USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 755 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 Set 1.1: A 92 GLN : amide:sc= 0.309 K(o=0.6,f=0) USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.29 USER MOD Set 2.1: A 35 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.1) USER MOD Set 2.2: A 37 HIS : no HD1:sc=-0.00415 X(o=-0.27,f=-0.27) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.506 USER MOD Set 3.2: A 86 THR OG1 : rot -68:sc= 0.547 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -175:sc= -0.946 (180deg=-1.05) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.0276 (180deg=-0.291) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0342 (180deg=-0.315) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.54! USER MOD Single : A 45 THR OG1 : rot -138:sc= 0.248 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.93 USER MOD Single : A 51 TYR OH : rot 27:sc= 1.3 USER MOD Single : A 53 GLN : amide:sc= -0.991 K(o=-0.99,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -146:sc= -0.151 (180deg=-1.43) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0689 X(o=-0.069,f=-0.13) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 80 THR OG1 : rot 46:sc= 0.159 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 87 SER OG : rot 85:sc= 0.295 USER MOD Single : A 89 SER OG : rot 149:sc= -0.915! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 93 GLN : amide:sc= -2.2! C(o=-2.2!,f=-4!) USER MOD Single : A 98 TYR OH : rot 36:sc= 1.29 USER MOD Single : A 100 GLN : amide:sc= -0.839 K(o=-0.84,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -38:sc= 1.29 USER MOD Single : A 112 SER OG : rot 39:sc= 0.368 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -5.293 -11.550 10.564 1.00 0.00 N ATOM 186 CA PHE A 13 -6.132 -10.561 9.906 1.00 0.00 C ATOM 187 C PHE A 13 -5.973 -10.627 8.390 1.00 0.00 C ATOM 188 O PHE A 13 -4.869 -10.822 7.869 1.00 0.00 O ATOM 189 CB PHE A 13 -5.831 -9.144 10.421 1.00 0.00 C ATOM 190 CG PHE A 13 -4.414 -8.681 10.206 1.00 0.00 C ATOM 191 CD1 PHE A 13 -3.437 -8.933 11.153 1.00 0.00 C ATOM 192 CD2 PHE A 13 -4.063 -7.989 9.057 1.00 0.00 C ATOM 193 CE1 PHE A 13 -2.138 -8.503 10.961 1.00 0.00 C ATOM 194 CE2 PHE A 13 -2.765 -7.557 8.860 1.00 0.00 C ATOM 195 CZ PHE A 13 -1.801 -7.816 9.812 1.00 0.00 C ATOM 0 HA PHE A 13 -7.168 -10.795 10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.506 -8.443 9.929 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.053 -9.106 11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.693 -9.472 12.053 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.813 -7.785 8.307 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.386 -8.704 11.710 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.506 -7.017 7.961 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.785 -7.482 9.659 1.00 0.00 H new ATOM 205 N SER A 14 -7.086 -10.497 7.694 1.00 0.00 N ATOM 206 CA SER A 14 -7.084 -10.475 6.247 1.00 0.00 C ATOM 207 C SER A 14 -7.373 -9.067 5.751 1.00 0.00 C ATOM 208 O SER A 14 -8.275 -8.395 6.251 1.00 0.00 O ATOM 209 CB SER A 14 -8.127 -11.454 5.700 1.00 0.00 C ATOM 210 OG SER A 14 -8.134 -11.451 4.282 1.00 0.00 O ATOM 0 H SER A 14 -8.011 -10.404 8.114 1.00 0.00 H new ATOM 0 HA SER A 14 -6.101 -10.781 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.913 -12.459 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.115 -11.184 6.072 1.00 0.00 H new ATOM 0 HG SER A 14 -8.807 -12.085 3.957 1.00 0.00 H new ATOM 216 N ILE A 15 -6.598 -8.615 4.781 1.00 0.00 N ATOM 217 CA ILE A 15 -6.801 -7.299 4.205 1.00 0.00 C ATOM 218 C ILE A 15 -7.347 -7.437 2.795 1.00 0.00 C ATOM 219 O ILE A 15 -6.664 -7.941 1.903 1.00 0.00 O ATOM 220 CB ILE A 15 -5.497 -6.473 4.177 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.922 -6.348 5.592 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.754 -5.093 3.578 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.632 -5.558 5.660 1.00 0.00 C ATOM 0 H ILE A 15 -5.823 -9.140 4.376 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.516 -6.769 4.834 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.769 -6.988 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.663 -5.872 6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.747 -7.347 5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.825 -4.523 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.127 -5.202 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.494 -4.567 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.287 -5.513 6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.875 -6.044 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.805 -4.547 5.291 1.00 0.00 H new ATOM 235 N GLU A 16 -8.584 -7.012 2.611 1.00 0.00 N ATOM 236 CA GLU A 16 -9.246 -7.116 1.325 1.00 0.00 C ATOM 237 C GLU A 16 -8.907 -5.896 0.478 1.00 0.00 C ATOM 238 O GLU A 16 -9.318 -4.775 0.793 1.00 0.00 O ATOM 239 CB GLU A 16 -10.761 -7.247 1.541 1.00 0.00 C ATOM 240 CG GLU A 16 -11.551 -7.659 0.305 1.00 0.00 C ATOM 241 CD GLU A 16 -11.939 -6.488 -0.573 1.00 0.00 C ATOM 242 OE1 GLU A 16 -12.747 -5.648 -0.127 1.00 0.00 O ATOM 243 OE2 GLU A 16 -11.460 -6.411 -1.721 1.00 0.00 O ATOM 0 H GLU A 16 -9.154 -6.588 3.343 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.900 -8.003 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.939 -7.979 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.146 -6.292 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.958 -8.362 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.453 -8.185 0.617 1.00 0.00 H new ATOM 250 N THR A 17 -8.125 -6.115 -0.567 1.00 0.00 N ATOM 251 CA THR A 17 -7.728 -5.046 -1.467 1.00 0.00 C ATOM 252 C THR A 17 -8.413 -5.215 -2.818 1.00 0.00 C ATOM 253 O THR A 17 -8.565 -6.338 -3.309 1.00 0.00 O ATOM 254 CB THR A 17 -6.193 -5.010 -1.666 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.722 -6.257 -2.195 1.00 0.00 O ATOM 256 CG2 THR A 17 -5.475 -4.716 -0.354 1.00 0.00 C ATOM 0 H THR A 17 -7.751 -7.031 -0.813 1.00 0.00 H new ATOM 0 HA THR A 17 -8.036 -4.103 -1.014 1.00 0.00 H new ATOM 0 HB THR A 17 -5.974 -4.211 -2.374 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.750 -6.215 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.399 -4.697 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.799 -3.748 0.029 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.713 -5.492 0.373 1.00 0.00 H new ATOM 264 N MET A 18 -8.858 -4.113 -3.409 1.00 0.00 N ATOM 265 CA MET A 18 -9.485 -4.175 -4.723 1.00 0.00 C ATOM 266 C MET A 18 -8.439 -4.479 -5.788 1.00 0.00 C ATOM 267 O MET A 18 -7.290 -4.049 -5.674 1.00 0.00 O ATOM 268 CB MET A 18 -10.214 -2.872 -5.071 1.00 0.00 C ATOM 269 CG MET A 18 -9.308 -1.658 -5.175 1.00 0.00 C ATOM 270 SD MET A 18 -9.953 -0.404 -6.302 1.00 0.00 S ATOM 271 CE MET A 18 -11.513 -0.001 -5.522 1.00 0.00 C ATOM 0 H MET A 18 -8.798 -3.178 -3.006 1.00 0.00 H new ATOM 0 HA MET A 18 -10.225 -4.975 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 18 -10.736 -3.003 -6.019 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.973 -2.680 -4.313 1.00 0.00 H new ATOM 0 HG2 MET A 18 -9.179 -1.220 -4.185 1.00 0.00 H new ATOM 0 HG3 MET A 18 -8.322 -1.974 -5.515 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.065 0.696 -6.152 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.098 -0.911 -5.387 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.326 0.457 -4.551 1.00 0.00 H new ATOM 281 N PRO A 19 -8.819 -5.238 -6.832 1.00 0.00 N ATOM 282 CA PRO A 19 -7.917 -5.570 -7.936 1.00 0.00 C ATOM 283 C PRO A 19 -7.353 -4.320 -8.598 1.00 0.00 C ATOM 284 O PRO A 19 -8.082 -3.564 -9.246 1.00 0.00 O ATOM 285 CB PRO A 19 -8.804 -6.346 -8.913 1.00 0.00 C ATOM 286 CG PRO A 19 -9.924 -6.865 -8.082 1.00 0.00 C ATOM 287 CD PRO A 19 -10.153 -5.835 -7.015 1.00 0.00 C ATOM 0 HA PRO A 19 -7.049 -6.138 -7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.170 -5.701 -9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.253 -7.159 -9.387 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.821 -7.012 -8.683 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.672 -7.831 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.888 -5.092 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.523 -6.285 -6.094 1.00 0.00 H new ATOM 295 N VAL A 20 -6.060 -4.107 -8.411 1.00 0.00 N ATOM 296 CA VAL A 20 -5.390 -2.923 -8.923 1.00 0.00 C ATOM 297 C VAL A 20 -5.098 -3.058 -10.415 1.00 0.00 C ATOM 298 O VAL A 20 -5.083 -4.171 -10.950 1.00 0.00 O ATOM 299 CB VAL A 20 -4.071 -2.658 -8.163 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.356 -2.281 -6.719 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.157 -3.874 -8.229 1.00 0.00 C ATOM 0 H VAL A 20 -5.449 -4.746 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.063 -2.080 -8.769 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.561 -1.823 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.416 -2.098 -6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.967 -1.379 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.889 -3.095 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.234 -3.665 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.657 -4.730 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.924 -4.098 -9.270 1.00 0.00 H new ATOM 311 N PRO A 21 -4.893 -1.924 -11.110 1.00 0.00 N ATOM 312 CA PRO A 21 -4.554 -1.924 -12.534 1.00 0.00 C ATOM 313 C PRO A 21 -3.315 -2.762 -12.824 1.00 0.00 C ATOM 314 O PRO A 21 -2.298 -2.649 -12.137 1.00 0.00 O ATOM 315 CB PRO A 21 -4.290 -0.451 -12.852 1.00 0.00 C ATOM 316 CG PRO A 21 -5.005 0.310 -11.791 1.00 0.00 C ATOM 317 CD PRO A 21 -4.982 -0.558 -10.564 1.00 0.00 C ATOM 0 HA PRO A 21 -5.349 -2.359 -13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.222 -0.231 -12.843 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.661 -0.189 -13.843 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.516 1.266 -11.601 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.029 0.530 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.131 -0.325 -9.924 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.880 -0.425 -9.961 1.00 0.00 H new ATOM 325 N LYS A 22 -3.406 -3.592 -13.848 1.00 0.00 N ATOM 326 CA LYS A 22 -2.339 -4.523 -14.176 1.00 0.00 C ATOM 327 C LYS A 22 -1.355 -3.879 -15.144 1.00 0.00 C ATOM 328 O LYS A 22 -0.247 -4.372 -15.349 1.00 0.00 O ATOM 329 CB LYS A 22 -2.938 -5.807 -14.751 1.00 0.00 C ATOM 330 CG LYS A 22 -3.933 -6.455 -13.800 1.00 0.00 C ATOM 331 CD LYS A 22 -4.593 -7.689 -14.394 1.00 0.00 C ATOM 332 CE LYS A 22 -3.600 -8.816 -14.610 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.286 -10.090 -14.956 1.00 0.00 N ATOM 0 H LYS A 22 -4.213 -3.641 -14.470 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.787 -4.780 -13.272 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.434 -5.583 -15.695 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.137 -6.512 -14.971 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.422 -6.730 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.701 -5.729 -13.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.389 -8.029 -13.731 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.059 -7.429 -15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.909 -8.545 -15.409 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.005 -8.956 -13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.578 -10.839 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.927 -10.360 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.834 -9.963 -15.831 1.00 0.00 H new ATOM 347 N LYS A 23 -1.775 -2.771 -15.738 1.00 0.00 N ATOM 348 CA LYS A 23 -0.892 -1.949 -16.550 1.00 0.00 C ATOM 349 C LYS A 23 -0.987 -0.496 -16.102 1.00 0.00 C ATOM 350 O LYS A 23 -2.085 0.030 -15.912 1.00 0.00 O ATOM 351 CB LYS A 23 -1.241 -2.063 -18.038 1.00 0.00 C ATOM 352 CG LYS A 23 -0.866 -3.399 -18.664 1.00 0.00 C ATOM 353 CD LYS A 23 -1.200 -3.423 -20.149 1.00 0.00 C ATOM 354 CE LYS A 23 -0.689 -4.686 -20.831 1.00 0.00 C ATOM 355 NZ LYS A 23 0.792 -4.799 -20.758 1.00 0.00 N ATOM 0 H LYS A 23 -2.730 -2.419 -15.671 1.00 0.00 H new ATOM 0 HA LYS A 23 0.129 -2.306 -16.415 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.312 -1.904 -18.162 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.735 -1.265 -18.581 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.199 -3.583 -18.525 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.397 -4.204 -18.156 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.280 -3.353 -20.278 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.764 -2.549 -20.632 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.143 -5.560 -20.363 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.001 -4.686 -21.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.122 -5.492 -21.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.221 -3.873 -20.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.070 -5.111 -19.806 1.00 0.00 H new ATOM 369 N LEU A 24 0.160 0.141 -15.918 1.00 0.00 N ATOM 370 CA LEU A 24 0.201 1.527 -15.471 1.00 0.00 C ATOM 371 C LEU A 24 1.128 2.344 -16.357 1.00 0.00 C ATOM 372 O LEU A 24 2.072 1.808 -16.939 1.00 0.00 O ATOM 373 CB LEU A 24 0.672 1.620 -14.015 1.00 0.00 C ATOM 374 CG LEU A 24 -0.309 1.108 -12.961 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.290 1.259 -11.575 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.628 1.854 -13.048 1.00 0.00 C ATOM 0 H LEU A 24 1.076 -0.280 -16.071 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.810 1.929 -15.539 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.603 1.061 -13.918 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.901 2.662 -13.794 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.500 0.052 -13.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.417 0.891 -10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.214 0.684 -11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.504 2.311 -11.384 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.312 1.474 -12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.456 2.917 -12.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.065 1.707 -14.036 1.00 0.00 H new ATOM 388 N LYS A 25 0.850 3.635 -16.460 1.00 0.00 N ATOM 389 CA LYS A 25 1.674 4.541 -17.248 1.00 0.00 C ATOM 390 C LYS A 25 2.354 5.545 -16.326 1.00 0.00 C ATOM 391 O LYS A 25 2.023 5.626 -15.141 1.00 0.00 O ATOM 392 CB LYS A 25 0.820 5.296 -18.272 1.00 0.00 C ATOM 393 CG LYS A 25 -0.093 4.405 -19.099 1.00 0.00 C ATOM 394 CD LYS A 25 -0.836 5.203 -20.156 1.00 0.00 C ATOM 395 CE LYS A 25 -1.899 4.365 -20.845 1.00 0.00 C ATOM 396 NZ LYS A 25 -2.982 3.962 -19.907 1.00 0.00 N ATOM 0 H LYS A 25 0.054 4.082 -16.004 1.00 0.00 H new ATOM 0 HA LYS A 25 2.424 3.954 -17.778 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.212 6.034 -17.748 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.479 5.845 -18.944 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.496 3.623 -19.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.810 3.909 -18.445 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.301 6.074 -19.695 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.128 5.574 -20.897 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.327 4.931 -21.673 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.439 3.474 -21.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.813 3.651 -20.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.648 3.181 -19.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.242 4.772 -19.309 1.00 0.00 H new ATOM 410 N VAL A 26 3.289 6.314 -16.863 1.00 0.00 N ATOM 411 CA VAL A 26 3.928 7.371 -16.092 1.00 0.00 C ATOM 412 C VAL A 26 2.929 8.492 -15.830 1.00 0.00 C ATOM 413 O VAL A 26 2.446 9.139 -16.761 1.00 0.00 O ATOM 414 CB VAL A 26 5.172 7.940 -16.807 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.794 9.067 -15.995 1.00 0.00 C ATOM 416 CG2 VAL A 26 6.193 6.844 -17.060 1.00 0.00 C ATOM 0 H VAL A 26 3.621 6.228 -17.824 1.00 0.00 H new ATOM 0 HA VAL A 26 4.259 6.937 -15.149 1.00 0.00 H new ATOM 0 HB VAL A 26 4.854 8.345 -17.768 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.669 9.452 -16.518 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.066 9.868 -15.867 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.093 8.689 -15.017 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.062 7.266 -17.565 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.501 6.408 -16.110 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.749 6.071 -17.687 1.00 0.00 H new ATOM 426 N GLY A 27 2.599 8.691 -14.565 1.00 0.00 N ATOM 427 CA GLY A 27 1.620 9.691 -14.198 1.00 0.00 C ATOM 428 C GLY A 27 0.292 9.066 -13.830 1.00 0.00 C ATOM 429 O GLY A 27 -0.600 9.736 -13.308 1.00 0.00 O ATOM 0 H GLY A 27 2.995 8.174 -13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.993 10.274 -13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.479 10.384 -15.028 1.00 0.00 H new ATOM 433 N GLU A 28 0.159 7.775 -14.101 1.00 0.00 N ATOM 434 CA GLU A 28 -1.061 7.056 -13.774 1.00 0.00 C ATOM 435 C GLU A 28 -1.097 6.759 -12.279 1.00 0.00 C ATOM 436 O GLU A 28 -0.061 6.505 -11.665 1.00 0.00 O ATOM 437 CB GLU A 28 -1.156 5.756 -14.584 1.00 0.00 C ATOM 438 CG GLU A 28 -2.469 5.013 -14.397 1.00 0.00 C ATOM 439 CD GLU A 28 -3.671 5.838 -14.805 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.117 6.680 -14.000 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.176 5.644 -15.933 1.00 0.00 O ATOM 0 H GLU A 28 0.880 7.207 -14.545 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.918 7.678 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.027 5.987 -15.641 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.334 5.100 -14.299 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.448 4.094 -14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.571 4.722 -13.352 1.00 0.00 H new ATOM 448 N THR A 29 -2.280 6.809 -11.695 1.00 0.00 N ATOM 449 CA THR A 29 -2.425 6.596 -10.267 1.00 0.00 C ATOM 450 C THR A 29 -3.380 5.441 -9.976 1.00 0.00 C ATOM 451 O THR A 29 -4.520 5.423 -10.446 1.00 0.00 O ATOM 452 CB THR A 29 -2.912 7.880 -9.566 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.003 8.955 -9.851 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.008 7.686 -8.059 1.00 0.00 C ATOM 0 H THR A 29 -3.154 6.995 -12.187 1.00 0.00 H new ATOM 0 HA THR A 29 -1.443 6.336 -9.872 1.00 0.00 H new ATOM 0 HB THR A 29 -3.906 8.118 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.313 9.772 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.354 8.609 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.712 6.883 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.027 7.426 -7.662 1.00 0.00 H new ATOM 462 N ALA A 30 -2.896 4.469 -9.218 1.00 0.00 N ATOM 463 CA ALA A 30 -3.700 3.324 -8.829 1.00 0.00 C ATOM 464 C ALA A 30 -4.353 3.570 -7.476 1.00 0.00 C ATOM 465 O ALA A 30 -3.669 3.856 -6.491 1.00 0.00 O ATOM 466 CB ALA A 30 -2.846 2.064 -8.789 1.00 0.00 C ATOM 0 H ALA A 30 -1.942 4.452 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.486 3.183 -9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.464 1.215 -8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.422 1.880 -9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.040 2.193 -8.066 1.00 0.00 H new ATOM 472 N GLU A 31 -5.674 3.471 -7.441 1.00 0.00 N ATOM 473 CA GLU A 31 -6.430 3.665 -6.211 1.00 0.00 C ATOM 474 C GLU A 31 -6.566 2.328 -5.494 1.00 0.00 C ATOM 475 O GLU A 31 -7.382 1.486 -5.876 1.00 0.00 O ATOM 476 CB GLU A 31 -7.808 4.255 -6.538 1.00 0.00 C ATOM 477 CG GLU A 31 -8.429 5.082 -5.417 1.00 0.00 C ATOM 478 CD GLU A 31 -9.047 4.255 -4.306 1.00 0.00 C ATOM 479 OE1 GLU A 31 -8.339 3.922 -3.339 1.00 0.00 O ATOM 480 OE2 GLU A 31 -10.262 3.967 -4.391 1.00 0.00 O ATOM 0 H GLU A 31 -6.248 3.256 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.908 4.363 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.719 4.881 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.487 3.440 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.663 5.729 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.195 5.732 -5.841 1.00 0.00 H new ATOM 487 N ILE A 32 -5.742 2.117 -4.485 1.00 0.00 N ATOM 488 CA ILE A 32 -5.725 0.853 -3.780 1.00 0.00 C ATOM 489 C ILE A 32 -6.634 0.906 -2.559 1.00 0.00 C ATOM 490 O ILE A 32 -6.256 1.415 -1.502 1.00 0.00 O ATOM 491 CB ILE A 32 -4.294 0.470 -3.341 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.330 0.558 -4.531 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.279 -0.935 -2.748 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.885 0.292 -4.166 1.00 0.00 C ATOM 0 H ILE A 32 -5.076 2.806 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.091 0.092 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.965 1.173 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.641 -0.158 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.406 1.550 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.264 -1.191 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.938 -0.971 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.624 -1.649 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.264 0.372 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.556 1.023 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.794 -0.711 -3.749 1.00 0.00 H new ATOM 506 N ARG A 33 -7.835 0.379 -2.720 1.00 0.00 N ATOM 507 CA ARG A 33 -8.788 0.291 -1.628 1.00 0.00 C ATOM 508 C ARG A 33 -8.463 -0.902 -0.743 1.00 0.00 C ATOM 509 O ARG A 33 -8.502 -2.046 -1.198 1.00 0.00 O ATOM 510 CB ARG A 33 -10.209 0.160 -2.175 1.00 0.00 C ATOM 511 CG ARG A 33 -11.259 -0.082 -1.106 1.00 0.00 C ATOM 512 CD ARG A 33 -12.607 -0.425 -1.720 1.00 0.00 C ATOM 513 NE ARG A 33 -12.572 -1.681 -2.470 1.00 0.00 N ATOM 514 CZ ARG A 33 -12.505 -2.891 -1.914 1.00 0.00 C ATOM 515 NH1 ARG A 33 -12.485 -3.032 -0.593 1.00 0.00 N ATOM 516 NH2 ARG A 33 -12.483 -3.965 -2.683 1.00 0.00 N ATOM 0 H ARG A 33 -8.175 0.003 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.721 1.202 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.463 1.069 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.238 -0.661 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.937 -0.895 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.357 0.807 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.356 -0.496 -0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.918 0.383 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.601 -1.627 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.521 -2.209 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.434 -3.963 -0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.517 -3.867 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.432 -4.893 -2.262 1.00 0.00 H new ATOM 530 N CYS A 34 -8.140 -0.630 0.509 1.00 0.00 N ATOM 531 CA CYS A 34 -7.798 -1.680 1.449 1.00 0.00 C ATOM 532 C CYS A 34 -8.771 -1.688 2.624 1.00 0.00 C ATOM 533 O CYS A 34 -9.076 -0.640 3.199 1.00 0.00 O ATOM 534 CB CYS A 34 -6.372 -1.476 1.957 1.00 0.00 C ATOM 535 SG CYS A 34 -5.151 -1.229 0.646 1.00 0.00 S ATOM 0 H CYS A 34 -8.108 0.312 0.898 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.866 -2.640 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.355 -0.613 2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.082 -2.343 2.551 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.975 -1.063 1.174 1.00 0.00 H new ATOM 541 N GLN A 35 -9.276 -2.863 2.957 1.00 0.00 N ATOM 542 CA GLN A 35 -10.134 -3.019 4.120 1.00 0.00 C ATOM 543 C GLN A 35 -9.610 -4.168 4.975 1.00 0.00 C ATOM 544 O GLN A 35 -9.594 -5.322 4.542 1.00 0.00 O ATOM 545 CB GLN A 35 -11.585 -3.272 3.687 1.00 0.00 C ATOM 546 CG GLN A 35 -12.629 -2.801 4.697 1.00 0.00 C ATOM 547 CD GLN A 35 -12.667 -3.634 5.966 1.00 0.00 C ATOM 548 OE1 GLN A 35 -12.395 -4.830 5.944 1.00 0.00 O ATOM 549 NE2 GLN A 35 -12.997 -3.002 7.081 1.00 0.00 N ATOM 0 H GLN A 35 -9.107 -3.725 2.438 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.121 -2.102 4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.762 -2.769 2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.720 -4.339 3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.425 -1.763 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.613 -2.824 4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.216 -2.006 7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.032 -3.511 7.964 1.00 0.00 H new ATOM 558 N LEU A 36 -9.153 -3.841 6.171 1.00 0.00 N ATOM 559 CA LEU A 36 -8.565 -4.828 7.064 1.00 0.00 C ATOM 560 C LEU A 36 -9.641 -5.477 7.935 1.00 0.00 C ATOM 561 O LEU A 36 -10.297 -4.810 8.735 1.00 0.00 O ATOM 562 CB LEU A 36 -7.480 -4.159 7.918 1.00 0.00 C ATOM 563 CG LEU A 36 -6.631 -5.089 8.786 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.233 -4.516 8.940 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.259 -5.275 10.160 1.00 0.00 C ATOM 0 H LEU A 36 -9.178 -2.894 6.549 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.104 -5.621 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.814 -3.608 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.959 -3.427 8.568 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.578 -6.061 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.633 -5.183 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.770 -4.418 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.292 -3.536 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.636 -5.940 10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.339 -4.308 10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.253 -5.710 10.050 1.00 0.00 H new ATOM 577 N HIS A 37 -9.819 -6.779 7.764 1.00 0.00 N ATOM 578 CA HIS A 37 -10.816 -7.526 8.521 1.00 0.00 C ATOM 579 C HIS A 37 -10.214 -8.110 9.792 1.00 0.00 C ATOM 580 O HIS A 37 -9.345 -8.984 9.737 1.00 0.00 O ATOM 581 CB HIS A 37 -11.408 -8.657 7.673 1.00 0.00 C ATOM 582 CG HIS A 37 -12.351 -8.197 6.606 1.00 0.00 C ATOM 583 ND1 HIS A 37 -12.116 -8.377 5.260 1.00 0.00 N ATOM 584 CD2 HIS A 37 -13.551 -7.581 6.697 1.00 0.00 C ATOM 585 CE1 HIS A 37 -13.127 -7.887 4.572 1.00 0.00 C ATOM 586 NE2 HIS A 37 -14.012 -7.401 5.418 1.00 0.00 N ATOM 0 H HIS A 37 -9.283 -7.343 7.104 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.609 -6.829 8.793 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.593 -9.211 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.932 -9.352 8.330 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -14.053 -7.286 7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.215 -7.884 3.496 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -14.897 -6.962 5.163 1.00 0.00 H new ATOM 595 N ARG A 38 -10.673 -7.618 10.930 1.00 0.00 N ATOM 596 CA ARG A 38 -10.257 -8.145 12.220 1.00 0.00 C ATOM 597 C ARG A 38 -11.386 -7.961 13.221 1.00 0.00 C ATOM 598 O ARG A 38 -11.799 -6.832 13.489 1.00 0.00 O ATOM 599 CB ARG A 38 -8.995 -7.433 12.709 1.00 0.00 C ATOM 600 CG ARG A 38 -8.125 -8.285 13.621 1.00 0.00 C ATOM 601 CD ARG A 38 -6.903 -7.517 14.095 1.00 0.00 C ATOM 602 NE ARG A 38 -5.776 -8.403 14.400 1.00 0.00 N ATOM 603 CZ ARG A 38 -4.551 -7.969 14.706 1.00 0.00 C ATOM 604 NH1 ARG A 38 -4.327 -6.674 14.878 1.00 0.00 N ATOM 605 NH2 ARG A 38 -3.553 -8.828 14.859 1.00 0.00 N ATOM 0 H ARG A 38 -11.339 -6.848 10.987 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.029 -9.206 12.118 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.406 -7.123 11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.283 -6.526 13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.708 -8.612 14.482 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.809 -9.183 13.090 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.604 -6.803 13.327 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.160 -6.940 14.983 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.937 -9.410 14.377 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.091 -6.006 14.777 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.390 -6.345 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.718 -9.828 14.743 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.620 -8.489 15.093 1.00 0.00 H new ATOM 712 N THR A 45 -3.588 -0.816 19.125 1.00 0.00 N ATOM 713 CA THR A 45 -2.905 -1.562 18.091 1.00 0.00 C ATOM 714 C THR A 45 -2.753 -0.719 16.830 1.00 0.00 C ATOM 715 O THR A 45 -3.709 -0.526 16.081 1.00 0.00 O ATOM 716 CB THR A 45 -3.683 -2.850 17.763 1.00 0.00 C ATOM 717 OG1 THR A 45 -3.894 -3.605 18.965 1.00 0.00 O ATOM 718 CG2 THR A 45 -2.947 -3.703 16.744 1.00 0.00 C ATOM 0 HA THR A 45 -1.913 -1.825 18.459 1.00 0.00 H new ATOM 0 HB THR A 45 -4.642 -2.564 17.331 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.743 -4.556 18.784 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.526 -4.603 16.537 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.816 -3.136 15.822 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.971 -3.982 17.140 1.00 0.00 H new ATOM 726 N LYS A 46 -1.555 -0.200 16.617 1.00 0.00 N ATOM 727 CA LYS A 46 -1.268 0.572 15.421 1.00 0.00 C ATOM 728 C LYS A 46 -0.629 -0.331 14.382 1.00 0.00 C ATOM 729 O LYS A 46 0.158 -1.214 14.721 1.00 0.00 O ATOM 730 CB LYS A 46 -0.325 1.755 15.706 1.00 0.00 C ATOM 731 CG LYS A 46 -0.856 2.786 16.697 1.00 0.00 C ATOM 732 CD LYS A 46 -0.751 2.308 18.138 1.00 0.00 C ATOM 733 CE LYS A 46 0.677 1.933 18.504 1.00 0.00 C ATOM 734 NZ LYS A 46 0.778 1.403 19.887 1.00 0.00 N ATOM 0 H LYS A 46 -0.767 -0.300 17.257 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.212 0.976 15.055 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.619 1.363 16.085 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.106 2.259 14.765 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.299 3.716 16.583 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.898 3.007 16.465 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.104 3.092 18.808 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.402 1.446 18.284 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.046 1.186 17.802 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.318 2.809 18.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.768 1.160 20.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.450 2.125 20.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.187 0.552 19.977 1.00 0.00 H new ATOM 748 N TYR A 47 -0.979 -0.117 13.130 1.00 0.00 N ATOM 749 CA TYR A 47 -0.349 -0.834 12.038 1.00 0.00 C ATOM 750 C TYR A 47 0.734 0.034 11.426 1.00 0.00 C ATOM 751 O TYR A 47 0.565 1.245 11.301 1.00 0.00 O ATOM 752 CB TYR A 47 -1.376 -1.226 10.974 1.00 0.00 C ATOM 753 CG TYR A 47 -2.349 -2.290 11.430 1.00 0.00 C ATOM 754 CD1 TYR A 47 -2.058 -3.636 11.257 1.00 0.00 C ATOM 755 CD2 TYR A 47 -3.555 -1.951 12.030 1.00 0.00 C ATOM 756 CE1 TYR A 47 -2.940 -4.613 11.668 1.00 0.00 C ATOM 757 CE2 TYR A 47 -4.443 -2.925 12.445 1.00 0.00 C ATOM 758 CZ TYR A 47 -4.129 -4.254 12.261 1.00 0.00 C ATOM 759 OH TYR A 47 -5.004 -5.230 12.668 1.00 0.00 O ATOM 0 H TYR A 47 -1.697 0.548 12.842 1.00 0.00 H new ATOM 0 HA TYR A 47 0.094 -1.750 12.429 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.935 -0.339 10.677 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.850 -1.583 10.088 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.126 -3.923 10.793 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.803 -0.910 12.174 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.699 -5.656 11.525 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.377 -2.646 12.910 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.796 -4.813 13.068 1.00 0.00 H new ATOM 769 N PHE A 48 1.841 -0.580 11.056 1.00 0.00 N ATOM 770 CA PHE A 48 2.956 0.154 10.486 1.00 0.00 C ATOM 771 C PHE A 48 3.162 -0.255 9.039 1.00 0.00 C ATOM 772 O PHE A 48 3.322 -1.439 8.734 1.00 0.00 O ATOM 773 CB PHE A 48 4.232 -0.092 11.293 1.00 0.00 C ATOM 774 CG PHE A 48 4.130 0.343 12.728 1.00 0.00 C ATOM 775 CD1 PHE A 48 4.299 1.674 13.074 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.870 -0.580 13.729 1.00 0.00 C ATOM 777 CE1 PHE A 48 4.209 2.078 14.392 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.780 -0.182 15.048 1.00 0.00 C ATOM 779 CZ PHE A 48 3.950 1.148 15.380 1.00 0.00 C ATOM 0 H PHE A 48 1.993 -1.585 11.139 1.00 0.00 H new ATOM 0 HA PHE A 48 2.726 1.219 10.524 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.473 -1.154 11.260 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.059 0.437 10.820 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.503 2.404 12.305 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.736 -1.621 13.475 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.341 3.119 14.649 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.577 -0.910 15.820 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.880 1.461 16.411 1.00 0.00 H new ATOM 789 N ILE A 49 3.143 0.727 8.152 1.00 0.00 N ATOM 790 CA ILE A 49 3.256 0.466 6.731 1.00 0.00 C ATOM 791 C ILE A 49 4.626 0.876 6.196 1.00 0.00 C ATOM 792 O ILE A 49 5.115 1.980 6.456 1.00 0.00 O ATOM 793 CB ILE A 49 2.139 1.179 5.923 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.277 0.865 4.429 1.00 0.00 C ATOM 795 CG2 ILE A 49 2.163 2.686 6.161 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.196 1.487 3.569 1.00 0.00 C ATOM 0 H ILE A 49 3.050 1.713 8.394 1.00 0.00 H new ATOM 0 HA ILE A 49 3.138 -0.610 6.601 1.00 0.00 H new ATOM 0 HB ILE A 49 1.177 0.802 6.270 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.249 1.215 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.260 -0.216 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.369 3.158 5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.009 2.889 7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.127 3.088 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.362 1.219 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.221 1.118 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.226 2.571 3.675 1.00 0.00 H new ATOM 808 N ARG A 50 5.244 -0.043 5.476 1.00 0.00 N ATOM 809 CA ARG A 50 6.492 0.214 4.781 1.00 0.00 C ATOM 810 C ARG A 50 6.551 -0.681 3.558 1.00 0.00 C ATOM 811 O ARG A 50 6.126 -1.831 3.613 1.00 0.00 O ATOM 812 CB ARG A 50 7.693 -0.049 5.695 1.00 0.00 C ATOM 813 CG ARG A 50 9.031 0.280 5.054 1.00 0.00 C ATOM 814 CD ARG A 50 10.178 0.113 6.038 1.00 0.00 C ATOM 815 NE ARG A 50 10.341 -1.275 6.469 1.00 0.00 N ATOM 816 CZ ARG A 50 10.360 -1.663 7.743 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.177 -0.780 8.714 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.569 -2.937 8.042 1.00 0.00 N ATOM 0 H ARG A 50 4.892 -0.993 5.357 1.00 0.00 H new ATOM 0 HA ARG A 50 6.533 1.261 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.582 0.540 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.690 -1.098 5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.192 -0.369 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.015 1.305 4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.103 0.459 5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.001 0.743 6.909 1.00 0.00 H new ATOM 0 HE ARG A 50 10.447 -1.990 5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.021 0.202 8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.192 -1.082 9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.715 -3.618 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.584 -3.236 9.017 1.00 0.00 H new ATOM 832 N TYR A 51 7.049 -0.163 2.453 1.00 0.00 N ATOM 833 CA TYR A 51 7.076 -0.930 1.221 1.00 0.00 C ATOM 834 C TYR A 51 8.430 -0.819 0.546 1.00 0.00 C ATOM 835 O TYR A 51 9.072 0.229 0.591 1.00 0.00 O ATOM 836 CB TYR A 51 5.966 -0.469 0.268 1.00 0.00 C ATOM 837 CG TYR A 51 6.108 0.954 -0.227 1.00 0.00 C ATOM 838 CD1 TYR A 51 5.730 2.030 0.564 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.606 1.216 -1.497 1.00 0.00 C ATOM 840 CE1 TYR A 51 5.850 3.327 0.107 1.00 0.00 C ATOM 841 CE2 TYR A 51 6.725 2.510 -1.963 1.00 0.00 C ATOM 842 CZ TYR A 51 6.345 3.561 -1.157 1.00 0.00 C ATOM 843 OH TYR A 51 6.450 4.849 -1.622 1.00 0.00 O ATOM 0 H TYR A 51 7.438 0.777 2.381 1.00 0.00 H new ATOM 0 HA TYR A 51 6.902 -1.976 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.943 -1.138 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.006 -0.569 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.336 1.850 1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.905 0.394 -2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.557 4.154 0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.114 2.697 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 51 6.557 5.462 -0.865 1.00 0.00 H new ATOM 853 N PHE A 52 8.861 -1.904 -0.067 1.00 0.00 N ATOM 854 CA PHE A 52 10.117 -1.917 -0.790 1.00 0.00 C ATOM 855 C PHE A 52 9.842 -1.957 -2.284 1.00 0.00 C ATOM 856 O PHE A 52 9.028 -2.752 -2.756 1.00 0.00 O ATOM 857 CB PHE A 52 10.971 -3.118 -0.369 1.00 0.00 C ATOM 858 CG PHE A 52 12.357 -3.104 -0.953 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.360 -2.346 -0.370 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.657 -3.848 -2.084 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.633 -2.329 -0.902 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.929 -3.834 -2.620 1.00 0.00 C ATOM 863 CZ PHE A 52 14.918 -3.074 -2.028 1.00 0.00 C ATOM 0 H PHE A 52 8.358 -2.791 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 52 10.672 -1.010 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.044 -3.138 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.467 -4.036 -0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.143 -1.761 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.887 -4.445 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.405 -1.733 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.150 -4.417 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.914 -3.063 -2.446 1.00 0.00 H new ATOM 873 N GLN A 53 10.505 -1.088 -3.026 1.00 0.00 N ATOM 874 CA GLN A 53 10.318 -1.034 -4.463 1.00 0.00 C ATOM 875 C GLN A 53 11.622 -1.338 -5.196 1.00 0.00 C ATOM 876 O GLN A 53 12.523 -0.500 -5.261 1.00 0.00 O ATOM 877 CB GLN A 53 9.750 0.329 -4.887 1.00 0.00 C ATOM 878 CG GLN A 53 10.491 1.525 -4.302 1.00 0.00 C ATOM 879 CD GLN A 53 9.909 2.858 -4.744 1.00 0.00 C ATOM 880 OE1 GLN A 53 10.618 3.857 -4.841 1.00 0.00 O ATOM 881 NE2 GLN A 53 8.611 2.885 -5.007 1.00 0.00 N ATOM 0 H GLN A 53 11.175 -0.413 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 53 9.595 -1.801 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.774 0.398 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.703 0.383 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.464 1.466 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.539 1.476 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.054 2.035 -4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.168 3.756 -5.301 1.00 0.00 H new ATOM 890 N PRO A 54 11.749 -2.567 -5.725 1.00 0.00 N ATOM 891 CA PRO A 54 12.886 -2.959 -6.569 1.00 0.00 C ATOM 892 C PRO A 54 12.951 -2.122 -7.840 1.00 0.00 C ATOM 893 O PRO A 54 13.987 -2.051 -8.505 1.00 0.00 O ATOM 894 CB PRO A 54 12.598 -4.424 -6.913 1.00 0.00 C ATOM 895 CG PRO A 54 11.643 -4.885 -5.868 1.00 0.00 C ATOM 896 CD PRO A 54 10.814 -3.685 -5.516 1.00 0.00 C ATOM 0 HA PRO A 54 13.842 -2.814 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.168 -4.518 -7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.511 -5.019 -6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.018 -5.697 -6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.172 -5.265 -4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.934 -3.601 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.458 -3.727 -4.486 1.00 0.00 H new ATOM 904 N ASP A 55 11.824 -1.505 -8.179 1.00 0.00 N ATOM 905 CA ASP A 55 11.758 -0.583 -9.305 1.00 0.00 C ATOM 906 C ASP A 55 12.655 0.618 -9.054 1.00 0.00 C ATOM 907 O ASP A 55 13.728 0.745 -9.647 1.00 0.00 O ATOM 908 CB ASP A 55 10.322 -0.119 -9.547 1.00 0.00 C ATOM 909 CG ASP A 55 10.245 0.936 -10.630 1.00 0.00 C ATOM 910 OD1 ASP A 55 10.304 0.573 -11.819 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.145 2.135 -10.293 1.00 0.00 O ATOM 0 H ASP A 55 10.940 -1.628 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 55 12.105 -1.109 -10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.707 -0.974 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.909 0.280 -8.621 1.00 0.00 H new ATOM 916 N GLY A 56 12.210 1.485 -8.167 1.00 0.00 N ATOM 917 CA GLY A 56 13.012 2.625 -7.776 1.00 0.00 C ATOM 918 C GLY A 56 12.218 3.910 -7.691 1.00 0.00 C ATOM 919 O GLY A 56 12.588 4.819 -6.947 1.00 0.00 O ATOM 0 H GLY A 56 11.302 1.422 -7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.470 2.424 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.823 2.753 -8.492 1.00 0.00 H new ATOM 923 N ALA A 57 11.132 4.004 -8.443 1.00 0.00 N ATOM 924 CA ALA A 57 10.332 5.217 -8.445 1.00 0.00 C ATOM 925 C ALA A 57 8.862 4.916 -8.185 1.00 0.00 C ATOM 926 O ALA A 57 8.451 3.756 -8.118 1.00 0.00 O ATOM 927 CB ALA A 57 10.505 5.963 -9.761 1.00 0.00 C ATOM 0 H ALA A 57 10.788 3.263 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 57 10.685 5.853 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.900 6.869 -9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.554 6.229 -9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.186 5.325 -10.585 1.00 0.00 H new ATOM 933 N GLY A 58 8.077 5.968 -8.024 1.00 0.00 N ATOM 934 CA GLY A 58 6.660 5.815 -7.790 1.00 0.00 C ATOM 935 C GLY A 58 6.220 6.535 -6.536 1.00 0.00 C ATOM 936 O GLY A 58 6.791 6.331 -5.464 1.00 0.00 O ATOM 0 H GLY A 58 8.401 6.935 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.106 6.202 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.417 4.756 -7.706 1.00 0.00 H new ATOM 940 N THR A 59 5.216 7.386 -6.666 1.00 0.00 N ATOM 941 CA THR A 59 4.720 8.152 -5.535 1.00 0.00 C ATOM 942 C THR A 59 3.533 7.449 -4.888 1.00 0.00 C ATOM 943 O THR A 59 2.462 7.352 -5.484 1.00 0.00 O ATOM 944 CB THR A 59 4.285 9.563 -5.974 1.00 0.00 C ATOM 945 OG1 THR A 59 5.324 10.179 -6.741 1.00 0.00 O ATOM 946 CG2 THR A 59 3.966 10.433 -4.768 1.00 0.00 C ATOM 0 H THR A 59 4.728 7.564 -7.544 1.00 0.00 H new ATOM 0 HA THR A 59 5.533 8.234 -4.814 1.00 0.00 H new ATOM 0 HB THR A 59 3.387 9.466 -6.583 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.039 11.075 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.661 11.424 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.157 9.979 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.851 10.520 -4.138 1.00 0.00 H new ATOM 954 N LEU A 60 3.724 6.959 -3.676 1.00 0.00 N ATOM 955 CA LEU A 60 2.651 6.304 -2.948 1.00 0.00 C ATOM 956 C LEU A 60 2.164 7.208 -1.827 1.00 0.00 C ATOM 957 O LEU A 60 2.892 7.481 -0.871 1.00 0.00 O ATOM 958 CB LEU A 60 3.115 4.957 -2.381 1.00 0.00 C ATOM 959 CG LEU A 60 2.029 4.150 -1.659 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.885 3.831 -2.603 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.605 2.870 -1.079 1.00 0.00 C ATOM 0 H LEU A 60 4.611 7.002 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 60 1.829 6.114 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.513 4.354 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.936 5.135 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 60 1.645 4.757 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.124 3.258 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.448 4.759 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.259 3.246 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.817 2.314 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.020 2.261 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.392 3.116 -0.366 1.00 0.00 H new ATOM 973 N LYS A 61 0.946 7.699 -1.961 1.00 0.00 N ATOM 974 CA LYS A 61 0.372 8.575 -0.958 1.00 0.00 C ATOM 975 C LYS A 61 -0.838 7.928 -0.312 1.00 0.00 C ATOM 976 O LYS A 61 -1.596 7.212 -0.962 1.00 0.00 O ATOM 977 CB LYS A 61 -0.019 9.921 -1.571 1.00 0.00 C ATOM 978 CG LYS A 61 1.165 10.727 -2.080 1.00 0.00 C ATOM 979 CD LYS A 61 0.733 12.079 -2.625 1.00 0.00 C ATOM 980 CE LYS A 61 -0.127 11.936 -3.868 1.00 0.00 C ATOM 981 NZ LYS A 61 -0.534 13.256 -4.415 1.00 0.00 N ATOM 0 H LYS A 61 0.335 7.506 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 61 1.128 8.748 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.711 9.748 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.554 10.509 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.881 10.873 -1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.678 10.166 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.177 12.619 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.615 12.675 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.423 11.382 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.016 11.352 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.120 13.115 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.081 13.775 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.313 13.804 -4.667 1.00 0.00 H new ATOM 995 N MET A 62 -0.998 8.168 0.975 1.00 0.00 N ATOM 996 CA MET A 62 -2.154 7.686 1.704 1.00 0.00 C ATOM 997 C MET A 62 -3.357 8.562 1.365 1.00 0.00 C ATOM 998 O MET A 62 -3.189 9.708 0.948 1.00 0.00 O ATOM 999 CB MET A 62 -1.867 7.720 3.209 1.00 0.00 C ATOM 1000 CG MET A 62 -2.910 7.011 4.058 1.00 0.00 C ATOM 1001 SD MET A 62 -2.550 7.111 5.822 1.00 0.00 S ATOM 1002 CE MET A 62 -0.934 6.341 5.887 1.00 0.00 C ATOM 0 H MET A 62 -0.336 8.699 1.541 1.00 0.00 H new ATOM 0 HA MET A 62 -2.372 6.657 1.419 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.894 7.264 3.392 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.798 8.759 3.531 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.889 7.449 3.865 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.965 5.964 3.761 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.830 5.792 6.823 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.825 5.653 5.048 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.163 7.109 5.829 1.00 0.00 H new ATOM 1012 N SER A 63 -4.557 8.023 1.536 1.00 0.00 N ATOM 1013 CA SER A 63 -5.787 8.758 1.253 1.00 0.00 C ATOM 1014 C SER A 63 -5.838 10.080 2.023 1.00 0.00 C ATOM 1015 O SER A 63 -6.445 11.053 1.570 1.00 0.00 O ATOM 1016 CB SER A 63 -6.998 7.887 1.603 1.00 0.00 C ATOM 1017 OG SER A 63 -8.221 8.561 1.357 1.00 0.00 O ATOM 0 H SER A 63 -4.707 7.072 1.872 1.00 0.00 H new ATOM 0 HA SER A 63 -5.808 8.997 0.190 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.966 6.968 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.947 7.599 2.653 1.00 0.00 H new ATOM 0 HG SER A 63 -8.971 7.974 1.590 1.00 0.00 H new ATOM 1023 N ASP A 64 -5.174 10.118 3.172 1.00 0.00 N ATOM 1024 CA ASP A 64 -5.163 11.306 4.018 1.00 0.00 C ATOM 1025 C ASP A 64 -4.114 12.320 3.556 1.00 0.00 C ATOM 1026 O ASP A 64 -3.914 13.354 4.193 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.919 10.909 5.475 1.00 0.00 C ATOM 1028 CG ASP A 64 -6.071 10.108 6.049 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -6.139 8.885 5.800 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -6.930 10.702 6.737 1.00 0.00 O ATOM 0 H ASP A 64 -4.633 9.336 3.541 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.138 11.785 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.002 10.323 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.768 11.807 6.074 1.00 0.00 H new ATOM 1035 N GLY A 65 -3.444 12.019 2.447 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.506 12.962 1.858 1.00 0.00 C ATOM 1037 C GLY A 65 -1.070 12.715 2.280 1.00 0.00 C ATOM 1038 O GLY A 65 -0.154 13.387 1.806 1.00 0.00 O ATOM 0 H GLY A 65 -3.534 11.136 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.574 12.903 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.792 13.975 2.141 1.00 0.00 H new ATOM 1042 N THR A 66 -0.874 11.753 3.165 1.00 0.00 N ATOM 1043 CA THR A 66 0.452 11.428 3.667 1.00 0.00 C ATOM 1044 C THR A 66 1.293 10.734 2.598 1.00 0.00 C ATOM 1045 O THR A 66 0.950 9.642 2.141 1.00 0.00 O ATOM 1046 CB THR A 66 0.350 10.515 4.902 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.614 11.052 5.816 1.00 0.00 O ATOM 1048 CG2 THR A 66 1.699 10.378 5.596 1.00 0.00 C ATOM 0 H THR A 66 -1.622 11.179 3.554 1.00 0.00 H new ATOM 0 HA THR A 66 0.937 12.364 3.943 1.00 0.00 H new ATOM 0 HB THR A 66 0.035 9.525 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.680 10.470 6.601 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.597 9.728 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.422 9.948 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.044 11.361 5.917 1.00 0.00 H new ATOM 1056 N VAL A 67 2.381 11.375 2.191 1.00 0.00 N ATOM 1057 CA VAL A 67 3.298 10.779 1.231 1.00 0.00 C ATOM 1058 C VAL A 67 4.164 9.734 1.926 1.00 0.00 C ATOM 1059 O VAL A 67 4.802 10.020 2.940 1.00 0.00 O ATOM 1060 CB VAL A 67 4.203 11.838 0.561 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.175 11.186 -0.412 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.363 12.885 -0.153 1.00 0.00 C ATOM 0 H VAL A 67 2.649 12.306 2.511 1.00 0.00 H new ATOM 0 HA VAL A 67 2.699 10.310 0.450 1.00 0.00 H new ATOM 0 HB VAL A 67 4.781 12.330 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.800 11.952 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.805 10.476 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.617 10.662 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.018 13.622 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.756 12.404 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.712 13.382 0.566 1.00 0.00 H new ATOM 1072 N LEU A 68 4.173 8.527 1.385 1.00 0.00 N ATOM 1073 CA LEU A 68 4.881 7.420 2.003 1.00 0.00 C ATOM 1074 C LEU A 68 6.206 7.160 1.295 1.00 0.00 C ATOM 1075 O LEU A 68 6.239 6.868 0.101 1.00 0.00 O ATOM 1076 CB LEU A 68 4.011 6.159 1.971 1.00 0.00 C ATOM 1077 CG LEU A 68 2.590 6.334 2.517 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.801 5.044 2.365 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.624 6.773 3.973 1.00 0.00 C ATOM 0 H LEU A 68 3.696 8.289 0.516 1.00 0.00 H new ATOM 0 HA LEU A 68 5.093 7.683 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.947 5.807 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.510 5.378 2.544 1.00 0.00 H new ATOM 0 HG LEU A 68 2.093 7.113 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.794 5.185 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.745 4.774 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.298 4.247 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.605 6.891 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.140 6.019 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.152 7.723 4.054 1.00 0.00 H new ATOM 1091 N LEU A 69 7.297 7.293 2.031 1.00 0.00 N ATOM 1092 CA LEU A 69 8.614 6.974 1.504 1.00 0.00 C ATOM 1093 C LEU A 69 8.966 5.525 1.828 1.00 0.00 C ATOM 1094 O LEU A 69 8.770 5.073 2.955 1.00 0.00 O ATOM 1095 CB LEU A 69 9.686 7.920 2.067 1.00 0.00 C ATOM 1096 CG LEU A 69 9.694 9.345 1.492 1.00 0.00 C ATOM 1097 CD1 LEU A 69 9.752 9.310 -0.027 1.00 0.00 C ATOM 1098 CD2 LEU A 69 8.483 10.136 1.963 1.00 0.00 C ATOM 0 H LEU A 69 7.297 7.620 2.997 1.00 0.00 H new ATOM 0 HA LEU A 69 8.588 7.106 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.554 7.986 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.665 7.473 1.892 1.00 0.00 H new ATOM 0 HG LEU A 69 10.587 9.849 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.757 10.329 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.660 8.797 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.881 8.779 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.517 11.140 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.572 9.635 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.491 10.201 3.051 1.00 0.00 H new ATOM 1110 N PRO A 70 9.486 4.781 0.838 1.00 0.00 N ATOM 1111 CA PRO A 70 9.803 3.349 0.986 1.00 0.00 C ATOM 1112 C PRO A 70 10.784 3.058 2.123 1.00 0.00 C ATOM 1113 O PRO A 70 10.705 2.018 2.777 1.00 0.00 O ATOM 1114 CB PRO A 70 10.442 2.982 -0.358 1.00 0.00 C ATOM 1115 CG PRO A 70 9.959 4.016 -1.314 1.00 0.00 C ATOM 1116 CD PRO A 70 9.798 5.276 -0.515 1.00 0.00 C ATOM 0 HA PRO A 70 8.910 2.775 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.530 2.985 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.145 1.982 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.671 4.158 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.013 3.718 -1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.707 5.877 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.998 5.903 -0.909 1.00 0.00 H new ATOM 1124 N ASN A 71 11.706 3.982 2.350 1.00 0.00 N ATOM 1125 CA ASN A 71 12.745 3.804 3.362 1.00 0.00 C ATOM 1126 C ASN A 71 12.256 4.244 4.745 1.00 0.00 C ATOM 1127 O ASN A 71 12.920 4.007 5.757 1.00 0.00 O ATOM 1128 CB ASN A 71 14.001 4.591 2.953 1.00 0.00 C ATOM 1129 CG ASN A 71 15.186 4.363 3.877 1.00 0.00 C ATOM 1130 OD1 ASN A 71 15.398 5.107 4.835 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.978 3.344 3.584 1.00 0.00 N ATOM 0 H ASN A 71 11.758 4.867 1.846 1.00 0.00 H new ATOM 0 HA ASN A 71 12.991 2.744 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.282 4.310 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.764 5.655 2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.797 3.153 4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.769 2.750 2.782 1.00 0.00 H new ATOM 1138 N ASP A 72 11.078 4.851 4.790 1.00 0.00 N ATOM 1139 CA ASP A 72 10.541 5.387 6.037 1.00 0.00 C ATOM 1140 C ASP A 72 9.525 4.406 6.631 1.00 0.00 C ATOM 1141 O ASP A 72 9.372 3.290 6.134 1.00 0.00 O ATOM 1142 CB ASP A 72 9.891 6.753 5.776 1.00 0.00 C ATOM 1143 CG ASP A 72 9.875 7.651 7.000 1.00 0.00 C ATOM 1144 OD1 ASP A 72 9.018 7.454 7.884 1.00 0.00 O ATOM 1145 OD2 ASP A 72 10.716 8.572 7.075 1.00 0.00 O ATOM 0 H ASP A 72 10.475 4.985 3.979 1.00 0.00 H new ATOM 0 HA ASP A 72 11.351 5.520 6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.428 7.256 4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.868 6.602 5.431 1.00 0.00 H new ATOM 1150 N LEU A 73 8.833 4.815 7.685 1.00 0.00 N ATOM 1151 CA LEU A 73 7.861 3.956 8.349 1.00 0.00 C ATOM 1152 C LEU A 73 6.733 4.798 8.932 1.00 0.00 C ATOM 1153 O LEU A 73 6.960 5.632 9.812 1.00 0.00 O ATOM 1154 CB LEU A 73 8.534 3.140 9.458 1.00 0.00 C ATOM 1155 CG LEU A 73 7.622 2.146 10.183 1.00 0.00 C ATOM 1156 CD1 LEU A 73 7.131 1.071 9.228 1.00 0.00 C ATOM 1157 CD2 LEU A 73 8.350 1.520 11.361 1.00 0.00 C ATOM 0 H LEU A 73 8.927 5.742 8.101 1.00 0.00 H new ATOM 0 HA LEU A 73 7.447 3.266 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.371 2.592 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.950 3.829 10.193 1.00 0.00 H new ATOM 0 HG LEU A 73 6.755 2.689 10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.485 0.376 9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.571 1.534 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.985 0.531 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.688 0.816 11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.235 0.994 11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.650 2.301 12.060 1.00 0.00 H new ATOM 1169 N TYR A 74 5.524 4.583 8.441 1.00 0.00 N ATOM 1170 CA TYR A 74 4.383 5.382 8.865 1.00 0.00 C ATOM 1171 C TYR A 74 3.313 4.504 9.503 1.00 0.00 C ATOM 1172 O TYR A 74 3.141 3.348 9.115 1.00 0.00 O ATOM 1173 CB TYR A 74 3.793 6.141 7.672 1.00 0.00 C ATOM 1174 CG TYR A 74 4.778 7.063 6.989 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.625 6.588 5.995 1.00 0.00 C ATOM 1176 CD2 TYR A 74 4.864 8.404 7.339 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.529 7.420 5.372 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.768 9.244 6.717 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.597 8.746 5.735 1.00 0.00 C ATOM 1180 OH TYR A 74 7.503 9.575 5.115 1.00 0.00 O ATOM 0 H TYR A 74 5.306 3.865 7.751 1.00 0.00 H new ATOM 0 HA TYR A 74 4.729 6.100 9.608 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.418 5.421 6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.938 6.725 8.012 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.574 5.549 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.215 8.796 8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.181 7.034 4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.825 10.285 6.999 1.00 0.00 H new ATOM 0 HH TYR A 74 7.424 10.480 5.484 1.00 0.00 H new ATOM 1190 N PRO A 75 2.603 5.030 10.509 1.00 0.00 N ATOM 1191 CA PRO A 75 1.485 4.337 11.135 1.00 0.00 C ATOM 1192 C PRO A 75 0.194 4.510 10.337 1.00 0.00 C ATOM 1193 O PRO A 75 -0.072 5.582 9.792 1.00 0.00 O ATOM 1194 CB PRO A 75 1.354 5.012 12.510 1.00 0.00 C ATOM 1195 CG PRO A 75 2.408 6.080 12.559 1.00 0.00 C ATOM 1196 CD PRO A 75 2.836 6.330 11.141 1.00 0.00 C ATOM 0 HA PRO A 75 1.655 3.262 11.195 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.360 5.441 12.639 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.496 4.289 13.313 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.015 6.991 13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.254 5.761 13.168 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.249 7.120 10.673 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.882 6.630 11.079 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.595 3.452 10.260 1.00 0.00 N ATOM 1205 CA LEU A 76 -1.875 3.504 9.566 1.00 0.00 C ATOM 1206 C LEU A 76 -2.950 4.110 10.463 1.00 0.00 C ATOM 1207 O LEU A 76 -2.937 3.915 11.683 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.294 2.104 9.108 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.429 1.499 7.999 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.880 0.084 7.679 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.487 2.365 6.751 1.00 0.00 C ATOM 0 H LEU A 76 -0.373 2.544 10.669 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.761 4.139 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.274 1.436 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.326 2.146 8.761 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.398 1.461 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.253 -0.328 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.793 -0.536 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.918 0.099 7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.867 1.922 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.517 2.431 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.118 3.364 6.984 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.893 4.862 9.871 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.956 5.533 10.621 1.00 0.00 C ATOM 1225 C PRO A 77 -6.067 4.582 11.058 1.00 0.00 C ATOM 1226 O PRO A 77 -6.934 4.951 11.853 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.487 6.562 9.625 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.239 5.956 8.288 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.983 5.136 8.421 1.00 0.00 C ATOM 0 HA PRO A 77 -4.586 5.965 11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.548 6.754 9.782 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.971 7.517 9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.079 5.333 7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.121 6.728 7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.044 4.214 7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.110 5.681 8.062 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.044 3.361 10.542 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.049 2.389 10.912 1.00 0.00 C ATOM 1239 C GLY A 78 -7.133 1.239 9.933 1.00 0.00 C ATOM 1240 O GLY A 78 -6.233 1.047 9.115 1.00 0.00 O ATOM 0 H GLY A 78 -5.348 3.028 9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.825 2.000 11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.020 2.881 10.974 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.221 0.486 10.021 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.438 -0.685 9.181 1.00 0.00 C ATOM 1246 C GLU A 79 -8.908 -0.268 7.793 1.00 0.00 C ATOM 1247 O GLU A 79 -8.635 -0.946 6.801 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.483 -1.618 9.807 1.00 0.00 C ATOM 1249 CG GLU A 79 -9.565 -1.543 11.325 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.495 -0.442 11.800 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -10.061 0.728 11.880 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -11.668 -0.738 12.088 1.00 0.00 O ATOM 0 H GLU A 79 -8.979 0.670 10.678 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.489 -1.215 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.461 -1.379 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.256 -2.644 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.910 -2.500 11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.568 -1.374 11.732 1.00 0.00 H new ATOM 1259 N THR A 80 -9.633 0.840 7.729 1.00 0.00 N ATOM 1260 CA THR A 80 -10.105 1.359 6.459 1.00 0.00 C ATOM 1261 C THR A 80 -9.160 2.432 5.937 1.00 0.00 C ATOM 1262 O THR A 80 -9.207 3.584 6.371 1.00 0.00 O ATOM 1263 CB THR A 80 -11.537 1.925 6.568 1.00 0.00 C ATOM 1264 OG1 THR A 80 -11.653 2.780 7.716 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.557 0.799 6.663 1.00 0.00 C ATOM 0 H THR A 80 -9.905 1.394 8.541 1.00 0.00 H new ATOM 0 HA THR A 80 -10.127 0.526 5.756 1.00 0.00 H new ATOM 0 HB THR A 80 -11.738 2.506 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.883 3.385 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.559 1.221 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.493 0.174 5.772 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.350 0.194 7.546 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.280 2.041 5.030 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.318 2.969 4.465 1.00 0.00 C ATOM 1275 C PHE A 81 -7.184 2.745 2.968 1.00 0.00 C ATOM 1276 O PHE A 81 -7.436 1.649 2.466 1.00 0.00 O ATOM 1277 CB PHE A 81 -5.954 2.838 5.161 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.323 1.477 5.053 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.709 0.449 5.897 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.340 1.231 4.109 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.127 -0.799 5.802 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.753 -0.015 4.011 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.148 -1.031 4.857 1.00 0.00 C ATOM 0 H PHE A 81 -8.213 1.089 4.671 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.682 3.983 4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.272 3.575 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.074 3.086 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.474 0.626 6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.029 2.022 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.437 -1.592 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.985 -0.194 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.692 -2.007 4.780 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.810 3.792 2.259 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.652 3.719 0.817 1.00 0.00 C ATOM 1295 C ARG A 82 -5.302 4.283 0.408 1.00 0.00 C ATOM 1296 O ARG A 82 -4.819 5.248 1.005 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.783 4.473 0.116 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.139 3.806 0.276 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.255 4.654 -0.305 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.488 5.869 0.478 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.361 6.818 0.139 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -12.102 6.681 -0.951 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -11.509 7.893 0.904 1.00 0.00 N ATOM 0 H ARG A 82 -6.609 4.708 2.659 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.698 2.673 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.835 5.487 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.551 4.558 -0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.127 2.834 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.333 3.625 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.006 4.926 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.173 4.067 -0.345 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.950 5.997 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.005 5.848 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.769 7.408 -1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.954 7.995 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.178 8.617 0.642 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.693 3.671 -0.595 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.373 4.075 -1.049 1.00 0.00 C ATOM 1319 C LEU A 83 -3.416 4.513 -2.506 1.00 0.00 C ATOM 1320 O LEU A 83 -3.939 3.804 -3.363 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.381 2.922 -0.882 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.196 2.419 0.553 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.268 1.213 0.576 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.655 3.529 1.444 1.00 0.00 C ATOM 0 H LEU A 83 -5.095 2.889 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.046 4.919 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.711 2.088 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.412 3.240 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.168 2.114 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.146 0.867 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.696 0.413 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.296 1.494 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.530 3.152 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.692 3.866 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.355 4.364 1.450 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.872 5.682 -2.780 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.837 6.207 -4.133 1.00 0.00 C ATOM 1338 C TYR A 84 -1.420 6.138 -4.680 1.00 0.00 C ATOM 1339 O TYR A 84 -0.558 6.933 -4.300 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.354 7.649 -4.162 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.806 7.779 -3.751 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.167 7.864 -2.412 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.816 7.798 -4.704 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.491 7.970 -2.036 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -7.142 7.904 -4.333 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.473 7.985 -2.998 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.795 8.083 -2.624 1.00 0.00 O ATOM 0 H TYR A 84 -2.446 6.290 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.486 5.599 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.741 8.260 -3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.232 8.050 -5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.399 7.847 -1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.561 7.729 -5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.754 8.041 -0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.916 7.923 -5.086 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.362 8.081 -3.423 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.176 5.168 -5.550 1.00 0.00 N ATOM 1358 CA TYR A 85 0.152 4.972 -6.115 1.00 0.00 C ATOM 1359 C TYR A 85 0.254 5.561 -7.516 1.00 0.00 C ATOM 1360 O TYR A 85 -0.373 5.073 -8.455 1.00 0.00 O ATOM 1361 CB TYR A 85 0.517 3.484 -6.151 1.00 0.00 C ATOM 1362 CG TYR A 85 1.843 3.212 -6.830 1.00 0.00 C ATOM 1363 CD1 TYR A 85 3.038 3.622 -6.251 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.896 2.561 -8.056 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.249 3.392 -6.876 1.00 0.00 C ATOM 1366 CE2 TYR A 85 3.102 2.324 -8.685 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.276 2.744 -8.093 1.00 0.00 C ATOM 1368 OH TYR A 85 5.478 2.519 -8.724 1.00 0.00 O ATOM 0 H TYR A 85 -1.878 4.506 -5.879 1.00 0.00 H new ATOM 0 HA TYR A 85 0.857 5.495 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.553 3.100 -5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.269 2.936 -6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.020 4.128 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.979 2.235 -8.525 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.169 3.718 -6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.127 1.812 -9.636 1.00 0.00 H new ATOM 0 HH TYR A 85 6.186 2.419 -8.054 1.00 0.00 H new ATOM 1378 N THR A 86 1.046 6.608 -7.644 1.00 0.00 N ATOM 1379 CA THR A 86 1.330 7.204 -8.936 1.00 0.00 C ATOM 1380 C THR A 86 2.610 6.604 -9.515 1.00 0.00 C ATOM 1381 O THR A 86 3.708 6.862 -9.013 1.00 0.00 O ATOM 1382 CB THR A 86 1.489 8.733 -8.820 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.375 9.291 -8.104 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.583 9.375 -10.197 1.00 0.00 C ATOM 0 H THR A 86 1.509 7.068 -6.860 1.00 0.00 H new ATOM 0 HA THR A 86 0.490 6.992 -9.597 1.00 0.00 H new ATOM 0 HB THR A 86 2.411 8.938 -8.276 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.438 9.204 -8.645 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.695 10.454 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.446 8.972 -10.728 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.676 9.159 -10.762 1.00 0.00 H new ATOM 1392 N SER A 87 2.466 5.785 -10.546 1.00 0.00 N ATOM 1393 CA SER A 87 3.608 5.150 -11.183 1.00 0.00 C ATOM 1394 C SER A 87 4.412 6.171 -11.981 1.00 0.00 C ATOM 1395 O SER A 87 3.867 6.888 -12.823 1.00 0.00 O ATOM 1396 CB SER A 87 3.135 4.004 -12.077 1.00 0.00 C ATOM 1397 OG SER A 87 1.938 4.347 -12.752 1.00 0.00 O ATOM 0 H SER A 87 1.565 5.544 -10.960 1.00 0.00 H new ATOM 0 HA SER A 87 4.261 4.740 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.910 3.762 -12.804 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.973 3.111 -11.474 1.00 0.00 H new ATOM 0 HG SER A 87 2.154 4.844 -13.569 1.00 0.00 H new ATOM 1403 N ALA A 88 5.707 6.242 -11.703 1.00 0.00 N ATOM 1404 CA ALA A 88 6.568 7.235 -12.329 1.00 0.00 C ATOM 1405 C ALA A 88 7.706 6.575 -13.101 1.00 0.00 C ATOM 1406 O ALA A 88 8.727 7.209 -13.391 1.00 0.00 O ATOM 1407 CB ALA A 88 7.117 8.177 -11.270 1.00 0.00 C ATOM 0 H ALA A 88 6.184 5.623 -11.048 1.00 0.00 H new ATOM 0 HA ALA A 88 5.974 7.805 -13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.761 8.919 -11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.291 8.680 -10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.693 7.608 -10.540 1.00 0.00 H new ATOM 1413 N SER A 89 7.516 5.311 -13.448 1.00 0.00 N ATOM 1414 CA SER A 89 8.521 4.558 -14.180 1.00 0.00 C ATOM 1415 C SER A 89 7.911 3.924 -15.427 1.00 0.00 C ATOM 1416 O SER A 89 6.706 3.672 -15.480 1.00 0.00 O ATOM 1417 CB SER A 89 9.119 3.473 -13.284 1.00 0.00 C ATOM 1418 OG SER A 89 9.615 4.020 -12.076 1.00 0.00 O ATOM 0 H SER A 89 6.670 4.784 -13.233 1.00 0.00 H new ATOM 0 HA SER A 89 9.311 5.243 -14.488 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.360 2.723 -13.062 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.925 2.964 -13.813 1.00 0.00 H new ATOM 0 HG SER A 89 9.528 3.359 -11.358 1.00 0.00 H new ATOM 1424 N THR A 90 8.741 3.688 -16.433 1.00 0.00 N ATOM 1425 CA THR A 90 8.303 3.034 -17.657 1.00 0.00 C ATOM 1426 C THR A 90 8.641 1.545 -17.637 1.00 0.00 C ATOM 1427 O THR A 90 8.522 0.854 -18.647 1.00 0.00 O ATOM 1428 CB THR A 90 8.944 3.695 -18.892 1.00 0.00 C ATOM 1429 OG1 THR A 90 10.285 4.106 -18.588 1.00 0.00 O ATOM 1430 CG2 THR A 90 8.133 4.897 -19.352 1.00 0.00 C ATOM 0 H THR A 90 9.729 3.942 -16.424 1.00 0.00 H new ATOM 0 HA THR A 90 7.220 3.145 -17.718 1.00 0.00 H new ATOM 0 HB THR A 90 8.961 2.961 -19.698 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.686 4.524 -19.379 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.608 5.344 -20.225 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.124 4.577 -19.612 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.085 5.632 -18.549 1.00 0.00 H new ATOM 1438 N ASP A 91 9.047 1.062 -16.474 1.00 0.00 N ATOM 1439 CA ASP A 91 9.408 -0.338 -16.294 1.00 0.00 C ATOM 1440 C ASP A 91 8.232 -1.123 -15.734 1.00 0.00 C ATOM 1441 O ASP A 91 7.083 -0.680 -15.802 1.00 0.00 O ATOM 1442 CB ASP A 91 10.595 -0.457 -15.331 1.00 0.00 C ATOM 1443 CG ASP A 91 11.938 -0.454 -16.030 1.00 0.00 C ATOM 1444 OD1 ASP A 91 12.465 0.639 -16.321 1.00 0.00 O ATOM 1445 OD2 ASP A 91 12.484 -1.550 -16.273 1.00 0.00 O ATOM 0 H ASP A 91 9.136 1.626 -15.629 1.00 0.00 H new ATOM 0 HA ASP A 91 9.683 -0.747 -17.266 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.561 0.369 -14.621 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.495 -1.377 -14.755 1.00 0.00 H new ATOM 1450 N GLN A 92 8.520 -2.303 -15.211 1.00 0.00 N ATOM 1451 CA GLN A 92 7.547 -3.050 -14.442 1.00 0.00 C ATOM 1452 C GLN A 92 7.597 -2.559 -13.002 1.00 0.00 C ATOM 1453 O GLN A 92 8.597 -2.758 -12.310 1.00 0.00 O ATOM 1454 CB GLN A 92 7.859 -4.548 -14.488 1.00 0.00 C ATOM 1455 CG GLN A 92 6.786 -5.417 -13.852 1.00 0.00 C ATOM 1456 CD GLN A 92 7.272 -6.820 -13.550 1.00 0.00 C ATOM 1457 OE1 GLN A 92 7.207 -7.711 -14.396 1.00 0.00 O ATOM 1458 NE2 GLN A 92 7.754 -7.028 -12.333 1.00 0.00 N ATOM 0 H GLN A 92 9.425 -2.763 -15.307 1.00 0.00 H new ATOM 0 HA GLN A 92 6.553 -2.897 -14.863 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.990 -4.851 -15.527 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.807 -4.728 -13.981 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.445 -4.949 -12.929 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.925 -5.471 -14.519 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.790 -6.262 -11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.089 -7.955 -12.068 1.00 0.00 H new ATOM 1467 N GLN A 93 6.534 -1.928 -12.542 1.00 0.00 N ATOM 1468 CA GLN A 93 6.540 -1.348 -11.212 1.00 0.00 C ATOM 1469 C GLN A 93 6.272 -2.430 -10.185 1.00 0.00 C ATOM 1470 O GLN A 93 5.172 -2.956 -10.089 1.00 0.00 O ATOM 1471 CB GLN A 93 5.491 -0.235 -11.084 1.00 0.00 C ATOM 1472 CG GLN A 93 5.917 1.117 -11.648 1.00 0.00 C ATOM 1473 CD GLN A 93 6.269 1.075 -13.121 1.00 0.00 C ATOM 1474 OE1 GLN A 93 7.423 0.883 -13.488 1.00 0.00 O ATOM 1475 NE2 GLN A 93 5.274 1.247 -13.976 1.00 0.00 N ATOM 0 H GLN A 93 5.665 -1.804 -13.062 1.00 0.00 H new ATOM 0 HA GLN A 93 7.521 -0.907 -11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.581 -0.554 -11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.241 -0.110 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.111 1.835 -11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.778 1.480 -11.087 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.327 1.404 -13.631 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.454 1.222 -14.980 1.00 0.00 H new ATOM 1484 N THR A 94 7.288 -2.758 -9.420 1.00 0.00 N ATOM 1485 CA THR A 94 7.179 -3.803 -8.432 1.00 0.00 C ATOM 1486 C THR A 94 7.197 -3.197 -7.038 1.00 0.00 C ATOM 1487 O THR A 94 8.209 -2.649 -6.601 1.00 0.00 O ATOM 1488 CB THR A 94 8.325 -4.819 -8.590 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.427 -5.209 -9.968 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.083 -6.049 -7.731 1.00 0.00 C ATOM 0 H THR A 94 8.204 -2.312 -9.465 1.00 0.00 H new ATOM 0 HA THR A 94 6.235 -4.329 -8.579 1.00 0.00 H new ATOM 0 HB THR A 94 9.253 -4.349 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.157 -5.855 -10.072 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.907 -6.751 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.019 -5.754 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.150 -6.525 -8.032 1.00 0.00 H new ATOM 1498 N VAL A 95 6.063 -3.263 -6.363 1.00 0.00 N ATOM 1499 CA VAL A 95 5.927 -2.679 -5.042 1.00 0.00 C ATOM 1500 C VAL A 95 5.548 -3.749 -4.031 1.00 0.00 C ATOM 1501 O VAL A 95 4.432 -4.269 -4.052 1.00 0.00 O ATOM 1502 CB VAL A 95 4.863 -1.560 -5.022 1.00 0.00 C ATOM 1503 CG1 VAL A 95 4.760 -0.939 -3.638 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.177 -0.495 -6.063 1.00 0.00 C ATOM 0 H VAL A 95 5.219 -3.718 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 95 6.890 -2.243 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 95 3.900 -2.006 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.005 -0.153 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.478 -1.705 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.723 -0.513 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.414 0.282 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.152 -0.056 -5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.191 -0.948 -7.054 1.00 0.00 H new ATOM 1514 N ASP A 96 6.484 -4.093 -3.166 1.00 0.00 N ATOM 1515 CA ASP A 96 6.230 -5.081 -2.131 1.00 0.00 C ATOM 1516 C ASP A 96 5.887 -4.366 -0.833 1.00 0.00 C ATOM 1517 O ASP A 96 6.747 -3.729 -0.220 1.00 0.00 O ATOM 1518 CB ASP A 96 7.462 -5.971 -1.951 1.00 0.00 C ATOM 1519 CG ASP A 96 7.189 -7.210 -1.120 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.011 -7.574 -0.945 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.167 -7.843 -0.662 1.00 0.00 O ATOM 0 H ASP A 96 7.427 -3.704 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 96 5.390 -5.714 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.830 -6.273 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.255 -5.392 -1.478 1.00 0.00 H new ATOM 1526 N VAL A 97 4.632 -4.466 -0.425 1.00 0.00 N ATOM 1527 CA VAL A 97 4.135 -3.701 0.710 1.00 0.00 C ATOM 1528 C VAL A 97 4.067 -4.561 1.965 1.00 0.00 C ATOM 1529 O VAL A 97 3.531 -5.669 1.945 1.00 0.00 O ATOM 1530 CB VAL A 97 2.735 -3.110 0.425 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.299 -2.192 1.556 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.721 -2.367 -0.902 1.00 0.00 C ATOM 0 H VAL A 97 3.937 -5.070 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 97 4.838 -2.884 0.871 1.00 0.00 H new ATOM 0 HB VAL A 97 2.026 -3.936 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.311 -1.787 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.260 -2.756 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.013 -1.374 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.726 -1.960 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.445 -1.553 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.982 -3.054 -1.707 1.00 0.00 H new ATOM 1542 N TYR A 98 4.614 -4.045 3.053 1.00 0.00 N ATOM 1543 CA TYR A 98 4.603 -4.749 4.319 1.00 0.00 C ATOM 1544 C TYR A 98 3.705 -4.033 5.315 1.00 0.00 C ATOM 1545 O TYR A 98 3.900 -2.852 5.607 1.00 0.00 O ATOM 1546 CB TYR A 98 6.022 -4.854 4.886 1.00 0.00 C ATOM 1547 CG TYR A 98 7.029 -5.376 3.888 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.050 -6.718 3.534 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.950 -4.523 3.289 1.00 0.00 C ATOM 1550 CE1 TYR A 98 7.958 -7.198 2.612 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.858 -4.994 2.362 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.861 -6.332 2.030 1.00 0.00 C ATOM 1553 OH TYR A 98 9.756 -6.805 1.099 1.00 0.00 O ATOM 0 H TYR A 98 5.073 -3.135 3.082 1.00 0.00 H new ATOM 0 HA TYR A 98 4.215 -5.753 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.341 -3.871 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.010 -5.510 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.344 -7.398 3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.955 -3.476 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.962 -8.245 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.562 -4.318 1.899 1.00 0.00 H new ATOM 0 HH TYR A 98 9.328 -7.501 0.558 1.00 0.00 H new ATOM 1563 N PHE A 99 2.720 -4.752 5.825 1.00 0.00 N ATOM 1564 CA PHE A 99 1.869 -4.240 6.883 1.00 0.00 C ATOM 1565 C PHE A 99 2.201 -4.970 8.174 1.00 0.00 C ATOM 1566 O PHE A 99 1.950 -6.169 8.299 1.00 0.00 O ATOM 1567 CB PHE A 99 0.384 -4.437 6.549 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.085 -3.704 5.321 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.056 -2.320 5.270 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.576 -4.401 4.225 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.503 -1.645 4.150 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -1.024 -3.728 3.101 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.988 -2.349 3.065 1.00 0.00 C ATOM 0 H PHE A 99 2.490 -5.698 5.521 1.00 0.00 H new ATOM 0 HA PHE A 99 2.050 -3.171 6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.193 -5.502 6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.213 -4.111 7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.320 -1.762 6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.609 -5.480 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.473 -0.566 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.401 -4.281 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.338 -1.821 2.190 1.00 0.00 H new ATOM 1583 N GLN A 100 2.777 -4.255 9.124 1.00 0.00 N ATOM 1584 CA GLN A 100 3.227 -4.870 10.359 1.00 0.00 C ATOM 1585 C GLN A 100 2.262 -4.565 11.497 1.00 0.00 C ATOM 1586 O GLN A 100 1.987 -3.402 11.803 1.00 0.00 O ATOM 1587 CB GLN A 100 4.638 -4.388 10.705 1.00 0.00 C ATOM 1588 CG GLN A 100 5.235 -5.064 11.928 1.00 0.00 C ATOM 1589 CD GLN A 100 6.663 -4.629 12.207 1.00 0.00 C ATOM 1590 OE1 GLN A 100 7.469 -5.409 12.715 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.986 -3.383 11.889 1.00 0.00 N ATOM 0 H GLN A 100 2.944 -3.251 9.064 1.00 0.00 H new ATOM 0 HA GLN A 100 3.252 -5.951 10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.291 -4.562 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.613 -3.311 10.873 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.617 -4.842 12.798 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.211 -6.145 11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.290 -2.767 11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.931 -3.041 12.064 1.00 0.00 H new ATOM 1600 N ASP A 101 1.747 -5.624 12.105 1.00 0.00 N ATOM 1601 CA ASP A 101 0.799 -5.506 13.202 1.00 0.00 C ATOM 1602 C ASP A 101 1.525 -5.464 14.543 1.00 0.00 C ATOM 1603 O ASP A 101 2.651 -5.949 14.665 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.184 -6.680 13.162 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.095 -6.731 14.370 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.842 -5.763 14.604 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.055 -7.737 15.101 1.00 0.00 O ATOM 0 H ASP A 101 1.974 -6.586 11.852 1.00 0.00 H new ATOM 0 HA ASP A 101 0.246 -4.573 13.090 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.791 -6.608 12.259 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.376 -7.613 13.096 1.00 0.00 H new ATOM 1612 N SER A 102 0.867 -4.896 15.545 1.00 0.00 N ATOM 1613 CA SER A 102 1.456 -4.721 16.867 1.00 0.00 C ATOM 1614 C SER A 102 1.659 -6.067 17.571 1.00 0.00 C ATOM 1615 O SER A 102 2.553 -6.208 18.408 1.00 0.00 O ATOM 1616 CB SER A 102 0.559 -3.809 17.709 1.00 0.00 C ATOM 1617 OG SER A 102 1.138 -3.512 18.969 1.00 0.00 O ATOM 0 H SER A 102 -0.087 -4.544 15.465 1.00 0.00 H new ATOM 0 HA SER A 102 2.437 -4.260 16.750 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.374 -2.881 17.167 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.408 -4.289 17.858 1.00 0.00 H new ATOM 0 HG SER A 102 0.537 -2.927 19.476 1.00 0.00 H new ATOM 1623 N PHE A 103 0.845 -7.062 17.222 1.00 0.00 N ATOM 1624 CA PHE A 103 0.936 -8.373 17.859 1.00 0.00 C ATOM 1625 C PHE A 103 2.054 -9.209 17.239 1.00 0.00 C ATOM 1626 O PHE A 103 2.365 -10.303 17.714 1.00 0.00 O ATOM 1627 CB PHE A 103 -0.403 -9.114 17.773 1.00 0.00 C ATOM 1628 CG PHE A 103 -1.508 -8.441 18.541 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -1.610 -8.602 19.913 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -2.440 -7.648 17.893 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -2.621 -7.983 20.623 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -3.453 -7.026 18.597 1.00 0.00 C ATOM 1633 CZ PHE A 103 -3.544 -7.195 19.964 1.00 0.00 C ATOM 0 H PHE A 103 0.121 -6.986 16.508 1.00 0.00 H new ATOM 0 HA PHE A 103 1.175 -8.217 18.911 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.697 -9.198 16.727 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.274 -10.128 18.150 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.892 -9.218 20.433 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.374 -7.514 16.823 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.689 -8.115 21.693 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -4.172 -6.409 18.079 1.00 0.00 H new ATOM 0 HZ PHE A 103 -4.336 -6.712 20.517 1.00 0.00 H new ATOM 1643 N GLY A 104 2.660 -8.688 16.182 1.00 0.00 N ATOM 1644 CA GLY A 104 3.819 -9.338 15.603 1.00 0.00 C ATOM 1645 C GLY A 104 3.521 -10.063 14.307 1.00 0.00 C ATOM 1646 O GLY A 104 4.377 -10.778 13.787 1.00 0.00 O ATOM 0 H GLY A 104 2.371 -7.828 15.715 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.592 -8.591 15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.224 -10.049 16.323 1.00 0.00 H new ATOM 1650 N GLN A 105 2.314 -9.902 13.783 1.00 0.00 N ATOM 1651 CA GLN A 105 1.972 -10.513 12.506 1.00 0.00 C ATOM 1652 C GLN A 105 2.341 -9.571 11.365 1.00 0.00 C ATOM 1653 O GLN A 105 1.971 -8.396 11.377 1.00 0.00 O ATOM 1654 CB GLN A 105 0.481 -10.865 12.432 1.00 0.00 C ATOM 1655 CG GLN A 105 0.128 -11.681 11.195 1.00 0.00 C ATOM 1656 CD GLN A 105 -1.359 -11.925 11.021 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -2.117 -11.996 11.991 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -1.787 -12.063 9.774 1.00 0.00 N ATOM 0 H GLN A 105 1.565 -9.361 14.215 1.00 0.00 H new ATOM 0 HA GLN A 105 2.540 -11.439 12.414 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.200 -11.425 13.324 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.105 -9.946 12.435 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.507 -11.166 10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.640 -12.642 11.248 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.128 -11.998 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.776 -12.235 9.590 1.00 0.00 H new ATOM 1667 N LEU A 106 3.081 -10.081 10.394 1.00 0.00 N ATOM 1668 CA LEU A 106 3.471 -9.289 9.242 1.00 0.00 C ATOM 1669 C LEU A 106 2.681 -9.729 8.018 1.00 0.00 C ATOM 1670 O LEU A 106 2.681 -10.906 7.655 1.00 0.00 O ATOM 1671 CB LEU A 106 4.976 -9.420 8.987 1.00 0.00 C ATOM 1672 CG LEU A 106 5.517 -8.604 7.811 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.226 -7.125 8.002 1.00 0.00 C ATOM 1674 CD2 LEU A 106 7.010 -8.828 7.660 1.00 0.00 C ATOM 0 H LEU A 106 3.424 -11.042 10.382 1.00 0.00 H new ATOM 0 HA LEU A 106 3.250 -8.241 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.508 -9.120 9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.208 -10.471 8.815 1.00 0.00 H new ATOM 0 HG LEU A 106 5.015 -8.938 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.620 -6.564 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.149 -6.972 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.700 -6.776 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.383 -8.242 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.519 -8.518 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.203 -9.885 7.479 1.00 0.00 H new ATOM 1686 N GLN A 107 1.991 -8.785 7.403 1.00 0.00 N ATOM 1687 CA GLN A 107 1.209 -9.056 6.206 1.00 0.00 C ATOM 1688 C GLN A 107 1.859 -8.387 5.002 1.00 0.00 C ATOM 1689 O GLN A 107 1.860 -7.161 4.892 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.225 -8.542 6.392 1.00 0.00 C ATOM 1691 CG GLN A 107 -1.123 -8.730 5.177 1.00 0.00 C ATOM 1692 CD GLN A 107 -1.377 -10.187 4.846 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -0.633 -10.800 4.084 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.428 -10.751 5.419 1.00 0.00 N ATOM 0 H GLN A 107 1.956 -7.815 7.715 1.00 0.00 H new ATOM 0 HA GLN A 107 1.176 -10.132 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.674 -9.054 7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.188 -7.481 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.076 -8.233 5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.666 -8.242 4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.021 -10.207 6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.646 -11.730 5.234 1.00 0.00 H new ATOM 1703 N GLN A 108 2.427 -9.187 4.110 1.00 0.00 N ATOM 1704 CA GLN A 108 3.102 -8.650 2.939 1.00 0.00 C ATOM 1705 C GLN A 108 2.273 -8.859 1.679 1.00 0.00 C ATOM 1706 O GLN A 108 1.743 -9.948 1.436 1.00 0.00 O ATOM 1707 CB GLN A 108 4.491 -9.274 2.764 1.00 0.00 C ATOM 1708 CG GLN A 108 4.484 -10.789 2.622 1.00 0.00 C ATOM 1709 CD GLN A 108 5.807 -11.331 2.116 1.00 0.00 C ATOM 1710 OE1 GLN A 108 6.013 -11.461 0.908 1.00 0.00 O ATOM 1711 NE2 GLN A 108 6.708 -11.666 3.027 1.00 0.00 N ATOM 0 H GLN A 108 2.434 -10.205 4.175 1.00 0.00 H new ATOM 0 HA GLN A 108 3.222 -7.579 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.963 -8.840 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.108 -9.004 3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.256 -11.240 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.689 -11.083 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.501 -11.544 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.609 -12.046 2.737 1.00 0.00 H new ATOM 1720 N LEU A 109 2.164 -7.806 0.888 1.00 0.00 N ATOM 1721 CA LEU A 109 1.455 -7.856 -0.379 1.00 0.00 C ATOM 1722 C LEU A 109 2.357 -7.333 -1.489 1.00 0.00 C ATOM 1723 O LEU A 109 2.656 -6.140 -1.547 1.00 0.00 O ATOM 1724 CB LEU A 109 0.172 -7.020 -0.310 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.890 -7.518 0.674 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -2.050 -6.539 0.745 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.390 -8.892 0.260 1.00 0.00 C ATOM 0 H LEU A 109 2.564 -6.893 1.105 1.00 0.00 H new ATOM 0 HA LEU A 109 1.182 -8.890 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.440 -5.998 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.270 -6.983 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.436 -7.592 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.796 -6.909 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.686 -5.567 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.502 -6.438 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.145 -9.233 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.828 -8.835 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.557 -9.595 0.251 1.00 0.00 H new ATOM 1739 N THR A 110 2.798 -8.226 -2.359 1.00 0.00 N ATOM 1740 CA THR A 110 3.686 -7.847 -3.442 1.00 0.00 C ATOM 1741 C THR A 110 2.884 -7.547 -4.705 1.00 0.00 C ATOM 1742 O THR A 110 2.258 -8.440 -5.281 1.00 0.00 O ATOM 1743 CB THR A 110 4.697 -8.968 -3.731 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.185 -9.504 -2.495 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.864 -8.452 -4.559 1.00 0.00 C ATOM 0 H THR A 110 2.555 -9.216 -2.336 1.00 0.00 H new ATOM 0 HA THR A 110 4.227 -6.951 -3.138 1.00 0.00 H new ATOM 0 HB THR A 110 4.191 -9.748 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.299 -8.779 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.564 -9.266 -4.749 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.493 -8.064 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.372 -7.656 -4.015 1.00 0.00 H new ATOM 1753 N PHE A 111 2.899 -6.292 -5.125 1.00 0.00 N ATOM 1754 CA PHE A 111 2.137 -5.867 -6.286 1.00 0.00 C ATOM 1755 C PHE A 111 3.046 -5.666 -7.490 1.00 0.00 C ATOM 1756 O PHE A 111 4.036 -4.935 -7.419 1.00 0.00 O ATOM 1757 CB PHE A 111 1.387 -4.567 -5.990 1.00 0.00 C ATOM 1758 CG PHE A 111 0.353 -4.688 -4.907 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.882 -5.257 -5.173 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.613 -4.227 -3.627 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.837 -5.365 -4.182 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.339 -4.333 -2.632 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.565 -4.903 -2.910 1.00 0.00 C ATOM 0 H PHE A 111 3.433 -5.548 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 111 1.417 -6.652 -6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.108 -3.801 -5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.902 -4.224 -6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.100 -5.620 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.571 -3.780 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.796 -5.811 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.124 -3.970 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.311 -4.987 -2.133 1.00 0.00 H new ATOM 1773 N SER A 112 2.713 -6.325 -8.586 1.00 0.00 N ATOM 1774 CA SER A 112 3.432 -6.144 -9.832 1.00 0.00 C ATOM 1775 C SER A 112 2.578 -5.353 -10.816 1.00 0.00 C ATOM 1776 O SER A 112 1.578 -5.856 -11.332 1.00 0.00 O ATOM 1777 CB SER A 112 3.809 -7.503 -10.420 1.00 0.00 C ATOM 1778 OG SER A 112 2.673 -8.348 -10.511 1.00 0.00 O ATOM 0 H SER A 112 1.944 -6.994 -8.637 1.00 0.00 H new ATOM 0 HA SER A 112 4.347 -5.584 -9.639 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.246 -7.367 -11.409 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.569 -7.975 -9.798 1.00 0.00 H new ATOM 0 HG SER A 112 1.894 -7.820 -10.783 1.00 0.00 H new ATOM 1784 N PHE A 113 2.965 -4.114 -11.055 1.00 0.00 N ATOM 1785 CA PHE A 113 2.235 -3.243 -11.957 1.00 0.00 C ATOM 1786 C PHE A 113 2.909 -3.214 -13.319 1.00 0.00 C ATOM 1787 O PHE A 113 4.132 -3.319 -13.413 1.00 0.00 O ATOM 1788 CB PHE A 113 2.167 -1.821 -11.397 1.00 0.00 C ATOM 1789 CG PHE A 113 1.565 -1.723 -10.024 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.199 -1.851 -9.840 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.367 -1.490 -8.919 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.356 -1.748 -8.578 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.818 -1.384 -7.657 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.455 -1.514 -7.486 1.00 0.00 C ATOM 0 H PHE A 113 3.788 -3.685 -10.633 1.00 0.00 H new ATOM 0 HA PHE A 113 1.223 -3.634 -12.060 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.174 -1.406 -11.369 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.586 -1.202 -12.080 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.440 -2.033 -10.691 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.435 -1.390 -9.046 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.423 -1.851 -8.447 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.455 -1.200 -6.804 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.023 -1.433 -6.499 1.00 0.00 H new