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 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -140:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 15:sc= 0.00204 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -0.156 (180deg=-1.03) USER MOD Single : A 23 ASN : amide:sc= -2.02 K(o=-2,f=-0.44) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 0.176 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0783 USER MOD Single : A 36 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.042) USER MOD Single : A 38 ASN : amide:sc= -1.97! K(o=-2!,f=-0.28) 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+ -160:sc=-0.00858 (180deg=-0.419) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.6) USER MOD Single : A 57 SER OG : rot 180:sc= -0.247 USER MOD Single : A 59 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.26) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.0087) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.24) 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 -0.835 -16.406 2.343 1.00 0.00 N ATOM 143 CA HIS A 11 -0.102 -16.347 1.085 1.00 0.00 C ATOM 144 C HIS A 11 1.308 -15.808 1.303 1.00 0.00 C ATOM 145 O HIS A 11 2.275 -16.569 1.344 1.00 0.00 O ATOM 146 CB HIS A 11 -0.846 -15.467 0.078 1.00 0.00 C ATOM 147 CG HIS A 11 -2.126 -16.069 -0.416 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.300 -15.928 0.281 1.00 0.00 N ATOM 149 CD2 HIS A 11 -2.361 -16.797 -1.535 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.219 -16.566 -0.422 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.696 -17.110 -1.532 1.00 0.00 N ATOM 0 HA HIS A 11 -0.028 -17.359 0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.062 -14.504 0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.194 -15.273 -0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.636 -17.077 -2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.259 -16.640 -0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -4.195 -17.652 -2.237 1.00 0.00 H new ATOM 159 N ILE A 12 1.415 -14.491 1.447 1.00 0.00 N ATOM 160 CA ILE A 12 2.703 -13.845 1.665 1.00 0.00 C ATOM 161 C ILE A 12 3.022 -13.752 3.153 1.00 0.00 C ATOM 162 O ILE A 12 2.129 -13.538 3.974 1.00 0.00 O ATOM 163 CB ILE A 12 2.727 -12.426 1.056 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.044 -11.719 1.386 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.544 -11.614 1.562 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.899 -11.439 0.170 1.00 0.00 C ATOM 0 H ILE A 12 0.623 -13.849 1.416 1.00 0.00 H new ATOM 0 HA ILE A 12 3.457 -14.458 1.171 1.00 0.00 H new ATOM 0 HB ILE A 12 2.650 -12.514 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.826 -10.778 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.611 -12.333 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.574 -10.616 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.615 -12.108 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.594 -11.536 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.816 -10.937 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.148 -12.378 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.350 -10.800 -0.521 1.00 0.00 H new ATOM 178 N SER A 13 4.300 -13.903 3.494 1.00 0.00 N ATOM 179 CA SER A 13 4.733 -13.822 4.885 1.00 0.00 C ATOM 180 C SER A 13 4.255 -12.518 5.508 1.00 0.00 C ATOM 181 O SER A 13 3.616 -12.515 6.561 1.00 0.00 O ATOM 182 CB SER A 13 6.256 -13.915 4.977 1.00 0.00 C ATOM 183 OG SER A 13 6.659 -15.109 5.624 1.00 0.00 O ATOM 0 H SER A 13 5.051 -14.082 2.827 1.00 0.00 H new ATOM 0 HA SER A 13 4.297 -14.658 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.686 -13.878 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.643 -13.054 5.523 1.00 0.00 H new ATOM 0 HG SER A 13 7.417 -14.920 6.216 1.00 0.00 H new ATOM 189 N LYS A 14 4.560 -11.410 4.838 1.00 0.00 N ATOM 190 CA LYS A 14 4.153 -10.094 5.310 1.00 0.00 C ATOM 191 C LYS A 14 4.383 -9.038 4.234 1.00 0.00 C ATOM 192 O LYS A 14 5.360 -9.098 3.487 1.00 0.00 O ATOM 193 CB LYS A 14 4.924 -9.722 6.579 1.00 0.00 C ATOM 194 CG LYS A 14 6.430 -9.871 6.444 1.00 0.00 C ATOM 195 CD LYS A 14 7.164 -8.696 7.069 1.00 0.00 C ATOM 196 CE LYS A 14 8.158 -9.157 8.123 1.00 0.00 C ATOM 197 NZ LYS A 14 8.425 -8.099 9.136 1.00 0.00 N ATOM 0 H LYS A 14 5.088 -11.400 3.966 1.00 0.00 H new ATOM 0 HA LYS A 14 3.088 -10.130 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.692 -8.691 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.578 -10.349 7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.749 -10.797 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.696 -9.948 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.688 -8.138 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.443 -8.014 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.773 -10.047 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.093 -9.441 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.107 -8.453 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.817 -7.259 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.538 -7.845 9.615 1.00 0.00 H new ATOM 211 N TYR A 15 3.477 -8.068 4.168 1.00 0.00 N ATOM 212 CA TYR A 15 3.572 -6.990 3.193 1.00 0.00 C ATOM 213 C TYR A 15 3.833 -5.662 3.896 1.00 0.00 C ATOM 214 O TYR A 15 3.120 -5.305 4.829 1.00 0.00 O ATOM 215 CB TYR A 15 2.274 -6.899 2.386 1.00 0.00 C ATOM 216 CG TYR A 15 2.436 -7.193 0.912 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.312 -6.454 0.126 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.707 -8.207 0.304 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.456 -6.719 -1.223 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.845 -8.479 -1.043 1.00 0.00 C ATOM 221 CZ TYR A 15 2.721 -7.732 -1.802 1.00 0.00 C ATOM 222 OH TYR A 15 2.861 -7.998 -3.144 1.00 0.00 O ATOM 0 H TYR A 15 2.665 -8.007 4.782 1.00 0.00 H new ATOM 0 HA TYR A 15 4.401 -7.203 2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.549 -7.596 2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.858 -5.898 2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.889 -5.660 0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.020 -8.794 0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.141 -6.136 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.270 -9.272 -1.499 1.00 0.00 H new ATOM 0 HH TYR A 15 3.667 -7.556 -3.483 1.00 0.00 H new ATOM 232 N ILE A 16 4.845 -4.928 3.447 1.00 0.00 N ATOM 233 CA ILE A 16 5.166 -3.640 4.054 1.00 0.00 C ATOM 234 C ILE A 16 4.927 -2.504 3.077 1.00 0.00 C ATOM 235 O ILE A 16 5.277 -2.591 1.900 1.00 0.00 O ATOM 236 CB ILE A 16 6.629 -3.566 4.542 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.826 -4.448 5.780 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.023 -2.117 4.841 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.031 -3.996 6.987 1.00 0.00 C ATOM 0 H ILE A 16 5.452 -5.198 2.673 1.00 0.00 H new ATOM 0 HA ILE A 16 4.506 -3.541 4.915 1.00 0.00 H new ATOM 0 HB ILE A 16 7.277 -3.939 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.544 -5.472 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.885 -4.463 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.057 -2.084 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.922 -1.518 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.371 -1.715 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.223 -4.670 7.822 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.329 -2.984 7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.968 -4.009 6.748 1.00 0.00 H new ATOM 251 N LEU A 17 4.340 -1.432 3.583 1.00 0.00 N ATOM 252 CA LEU A 17 4.062 -0.265 2.772 1.00 0.00 C ATOM 253 C LEU A 17 4.871 0.924 3.266 1.00 0.00 C ATOM 254 O LEU A 17 4.656 1.410 4.376 1.00 0.00 O ATOM 255 CB LEU A 17 2.574 0.068 2.818 1.00 0.00 C ATOM 256 CG LEU A 17 1.998 0.615 1.512 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.893 -0.292 0.995 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.479 2.030 1.709 1.00 0.00 C ATOM 0 H LEU A 17 4.047 -1.349 4.556 1.00 0.00 H new ATOM 0 HA LEU A 17 4.345 -0.484 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.023 -0.832 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.404 0.800 3.608 1.00 0.00 H new ATOM 0 HG LEU A 17 2.795 0.642 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.495 0.113 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.295 -1.289 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.095 -0.352 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.073 2.403 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.696 2.028 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.296 2.675 2.033 1.00 0.00 H new ATOM 270 N ARG A 18 5.793 1.394 2.438 1.00 0.00 N ATOM 271 CA ARG A 18 6.619 2.534 2.799 1.00 0.00 C ATOM 272 C ARG A 18 6.308 3.714 1.895 1.00 0.00 C ATOM 273 O ARG A 18 6.315 3.585 0.675 1.00 0.00 O ATOM 274 CB ARG A 18 8.104 2.174 2.700 1.00 0.00 C ATOM 275 CG ARG A 18 8.653 1.498 3.946 1.00 0.00 C ATOM 276 CD ARG A 18 9.482 0.274 3.594 1.00 0.00 C ATOM 277 NE ARG A 18 10.238 -0.226 4.740 1.00 0.00 N ATOM 278 CZ ARG A 18 11.549 -0.054 4.892 1.00 0.00 C ATOM 279 NH1 ARG A 18 12.248 0.604 3.976 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.162 -0.542 5.961 1.00 0.00 N ATOM 0 H ARG A 18 5.986 1.004 1.515 1.00 0.00 H new ATOM 0 HA ARG A 18 6.396 2.809 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.253 1.515 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.677 3.081 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.265 2.205 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.829 1.206 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.826 -0.513 3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.171 0.523 2.787 1.00 0.00 H new ATOM 0 HE ARG A 18 9.732 -0.736 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.781 0.980 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.253 0.733 4.097 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.629 -1.049 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.167 -0.410 6.077 1.00 0.00 H new ATOM 294 N TRP A 19 6.032 4.867 2.493 1.00 0.00 N ATOM 295 CA TRP A 19 5.719 6.053 1.711 1.00 0.00 C ATOM 296 C TRP A 19 6.033 7.339 2.464 1.00 0.00 C ATOM 297 O TRP A 19 6.097 7.361 3.696 1.00 0.00 O ATOM 298 CB TRP A 19 4.249 6.034 1.273 1.00 0.00 C ATOM 299 CG TRP A 19 3.289 6.542 2.309 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.799 7.812 2.421 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.694 5.786 3.369 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.937 7.893 3.489 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.856 6.662 4.087 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.788 4.455 3.781 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.117 6.246 5.192 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.055 4.043 4.878 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.229 4.936 5.573 1.00 0.00 C ATOM 0 H TRP A 19 6.019 5.004 3.504 1.00 0.00 H new ATOM 0 HA TRP A 19 6.355 6.033 0.826 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.143 6.636 0.370 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.974 5.013 1.009 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.052 8.633 1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.439 8.732 3.788 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.422 3.760 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.479 6.932 5.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.120 3.016 5.205 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.669 4.584 6.427 1.00 0.00 H new ATOM 318 N ARG A 20 6.225 8.401 1.693 1.00 0.00 N ATOM 319 CA ARG A 20 6.534 9.720 2.220 1.00 0.00 C ATOM 320 C ARG A 20 6.187 10.782 1.175 1.00 0.00 C ATOM 321 O ARG A 20 6.066 10.469 -0.010 1.00 0.00 O ATOM 322 CB ARG A 20 8.014 9.807 2.591 1.00 0.00 C ATOM 323 CG ARG A 20 8.947 9.560 1.418 1.00 0.00 C ATOM 324 CD ARG A 20 10.184 10.437 1.500 1.00 0.00 C ATOM 325 NE ARG A 20 11.157 10.116 0.460 1.00 0.00 N ATOM 326 CZ ARG A 20 11.463 10.934 -0.542 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.870 12.115 -0.645 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.363 10.569 -1.446 1.00 0.00 N ATOM 0 H ARG A 20 6.170 8.369 0.675 1.00 0.00 H new ATOM 0 HA ARG A 20 5.942 9.895 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.219 10.793 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.228 9.080 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.243 8.511 1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.420 9.757 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.892 11.483 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.648 10.317 2.479 1.00 0.00 H new ATOM 0 HE ARG A 20 11.629 9.213 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.176 12.399 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.108 12.740 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.820 9.660 -1.372 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.597 11.197 -2.215 1.00 0.00 H new ATOM 342 N PRO A 21 6.012 12.050 1.587 1.00 0.00 N ATOM 343 CA PRO A 21 5.668 13.138 0.661 1.00 0.00 C ATOM 344 C PRO A 21 6.700 13.305 -0.449 1.00 0.00 C ATOM 345 O PRO A 21 7.891 13.471 -0.185 1.00 0.00 O ATOM 346 CB PRO A 21 5.641 14.376 1.562 1.00 0.00 C ATOM 347 CG PRO A 21 5.381 13.834 2.923 1.00 0.00 C ATOM 348 CD PRO A 21 6.116 12.528 2.976 1.00 0.00 C ATOM 0 HA PRO A 21 4.727 12.951 0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.586 14.917 1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.862 15.074 1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.738 14.518 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.314 13.692 3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.153 12.658 3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.659 11.833 3.680 1.00 0.00 H new ATOM 356 N LYS A 22 6.231 13.257 -1.692 1.00 0.00 N ATOM 357 CA LYS A 22 7.106 13.400 -2.850 1.00 0.00 C ATOM 358 C LYS A 22 7.492 14.858 -3.068 1.00 0.00 C ATOM 359 O LYS A 22 8.621 15.160 -3.455 1.00 0.00 O ATOM 360 CB LYS A 22 6.420 12.852 -4.103 1.00 0.00 C ATOM 361 CG LYS A 22 7.392 12.371 -5.170 1.00 0.00 C ATOM 362 CD LYS A 22 6.793 12.487 -6.563 1.00 0.00 C ATOM 363 CE LYS A 22 6.778 11.144 -7.276 1.00 0.00 C ATOM 364 NZ LYS A 22 8.106 10.473 -7.226 1.00 0.00 N ATOM 0 H LYS A 22 5.247 13.120 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 22 8.014 12.828 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.769 12.026 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.783 13.628 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.310 12.956 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.664 11.334 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.776 12.874 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.367 13.205 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.028 10.499 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.483 11.288 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.265 9.951 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.852 11.188 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.130 9.811 -6.425 1.00 0.00 H new ATOM 378 N ASN A 23 6.548 15.760 -2.818 1.00 0.00 N ATOM 379 CA ASN A 23 6.793 17.187 -2.990 1.00 0.00 C ATOM 380 C ASN A 23 7.318 17.812 -1.701 1.00 0.00 C ATOM 381 O ASN A 23 8.103 18.759 -1.735 1.00 0.00 O ATOM 382 CB ASN A 23 5.512 17.897 -3.433 1.00 0.00 C ATOM 383 CG ASN A 23 4.581 18.195 -2.273 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.664 19.253 -1.649 1.00 0.00 O ATOM 385 ND2 ASN A 23 3.685 17.260 -1.980 1.00 0.00 N ATOM 0 H ASN A 23 5.608 15.528 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 23 7.552 17.308 -3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.772 18.829 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.991 17.277 -4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.030 17.404 -1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.651 16.398 -2.524 1.00 0.00 H new ATOM 392 N SER A 24 6.880 17.275 -0.567 1.00 0.00 N ATOM 393 CA SER A 24 7.308 17.782 0.731 1.00 0.00 C ATOM 394 C SER A 24 8.430 16.925 1.306 1.00 0.00 C ATOM 395 O SER A 24 8.718 15.840 0.800 1.00 0.00 O ATOM 396 CB SER A 24 6.129 17.817 1.707 1.00 0.00 C ATOM 397 OG SER A 24 5.903 19.129 2.190 1.00 0.00 O ATOM 0 H SER A 24 6.230 16.490 -0.521 1.00 0.00 H new ATOM 0 HA SER A 24 7.682 18.796 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.231 17.450 1.210 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.326 17.147 2.544 1.00 0.00 H new ATOM 0 HG SER A 24 5.144 19.123 2.810 1.00 0.00 H new ATOM 403 N VAL A 25 9.058 17.420 2.366 1.00 0.00 N ATOM 404 CA VAL A 25 10.148 16.704 3.015 1.00 0.00 C ATOM 405 C VAL A 25 9.772 16.321 4.444 1.00 0.00 C ATOM 406 O VAL A 25 9.303 17.156 5.217 1.00 0.00 O ATOM 407 CB VAL A 25 11.438 17.549 3.031 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.141 18.971 3.482 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.497 16.908 3.920 1.00 0.00 C ATOM 0 H VAL A 25 8.830 18.317 2.795 1.00 0.00 H new ATOM 0 HA VAL A 25 10.330 15.797 2.439 1.00 0.00 H new ATOM 0 HB VAL A 25 11.832 17.588 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.064 19.551 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.428 19.429 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.718 18.953 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.397 17.523 3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.118 16.829 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.735 15.913 3.543 1.00 0.00 H new ATOM 419 N GLY A 26 9.981 15.053 4.786 1.00 0.00 N ATOM 420 CA GLY A 26 9.658 14.582 6.120 1.00 0.00 C ATOM 421 C GLY A 26 10.212 13.198 6.399 1.00 0.00 C ATOM 422 O GLY A 26 11.424 12.986 6.346 1.00 0.00 O ATOM 0 H GLY A 26 10.368 14.344 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.054 15.283 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.575 14.568 6.244 1.00 0.00 H new ATOM 426 N ARG A 27 9.322 12.256 6.699 1.00 0.00 N ATOM 427 CA ARG A 27 9.730 10.886 6.987 1.00 0.00 C ATOM 428 C ARG A 27 8.812 9.885 6.293 1.00 0.00 C ATOM 429 O ARG A 27 7.739 10.244 5.808 1.00 0.00 O ATOM 430 CB ARG A 27 9.728 10.639 8.496 1.00 0.00 C ATOM 431 CG ARG A 27 11.020 11.058 9.181 1.00 0.00 C ATOM 432 CD ARG A 27 10.942 10.868 10.687 1.00 0.00 C ATOM 433 NE ARG A 27 10.364 12.032 11.356 1.00 0.00 N ATOM 434 CZ ARG A 27 9.947 12.028 12.618 1.00 0.00 C ATOM 435 NH1 ARG A 27 10.048 10.929 13.353 1.00 0.00 N ATOM 436 NH2 ARG A 27 9.429 13.128 13.147 1.00 0.00 N ATOM 0 H ARG A 27 8.316 12.417 6.749 1.00 0.00 H new ATOM 0 HA ARG A 27 10.741 10.747 6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.896 11.182 8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.554 9.579 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.850 10.474 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.229 12.104 8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.342 9.986 10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.941 10.682 11.081 1.00 0.00 H new ATOM 0 HE ARG A 27 10.276 12.897 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.447 10.081 12.950 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.726 10.931 14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.351 13.976 12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.109 13.126 14.115 1.00 0.00 H new ATOM 450 N TRP A 28 9.245 8.628 6.248 1.00 0.00 N ATOM 451 CA TRP A 28 8.467 7.570 5.612 1.00 0.00 C ATOM 452 C TRP A 28 7.431 7.004 6.579 1.00 0.00 C ATOM 453 O TRP A 28 7.278 7.494 7.697 1.00 0.00 O ATOM 454 CB TRP A 28 9.391 6.448 5.132 1.00 0.00 C ATOM 455 CG TRP A 28 10.328 6.867 4.042 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.369 7.746 4.144 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.313 6.420 2.682 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.000 7.872 2.930 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.371 7.067 2.016 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.506 5.532 1.962 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.641 6.856 0.666 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.777 5.324 0.623 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.836 5.982 -0.013 1.00 0.00 C ATOM 0 H TRP A 28 10.132 8.317 6.645 1.00 0.00 H new ATOM 0 HA TRP A 28 7.948 7.999 4.755 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.972 6.081 5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.784 5.615 4.777 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.654 8.266 5.047 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.806 8.468 2.740 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.687 5.019 2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.456 7.364 0.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 9.160 4.641 0.057 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.022 5.796 -1.061 1.00 0.00 H new ATOM 474 N LYS A 29 6.731 5.961 6.143 1.00 0.00 N ATOM 475 CA LYS A 29 5.720 5.316 6.970 1.00 0.00 C ATOM 476 C LYS A 29 5.646 3.839 6.627 1.00 0.00 C ATOM 477 O LYS A 29 5.839 3.461 5.473 1.00 0.00 O ATOM 478 CB LYS A 29 4.355 5.977 6.770 1.00 0.00 C ATOM 479 CG LYS A 29 3.476 5.935 8.010 1.00 0.00 C ATOM 480 CD LYS A 29 2.724 7.242 8.208 1.00 0.00 C ATOM 481 CE LYS A 29 1.628 7.101 9.252 1.00 0.00 C ATOM 482 NZ LYS A 29 0.337 6.669 8.649 1.00 0.00 N ATOM 0 H LYS A 29 6.847 5.545 5.219 1.00 0.00 H new ATOM 0 HA LYS A 29 6.000 5.427 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.502 7.015 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.836 5.482 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.764 5.114 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.092 5.732 8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.422 8.022 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.287 7.559 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.936 6.377 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.489 8.054 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.358 7.438 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.483 6.437 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.017 5.829 9.150 1.00 0.00 H new ATOM 496 N GLU A 30 5.385 3.006 7.629 1.00 0.00 N ATOM 497 CA GLU A 30 5.312 1.565 7.414 1.00 0.00 C ATOM 498 C GLU A 30 3.942 1.009 7.780 1.00 0.00 C ATOM 499 O GLU A 30 3.425 1.257 8.870 1.00 0.00 O ATOM 500 CB GLU A 30 6.390 0.852 8.232 1.00 0.00 C ATOM 501 CG GLU A 30 7.765 1.485 8.113 1.00 0.00 C ATOM 502 CD GLU A 30 8.385 1.784 9.465 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.933 0.850 10.086 1.00 0.00 O ATOM 504 OE2 GLU A 30 8.321 2.952 9.902 1.00 0.00 O ATOM 0 H GLU A 30 5.221 3.301 8.592 1.00 0.00 H new ATOM 0 HA GLU A 30 5.479 1.385 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.093 0.845 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.449 -0.188 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.422 0.818 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.688 2.409 7.540 1.00 0.00 H new ATOM 511 N ALA A 31 3.371 0.240 6.860 1.00 0.00 N ATOM 512 CA ALA A 31 2.070 -0.379 7.066 1.00 0.00 C ATOM 513 C ALA A 31 2.104 -1.835 6.620 1.00 0.00 C ATOM 514 O ALA A 31 2.236 -2.126 5.430 1.00 0.00 O ATOM 515 CB ALA A 31 0.993 0.388 6.314 1.00 0.00 C ATOM 0 H ALA A 31 3.795 0.030 5.956 1.00 0.00 H new ATOM 0 HA ALA A 31 1.832 -0.349 8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.026 -0.087 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.958 1.416 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.222 0.386 5.248 1.00 0.00 H new ATOM 521 N THR A 32 1.999 -2.745 7.581 1.00 0.00 N ATOM 522 CA THR A 32 2.036 -4.173 7.287 1.00 0.00 C ATOM 523 C THR A 32 0.648 -4.726 6.991 1.00 0.00 C ATOM 524 O THR A 32 -0.332 -4.366 7.643 1.00 0.00 O ATOM 525 CB THR A 32 2.651 -4.980 8.445 1.00 0.00 C ATOM 526 OG1 THR A 32 3.784 -4.286 8.981 1.00 0.00 O ATOM 527 CG2 THR A 32 3.073 -6.366 7.970 1.00 0.00 C ATOM 0 H THR A 32 1.888 -2.520 8.570 1.00 0.00 H new ATOM 0 HA THR A 32 2.662 -4.280 6.401 1.00 0.00 H new ATOM 0 HB THR A 32 1.897 -5.092 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.167 -4.806 9.718 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.505 -6.920 8.803 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.203 -6.901 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.813 -6.269 7.176 1.00 0.00 H new ATOM 535 N ILE A 33 0.583 -5.615 6.007 1.00 0.00 N ATOM 536 CA ILE A 33 -0.670 -6.242 5.614 1.00 0.00 C ATOM 537 C ILE A 33 -0.503 -7.757 5.526 1.00 0.00 C ATOM 538 O ILE A 33 0.273 -8.255 4.707 1.00 0.00 O ATOM 539 CB ILE A 33 -1.171 -5.707 4.259 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.032 -4.185 4.202 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.618 -6.120 4.028 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.699 -3.659 2.823 1.00 0.00 C ATOM 0 H ILE A 33 1.391 -5.919 5.464 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.408 -5.997 6.377 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.558 -6.139 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.963 -3.730 4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.254 -3.873 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.957 -5.734 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.691 -7.208 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.244 -5.714 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.616 -2.573 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.247 -4.085 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.489 -3.940 2.126 1.00 0.00 H new ATOM 554 N PRO A 34 -1.220 -8.515 6.378 1.00 0.00 N ATOM 555 CA PRO A 34 -1.141 -9.976 6.399 1.00 0.00 C ATOM 556 C PRO A 34 -1.883 -10.607 5.226 1.00 0.00 C ATOM 557 O PRO A 34 -3.062 -10.945 5.332 1.00 0.00 O ATOM 558 CB PRO A 34 -1.808 -10.367 7.729 1.00 0.00 C ATOM 559 CG PRO A 34 -2.081 -9.082 8.447 1.00 0.00 C ATOM 560 CD PRO A 34 -2.151 -8.016 7.395 1.00 0.00 C ATOM 0 HA PRO A 34 -0.112 -10.325 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.731 -10.920 7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.156 -11.012 8.318 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.016 -9.140 9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.293 -8.865 9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.160 -7.901 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.847 -7.043 7.782 1.00 0.00 H new ATOM 568 N GLY A 35 -1.183 -10.761 4.107 1.00 0.00 N ATOM 569 CA GLY A 35 -1.790 -11.348 2.927 1.00 0.00 C ATOM 570 C GLY A 35 -2.798 -10.424 2.273 1.00 0.00 C ATOM 571 O GLY A 35 -2.445 -9.631 1.400 1.00 0.00 O ATOM 0 H GLY A 35 -0.206 -10.490 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.010 -11.598 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.282 -12.281 3.201 1.00 0.00 H new ATOM 575 N HIS A 36 -4.055 -10.526 2.697 1.00 0.00 N ATOM 576 CA HIS A 36 -5.121 -9.692 2.147 1.00 0.00 C ATOM 577 C HIS A 36 -6.398 -9.825 2.971 1.00 0.00 C ATOM 578 O HIS A 36 -7.217 -10.712 2.724 1.00 0.00 O ATOM 579 CB HIS A 36 -5.398 -10.075 0.690 1.00 0.00 C ATOM 580 CG HIS A 36 -6.154 -9.031 -0.079 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.955 -8.854 -1.425 1.00 0.00 N ATOM 582 CD2 HIS A 36 -7.091 -8.149 0.350 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.768 -7.876 -1.786 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.477 -7.418 -0.743 1.00 0.00 N ATOM 0 H HIS A 36 -4.361 -11.178 3.420 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.791 -8.654 2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.450 -10.266 0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.963 -11.007 0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.462 -8.043 1.359 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.851 -7.494 -2.793 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.170 -6.670 -0.760 1.00 0.00 H new ATOM 592 N LEU A 37 -6.567 -8.933 3.944 1.00 0.00 N ATOM 593 CA LEU A 37 -7.753 -8.948 4.796 1.00 0.00 C ATOM 594 C LEU A 37 -8.907 -8.213 4.121 1.00 0.00 C ATOM 595 O LEU A 37 -10.071 -8.584 4.283 1.00 0.00 O ATOM 596 CB LEU A 37 -7.454 -8.306 6.156 1.00 0.00 C ATOM 597 CG LEU A 37 -5.982 -7.985 6.427 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.623 -6.611 5.878 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.691 -8.058 7.917 1.00 0.00 C ATOM 0 H LEU A 37 -5.900 -8.193 4.162 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.039 -9.988 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.029 -7.384 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.812 -8.974 6.939 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.367 -8.727 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.573 -6.401 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.796 -6.593 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.243 -5.854 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.641 -7.827 8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.315 -7.337 8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.909 -9.062 8.281 1.00 0.00 H new ATOM 611 N ASN A 38 -8.568 -7.172 3.362 1.00 0.00 N ATOM 612 CA ASN A 38 -9.562 -6.369 2.653 1.00 0.00 C ATOM 613 C ASN A 38 -8.890 -5.220 1.905 1.00 0.00 C ATOM 614 O ASN A 38 -7.697 -5.276 1.609 1.00 0.00 O ATOM 615 CB ASN A 38 -10.606 -5.818 3.630 1.00 0.00 C ATOM 616 CG ASN A 38 -10.057 -4.705 4.502 1.00 0.00 C ATOM 617 OD1 ASN A 38 -10.656 -3.636 4.615 1.00 0.00 O ATOM 618 ND2 ASN A 38 -8.911 -4.952 5.126 1.00 0.00 N ATOM 0 H ASN A 38 -7.606 -6.864 3.222 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.064 -7.012 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.463 -5.446 3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.968 -6.627 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.494 -4.241 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.448 -5.853 5.004 1.00 0.00 H new ATOM 625 N SER A 39 -9.661 -4.177 1.608 1.00 0.00 N ATOM 626 CA SER A 39 -9.136 -3.015 0.900 1.00 0.00 C ATOM 627 C SER A 39 -8.517 -2.021 1.878 1.00 0.00 C ATOM 628 O SER A 39 -9.227 -1.331 2.610 1.00 0.00 O ATOM 629 CB SER A 39 -10.247 -2.335 0.097 1.00 0.00 C ATOM 630 OG SER A 39 -9.733 -1.275 -0.690 1.00 0.00 O ATOM 0 H SER A 39 -10.651 -4.114 1.847 1.00 0.00 H new ATOM 0 HA SER A 39 -8.361 -3.356 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.734 -3.067 -0.547 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.008 -1.951 0.776 1.00 0.00 H new ATOM 0 HG SER A 39 -10.463 -0.858 -1.194 1.00 0.00 H new ATOM 636 N TYR A 40 -7.189 -1.955 1.886 1.00 0.00 N ATOM 637 CA TYR A 40 -6.473 -1.047 2.776 1.00 0.00 C ATOM 638 C TYR A 40 -6.366 0.347 2.165 1.00 0.00 C ATOM 639 O TYR A 40 -5.785 0.525 1.095 1.00 0.00 O ATOM 640 CB TYR A 40 -5.075 -1.593 3.081 1.00 0.00 C ATOM 641 CG TYR A 40 -4.529 -1.161 4.426 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.372 0.184 4.736 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.171 -2.100 5.385 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.874 0.581 5.963 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.672 -1.711 6.614 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.526 -0.370 6.898 1.00 0.00 C ATOM 647 OH TYR A 40 -3.030 0.022 8.120 1.00 0.00 O ATOM 0 H TYR A 40 -6.587 -2.519 1.286 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.037 -0.972 3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.105 -2.682 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.389 -1.266 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.644 0.932 4.006 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.284 -3.152 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.758 1.631 6.188 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.398 -2.454 7.348 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.835 -0.770 8.663 1.00 0.00 H new ATOM 657 N THR A 41 -6.931 1.335 2.857 1.00 0.00 N ATOM 658 CA THR A 41 -6.902 2.716 2.390 1.00 0.00 C ATOM 659 C THR A 41 -6.258 3.634 3.424 1.00 0.00 C ATOM 660 O THR A 41 -6.689 3.684 4.575 1.00 0.00 O ATOM 661 CB THR A 41 -8.320 3.232 2.079 1.00 0.00 C ATOM 662 OG1 THR A 41 -9.062 2.232 1.371 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.264 4.508 1.253 1.00 0.00 C ATOM 0 H THR A 41 -7.415 1.202 3.745 1.00 0.00 H new ATOM 0 HA THR A 41 -6.308 2.728 1.476 1.00 0.00 H new ATOM 0 HB THR A 41 -8.817 3.452 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.962 2.568 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.277 4.852 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.725 5.277 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.749 4.310 0.313 1.00 0.00 H new ATOM 671 N ILE A 42 -5.226 4.359 3.005 1.00 0.00 N ATOM 672 CA ILE A 42 -4.525 5.277 3.897 1.00 0.00 C ATOM 673 C ILE A 42 -5.151 6.668 3.847 1.00 0.00 C ATOM 674 O ILE A 42 -5.242 7.280 2.784 1.00 0.00 O ATOM 675 CB ILE A 42 -3.028 5.378 3.536 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.333 4.036 3.778 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.351 6.481 4.340 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.625 3.495 2.556 1.00 0.00 C ATOM 0 H ILE A 42 -4.857 4.329 2.055 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.616 4.877 4.907 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.946 5.629 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.610 4.150 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.072 3.308 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.297 6.534 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.830 7.436 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.442 6.263 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.155 2.542 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.347 3.348 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.862 4.204 2.234 1.00 0.00 H new ATOM 690 N LYS A 43 -5.582 7.160 5.005 1.00 0.00 N ATOM 691 CA LYS A 43 -6.200 8.478 5.094 1.00 0.00 C ATOM 692 C LYS A 43 -5.407 9.387 6.027 1.00 0.00 C ATOM 693 O LYS A 43 -5.464 9.241 7.248 1.00 0.00 O ATOM 694 CB LYS A 43 -7.645 8.362 5.586 1.00 0.00 C ATOM 695 CG LYS A 43 -8.300 7.030 5.259 1.00 0.00 C ATOM 696 CD LYS A 43 -9.147 6.530 6.417 1.00 0.00 C ATOM 697 CE LYS A 43 -9.628 5.109 6.179 1.00 0.00 C ATOM 698 NZ LYS A 43 -9.403 4.239 7.365 1.00 0.00 N ATOM 0 H LYS A 43 -5.514 6.665 5.894 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.200 8.917 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.664 8.510 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.235 9.165 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.922 7.137 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.532 6.293 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.566 6.569 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.005 7.188 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.690 5.122 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.108 4.690 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.745 3.278 7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.387 4.206 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.920 4.624 8.181 1.00 0.00 H new ATOM 712 N GLY A 44 -4.668 10.325 5.443 1.00 0.00 N ATOM 713 CA GLY A 44 -3.873 11.245 6.235 1.00 0.00 C ATOM 714 C GLY A 44 -3.171 12.282 5.382 1.00 0.00 C ATOM 715 O GLY A 44 -2.331 13.036 5.875 1.00 0.00 O ATOM 0 H GLY A 44 -4.606 10.464 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.516 11.747 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.132 10.684 6.804 1.00 0.00 H new ATOM 719 N LEU A 45 -3.517 12.318 4.100 1.00 0.00 N ATOM 720 CA LEU A 45 -2.918 13.268 3.170 1.00 0.00 C ATOM 721 C LEU A 45 -3.794 14.512 3.038 1.00 0.00 C ATOM 722 O LEU A 45 -4.408 14.950 4.011 1.00 0.00 O ATOM 723 CB LEU A 45 -2.712 12.614 1.796 1.00 0.00 C ATOM 724 CG LEU A 45 -2.105 11.203 1.806 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.085 11.042 2.927 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.200 10.159 1.927 1.00 0.00 C ATOM 0 H LEU A 45 -4.211 11.699 3.680 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.946 13.568 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.676 12.570 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.068 13.261 1.201 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.582 11.057 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.676 10.032 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.279 11.763 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.570 11.216 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.755 9.164 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.751 10.315 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.881 10.247 1.081 1.00 0.00 H new ATOM 738 N LYS A 46 -3.851 15.078 1.835 1.00 0.00 N ATOM 739 CA LYS A 46 -4.657 16.269 1.594 1.00 0.00 C ATOM 740 C LYS A 46 -4.833 16.511 0.096 1.00 0.00 C ATOM 741 O LYS A 46 -3.899 16.320 -0.681 1.00 0.00 O ATOM 742 CB LYS A 46 -4.005 17.486 2.258 1.00 0.00 C ATOM 743 CG LYS A 46 -4.488 18.820 1.712 1.00 0.00 C ATOM 744 CD LYS A 46 -3.525 19.942 2.054 1.00 0.00 C ATOM 745 CE LYS A 46 -3.859 21.213 1.292 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.733 21.028 -0.179 1.00 0.00 N ATOM 0 H LYS A 46 -3.351 14.732 1.016 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.644 16.114 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.201 17.451 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.925 17.422 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.600 18.752 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.473 19.047 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.560 20.139 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.506 19.633 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.876 21.524 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.195 22.015 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.632 21.956 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.896 20.446 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.583 20.552 -0.543 1.00 0.00 H new ATOM 760 N PRO A 47 -6.040 16.934 -0.330 1.00 0.00 N ATOM 761 CA PRO A 47 -6.326 17.200 -1.745 1.00 0.00 C ATOM 762 C PRO A 47 -5.348 18.205 -2.347 1.00 0.00 C ATOM 763 O PRO A 47 -5.534 19.417 -2.229 1.00 0.00 O ATOM 764 CB PRO A 47 -7.746 17.777 -1.724 1.00 0.00 C ATOM 765 CG PRO A 47 -8.345 17.269 -0.459 1.00 0.00 C ATOM 766 CD PRO A 47 -7.213 17.183 0.526 1.00 0.00 C ATOM 0 HA PRO A 47 -6.231 16.303 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.730 18.867 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.319 17.450 -2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.126 17.939 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.807 16.293 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.106 18.105 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.365 16.378 1.245 1.00 0.00 H new ATOM 774 N GLY A 48 -4.302 17.690 -2.986 1.00 0.00 N ATOM 775 CA GLY A 48 -3.302 18.548 -3.592 1.00 0.00 C ATOM 776 C GLY A 48 -1.894 18.078 -3.287 1.00 0.00 C ATOM 777 O GLY A 48 -0.968 18.312 -4.065 1.00 0.00 O ATOM 0 H GLY A 48 -4.130 16.691 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.451 18.572 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.431 19.568 -3.229 1.00 0.00 H new ATOM 781 N VAL A 49 -1.736 17.407 -2.152 1.00 0.00 N ATOM 782 CA VAL A 49 -0.438 16.889 -1.735 1.00 0.00 C ATOM 783 C VAL A 49 -0.253 15.456 -2.213 1.00 0.00 C ATOM 784 O VAL A 49 -1.071 14.586 -1.917 1.00 0.00 O ATOM 785 CB VAL A 49 -0.280 16.923 -0.204 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.188 16.985 0.182 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.045 18.092 0.393 1.00 0.00 C ATOM 0 H VAL A 49 -2.495 17.208 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 49 0.320 17.531 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.700 16.003 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.278 17.008 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.704 16.107 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.637 17.885 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.918 18.095 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.663 19.026 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.104 17.995 0.152 1.00 0.00 H new ATOM 797 N VAL A 50 0.820 15.214 -2.953 1.00 0.00 N ATOM 798 CA VAL A 50 1.098 13.882 -3.470 1.00 0.00 C ATOM 799 C VAL A 50 2.155 13.171 -2.634 1.00 0.00 C ATOM 800 O VAL A 50 3.268 13.670 -2.464 1.00 0.00 O ATOM 801 CB VAL A 50 1.563 13.935 -4.936 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.850 12.536 -5.460 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.519 14.632 -5.795 1.00 0.00 C ATOM 0 H VAL A 50 1.510 15.920 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 50 0.165 13.322 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 50 2.488 14.509 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.177 12.596 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.634 12.076 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.945 11.932 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.861 14.663 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.422 14.085 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.369 15.649 -5.432 1.00 0.00 H new ATOM 813 N TYR A 51 1.798 12.000 -2.118 1.00 0.00 N ATOM 814 CA TYR A 51 2.713 11.210 -1.304 1.00 0.00 C ATOM 815 C TYR A 51 3.222 10.011 -2.089 1.00 0.00 C ATOM 816 O TYR A 51 2.443 9.147 -2.492 1.00 0.00 O ATOM 817 CB TYR A 51 2.020 10.736 -0.025 1.00 0.00 C ATOM 818 CG TYR A 51 1.682 11.853 0.937 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.714 12.798 0.622 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.326 11.959 2.164 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.398 13.817 1.500 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.016 12.974 3.047 1.00 0.00 C ATOM 823 CZ TYR A 51 1.051 13.901 2.712 1.00 0.00 C ATOM 824 OH TYR A 51 0.739 14.913 3.589 1.00 0.00 O ATOM 0 H TYR A 51 0.879 11.577 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 51 3.560 11.841 -1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.103 10.210 -0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.664 10.016 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.199 12.735 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.082 11.235 2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.357 14.544 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.527 13.042 3.996 1.00 0.00 H new ATOM 0 HH TYR A 51 1.289 14.828 4.396 1.00 0.00 H new ATOM 834 N GLU A 52 4.531 9.961 -2.302 1.00 0.00 N ATOM 835 CA GLU A 52 5.135 8.857 -3.040 1.00 0.00 C ATOM 836 C GLU A 52 5.343 7.661 -2.117 1.00 0.00 C ATOM 837 O GLU A 52 5.557 7.830 -0.920 1.00 0.00 O ATOM 838 CB GLU A 52 6.462 9.296 -3.671 1.00 0.00 C ATOM 839 CG GLU A 52 7.695 8.952 -2.846 1.00 0.00 C ATOM 840 CD GLU A 52 8.964 8.947 -3.673 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.098 8.068 -4.551 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.826 9.822 -3.445 1.00 0.00 O ATOM 0 H GLU A 52 5.192 10.667 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 52 4.460 8.560 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.555 8.831 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.436 10.374 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.797 9.672 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.560 7.972 -2.388 1.00 0.00 H new ATOM 849 N GLY A 53 5.270 6.454 -2.668 1.00 0.00 N ATOM 850 CA GLY A 53 5.448 5.272 -1.847 1.00 0.00 C ATOM 851 C GLY A 53 5.663 4.007 -2.653 1.00 0.00 C ATOM 852 O GLY A 53 5.330 3.946 -3.832 1.00 0.00 O ATOM 0 H GLY A 53 5.093 6.274 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.302 5.423 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.572 5.145 -1.211 1.00 0.00 H new ATOM 856 N GLN A 54 6.213 2.991 -1.998 1.00 0.00 N ATOM 857 CA GLN A 54 6.471 1.706 -2.633 1.00 0.00 C ATOM 858 C GLN A 54 5.976 0.576 -1.738 1.00 0.00 C ATOM 859 O GLN A 54 5.930 0.717 -0.517 1.00 0.00 O ATOM 860 CB GLN A 54 7.965 1.534 -2.916 1.00 0.00 C ATOM 861 CG GLN A 54 8.840 2.535 -2.184 1.00 0.00 C ATOM 862 CD GLN A 54 10.188 2.732 -2.849 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.785 1.784 -3.358 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.673 3.968 -2.846 1.00 0.00 N ATOM 0 H GLN A 54 6.491 3.035 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 54 5.934 1.674 -3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.266 0.525 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.137 1.629 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.322 3.493 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.991 2.197 -1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.142 4.723 -2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.576 4.162 -3.278 1.00 0.00 H new ATOM 873 N LEU A 55 5.604 -0.542 -2.348 1.00 0.00 N ATOM 874 CA LEU A 55 5.109 -1.688 -1.596 1.00 0.00 C ATOM 875 C LEU A 55 6.100 -2.845 -1.652 1.00 0.00 C ATOM 876 O LEU A 55 6.252 -3.494 -2.686 1.00 0.00 O ATOM 877 CB LEU A 55 3.749 -2.129 -2.142 1.00 0.00 C ATOM 878 CG LEU A 55 3.138 -3.354 -1.460 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.711 -3.018 -0.040 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.957 -3.874 -2.264 1.00 0.00 C ATOM 0 H LEU A 55 5.635 -0.680 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 55 4.993 -1.389 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.051 -1.296 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.854 -2.341 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 55 3.895 -4.136 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.279 -3.902 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.579 -2.691 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.969 -2.220 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.533 -4.746 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.198 -3.095 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.292 -4.154 -3.263 1.00 0.00 H new ATOM 892 N ILE A 56 6.770 -3.096 -0.532 1.00 0.00 N ATOM 893 CA ILE A 56 7.749 -4.173 -0.445 1.00 0.00 C ATOM 894 C ILE A 56 7.104 -5.458 0.059 1.00 0.00 C ATOM 895 O ILE A 56 6.290 -5.434 0.981 1.00 0.00 O ATOM 896 CB ILE A 56 8.922 -3.798 0.483 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.588 -2.507 0.005 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.939 -4.931 0.544 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.932 -1.252 0.538 1.00 0.00 C ATOM 0 H ILE A 56 6.652 -2.566 0.331 1.00 0.00 H new ATOM 0 HA ILE A 56 8.134 -4.333 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 56 8.529 -3.634 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.635 -2.515 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.570 -2.481 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.760 -4.648 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.459 -5.831 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.328 -5.125 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.458 -0.377 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.892 -1.220 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.973 -1.254 1.627 1.00 0.00 H new ATOM 911 N SER A 57 7.474 -6.581 -0.548 1.00 0.00 N ATOM 912 CA SER A 57 6.929 -7.873 -0.156 1.00 0.00 C ATOM 913 C SER A 57 8.032 -8.808 0.316 1.00 0.00 C ATOM 914 O SER A 57 8.988 -9.081 -0.411 1.00 0.00 O ATOM 915 CB SER A 57 6.164 -8.511 -1.315 1.00 0.00 C ATOM 916 OG SER A 57 6.796 -9.700 -1.758 1.00 0.00 O ATOM 0 H SER A 57 8.148 -6.621 -1.312 1.00 0.00 H new ATOM 0 HA SER A 57 6.239 -7.706 0.671 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.144 -8.734 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.096 -7.804 -2.141 1.00 0.00 H new ATOM 0 HG SER A 57 6.284 -10.086 -2.499 1.00 0.00 H new ATOM 922 N ILE A 58 7.885 -9.300 1.535 1.00 0.00 N ATOM 923 CA ILE A 58 8.858 -10.214 2.116 1.00 0.00 C ATOM 924 C ILE A 58 8.251 -11.598 2.313 1.00 0.00 C ATOM 925 O ILE A 58 7.285 -11.764 3.062 1.00 0.00 O ATOM 926 CB ILE A 58 9.389 -9.696 3.468 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.716 -8.204 3.375 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.619 -10.487 3.893 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.557 -7.465 4.687 1.00 0.00 C ATOM 0 H ILE A 58 7.097 -9.081 2.145 1.00 0.00 H new ATOM 0 HA ILE A 58 9.691 -10.278 1.416 1.00 0.00 H new ATOM 0 HB ILE A 58 8.614 -9.833 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.741 -8.087 3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.068 -7.745 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.982 -10.109 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.357 -11.540 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.400 -10.378 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.806 -6.413 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.526 -7.551 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.225 -7.898 5.432 1.00 0.00 H new ATOM 941 N GLN A 59 8.819 -12.587 1.630 1.00 0.00 N ATOM 942 CA GLN A 59 8.334 -13.958 1.722 1.00 0.00 C ATOM 943 C GLN A 59 8.987 -14.689 2.892 1.00 0.00 C ATOM 944 O GLN A 59 9.912 -14.175 3.520 1.00 0.00 O ATOM 945 CB GLN A 59 8.613 -14.708 0.418 1.00 0.00 C ATOM 946 CG GLN A 59 8.387 -13.867 -0.830 1.00 0.00 C ATOM 947 CD GLN A 59 7.095 -14.218 -1.545 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.023 -14.180 -2.773 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.066 -14.561 -0.779 1.00 0.00 N ATOM 0 H GLN A 59 9.617 -12.463 1.006 1.00 0.00 H new ATOM 0 HA GLN A 59 7.258 -13.926 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.644 -15.062 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.974 -15.590 0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.371 -12.812 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.225 -14.005 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.169 -14.579 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.172 -14.806 -1.205 1.00 0.00 H new ATOM 958 N GLN A 60 8.496 -15.890 3.179 1.00 0.00 N ATOM 959 CA GLN A 60 9.028 -16.694 4.275 1.00 0.00 C ATOM 960 C GLN A 60 10.438 -17.183 3.961 1.00 0.00 C ATOM 961 O GLN A 60 11.212 -17.498 4.866 1.00 0.00 O ATOM 962 CB GLN A 60 8.113 -17.890 4.552 1.00 0.00 C ATOM 963 CG GLN A 60 7.549 -18.530 3.294 1.00 0.00 C ATOM 964 CD GLN A 60 7.189 -19.989 3.491 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.412 -20.334 4.382 1.00 0.00 O ATOM 966 NE2 GLN A 60 7.753 -20.855 2.657 1.00 0.00 N ATOM 0 H GLN A 60 7.730 -16.329 2.668 1.00 0.00 H new ATOM 0 HA GLN A 60 9.071 -16.063 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.670 -18.641 5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.288 -17.566 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.662 -17.981 2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.280 -18.446 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.391 -20.524 1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.548 -21.851 2.740 1.00 0.00 H new ATOM 975 N TYR A 61 10.766 -17.251 2.674 1.00 0.00 N ATOM 976 CA TYR A 61 12.083 -17.706 2.244 1.00 0.00 C ATOM 977 C TYR A 61 12.965 -16.530 1.829 1.00 0.00 C ATOM 978 O TYR A 61 14.090 -16.720 1.367 1.00 0.00 O ATOM 979 CB TYR A 61 11.949 -18.696 1.084 1.00 0.00 C ATOM 980 CG TYR A 61 12.229 -20.131 1.477 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.406 -20.800 2.377 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.316 -20.816 0.948 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.660 -22.109 2.738 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.575 -22.127 1.304 1.00 0.00 C ATOM 985 CZ TYR A 61 12.745 -22.768 2.199 1.00 0.00 C ATOM 986 OH TYR A 61 13.001 -24.072 2.556 1.00 0.00 O ATOM 0 H TYR A 61 10.138 -16.997 1.912 1.00 0.00 H new ATOM 0 HA TYR A 61 12.558 -18.206 3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.941 -18.630 0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.635 -18.405 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.555 -20.288 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.969 -20.317 0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.012 -22.614 3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.423 -22.646 0.883 1.00 0.00 H new ATOM 0 HH TYR A 61 13.801 -24.389 2.086 1.00 0.00 H new ATOM 996 N GLY A 62 12.448 -15.315 2.000 1.00 0.00 N ATOM 997 CA GLY A 62 13.206 -14.129 1.642 1.00 0.00 C ATOM 998 C GLY A 62 12.566 -13.347 0.510 1.00 0.00 C ATOM 999 O GLY A 62 11.358 -13.110 0.518 1.00 0.00 O ATOM 0 H GLY A 62 11.519 -15.132 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.300 -13.485 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.215 -14.421 1.352 1.00 0.00 H new ATOM 1003 N HIS A 63 13.381 -12.944 -0.465 1.00 0.00 N ATOM 1004 CA HIS A 63 12.900 -12.181 -1.616 1.00 0.00 C ATOM 1005 C HIS A 63 12.373 -10.813 -1.194 1.00 0.00 C ATOM 1006 O HIS A 63 12.192 -10.545 -0.006 1.00 0.00 O ATOM 1007 CB HIS A 63 11.799 -12.950 -2.349 1.00 0.00 C ATOM 1008 CG HIS A 63 12.278 -13.662 -3.576 1.00 0.00 C ATOM 1009 ND1 HIS A 63 12.359 -15.033 -3.623 1.00 0.00 N ATOM 1010 CD2 HIS A 63 12.686 -13.152 -4.764 1.00 0.00 C ATOM 1011 CE1 HIS A 63 12.810 -15.326 -4.829 1.00 0.00 C ATOM 1012 NE2 HIS A 63 13.023 -14.219 -5.557 1.00 0.00 N ATOM 0 H HIS A 63 14.383 -13.135 -0.480 1.00 0.00 H new ATOM 0 HA HIS A 63 13.746 -12.034 -2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.359 -13.677 -1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.007 -12.255 -2.628 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.736 -12.107 -5.034 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.985 -16.331 -5.185 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.369 -14.179 -6.516 1.00 0.00 H new ATOM 1020 N GLN A 64 12.127 -9.952 -2.179 1.00 0.00 N ATOM 1021 CA GLN A 64 11.617 -8.612 -1.915 1.00 0.00 C ATOM 1022 C GLN A 64 10.934 -8.030 -3.151 1.00 0.00 C ATOM 1023 O GLN A 64 11.591 -7.687 -4.134 1.00 0.00 O ATOM 1024 CB GLN A 64 12.749 -7.690 -1.462 1.00 0.00 C ATOM 1025 CG GLN A 64 12.878 -7.590 0.048 1.00 0.00 C ATOM 1026 CD GLN A 64 14.299 -7.823 0.527 1.00 0.00 C ATOM 1027 OE1 GLN A 64 14.865 -8.898 0.328 1.00 0.00 O ATOM 1028 NE2 GLN A 64 14.882 -6.813 1.162 1.00 0.00 N ATOM 0 H GLN A 64 12.273 -10.160 -3.167 1.00 0.00 H new ATOM 0 HA GLN A 64 10.878 -8.687 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.690 -8.052 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.582 -6.694 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.546 -6.604 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.216 -8.320 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.375 -5.940 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.837 -6.911 1.507 1.00 0.00 H new ATOM 1037 N GLU A 65 9.610 -7.920 -3.088 1.00 0.00 N ATOM 1038 CA GLU A 65 8.826 -7.376 -4.191 1.00 0.00 C ATOM 1039 C GLU A 65 8.465 -5.924 -3.917 1.00 0.00 C ATOM 1040 O GLU A 65 7.756 -5.628 -2.959 1.00 0.00 O ATOM 1041 CB GLU A 65 7.553 -8.202 -4.379 1.00 0.00 C ATOM 1042 CG GLU A 65 7.135 -8.360 -5.831 1.00 0.00 C ATOM 1043 CD GLU A 65 5.984 -7.447 -6.209 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.053 -7.298 -5.391 1.00 0.00 O ATOM 1045 OE2 GLU A 65 6.014 -6.883 -7.322 1.00 0.00 O ATOM 0 H GLU A 65 9.056 -8.202 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 65 9.422 -7.422 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.704 -9.190 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.740 -7.731 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.988 -8.149 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.847 -9.396 -6.012 1.00 0.00 H new ATOM 1052 N VAL A 66 8.963 -5.017 -4.749 1.00 0.00 N ATOM 1053 CA VAL A 66 8.695 -3.597 -4.560 1.00 0.00 C ATOM 1054 C VAL A 66 8.055 -2.953 -5.787 1.00 0.00 C ATOM 1055 O VAL A 66 8.454 -3.211 -6.922 1.00 0.00 O ATOM 1056 CB VAL A 66 9.987 -2.839 -4.214 1.00 0.00 C ATOM 1057 CG1 VAL A 66 9.672 -1.406 -3.814 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.744 -3.555 -3.108 1.00 0.00 C ATOM 0 H VAL A 66 9.549 -5.237 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 66 7.989 -3.528 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 66 10.622 -2.814 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.598 -0.884 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.174 -0.899 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.018 -1.407 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.656 -3.005 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.118 -3.613 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.002 -4.562 -3.436 1.00 0.00 H new ATOM 1068 N THR A 67 7.063 -2.101 -5.534 1.00 0.00 N ATOM 1069 CA THR A 67 6.357 -1.388 -6.593 1.00 0.00 C ATOM 1070 C THR A 67 6.124 0.068 -6.191 1.00 0.00 C ATOM 1071 O THR A 67 5.565 0.341 -5.131 1.00 0.00 O ATOM 1072 CB THR A 67 5.002 -2.051 -6.911 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.213 -3.367 -7.435 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.211 -1.222 -7.914 1.00 0.00 C ATOM 0 H THR A 67 6.729 -1.887 -4.594 1.00 0.00 H new ATOM 0 HA THR A 67 6.981 -1.427 -7.486 1.00 0.00 H new ATOM 0 HB THR A 67 4.429 -2.114 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.348 -3.783 -7.633 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.260 -1.712 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.026 -0.230 -7.501 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.780 -1.130 -8.839 1.00 0.00 H new ATOM 1082 N ARG A 68 6.562 0.996 -7.038 1.00 0.00 N ATOM 1083 CA ARG A 68 6.404 2.422 -6.759 1.00 0.00 C ATOM 1084 C ARG A 68 5.026 2.922 -7.188 1.00 0.00 C ATOM 1085 O ARG A 68 4.475 2.467 -8.192 1.00 0.00 O ATOM 1086 CB ARG A 68 7.495 3.219 -7.474 1.00 0.00 C ATOM 1087 CG ARG A 68 8.898 2.707 -7.192 1.00 0.00 C ATOM 1088 CD ARG A 68 9.798 3.811 -6.661 1.00 0.00 C ATOM 1089 NE ARG A 68 10.359 4.625 -7.735 1.00 0.00 N ATOM 1090 CZ ARG A 68 9.850 5.791 -8.121 1.00 0.00 C ATOM 1091 NH1 ARG A 68 8.766 6.275 -7.527 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.421 6.473 -9.103 1.00 0.00 N ATOM 0 H ARG A 68 7.028 0.788 -7.921 1.00 0.00 H new ATOM 0 HA ARG A 68 6.496 2.567 -5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.313 3.187 -8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.430 4.264 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.851 1.894 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.326 2.295 -8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.229 4.448 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.608 3.370 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 68 11.189 4.279 -8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.321 5.752 -6.772 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.378 7.170 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.252 6.104 -9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.029 7.367 -9.398 1.00 0.00 H new ATOM 1106 N PHE A 69 4.475 3.859 -6.418 1.00 0.00 N ATOM 1107 CA PHE A 69 3.161 4.421 -6.714 1.00 0.00 C ATOM 1108 C PHE A 69 2.996 5.808 -6.098 1.00 0.00 C ATOM 1109 O PHE A 69 3.662 6.151 -5.121 1.00 0.00 O ATOM 1110 CB PHE A 69 2.057 3.498 -6.187 1.00 0.00 C ATOM 1111 CG PHE A 69 2.359 2.900 -4.839 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.301 3.673 -3.687 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.700 1.563 -4.725 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.578 3.121 -2.448 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.978 1.007 -3.491 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.918 1.786 -2.352 1.00 0.00 C ATOM 0 H PHE A 69 4.919 4.244 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 69 3.079 4.511 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.125 4.060 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.896 2.693 -6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.037 4.718 -3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.749 0.947 -5.611 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.528 3.733 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.242 -0.038 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.137 1.352 -1.388 1.00 0.00 H new ATOM 1126 N ASP A 70 2.085 6.591 -6.666 1.00 0.00 N ATOM 1127 CA ASP A 70 1.799 7.933 -6.169 1.00 0.00 C ATOM 1128 C ASP A 70 0.314 8.045 -5.839 1.00 0.00 C ATOM 1129 O ASP A 70 -0.534 7.864 -6.712 1.00 0.00 O ATOM 1130 CB ASP A 70 2.191 8.987 -7.207 1.00 0.00 C ATOM 1131 CG ASP A 70 2.006 8.495 -8.629 1.00 0.00 C ATOM 1132 OD1 ASP A 70 0.844 8.381 -9.071 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.023 8.221 -9.299 1.00 0.00 O ATOM 0 H ASP A 70 1.529 6.317 -7.476 1.00 0.00 H new ATOM 0 HA ASP A 70 2.385 8.110 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.590 9.884 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.232 9.271 -7.056 1.00 0.00 H new ATOM 1138 N PHE A 71 -0.001 8.318 -4.576 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.395 8.414 -4.158 1.00 0.00 C ATOM 1140 C PHE A 71 -1.619 9.514 -3.125 1.00 0.00 C ATOM 1141 O PHE A 71 -0.722 9.865 -2.358 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.854 7.074 -3.579 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.207 6.743 -2.261 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.122 6.351 -2.203 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.928 6.830 -1.081 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.719 6.052 -0.992 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.336 6.534 0.132 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.011 6.144 0.177 1.00 0.00 C ATOM 0 H PHE A 71 0.680 8.475 -3.833 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.980 8.667 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.936 7.093 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.632 6.282 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.697 6.278 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.964 7.133 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.755 5.747 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.909 6.607 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.453 5.912 1.124 1.00 0.00 H new ATOM 1158 N THR A 72 -2.844 10.034 -3.112 1.00 0.00 N ATOM 1159 CA THR A 72 -3.249 11.079 -2.179 1.00 0.00 C ATOM 1160 C THR A 72 -4.722 10.909 -1.819 1.00 0.00 C ATOM 1161 O THR A 72 -5.431 10.134 -2.462 1.00 0.00 O ATOM 1162 CB THR A 72 -3.029 12.499 -2.747 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.287 13.083 -3.103 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.113 12.482 -3.962 1.00 0.00 C ATOM 0 H THR A 72 -3.584 9.741 -3.750 1.00 0.00 H new ATOM 0 HA THR A 72 -2.623 10.974 -1.293 1.00 0.00 H new ATOM 0 HB THR A 72 -2.550 13.096 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.140 13.983 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.982 13.498 -4.333 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.143 12.071 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.556 11.865 -4.743 1.00 0.00 H new