -0.776 -7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.484 0.514 -7.395 1.00 0.00 H new ATOM 1106 N PHE A 69 4.692 3.272 -6.493 1.00 0.00 N ATOM 1107 CA PHE A 69 3.507 4.037 -6.881 1.00 0.00 C ATOM 1108 C PHE A 69 3.390 5.338 -6.091 1.00 0.00 C ATOM 1109 O PHE A 69 3.415 5.336 -4.861 1.00 0.00 O ATOM 1110 CB PHE A 69 2.243 3.191 -6.692 1.00 0.00 C ATOM 1111 CG PHE A 69 1.964 2.822 -5.261 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.750 1.888 -4.605 1.00 0.00 C ATOM 1113 CD2 PHE A 69 0.913 3.409 -4.573 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.494 1.546 -3.291 1.00 0.00 C ATOM 1115 CE2 PHE A 69 0.653 3.070 -3.258 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.445 2.139 -2.616 1.00 0.00 C ATOM 0 H PHE A 69 4.928 3.331 -5.502 1.00 0.00 H new ATOM 0 HA PHE A 69 3.613 4.296 -7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.388 3.739 -7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.337 2.278 -7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.573 1.422 -5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.291 4.139 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.114 0.816 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.169 3.533 -2.733 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.245 1.875 -1.588 1.00 0.00 H new ATOM 1126 N ASP A 70 3.252 6.447 -6.813 1.00 0.00 N ATOM 1127 CA ASP A 70 3.118 7.757 -6.190 1.00 0.00 C ATOM 1128 C ASP A 70 1.657 8.193 -6.177 1.00 0.00 C ATOM 1129 O ASP A 70 1.015 8.283 -7.223 1.00 0.00 O ATOM 1130 CB ASP A 70 3.968 8.795 -6.926 1.00 0.00 C ATOM 1131 CG ASP A 70 4.388 8.329 -8.307 1.00 0.00 C ATOM 1132 OD1 ASP A 70 5.365 7.556 -8.401 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.740 8.737 -9.294 1.00 0.00 O ATOM 0 H ASP A 70 3.230 6.462 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 70 3.473 7.683 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.405 9.724 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.857 9.017 -6.335 1.00 0.00 H new ATOM 1138 N PHE A 71 1.140 8.460 -4.984 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.245 8.887 -4.823 1.00 0.00 C ATOM 1140 C PHE A 71 -0.304 10.227 -4.112 1.00 0.00 C ATOM 1141 O PHE A 71 0.670 10.640 -3.496 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.035 7.834 -4.044 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.691 7.753 -2.580 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -1.377 8.519 -1.644 1.00 0.00 C ATOM 1145 CD2 PHE A 71 0.302 6.893 -2.136 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -1.077 8.424 -0.299 1.00 0.00 C ATOM 1147 CE2 PHE A 71 0.609 6.800 -0.792 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.083 7.565 0.127 1.00 0.00 C ATOM 0 H PHE A 71 1.661 8.388 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.694 8.999 -5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.099 8.049 -4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.863 6.859 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.152 9.195 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.842 6.288 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.619 9.021 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.389 6.130 -0.460 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.153 7.491 1.178 1.00 0.00 H new ATOM 1158 N THR A 72 -1.439 10.914 -4.195 1.00 0.00 N ATOM 1159 CA THR A 72 -1.567 12.208 -3.545 1.00 0.00 C ATOM 1160 C THR A 72 -2.806 12.282 -2.669 1.00 0.00 C ATOM 1161 O THR A 72 -3.900 11.901 -3.082 1.00 0.00 O ATOM 1162 CB THR A 72 -1.613 13.354 -4.575 1.00 0.00 C ATOM 1163 OG1 THR A 72 -2.923 13.447 -5.146 1.00 0.00 O ATOM 1164 CG2 THR A 72 -0.588 13.137 -5.680 1.00 0.00 C ATOM 0 H THR A 72 -2.269 10.601 -4.698 1.00 0.00 H new ATOM 0 HA THR A 72 -0.684 12.322 -2.917 1.00 0.00 H new ATOM 0 HB THR A 72 -1.373 14.283 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.945 14.178 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.642 13.960 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.411 13.097 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.799 12.198 -6.193 1.00 0.00 H new