USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=30 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 51 TYR OH : rot -170:sc= 1.07 USER MOD Set 1.2: A 53 GLN : amide:sc= -0.525 K(o=4,f=2.5) USER MOD Set 1.3: A 85 TYR OH : rot -143:sc= 1.01 USER MOD Set 1.4: A 87 SER OG : rot -88:sc= 1.13 USER MOD Set 1.5: A 93 GLN : amide:sc= 1.32 K(o=4,f=0.35) USER MOD Set 2.1: A 62 MET CE :methyl 148:sc= -0.672 (180deg=-1.25) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot -120:sc= 0.846 USER MOD Set 3.2: A 102 SER OG : rot 56:sc= 0.863 USER MOD Set 4.1: A 35 GLN : amide:sc= -0.0356 K(o=1.1,f=-1.7) USER MOD Set 4.2: A 37 HIS : no HD1:sc= 1.18 K(o=1.1,f=-5.1!) USER MOD Set 5.1: A 29 THR OG1 : rot -91:sc= 0.39 USER MOD Set 5.2: A 86 THR OG1 : rot 180:sc= 0.371 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 152:sc= -0.33 (180deg=-1.24) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.101 (180deg=-0.334) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0546 (180deg=-0.455) USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= 0.34 (180deg=0.0639) USER MOD Single : A 34 CYS SG : rot 18:sc= -0.175 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 130:sc= 0.0941 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= -0.0183 (180deg=-0.185) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 74 TYR OH : rot 130:sc= -0.025 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 48:sc= 1.07 USER MOD Single : A 89 SER OG : rot 180:sc= 0.177 USER MOD Single : A 90 THR OG1 : rot -39:sc= 0.471 USER MOD Single : A 92 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD Single : A 94 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.368 K(o=-0.37,f=-5.8!) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.0369 F(o=-0.91,f=-0.037) USER MOD Single : A 107 GLN : amide:sc= -2.82! C(o=-2.8!,f=-4!) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 110 THR OG1 : rot -51:sc= 1.23 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -5.332 -11.446 11.149 1.00 0.00 N ATOM 186 CA PHE A 13 -6.292 -10.533 10.550 1.00 0.00 C ATOM 187 C PHE A 13 -6.040 -10.438 9.050 1.00 0.00 C ATOM 188 O PHE A 13 -4.903 -10.595 8.597 1.00 0.00 O ATOM 189 CB PHE A 13 -6.200 -9.149 11.210 1.00 0.00 C ATOM 190 CG PHE A 13 -4.819 -8.549 11.194 1.00 0.00 C ATOM 191 CD1 PHE A 13 -3.886 -8.900 12.157 1.00 0.00 C ATOM 192 CD2 PHE A 13 -4.457 -7.635 10.219 1.00 0.00 C ATOM 193 CE1 PHE A 13 -2.619 -8.351 12.146 1.00 0.00 C ATOM 194 CE2 PHE A 13 -3.190 -7.082 10.205 1.00 0.00 C ATOM 195 CZ PHE A 13 -2.269 -7.442 11.168 1.00 0.00 C ATOM 0 HA PHE A 13 -7.300 -10.915 10.712 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.885 -8.470 10.702 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.538 -9.228 12.243 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.153 -9.611 12.925 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.172 -7.351 9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.902 -8.633 12.903 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.921 -6.368 9.440 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.278 -7.014 11.156 1.00 0.00 H new ATOM 205 N SER A 14 -7.087 -10.193 8.280 1.00 0.00 N ATOM 206 CA SER A 14 -6.966 -10.183 6.832 1.00 0.00 C ATOM 207 C SER A 14 -7.047 -8.762 6.289 1.00 0.00 C ATOM 208 O SER A 14 -8.055 -8.073 6.455 1.00 0.00 O ATOM 209 CB SER A 14 -8.055 -11.055 6.199 1.00 0.00 C ATOM 210 OG SER A 14 -7.849 -11.220 4.802 1.00 0.00 O ATOM 0 H SER A 14 -8.025 -9.999 8.631 1.00 0.00 H new ATOM 0 HA SER A 14 -5.991 -10.594 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.067 -12.031 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.031 -10.602 6.372 1.00 0.00 H new ATOM 0 HG SER A 14 -8.560 -11.783 4.431 1.00 0.00 H new ATOM 216 N ILE A 15 -5.976 -8.315 5.657 1.00 0.00 N ATOM 217 CA ILE A 15 -5.957 -7.013 5.010 1.00 0.00 C ATOM 218 C ILE A 15 -6.084 -7.189 3.503 1.00 0.00 C ATOM 219 O ILE A 15 -5.155 -7.671 2.852 1.00 0.00 O ATOM 220 CB ILE A 15 -4.655 -6.247 5.318 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.478 -6.083 6.827 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.657 -4.888 4.632 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.206 -5.356 7.209 1.00 0.00 C ATOM 0 H ILE A 15 -5.103 -8.837 5.577 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.797 -6.436 5.397 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.816 -6.825 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.333 -5.539 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.479 -7.068 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.730 -4.363 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.739 -5.025 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.504 -4.302 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.145 -5.275 8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.344 -5.911 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.212 -4.358 6.771 1.00 0.00 H new ATOM 235 N GLU A 16 -7.229 -6.818 2.951 1.00 0.00 N ATOM 236 CA GLU A 16 -7.474 -7.013 1.529 1.00 0.00 C ATOM 237 C GLU A 16 -7.251 -5.723 0.749 1.00 0.00 C ATOM 238 O GLU A 16 -7.317 -4.623 1.305 1.00 0.00 O ATOM 239 CB GLU A 16 -8.895 -7.526 1.281 1.00 0.00 C ATOM 240 CG GLU A 16 -9.978 -6.513 1.608 1.00 0.00 C ATOM 241 CD GLU A 16 -11.327 -6.905 1.046 1.00 0.00 C ATOM 242 OE1 GLU A 16 -11.520 -6.782 -0.183 1.00 0.00 O ATOM 243 OE2 GLU A 16 -12.201 -7.335 1.828 1.00 0.00 O ATOM 0 H GLU A 16 -7.998 -6.383 3.461 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.763 -7.761 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.988 -7.819 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.057 -8.423 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.056 -6.406 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.692 -5.539 1.211 1.00 0.00 H new ATOM 250 N THR A 17 -6.972 -5.875 -0.536 1.00 0.00 N ATOM 251 CA THR A 17 -6.840 -4.751 -1.445 1.00 0.00 C ATOM 252 C THR A 17 -7.667 -5.012 -2.699 1.00 0.00 C ATOM 253 O THR A 17 -7.877 -6.169 -3.066 1.00 0.00 O ATOM 254 CB THR A 17 -5.367 -4.526 -1.845 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.791 -5.756 -2.312 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.558 -3.997 -0.672 1.00 0.00 C ATOM 0 H THR A 17 -6.831 -6.784 -0.977 1.00 0.00 H new ATOM 0 HA THR A 17 -7.199 -3.857 -0.936 1.00 0.00 H new ATOM 0 HB THR A 17 -5.343 -3.785 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.857 -5.604 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.524 -3.847 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.978 -3.048 -0.339 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.591 -4.716 0.147 1.00 0.00 H new ATOM 264 N MET A 18 -8.152 -3.958 -3.337 1.00 0.00 N ATOM 265 CA MET A 18 -8.908 -4.116 -4.577 1.00 0.00 C ATOM 266 C MET A 18 -7.962 -4.469 -5.728 1.00 0.00 C ATOM 267 O MET A 18 -6.788 -4.098 -5.699 1.00 0.00 O ATOM 268 CB MET A 18 -9.712 -2.842 -4.893 1.00 0.00 C ATOM 269 CG MET A 18 -8.870 -1.618 -5.225 1.00 0.00 C ATOM 270 SD MET A 18 -8.386 -1.534 -6.962 1.00 0.00 S ATOM 271 CE MET A 18 -9.989 -1.434 -7.757 1.00 0.00 C ATOM 0 H MET A 18 -8.040 -2.994 -3.024 1.00 0.00 H new ATOM 0 HA MET A 18 -9.618 -4.933 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 18 -10.375 -3.048 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.345 -2.608 -4.037 1.00 0.00 H new ATOM 0 HG2 MET A 18 -9.430 -0.719 -4.967 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.973 -1.623 -4.605 1.00 0.00 H new ATOM 0 HE1 MET A 18 -9.894 -0.899 -8.702 1.00 0.00 H new ATOM 0 HE2 MET A 18 -10.365 -2.440 -7.945 1.00 0.00 H new ATOM 0 HE3 MET A 18 -10.685 -0.902 -7.108 1.00 0.00 H new ATOM 281 N PRO A 19 -8.448 -5.213 -6.737 1.00 0.00 N ATOM 282 CA PRO A 19 -7.637 -5.603 -7.898 1.00 0.00 C ATOM 283 C PRO A 19 -7.161 -4.395 -8.706 1.00 0.00 C ATOM 284 O PRO A 19 -7.949 -3.739 -9.394 1.00 0.00 O ATOM 285 CB PRO A 19 -8.584 -6.469 -8.737 1.00 0.00 C ATOM 286 CG PRO A 19 -9.675 -6.873 -7.804 1.00 0.00 C ATOM 287 CD PRO A 19 -9.816 -5.747 -6.825 1.00 0.00 C ATOM 0 HA PRO A 19 -6.728 -6.123 -7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.979 -5.911 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.068 -7.340 -9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.607 -7.041 -8.343 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.429 -7.805 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.522 -4.994 -7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.176 -6.096 -5.857 1.00 0.00 H new ATOM 295 N VAL A 20 -5.871 -4.106 -8.604 1.00 0.00 N ATOM 296 CA VAL A 20 -5.276 -2.963 -9.283 1.00 0.00 C ATOM 297 C VAL A 20 -5.023 -3.265 -10.760 1.00 0.00 C ATOM 298 O VAL A 20 -5.005 -4.434 -11.167 1.00 0.00 O ATOM 299 CB VAL A 20 -3.950 -2.542 -8.610 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.199 -2.081 -7.183 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.937 -3.678 -8.638 1.00 0.00 C ATOM 0 H VAL A 20 -5.211 -4.653 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.988 -2.141 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.534 -1.708 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.254 -1.789 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.878 -1.229 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.643 -2.895 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.014 -3.354 -8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.341 -4.539 -8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.730 -3.956 -9.672 1.00 0.00 H new ATOM 311 N PRO A 21 -4.847 -2.215 -11.585 1.00 0.00 N ATOM 312 CA PRO A 21 -4.524 -2.368 -13.005 1.00 0.00 C ATOM 313 C PRO A 21 -3.251 -3.178 -13.210 1.00 0.00 C ATOM 314 O PRO A 21 -2.342 -3.146 -12.381 1.00 0.00 O ATOM 315 CB PRO A 21 -4.325 -0.932 -13.497 1.00 0.00 C ATOM 316 CG PRO A 21 -5.069 -0.089 -12.523 1.00 0.00 C ATOM 317 CD PRO A 21 -4.963 -0.797 -11.201 1.00 0.00 C ATOM 0 HA PRO A 21 -5.306 -2.903 -13.544 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.268 -0.666 -13.524 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.712 -0.803 -14.508 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.641 0.912 -12.466 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.111 0.026 -12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.095 -0.462 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.840 -0.619 -10.578 1.00 0.00 H new ATOM 325 N LYS A 22 -3.186 -3.892 -14.320 1.00 0.00 N ATOM 326 CA LYS A 22 -2.072 -4.793 -14.576 1.00 0.00 C ATOM 327 C LYS A 22 -0.878 -4.040 -15.157 1.00 0.00 C ATOM 328 O LYS A 22 0.229 -4.567 -15.230 1.00 0.00 O ATOM 329 CB LYS A 22 -2.515 -5.921 -15.509 1.00 0.00 C ATOM 330 CG LYS A 22 -3.781 -6.621 -15.029 1.00 0.00 C ATOM 331 CD LYS A 22 -4.027 -7.929 -15.764 1.00 0.00 C ATOM 332 CE LYS A 22 -2.920 -8.935 -15.495 1.00 0.00 C ATOM 333 NZ LYS A 22 -2.725 -9.184 -14.041 1.00 0.00 N ATOM 0 H LYS A 22 -3.889 -3.867 -15.058 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.755 -5.229 -13.629 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.685 -5.516 -16.506 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.711 -6.652 -15.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.703 -6.816 -13.959 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.636 -5.960 -15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.984 -8.348 -15.453 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.095 -7.739 -16.835 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.157 -9.875 -15.994 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.988 -8.571 -15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.126 -10.024 -13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.264 -8.359 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.648 -9.343 -13.589 1.00 0.00 H new ATOM 347 N LYS A 23 -1.113 -2.802 -15.564 1.00 0.00 N ATOM 348 CA LYS A 23 -0.056 -1.939 -16.069 1.00 0.00 C ATOM 349 C LYS A 23 -0.412 -0.488 -15.791 1.00 0.00 C ATOM 350 O LYS A 23 -1.589 -0.152 -15.664 1.00 0.00 O ATOM 351 CB LYS A 23 0.162 -2.164 -17.570 1.00 0.00 C ATOM 352 CG LYS A 23 -1.072 -1.900 -18.420 1.00 0.00 C ATOM 353 CD LYS A 23 -0.809 -2.194 -19.886 1.00 0.00 C ATOM 354 CE LYS A 23 -2.065 -2.014 -20.723 1.00 0.00 C ATOM 355 NZ LYS A 23 -3.168 -2.894 -20.257 1.00 0.00 N ATOM 0 H LYS A 23 -2.036 -2.369 -15.554 1.00 0.00 H new ATOM 0 HA LYS A 23 0.875 -2.184 -15.558 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.970 -1.517 -17.910 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.488 -3.192 -17.730 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.898 -2.517 -18.066 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.379 -0.860 -18.305 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.026 -1.533 -20.256 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.442 -3.215 -19.994 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.386 -0.973 -20.678 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.841 -2.233 -21.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.885 -2.978 -21.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.789 -3.836 -20.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.603 -2.484 -19.406 1.00 0.00 H new ATOM 369 N LEU A 24 0.596 0.365 -15.683 1.00 0.00 N ATOM 370 CA LEU A 24 0.376 1.762 -15.346 1.00 0.00 C ATOM 371 C LEU A 24 1.235 2.677 -16.209 1.00 0.00 C ATOM 372 O LEU A 24 2.403 2.391 -16.463 1.00 0.00 O ATOM 373 CB LEU A 24 0.694 2.011 -13.870 1.00 0.00 C ATOM 374 CG LEU A 24 -0.278 1.392 -12.869 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.241 1.577 -11.453 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.653 2.021 -13.010 1.00 0.00 C ATOM 0 H LEU A 24 1.574 0.113 -15.824 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.674 1.987 -15.535 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.693 1.627 -13.663 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.725 3.087 -13.701 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.361 0.325 -13.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.460 1.132 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.212 1.091 -11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.344 2.641 -11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.335 1.569 -12.290 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.584 3.092 -12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.028 1.853 -14.020 1.00 0.00 H new ATOM 388 N LYS A 25 0.638 3.766 -16.668 1.00 0.00 N ATOM 389 CA LYS A 25 1.357 4.797 -17.409 1.00 0.00 C ATOM 390 C LYS A 25 2.078 5.727 -16.434 1.00 0.00 C ATOM 391 O LYS A 25 1.662 5.865 -15.285 1.00 0.00 O ATOM 392 CB LYS A 25 0.368 5.603 -18.261 1.00 0.00 C ATOM 393 CG LYS A 25 0.991 6.784 -18.989 1.00 0.00 C ATOM 394 CD LYS A 25 -0.058 7.660 -19.647 1.00 0.00 C ATOM 395 CE LYS A 25 0.577 8.844 -20.362 1.00 0.00 C ATOM 396 NZ LYS A 25 1.294 9.753 -19.426 1.00 0.00 N ATOM 0 H LYS A 25 -0.355 3.962 -16.539 1.00 0.00 H new ATOM 0 HA LYS A 25 2.092 4.325 -18.061 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.088 4.938 -18.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.434 5.968 -17.619 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.571 7.380 -18.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.686 6.419 -19.746 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.633 7.069 -20.359 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.758 8.021 -18.893 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.275 8.479 -21.115 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.196 9.404 -20.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.851 10.694 -19.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.242 9.369 -18.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.290 9.832 -19.714 1.00 0.00 H new ATOM 410 N VAL A 26 3.157 6.361 -16.881 1.00 0.00 N ATOM 411 CA VAL A 26 3.822 7.370 -16.070 1.00 0.00 C ATOM 412 C VAL A 26 2.890 8.561 -15.893 1.00 0.00 C ATOM 413 O VAL A 26 2.454 9.168 -16.873 1.00 0.00 O ATOM 414 CB VAL A 26 5.148 7.842 -16.704 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.830 8.882 -15.825 1.00 0.00 C ATOM 416 CG2 VAL A 26 6.071 6.657 -16.947 1.00 0.00 C ATOM 0 H VAL A 26 3.585 6.195 -17.792 1.00 0.00 H new ATOM 0 HA VAL A 26 4.060 6.923 -15.105 1.00 0.00 H new ATOM 0 HB VAL A 26 4.922 8.307 -17.663 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.762 9.199 -16.293 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.173 9.743 -15.704 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.044 8.449 -14.848 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.002 7.006 -17.394 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.287 6.164 -15.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.587 5.951 -17.622 1.00 0.00 H new ATOM 426 N GLY A 27 2.557 8.859 -14.647 1.00 0.00 N ATOM 427 CA GLY A 27 1.609 9.913 -14.359 1.00 0.00 C ATOM 428 C GLY A 27 0.234 9.357 -14.055 1.00 0.00 C ATOM 429 O GLY A 27 -0.603 10.032 -13.458 1.00 0.00 O ATOM 0 H GLY A 27 2.930 8.385 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.961 10.498 -13.510 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.548 10.591 -15.210 1.00 0.00 H new ATOM 433 N GLU A 28 0.010 8.108 -14.450 1.00 0.00 N ATOM 434 CA GLU A 28 -1.266 7.446 -14.217 1.00 0.00 C ATOM 435 C GLU A 28 -1.354 6.989 -12.763 1.00 0.00 C ATOM 436 O GLU A 28 -0.435 6.351 -12.244 1.00 0.00 O ATOM 437 CB GLU A 28 -1.425 6.261 -15.178 1.00 0.00 C ATOM 438 CG GLU A 28 -2.734 5.503 -15.034 1.00 0.00 C ATOM 439 CD GLU A 28 -2.959 4.522 -16.167 1.00 0.00 C ATOM 440 OE1 GLU A 28 -2.079 3.671 -16.415 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.012 4.605 -16.829 1.00 0.00 O ATOM 0 H GLU A 28 0.699 7.533 -14.935 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.079 8.148 -14.406 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.342 6.626 -16.202 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.599 5.568 -15.019 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.738 4.966 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.561 6.213 -15.002 1.00 0.00 H new ATOM 448 N THR A 29 -2.446 7.340 -12.103 1.00 0.00 N ATOM 449 CA THR A 29 -2.619 7.021 -10.697 1.00 0.00 C ATOM 450 C THR A 29 -3.673 5.933 -10.506 1.00 0.00 C ATOM 451 O THR A 29 -4.775 6.014 -11.049 1.00 0.00 O ATOM 452 CB THR A 29 -3.007 8.281 -9.901 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.016 9.300 -10.114 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.123 7.983 -8.412 1.00 0.00 C ATOM 0 H THR A 29 -3.227 7.847 -12.520 1.00 0.00 H new ATOM 0 HA THR A 29 -1.668 6.645 -10.320 1.00 0.00 H new ATOM 0 HB THR A 29 -3.980 8.624 -10.253 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.319 9.226 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.398 8.893 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.888 7.223 -8.251 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.166 7.619 -8.038 1.00 0.00 H new ATOM 462 N ALA A 30 -3.315 4.911 -9.747 1.00 0.00 N ATOM 463 CA ALA A 30 -4.220 3.816 -9.456 1.00 0.00 C ATOM 464 C ALA A 30 -4.671 3.877 -8.005 1.00 0.00 C ATOM 465 O ALA A 30 -3.842 4.018 -7.100 1.00 0.00 O ATOM 466 CB ALA A 30 -3.536 2.488 -9.745 1.00 0.00 C ATOM 0 H ALA A 30 -2.394 4.818 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.100 3.904 -10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.222 1.670 -9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.249 2.448 -10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.646 2.394 -9.122 1.00 0.00 H new ATOM 472 N GLU A 31 -5.974 3.793 -7.780 1.00 0.00 N ATOM 473 CA GLU A 31 -6.501 3.803 -6.424 1.00 0.00 C ATOM 474 C GLU A 31 -6.516 2.394 -5.851 1.00 0.00 C ATOM 475 O GLU A 31 -7.189 1.504 -6.375 1.00 0.00 O ATOM 476 CB GLU A 31 -7.910 4.399 -6.372 1.00 0.00 C ATOM 477 CG GLU A 31 -8.496 4.403 -4.970 1.00 0.00 C ATOM 478 CD GLU A 31 -9.879 5.008 -4.913 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.859 4.301 -5.208 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.995 6.198 -4.556 1.00 0.00 O ATOM 0 H GLU A 31 -6.680 3.718 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.845 4.431 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.882 5.420 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.565 3.831 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.537 3.380 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.834 4.959 -4.306 1.00 0.00 H new ATOM 487 N ILE A 32 -5.763 2.197 -4.785 1.00 0.00 N ATOM 488 CA ILE A 32 -5.737 0.929 -4.092 1.00 0.00 C ATOM 489 C ILE A 32 -6.600 1.023 -2.842 1.00 0.00 C ATOM 490 O ILE A 32 -6.186 1.586 -1.828 1.00 0.00 O ATOM 491 CB ILE A 32 -4.300 0.526 -3.695 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.375 0.583 -4.915 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.290 -0.870 -3.087 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.923 0.288 -4.599 1.00 0.00 C ATOM 0 H ILE A 32 -5.156 2.909 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.126 0.166 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.935 1.232 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.727 -0.131 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.445 1.573 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.270 -1.140 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.921 -0.884 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.671 -1.586 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.332 0.348 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.552 1.017 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.839 -0.714 -4.177 1.00 0.00 H new ATOM 506 N ARG A 33 -7.817 0.515 -2.931 1.00 0.00 N ATOM 507 CA ARG A 33 -8.714 0.510 -1.790 1.00 0.00 C ATOM 508 C ARG A 33 -8.351 -0.647 -0.880 1.00 0.00 C ATOM 509 O ARG A 33 -8.222 -1.786 -1.339 1.00 0.00 O ATOM 510 CB ARG A 33 -10.169 0.386 -2.237 1.00 0.00 C ATOM 511 CG ARG A 33 -10.556 1.350 -3.344 1.00 0.00 C ATOM 512 CD ARG A 33 -12.063 1.393 -3.542 1.00 0.00 C ATOM 513 NE ARG A 33 -12.662 0.057 -3.565 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.139 -0.535 -4.660 1.00 0.00 C ATOM 515 NH1 ARG A 33 -12.977 0.027 -5.853 1.00 0.00 N ATOM 516 NH2 ARG A 33 -13.769 -1.698 -4.562 1.00 0.00 N ATOM 0 H ARG A 33 -8.205 0.102 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.607 1.453 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.349 -0.634 -2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.819 0.555 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.191 2.348 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.074 1.050 -4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.515 1.977 -2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.289 1.906 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.718 -0.455 -2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.485 0.917 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.344 -0.431 -6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.888 -2.138 -3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.135 -2.152 -5.399 1.00 0.00 H new ATOM 530 N CYS A 34 -8.167 -0.357 0.394 1.00 0.00 N ATOM 531 CA CYS A 34 -7.762 -1.374 1.340 1.00 0.00 C ATOM 532 C CYS A 34 -8.819 -1.543 2.424 1.00 0.00 C ATOM 533 O CYS A 34 -9.551 -0.602 2.742 1.00 0.00 O ATOM 534 CB CYS A 34 -6.414 -1.001 1.953 1.00 0.00 C ATOM 535 SG CYS A 34 -5.570 -2.373 2.766 1.00 0.00 S ATOM 0 H CYS A 34 -8.292 0.573 0.795 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.658 -2.325 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.768 -0.604 1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.565 -0.201 2.678 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.081 -3.498 2.361 1.00 0.00 H new ATOM 541 N GLN A 35 -8.911 -2.746 2.968 1.00 0.00 N ATOM 542 CA GLN A 35 -9.863 -3.035 4.025 1.00 0.00 C ATOM 543 C GLN A 35 -9.209 -3.939 5.062 1.00 0.00 C ATOM 544 O GLN A 35 -8.863 -5.089 4.772 1.00 0.00 O ATOM 545 CB GLN A 35 -11.112 -3.704 3.440 1.00 0.00 C ATOM 546 CG GLN A 35 -12.426 -3.272 4.082 1.00 0.00 C ATOM 547 CD GLN A 35 -12.567 -3.689 5.538 1.00 0.00 C ATOM 548 OE1 GLN A 35 -12.014 -4.697 5.966 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.338 -2.928 6.298 1.00 0.00 N ATOM 0 H GLN A 35 -8.334 -3.541 2.692 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.166 -2.105 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.157 -3.488 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.011 -4.784 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.513 -2.188 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.254 -3.694 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.781 -2.097 5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.490 -3.172 7.277 1.00 0.00 H new ATOM 558 N LEU A 36 -9.018 -3.405 6.254 1.00 0.00 N ATOM 559 CA LEU A 36 -8.417 -4.152 7.348 1.00 0.00 C ATOM 560 C LEU A 36 -9.494 -4.894 8.130 1.00 0.00 C ATOM 561 O LEU A 36 -10.290 -4.283 8.840 1.00 0.00 O ATOM 562 CB LEU A 36 -7.648 -3.195 8.265 1.00 0.00 C ATOM 563 CG LEU A 36 -6.998 -3.833 9.495 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.494 -3.613 9.475 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.603 -3.258 10.766 1.00 0.00 C ATOM 0 H LEU A 36 -9.273 -2.447 6.493 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.720 -4.886 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.870 -2.706 7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.332 -2.416 8.601 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.188 -4.906 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.047 -4.073 10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.072 -4.064 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.283 -2.544 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.133 -3.720 11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.437 -2.181 10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.674 -3.461 10.783 1.00 0.00 H new ATOM 577 N HIS A 37 -9.520 -6.212 7.991 1.00 0.00 N ATOM 578 CA HIS A 37 -10.535 -7.028 8.646 1.00 0.00 C ATOM 579 C HIS A 37 -10.067 -7.508 10.013 1.00 0.00 C ATOM 580 O HIS A 37 -9.205 -8.384 10.115 1.00 0.00 O ATOM 581 CB HIS A 37 -10.901 -8.244 7.788 1.00 0.00 C ATOM 582 CG HIS A 37 -11.629 -7.914 6.524 1.00 0.00 C ATOM 583 ND1 HIS A 37 -13.004 -7.870 6.437 1.00 0.00 N ATOM 584 CD2 HIS A 37 -11.167 -7.638 5.283 1.00 0.00 C ATOM 585 CE1 HIS A 37 -13.355 -7.577 5.198 1.00 0.00 C ATOM 586 NE2 HIS A 37 -12.259 -7.431 4.478 1.00 0.00 N ATOM 0 H HIS A 37 -8.851 -6.740 7.431 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.414 -6.397 8.774 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.988 -8.783 7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.517 -8.920 8.382 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -10.131 -7.590 4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.367 -7.474 4.836 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.228 -7.202 3.485 1.00 0.00 H new ATOM 595 N ARG A 38 -10.624 -6.923 11.064 1.00 0.00 N ATOM 596 CA ARG A 38 -10.399 -7.420 12.413 1.00 0.00 C ATOM 597 C ARG A 38 -11.406 -8.521 12.711 1.00 0.00 C ATOM 598 O ARG A 38 -12.576 -8.410 12.343 1.00 0.00 O ATOM 599 CB ARG A 38 -10.524 -6.295 13.445 1.00 0.00 C ATOM 600 CG ARG A 38 -9.422 -5.253 13.348 1.00 0.00 C ATOM 601 CD ARG A 38 -9.603 -4.156 14.385 1.00 0.00 C ATOM 602 NE ARG A 38 -8.528 -3.168 14.328 1.00 0.00 N ATOM 603 CZ ARG A 38 -8.704 -1.905 13.941 1.00 0.00 C ATOM 604 NH1 ARG A 38 -9.910 -1.479 13.591 1.00 0.00 N ATOM 605 NH2 ARG A 38 -7.680 -1.063 13.918 1.00 0.00 N ATOM 0 H ARG A 38 -11.233 -6.107 11.009 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.386 -7.817 12.478 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.489 -5.804 13.319 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.515 -6.728 14.445 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.453 -5.732 13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.420 -4.815 12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.560 -3.660 14.225 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.636 -4.599 15.380 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.590 -3.462 14.600 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.704 -2.118 13.618 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.043 -0.512 13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.752 -1.381 14.197 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.820 -0.097 13.621 1.00 0.00 H new ATOM 712 N THR A 45 -4.238 -2.779 19.084 1.00 0.00 N ATOM 713 CA THR A 45 -2.888 -2.890 18.565 1.00 0.00 C ATOM 714 C THR A 45 -2.668 -1.890 17.433 1.00 0.00 C ATOM 715 O THR A 45 -3.592 -1.572 16.678 1.00 0.00 O ATOM 716 CB THR A 45 -2.613 -4.327 18.073 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.341 -4.410 17.423 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.708 -4.792 17.126 1.00 0.00 C ATOM 0 HA THR A 45 -2.190 -2.661 19.371 1.00 0.00 H new ATOM 0 HB THR A 45 -2.602 -4.980 18.946 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.466 -4.705 16.497 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.493 -5.807 16.792 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.667 -4.775 17.643 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.749 -4.127 16.263 1.00 0.00 H new ATOM 726 N LYS A 46 -1.448 -1.384 17.332 1.00 0.00 N ATOM 727 CA LYS A 46 -1.115 -0.400 16.319 1.00 0.00 C ATOM 728 C LYS A 46 -0.620 -1.086 15.056 1.00 0.00 C ATOM 729 O LYS A 46 0.273 -1.936 15.106 1.00 0.00 O ATOM 730 CB LYS A 46 -0.051 0.571 16.838 1.00 0.00 C ATOM 731 CG LYS A 46 -0.517 1.430 18.002 1.00 0.00 C ATOM 732 CD LYS A 46 0.550 2.429 18.419 1.00 0.00 C ATOM 733 CE LYS A 46 1.770 1.742 19.014 1.00 0.00 C ATOM 734 NZ LYS A 46 2.852 2.709 19.331 1.00 0.00 N ATOM 0 H LYS A 46 -0.672 -1.641 17.942 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.017 0.165 16.084 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.826 0.002 17.147 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.262 1.222 16.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.426 1.962 17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.770 0.792 18.848 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.852 3.020 17.554 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.132 3.123 19.149 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.481 1.211 19.921 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.144 0.996 18.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.665 2.201 19.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.146 3.198 18.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.504 3.406 20.020 1.00 0.00 H new ATOM 748 N TYR A 47 -1.207 -0.712 13.930 1.00 0.00 N ATOM 749 CA TYR A 47 -0.828 -1.270 12.644 1.00 0.00 C ATOM 750 C TYR A 47 0.087 -0.296 11.921 1.00 0.00 C ATOM 751 O TYR A 47 -0.217 0.894 11.809 1.00 0.00 O ATOM 752 CB TYR A 47 -2.069 -1.558 11.794 1.00 0.00 C ATOM 753 CG TYR A 47 -3.079 -2.446 12.479 1.00 0.00 C ATOM 754 CD1 TYR A 47 -2.989 -3.828 12.400 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.125 -1.896 13.207 1.00 0.00 C ATOM 756 CE1 TYR A 47 -3.914 -4.639 13.030 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.050 -2.699 13.839 1.00 0.00 C ATOM 758 CZ TYR A 47 -4.943 -4.068 13.748 1.00 0.00 C ATOM 759 OH TYR A 47 -5.870 -4.868 14.378 1.00 0.00 O ATOM 0 H TYR A 47 -1.954 -0.019 13.883 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.301 -2.210 12.807 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.547 -0.614 11.532 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.759 -2.028 10.861 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.184 -4.277 11.838 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.216 -0.822 13.279 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.831 -5.714 12.960 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.856 -2.255 14.404 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.968 -4.583 15.310 1.00 0.00 H new ATOM 769 N PHE A 48 1.212 -0.796 11.443 1.00 0.00 N ATOM 770 CA PHE A 48 2.197 0.051 10.799 1.00 0.00 C ATOM 771 C PHE A 48 2.401 -0.371 9.353 1.00 0.00 C ATOM 772 O PHE A 48 2.433 -1.563 9.041 1.00 0.00 O ATOM 773 CB PHE A 48 3.520 -0.016 11.557 1.00 0.00 C ATOM 774 CG PHE A 48 3.410 0.338 13.011 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.255 1.655 13.405 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.470 -0.649 13.982 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.161 1.983 14.742 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.376 -0.327 15.320 1.00 0.00 C ATOM 779 CZ PHE A 48 3.221 0.992 15.700 1.00 0.00 C ATOM 0 H PHE A 48 1.465 -1.783 11.489 1.00 0.00 H new ATOM 0 HA PHE A 48 1.832 1.078 10.811 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.927 -1.023 11.469 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.233 0.658 11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.207 2.434 12.659 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.592 -1.681 13.688 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.041 3.015 15.038 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.423 -1.104 16.069 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.147 1.247 16.747 1.00 0.00 H new ATOM 789 N ILE A 49 2.538 0.609 8.475 1.00 0.00 N ATOM 790 CA ILE A 49 2.731 0.344 7.059 1.00 0.00 C ATOM 791 C ILE A 49 4.108 0.819 6.594 1.00 0.00 C ATOM 792 O ILE A 49 4.554 1.917 6.936 1.00 0.00 O ATOM 793 CB ILE A 49 1.626 1.016 6.202 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.830 0.706 4.713 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.593 2.522 6.437 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.785 1.328 3.809 1.00 0.00 C ATOM 0 H ILE A 49 2.519 1.599 8.719 1.00 0.00 H new ATOM 0 HA ILE A 49 2.666 -0.735 6.922 1.00 0.00 H new ATOM 0 HB ILE A 49 0.665 0.604 6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.816 1.059 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.822 -0.375 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.810 2.969 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.389 2.722 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.556 2.954 6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.997 1.064 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.202 0.956 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.808 2.412 3.919 1.00 0.00 H new ATOM 808 N ARG A 50 4.790 -0.039 5.849 1.00 0.00 N ATOM 809 CA ARG A 50 6.045 0.316 5.205 1.00 0.00 C ATOM 810 C ARG A 50 6.155 -0.479 3.911 1.00 0.00 C ATOM 811 O ARG A 50 5.828 -1.662 3.884 1.00 0.00 O ATOM 812 CB ARG A 50 7.250 0.031 6.121 1.00 0.00 C ATOM 813 CG ARG A 50 7.553 -1.449 6.317 1.00 0.00 C ATOM 814 CD ARG A 50 8.831 -1.667 7.121 1.00 0.00 C ATOM 815 NE ARG A 50 8.632 -1.478 8.558 1.00 0.00 N ATOM 816 CZ ARG A 50 9.601 -1.139 9.409 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.820 -0.862 8.964 1.00 0.00 N ATOM 818 NH2 ARG A 50 9.348 -1.062 10.710 1.00 0.00 N ATOM 0 H ARG A 50 4.490 -0.998 5.675 1.00 0.00 H new ATOM 0 HA ARG A 50 6.054 1.385 4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.131 0.518 5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.066 0.484 7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.717 -1.926 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.649 -1.932 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.202 -2.676 6.939 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.598 -0.977 6.771 1.00 0.00 H new ATOM 0 HE ARG A 50 7.693 -1.614 8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.021 -0.908 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.556 -0.603 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.411 -1.262 11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.090 -0.803 11.359 1.00 0.00 H new ATOM 832 N TYR A 51 6.570 0.154 2.832 1.00 0.00 N ATOM 833 CA TYR A 51 6.668 -0.557 1.571 1.00 0.00 C ATOM 834 C TYR A 51 8.094 -0.521 1.045 1.00 0.00 C ATOM 835 O TYR A 51 8.879 0.355 1.407 1.00 0.00 O ATOM 836 CB TYR A 51 5.690 0.016 0.532 1.00 0.00 C ATOM 837 CG TYR A 51 6.184 1.241 -0.212 1.00 0.00 C ATOM 838 CD1 TYR A 51 5.938 2.523 0.262 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.882 1.105 -1.401 1.00 0.00 C ATOM 840 CE1 TYR A 51 6.381 3.634 -0.431 1.00 0.00 C ATOM 841 CE2 TYR A 51 7.326 2.207 -2.098 1.00 0.00 C ATOM 842 CZ TYR A 51 7.078 3.470 -1.614 1.00 0.00 C ATOM 843 OH TYR A 51 7.521 4.567 -2.321 1.00 0.00 O ATOM 0 H TYR A 51 6.840 1.137 2.800 1.00 0.00 H new ATOM 0 HA TYR A 51 6.393 -1.596 1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.460 -0.763 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.757 0.268 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.393 2.654 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.082 0.117 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.184 4.625 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.868 2.079 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 51 7.848 4.280 -3.199 1.00 0.00 H new ATOM 853 N PHE A 52 8.424 -1.482 0.205 1.00 0.00 N ATOM 854 CA PHE A 52 9.727 -1.536 -0.420 1.00 0.00 C ATOM 855 C PHE A 52 9.576 -1.860 -1.898 1.00 0.00 C ATOM 856 O PHE A 52 9.204 -2.972 -2.268 1.00 0.00 O ATOM 857 CB PHE A 52 10.610 -2.583 0.265 1.00 0.00 C ATOM 858 CG PHE A 52 11.986 -2.691 -0.325 1.00 0.00 C ATOM 859 CD1 PHE A 52 12.950 -1.738 -0.043 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.315 -3.742 -1.166 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.216 -1.830 -0.587 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.579 -3.840 -1.712 1.00 0.00 C ATOM 863 CZ PHE A 52 14.531 -2.883 -1.422 1.00 0.00 C ATOM 0 H PHE A 52 7.799 -2.243 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 52 10.207 -0.563 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.696 -2.336 1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.120 -3.555 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.709 -0.913 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.574 -4.493 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 52 14.958 -1.079 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.823 -4.665 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.521 -2.958 -1.848 1.00 0.00 H new ATOM 873 N GLN A 53 9.833 -0.879 -2.743 1.00 0.00 N ATOM 874 CA GLN A 53 9.795 -1.099 -4.176 1.00 0.00 C ATOM 875 C GLN A 53 11.210 -1.173 -4.734 1.00 0.00 C ATOM 876 O GLN A 53 11.965 -0.198 -4.673 1.00 0.00 O ATOM 877 CB GLN A 53 8.974 -0.009 -4.884 1.00 0.00 C ATOM 878 CG GLN A 53 9.447 1.416 -4.622 1.00 0.00 C ATOM 879 CD GLN A 53 8.568 2.458 -5.292 1.00 0.00 C ATOM 880 OE1 GLN A 53 8.409 3.570 -4.786 1.00 0.00 O ATOM 881 NE2 GLN A 53 7.996 2.111 -6.434 1.00 0.00 N ATOM 0 H GLN A 53 10.069 0.073 -2.464 1.00 0.00 H new ATOM 0 HA GLN A 53 9.301 -2.052 -4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.999 -0.194 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.934 -0.095 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.463 1.597 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.471 1.526 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.152 1.180 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.399 2.774 -6.928 1.00 0.00 H new ATOM 890 N PRO A 54 11.605 -2.352 -5.245 1.00 0.00 N ATOM 891 CA PRO A 54 12.905 -2.535 -5.896 1.00 0.00 C ATOM 892 C PRO A 54 13.068 -1.581 -7.067 1.00 0.00 C ATOM 893 O PRO A 54 14.166 -1.099 -7.352 1.00 0.00 O ATOM 894 CB PRO A 54 12.865 -3.986 -6.383 1.00 0.00 C ATOM 895 CG PRO A 54 11.852 -4.651 -5.519 1.00 0.00 C ATOM 896 CD PRO A 54 10.827 -3.601 -5.206 1.00 0.00 C ATOM 0 HA PRO A 54 13.741 -2.333 -5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.585 -4.042 -7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.841 -4.462 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.398 -5.500 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.308 -5.036 -4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.019 -3.596 -5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.371 -3.761 -4.229 1.00 0.00 H new ATOM 904 N ASP A 55 11.959 -1.302 -7.732 1.00 0.00 N ATOM 905 CA ASP A 55 11.934 -0.329 -8.807 1.00 0.00 C ATOM 906 C ASP A 55 11.718 1.061 -8.229 1.00 0.00 C ATOM 907 O ASP A 55 10.621 1.397 -7.778 1.00 0.00 O ATOM 908 CB ASP A 55 10.840 -0.669 -9.824 1.00 0.00 C ATOM 909 CG ASP A 55 11.129 -1.954 -10.572 1.00 0.00 C ATOM 910 OD1 ASP A 55 11.989 -1.934 -11.480 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.504 -2.991 -10.255 1.00 0.00 O ATOM 0 H ASP A 55 11.058 -1.741 -7.542 1.00 0.00 H new ATOM 0 HA ASP A 55 12.891 -0.353 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.884 -0.758 -9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.743 0.150 -10.537 1.00 0.00 H new ATOM 916 N GLY A 56 12.774 1.859 -8.230 1.00 0.00 N ATOM 917 CA GLY A 56 12.731 3.156 -7.589 1.00 0.00 C ATOM 918 C GLY A 56 12.106 4.222 -8.463 1.00 0.00 C ATOM 919 O GLY A 56 12.773 5.181 -8.850 1.00 0.00 O ATOM 0 H GLY A 56 13.667 1.629 -8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.167 3.078 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.744 3.459 -7.323 1.00 0.00 H new ATOM 923 N ALA A 57 10.830 4.052 -8.778 1.00 0.00 N ATOM 924 CA ALA A 57 10.095 5.030 -9.565 1.00 0.00 C ATOM 925 C ALA A 57 8.598 4.870 -9.347 1.00 0.00 C ATOM 926 O ALA A 57 7.926 4.144 -10.077 1.00 0.00 O ATOM 927 CB ALA A 57 10.431 4.906 -11.045 1.00 0.00 C ATOM 0 H ALA A 57 10.280 3.240 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 57 10.394 6.024 -9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.868 5.649 -11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.498 5.072 -11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.168 3.908 -11.395 1.00 0.00 H new ATOM 933 N GLY A 58 8.086 5.541 -8.334 1.00 0.00 N ATOM 934 CA GLY A 58 6.678 5.453 -8.022 1.00 0.00 C ATOM 935 C GLY A 58 6.314 6.303 -6.829 1.00 0.00 C ATOM 936 O GLY A 58 7.127 6.490 -5.924 1.00 0.00 O ATOM 0 H GLY A 58 8.623 6.150 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.094 5.770 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.414 4.414 -7.822 1.00 0.00 H new ATOM 940 N THR A 59 5.105 6.830 -6.827 1.00 0.00 N ATOM 941 CA THR A 59 4.643 7.661 -5.733 1.00 0.00 C ATOM 942 C THR A 59 3.429 7.041 -5.057 1.00 0.00 C ATOM 943 O THR A 59 2.356 6.953 -5.650 1.00 0.00 O ATOM 944 CB THR A 59 4.298 9.077 -6.229 1.00 0.00 C ATOM 945 OG1 THR A 59 5.459 9.678 -6.818 1.00 0.00 O ATOM 946 CG2 THR A 59 3.795 9.951 -5.091 1.00 0.00 C ATOM 0 H THR A 59 4.423 6.697 -7.574 1.00 0.00 H new ATOM 0 HA THR A 59 5.452 7.731 -5.005 1.00 0.00 H new ATOM 0 HB THR A 59 3.506 8.993 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.236 10.578 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.560 10.945 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.898 9.506 -4.659 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.566 10.030 -4.325 1.00 0.00 H new ATOM 954 N LEU A 60 3.602 6.607 -3.821 1.00 0.00 N ATOM 955 CA LEU A 60 2.512 6.011 -3.070 1.00 0.00 C ATOM 956 C LEU A 60 2.100 6.925 -1.926 1.00 0.00 C ATOM 957 O LEU A 60 2.844 7.105 -0.961 1.00 0.00 O ATOM 958 CB LEU A 60 2.916 4.633 -2.534 1.00 0.00 C ATOM 959 CG LEU A 60 1.837 3.896 -1.734 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.594 3.673 -2.582 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.374 2.570 -1.222 1.00 0.00 C ATOM 0 H LEU A 60 4.487 6.656 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 60 1.661 5.882 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.211 4.007 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.796 4.752 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 60 1.561 4.515 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.159 3.148 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.196 4.635 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.852 3.076 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.597 2.057 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.677 1.950 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.234 2.750 -0.577 1.00 0.00 H new ATOM 973 N LYS A 61 0.929 7.524 -2.049 1.00 0.00 N ATOM 974 CA LYS A 61 0.407 8.370 -0.992 1.00 0.00 C ATOM 975 C LYS A 61 -0.868 7.783 -0.416 1.00 0.00 C ATOM 976 O LYS A 61 -1.653 7.152 -1.125 1.00 0.00 O ATOM 977 CB LYS A 61 0.141 9.792 -1.494 1.00 0.00 C ATOM 978 CG LYS A 61 1.402 10.602 -1.744 1.00 0.00 C ATOM 979 CD LYS A 61 1.089 12.081 -1.919 1.00 0.00 C ATOM 980 CE LYS A 61 0.332 12.360 -3.207 1.00 0.00 C ATOM 981 NZ LYS A 61 1.148 12.061 -4.413 1.00 0.00 N ATOM 0 H LYS A 61 0.324 7.441 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 61 1.164 8.418 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.434 9.739 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.476 10.315 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.091 10.471 -0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.906 10.228 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.499 12.429 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.019 12.650 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.578 11.761 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.026 13.406 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.687 12.466 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.095 12.477 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.233 11.031 -4.528 1.00 0.00 H new ATOM 995 N MET A 62 -1.058 7.978 0.872 1.00 0.00 N ATOM 996 CA MET A 62 -2.277 7.553 1.529 1.00 0.00 C ATOM 997 C MET A 62 -3.294 8.690 1.456 1.00 0.00 C ATOM 998 O MET A 62 -2.906 9.855 1.368 1.00 0.00 O ATOM 999 CB MET A 62 -1.969 7.168 2.981 1.00 0.00 C ATOM 1000 CG MET A 62 -3.124 6.501 3.709 1.00 0.00 C ATOM 1001 SD MET A 62 -2.631 5.800 5.300 1.00 0.00 S ATOM 1002 CE MET A 62 -1.822 7.197 6.078 1.00 0.00 C ATOM 0 H MET A 62 -0.381 8.430 1.487 1.00 0.00 H new ATOM 0 HA MET A 62 -2.696 6.677 1.033 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.111 6.496 2.992 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.679 8.065 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.918 7.231 3.868 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.537 5.712 3.081 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.972 7.150 7.157 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.755 7.168 5.858 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.247 8.124 5.693 1.00 0.00 H new ATOM 1012 N SER A 63 -4.582 8.354 1.479 1.00 0.00 N ATOM 1013 CA SER A 63 -5.653 9.344 1.338 1.00 0.00 C ATOM 1014 C SER A 63 -5.566 10.434 2.412 1.00 0.00 C ATOM 1015 O SER A 63 -6.057 11.546 2.220 1.00 0.00 O ATOM 1016 CB SER A 63 -7.018 8.642 1.390 1.00 0.00 C ATOM 1017 OG SER A 63 -8.087 9.535 1.107 1.00 0.00 O ATOM 0 H SER A 63 -4.913 7.396 1.595 1.00 0.00 H new ATOM 0 HA SER A 63 -5.535 9.834 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.031 7.822 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.163 8.204 2.378 1.00 0.00 H new ATOM 0 HG SER A 63 -8.938 9.050 1.148 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.935 10.116 3.537 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.724 11.094 4.601 1.00 0.00 C ATOM 1025 C ASP A 64 -3.818 12.234 4.125 1.00 0.00 C ATOM 1026 O ASP A 64 -3.823 13.324 4.693 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.106 10.414 5.825 1.00 0.00 C ATOM 1028 CG ASP A 64 -3.964 11.353 7.008 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -2.919 12.024 7.125 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -4.898 11.419 7.833 1.00 0.00 O ATOM 0 H ASP A 64 -4.560 9.189 3.737 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.692 11.515 4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.724 9.564 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.125 10.020 5.560 1.00 0.00 H new ATOM 1035 N GLY A 65 -3.062 11.979 3.064 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.121 12.961 2.565 1.00 0.00 C ATOM 1037 C GLY A 65 -0.698 12.578 2.902 1.00 0.00 C ATOM 1038 O GLY A 65 0.251 13.277 2.545 1.00 0.00 O ATOM 0 H GLY A 65 -3.085 11.105 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.229 13.055 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.349 13.937 2.994 1.00 0.00 H new ATOM 1042 N THR A 66 -0.561 11.460 3.597 1.00 0.00 N ATOM 1043 CA THR A 66 0.736 10.965 4.012 1.00 0.00 C ATOM 1044 C THR A 66 1.502 10.383 2.830 1.00 0.00 C ATOM 1045 O THR A 66 1.022 9.467 2.157 1.00 0.00 O ATOM 1046 CB THR A 66 0.577 9.878 5.089 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.398 10.290 6.056 1.00 0.00 O ATOM 1048 CG2 THR A 66 1.901 9.607 5.784 1.00 0.00 C ATOM 0 H THR A 66 -1.344 10.874 3.887 1.00 0.00 H new ATOM 0 HA THR A 66 1.295 11.807 4.420 1.00 0.00 H new ATOM 0 HB THR A 66 0.246 8.960 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.497 9.594 6.738 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.763 8.835 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.634 9.270 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.257 10.521 6.259 1.00 0.00 H new ATOM 1056 N VAL A 67 2.680 10.929 2.566 1.00 0.00 N ATOM 1057 CA VAL A 67 3.566 10.367 1.564 1.00 0.00 C ATOM 1058 C VAL A 67 4.308 9.184 2.168 1.00 0.00 C ATOM 1059 O VAL A 67 4.996 9.325 3.177 1.00 0.00 O ATOM 1060 CB VAL A 67 4.583 11.408 1.043 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.466 10.804 -0.042 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.869 12.647 0.525 1.00 0.00 C ATOM 0 H VAL A 67 3.042 11.760 3.033 1.00 0.00 H new ATOM 0 HA VAL A 67 2.961 10.047 0.716 1.00 0.00 H new ATOM 0 HB VAL A 67 5.221 11.705 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.174 11.554 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.012 9.953 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.845 10.473 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.604 13.366 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.202 12.368 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.288 13.096 1.331 1.00 0.00 H new ATOM 1072 N LEU A 68 4.146 8.016 1.573 1.00 0.00 N ATOM 1073 CA LEU A 68 4.750 6.810 2.107 1.00 0.00 C ATOM 1074 C LEU A 68 6.139 6.600 1.515 1.00 0.00 C ATOM 1075 O LEU A 68 6.326 6.669 0.299 1.00 0.00 O ATOM 1076 CB LEU A 68 3.841 5.611 1.832 1.00 0.00 C ATOM 1077 CG LEU A 68 2.440 5.726 2.444 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.541 4.604 1.953 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.521 5.717 3.962 1.00 0.00 C ATOM 0 H LEU A 68 3.602 7.878 0.721 1.00 0.00 H new ATOM 0 HA LEU A 68 4.865 6.914 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.744 5.484 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.320 4.711 2.218 1.00 0.00 H new ATOM 0 HG LEU A 68 2.006 6.673 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.553 4.707 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.455 4.656 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.970 3.643 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.518 5.799 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.978 4.786 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.125 6.559 4.299 1.00 0.00 H new ATOM 1091 N LEU A 69 7.112 6.377 2.390 1.00 0.00 N ATOM 1092 CA LEU A 69 8.498 6.189 1.977 1.00 0.00 C ATOM 1093 C LEU A 69 8.886 4.715 2.055 1.00 0.00 C ATOM 1094 O LEU A 69 8.281 3.948 2.806 1.00 0.00 O ATOM 1095 CB LEU A 69 9.448 7.017 2.863 1.00 0.00 C ATOM 1096 CG LEU A 69 9.529 8.521 2.561 1.00 0.00 C ATOM 1097 CD1 LEU A 69 9.868 8.755 1.098 1.00 0.00 C ATOM 1098 CD2 LEU A 69 8.235 9.230 2.933 1.00 0.00 C ATOM 0 H LEU A 69 6.965 6.322 3.398 1.00 0.00 H new ATOM 0 HA LEU A 69 8.588 6.529 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.141 6.893 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.450 6.597 2.775 1.00 0.00 H new ATOM 0 HG LEU A 69 10.327 8.942 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.921 9.826 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.830 8.297 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.096 8.310 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.324 10.293 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.410 8.806 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.042 9.100 3.998 1.00 0.00 H new ATOM 1110 N PRO A 70 9.889 4.294 1.268 1.00 0.00 N ATOM 1111 CA PRO A 70 10.418 2.933 1.340 1.00 0.00 C ATOM 1112 C PRO A 70 11.163 2.687 2.651 1.00 0.00 C ATOM 1113 O PRO A 70 11.990 3.502 3.064 1.00 0.00 O ATOM 1114 CB PRO A 70 11.378 2.852 0.152 1.00 0.00 C ATOM 1115 CG PRO A 70 11.767 4.263 -0.126 1.00 0.00 C ATOM 1116 CD PRO A 70 10.575 5.104 0.243 1.00 0.00 C ATOM 0 HA PRO A 70 9.629 2.182 1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.249 2.242 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.897 2.397 -0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.642 4.549 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.028 4.396 -1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.875 6.076 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.933 5.291 -0.618 1.00 0.00 H new ATOM 1124 N ASN A 71 10.833 1.574 3.305 1.00 0.00 N ATOM 1125 CA ASN A 71 11.455 1.158 4.573 1.00 0.00 C ATOM 1126 C ASN A 71 10.966 1.990 5.758 1.00 0.00 C ATOM 1127 O ASN A 71 10.828 1.467 6.865 1.00 0.00 O ATOM 1128 CB ASN A 71 12.990 1.195 4.509 1.00 0.00 C ATOM 1129 CG ASN A 71 13.564 0.140 3.584 1.00 0.00 C ATOM 1130 OD1 ASN A 71 13.813 0.398 2.405 1.00 0.00 O ATOM 1131 ND2 ASN A 71 13.768 -1.059 4.106 1.00 0.00 N ATOM 0 H ASN A 71 10.120 0.926 2.971 1.00 0.00 H new ATOM 0 HA ASN A 71 11.144 0.125 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.312 2.181 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.395 1.052 5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.144 -1.810 3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.549 -1.232 5.087 1.00 0.00 H new ATOM 1138 N ASP A 72 10.711 3.274 5.535 1.00 0.00 N ATOM 1139 CA ASP A 72 10.207 4.143 6.592 1.00 0.00 C ATOM 1140 C ASP A 72 8.825 3.700 7.035 1.00 0.00 C ATOM 1141 O ASP A 72 8.006 3.271 6.223 1.00 0.00 O ATOM 1142 CB ASP A 72 10.182 5.606 6.152 1.00 0.00 C ATOM 1143 CG ASP A 72 11.515 6.290 6.377 1.00 0.00 C ATOM 1144 OD1 ASP A 72 11.792 6.686 7.532 1.00 0.00 O ATOM 1145 OD2 ASP A 72 12.298 6.422 5.409 1.00 0.00 O ATOM 0 H ASP A 72 10.844 3.735 4.635 1.00 0.00 H new ATOM 0 HA ASP A 72 10.889 4.061 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.920 5.662 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.405 6.137 6.702 1.00 0.00 H new ATOM 1150 N LEU A 73 8.568 3.814 8.327 1.00 0.00 N ATOM 1151 CA LEU A 73 7.364 3.250 8.908 1.00 0.00 C ATOM 1152 C LEU A 73 6.346 4.331 9.244 1.00 0.00 C ATOM 1153 O LEU A 73 6.667 5.318 9.904 1.00 0.00 O ATOM 1154 CB LEU A 73 7.719 2.469 10.170 1.00 0.00 C ATOM 1155 CG LEU A 73 6.604 1.583 10.709 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.243 0.526 9.681 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.021 0.940 12.023 1.00 0.00 C ATOM 0 H LEU A 73 9.177 4.291 8.992 1.00 0.00 H new ATOM 0 HA LEU A 73 6.916 2.582 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.590 1.847 9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.010 3.175 10.947 1.00 0.00 H new ATOM 0 HG LEU A 73 5.724 2.198 10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.445 -0.105 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.906 1.010 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.118 -0.087 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.212 0.311 12.393 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.911 0.331 11.864 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.240 1.717 12.755 1.00 0.00 H new ATOM 1169 N TYR A 74 5.119 4.131 8.792 1.00 0.00 N ATOM 1170 CA TYR A 74 4.029 5.045 9.099 1.00 0.00 C ATOM 1171 C TYR A 74 2.879 4.303 9.773 1.00 0.00 C ATOM 1172 O TYR A 74 2.523 3.201 9.362 1.00 0.00 O ATOM 1173 CB TYR A 74 3.543 5.748 7.829 1.00 0.00 C ATOM 1174 CG TYR A 74 4.470 6.850 7.367 1.00 0.00 C ATOM 1175 CD1 TYR A 74 4.337 8.138 7.864 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.482 6.603 6.446 1.00 0.00 C ATOM 1177 CE1 TYR A 74 5.181 9.152 7.458 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.335 7.614 6.036 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.178 8.886 6.547 1.00 0.00 C ATOM 1180 OH TYR A 74 7.020 9.901 6.148 1.00 0.00 O ATOM 0 H TYR A 74 4.851 3.339 8.208 1.00 0.00 H new ATOM 0 HA TYR A 74 4.401 5.801 9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.438 5.012 7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.553 6.167 8.009 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.559 8.351 8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.605 5.608 6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.060 10.150 7.853 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.118 7.408 5.321 1.00 0.00 H new ATOM 0 HH TYR A 74 7.951 9.605 6.230 1.00 0.00 H new ATOM 1190 N PRO A 75 2.304 4.881 10.838 1.00 0.00 N ATOM 1191 CA PRO A 75 1.168 4.287 11.546 1.00 0.00 C ATOM 1192 C PRO A 75 -0.137 4.464 10.778 1.00 0.00 C ATOM 1193 O PRO A 75 -0.393 5.525 10.205 1.00 0.00 O ATOM 1194 CB PRO A 75 1.114 5.060 12.875 1.00 0.00 C ATOM 1195 CG PRO A 75 2.306 5.962 12.882 1.00 0.00 C ATOM 1196 CD PRO A 75 2.713 6.148 11.450 1.00 0.00 C ATOM 0 HA PRO A 75 1.289 3.212 11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.191 5.634 12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.138 4.377 13.724 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.064 6.920 13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.119 5.525 13.462 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.211 7.001 10.993 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.785 6.319 11.352 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.958 3.422 10.763 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.242 3.470 10.074 1.00 0.00 C ATOM 1206 C LEU A 76 -3.298 4.140 10.949 1.00 0.00 C ATOM 1207 O LEU A 76 -3.619 3.653 12.035 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.695 2.060 9.682 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.840 1.378 8.611 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.324 -0.043 8.370 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.873 2.182 7.319 1.00 0.00 C ATOM 0 H LEU A 76 -0.758 2.532 11.220 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.119 4.061 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.698 1.435 10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.724 2.112 9.325 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.810 1.333 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.705 -0.513 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.253 -0.613 9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.361 -0.022 8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.261 1.686 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.900 2.254 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.482 3.183 7.503 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.838 5.280 10.491 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.859 6.032 11.221 1.00 0.00 C ATOM 1225 C PRO A 77 -6.273 5.542 10.910 1.00 0.00 C ATOM 1226 O PRO A 77 -7.258 6.077 11.424 1.00 0.00 O ATOM 1227 CB PRO A 77 -4.655 7.452 10.699 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.209 7.270 9.286 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.475 5.948 9.228 1.00 0.00 C ATOM 0 HA PRO A 77 -4.762 5.933 12.302 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.577 8.031 10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.908 7.987 11.285 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.062 7.269 8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.558 8.088 8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.781 5.359 8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.398 6.093 9.149 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.364 4.522 10.068 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.652 3.993 9.677 1.00 0.00 C ATOM 1239 C GLY A 78 -7.570 2.536 9.278 1.00 0.00 C ATOM 1240 O GLY A 78 -6.491 1.943 9.303 1.00 0.00 O ATOM 0 H GLY A 78 -5.563 4.050 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.355 4.104 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.045 4.575 8.844 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.705 1.960 8.922 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.763 0.562 8.511 1.00 0.00 C ATOM 1246 C GLU A 79 -9.393 0.436 7.127 1.00 0.00 C ATOM 1247 O GLU A 79 -9.239 -0.579 6.451 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.552 -0.248 9.542 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.956 0.280 9.774 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.566 -0.237 11.054 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -11.275 0.336 12.124 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -12.349 -1.209 11.000 1.00 0.00 O ATOM 0 H GLU A 79 -9.605 2.439 8.908 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.749 0.166 8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.611 -1.285 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.010 -0.246 10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.931 1.369 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.590 -0.003 8.934 1.00 0.00 H new ATOM 1259 N THR A 80 -10.103 1.479 6.715 1.00 0.00 N ATOM 1260 CA THR A 80 -10.721 1.523 5.400 1.00 0.00 C ATOM 1261 C THR A 80 -10.015 2.548 4.518 1.00 0.00 C ATOM 1262 O THR A 80 -10.621 3.155 3.632 1.00 0.00 O ATOM 1263 CB THR A 80 -12.213 1.881 5.516 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.378 3.015 6.383 1.00 0.00 O ATOM 1265 CG2 THR A 80 -13.012 0.705 6.055 1.00 0.00 C ATOM 0 H THR A 80 -10.265 2.312 7.281 1.00 0.00 H new ATOM 0 HA THR A 80 -10.629 0.536 4.946 1.00 0.00 H new ATOM 0 HB THR A 80 -12.584 2.126 4.521 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.330 3.239 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.064 0.982 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.907 -0.145 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.639 0.434 7.043 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.721 2.714 4.761 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.931 3.740 4.093 1.00 0.00 C ATOM 1275 C PHE A 81 -7.787 3.473 2.593 1.00 0.00 C ATOM 1276 O PHE A 81 -7.824 2.325 2.134 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.550 3.872 4.753 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.745 2.599 4.780 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.931 1.668 5.790 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.800 2.339 3.801 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.192 0.502 5.819 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -4.057 1.174 3.826 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.254 0.253 4.837 1.00 0.00 C ATOM 0 H PHE A 81 -8.192 2.145 5.422 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.467 4.683 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.980 4.636 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.683 4.225 5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.662 1.857 6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.642 3.056 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.348 -0.216 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.323 0.984 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.676 -0.659 4.859 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.631 4.552 1.840 1.00 0.00 N ATOM 1294 CA ARG A 82 -7.472 4.474 0.397 1.00 0.00 C ATOM 1295 C ARG A 82 -6.054 4.882 0.017 1.00 0.00 C ATOM 1296 O ARG A 82 -5.558 5.913 0.470 1.00 0.00 O ATOM 1297 CB ARG A 82 -8.482 5.397 -0.291 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.912 5.185 0.179 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.841 6.287 -0.308 1.00 0.00 C ATOM 1300 NE ARG A 82 -11.129 6.194 -1.741 1.00 0.00 N ATOM 1301 CZ ARG A 82 -12.325 6.449 -2.275 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -13.334 6.845 -1.505 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -12.511 6.327 -3.581 1.00 0.00 N ATOM 0 H ARG A 82 -7.611 5.502 2.211 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.651 3.449 0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.198 6.434 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.434 5.237 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.273 4.221 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.934 5.147 1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.776 6.240 0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.391 7.256 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.372 5.919 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.196 6.955 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.246 7.038 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.739 6.037 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.426 6.523 -3.986 1.00 0.00 H new ATOM 1317 N LEU A 83 -5.400 4.064 -0.788 1.00 0.00 N ATOM 1318 CA LEU A 83 -4.047 4.361 -1.238 1.00 0.00 C ATOM 1319 C LEU A 83 -4.067 4.871 -2.670 1.00 0.00 C ATOM 1320 O LEU A 83 -4.804 4.358 -3.508 1.00 0.00 O ATOM 1321 CB LEU A 83 -3.165 3.115 -1.142 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.973 2.561 0.271 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -2.172 1.271 0.233 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -2.285 3.587 1.159 1.00 0.00 C ATOM 0 H LEU A 83 -5.782 3.188 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.633 5.135 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.599 2.333 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.186 3.349 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.956 2.346 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.045 0.891 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.701 0.532 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.194 1.463 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.157 3.175 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.309 3.834 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.895 4.489 1.213 1.00 0.00 H new ATOM 1336 N TYR A 84 -3.271 5.886 -2.944 1.00 0.00 N ATOM 1337 CA TYR A 84 -3.183 6.443 -4.285 1.00 0.00 C ATOM 1338 C TYR A 84 -1.772 6.302 -4.827 1.00 0.00 C ATOM 1339 O TYR A 84 -0.865 7.054 -4.451 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.625 7.908 -4.290 1.00 0.00 C ATOM 1341 CG TYR A 84 -5.099 8.078 -4.006 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -6.036 7.934 -5.020 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.555 8.370 -2.726 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -7.385 8.074 -4.770 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.906 8.514 -2.467 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.815 8.364 -3.493 1.00 0.00 C ATOM 1347 OH TYR A 84 -9.161 8.496 -3.243 1.00 0.00 O ATOM 0 H TYR A 84 -2.674 6.344 -2.256 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.856 5.885 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.051 8.458 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.394 8.349 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.703 7.708 -6.022 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.844 8.486 -1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.101 7.957 -5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.247 8.742 -1.468 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.644 7.745 -3.647 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.586 5.331 -5.706 1.00 0.00 N ATOM 1358 CA TYR A 85 -0.275 5.059 -6.262 1.00 0.00 C ATOM 1359 C TYR A 85 -0.145 5.650 -7.657 1.00 0.00 C ATOM 1360 O TYR A 85 -0.870 5.278 -8.578 1.00 0.00 O ATOM 1361 CB TYR A 85 -0.004 3.555 -6.305 1.00 0.00 C ATOM 1362 CG TYR A 85 1.394 3.215 -6.775 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.487 3.394 -5.938 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.620 2.723 -8.055 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.766 3.095 -6.362 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.898 2.421 -8.485 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.967 2.610 -7.634 1.00 0.00 C ATOM 1368 OH TYR A 85 5.245 2.312 -8.050 1.00 0.00 O ATOM 0 H TYR A 85 -2.327 4.719 -6.048 1.00 0.00 H new ATOM 0 HA TYR A 85 0.465 5.529 -5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.158 3.136 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.728 3.080 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.334 3.774 -4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.785 2.575 -8.723 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.605 3.241 -5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.059 2.039 -9.482 1.00 0.00 H new ATOM 0 HH TYR A 85 5.346 2.552 -8.995 1.00 0.00 H new ATOM 1378 N THR A 86 0.781 6.577 -7.794 1.00 0.00 N ATOM 1379 CA THR A 86 1.074 7.194 -9.069 1.00 0.00 C ATOM 1380 C THR A 86 2.303 6.541 -9.686 1.00 0.00 C ATOM 1381 O THR A 86 3.379 6.521 -9.081 1.00 0.00 O ATOM 1382 CB THR A 86 1.317 8.705 -8.903 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.262 9.280 -8.119 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.380 9.400 -10.254 1.00 0.00 C ATOM 0 H THR A 86 1.352 6.923 -7.023 1.00 0.00 H new ATOM 0 HA THR A 86 0.216 7.052 -9.726 1.00 0.00 H new ATOM 0 HB THR A 86 2.273 8.844 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.420 10.241 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.552 10.466 -10.107 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.195 8.978 -10.842 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.438 9.254 -10.782 1.00 0.00 H new ATOM 1392 N SER A 87 2.134 5.989 -10.876 1.00 0.00 N ATOM 1393 CA SER A 87 3.215 5.290 -11.548 1.00 0.00 C ATOM 1394 C SER A 87 4.218 6.282 -12.126 1.00 0.00 C ATOM 1395 O SER A 87 3.843 7.203 -12.854 1.00 0.00 O ATOM 1396 CB SER A 87 2.652 4.408 -12.663 1.00 0.00 C ATOM 1397 OG SER A 87 3.650 3.564 -13.212 1.00 0.00 O ATOM 0 H SER A 87 1.257 6.012 -11.397 1.00 0.00 H new ATOM 0 HA SER A 87 3.728 4.663 -10.819 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.836 3.801 -12.271 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.233 5.036 -13.449 1.00 0.00 H new ATOM 0 HG SER A 87 4.109 4.031 -13.941 1.00 0.00 H new ATOM 1403 N ALA A 88 5.485 6.104 -11.785 1.00 0.00 N ATOM 1404 CA ALA A 88 6.542 6.947 -12.323 1.00 0.00 C ATOM 1405 C ALA A 88 7.422 6.146 -13.272 1.00 0.00 C ATOM 1406 O ALA A 88 8.334 6.682 -13.902 1.00 0.00 O ATOM 1407 CB ALA A 88 7.373 7.550 -11.200 1.00 0.00 C ATOM 0 H ALA A 88 5.806 5.384 -11.138 1.00 0.00 H new ATOM 0 HA ALA A 88 6.084 7.764 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.158 8.177 -11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.733 8.155 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.825 6.751 -10.612 1.00 0.00 H new ATOM 1413 N SER A 89 7.138 4.857 -13.372 1.00 0.00 N ATOM 1414 CA SER A 89 7.868 3.981 -14.268 1.00 0.00 C ATOM 1415 C SER A 89 6.953 3.511 -15.389 1.00 0.00 C ATOM 1416 O SER A 89 5.742 3.385 -15.200 1.00 0.00 O ATOM 1417 CB SER A 89 8.429 2.776 -13.504 1.00 0.00 C ATOM 1418 OG SER A 89 9.170 1.920 -14.360 1.00 0.00 O ATOM 0 H SER A 89 6.402 4.394 -12.839 1.00 0.00 H new ATOM 0 HA SER A 89 8.703 4.536 -14.697 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.068 3.123 -12.692 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.610 2.218 -13.049 1.00 0.00 H new ATOM 0 HG SER A 89 9.516 1.162 -13.844 1.00 0.00 H new ATOM 1424 N THR A 90 7.531 3.280 -16.554 1.00 0.00 N ATOM 1425 CA THR A 90 6.780 2.771 -17.686 1.00 0.00 C ATOM 1426 C THR A 90 7.228 1.347 -17.994 1.00 0.00 C ATOM 1427 O THR A 90 6.844 0.756 -19.006 1.00 0.00 O ATOM 1428 CB THR A 90 6.964 3.675 -18.931 1.00 0.00 C ATOM 1429 OG1 THR A 90 6.088 3.265 -19.987 1.00 0.00 O ATOM 1430 CG2 THR A 90 8.404 3.647 -19.427 1.00 0.00 C ATOM 0 H THR A 90 8.521 3.438 -16.741 1.00 0.00 H new ATOM 0 HA THR A 90 5.721 2.771 -17.430 1.00 0.00 H new ATOM 0 HB THR A 90 6.717 4.694 -18.633 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.046 2.286 -20.016 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.500 4.291 -20.301 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.067 4.003 -18.639 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.676 2.627 -19.696 1.00 0.00 H new ATOM 1438 N ASP A 91 8.044 0.804 -17.101 1.00 0.00 N ATOM 1439 CA ASP A 91 8.601 -0.530 -17.270 1.00 0.00 C ATOM 1440 C ASP A 91 8.012 -1.474 -16.237 1.00 0.00 C ATOM 1441 O ASP A 91 7.008 -1.155 -15.600 1.00 0.00 O ATOM 1442 CB ASP A 91 10.123 -0.496 -17.103 1.00 0.00 C ATOM 1443 CG ASP A 91 10.805 0.459 -18.059 1.00 0.00 C ATOM 1444 OD1 ASP A 91 10.969 0.105 -19.247 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.185 1.567 -17.621 1.00 0.00 O ATOM 0 H ASP A 91 8.337 1.273 -16.244 1.00 0.00 H new ATOM 0 HA ASP A 91 8.354 -0.881 -18.272 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.364 -0.209 -16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.522 -1.499 -17.255 1.00 0.00 H new ATOM 1450 N GLN A 92 8.639 -2.636 -16.078 1.00 0.00 N ATOM 1451 CA GLN A 92 8.270 -3.571 -15.024 1.00 0.00 C ATOM 1452 C GLN A 92 8.364 -2.869 -13.678 1.00 0.00 C ATOM 1453 O GLN A 92 9.434 -2.408 -13.287 1.00 0.00 O ATOM 1454 CB GLN A 92 9.195 -4.793 -15.050 1.00 0.00 C ATOM 1455 CG GLN A 92 8.739 -5.920 -14.138 1.00 0.00 C ATOM 1456 CD GLN A 92 7.369 -6.443 -14.515 1.00 0.00 C ATOM 1457 OE1 GLN A 92 6.975 -6.396 -15.680 1.00 0.00 O ATOM 1458 NE2 GLN A 92 6.630 -6.940 -13.538 1.00 0.00 N ATOM 0 H GLN A 92 9.408 -2.952 -16.669 1.00 0.00 H new ATOM 0 HA GLN A 92 7.247 -3.912 -15.185 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.260 -5.167 -16.072 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.199 -4.485 -14.759 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.462 -6.735 -14.181 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.720 -5.566 -13.107 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.992 -6.961 -12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.698 -7.302 -13.737 1.00 0.00 H new ATOM 1467 N GLN A 93 7.243 -2.768 -12.987 1.00 0.00 N ATOM 1468 CA GLN A 93 7.177 -2.002 -11.757 1.00 0.00 C ATOM 1469 C GLN A 93 6.783 -2.905 -10.596 1.00 0.00 C ATOM 1470 O GLN A 93 5.679 -3.453 -10.566 1.00 0.00 O ATOM 1471 CB GLN A 93 6.181 -0.856 -11.930 1.00 0.00 C ATOM 1472 CG GLN A 93 6.170 0.151 -10.793 1.00 0.00 C ATOM 1473 CD GLN A 93 5.366 1.388 -11.145 1.00 0.00 C ATOM 1474 OE1 GLN A 93 5.642 2.486 -10.663 1.00 0.00 O ATOM 1475 NE2 GLN A 93 4.368 1.220 -11.994 1.00 0.00 N ATOM 0 H GLN A 93 6.364 -3.208 -13.258 1.00 0.00 H new ATOM 0 HA GLN A 93 8.157 -1.581 -11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.408 -0.333 -12.859 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.180 -1.275 -12.036 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.751 -0.313 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.193 0.439 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.171 0.293 -12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.795 2.017 -12.272 1.00 0.00 H new ATOM 1484 N THR A 94 7.703 -3.078 -9.660 1.00 0.00 N ATOM 1485 CA THR A 94 7.497 -3.976 -8.540 1.00 0.00 C ATOM 1486 C THR A 94 7.399 -3.207 -7.227 1.00 0.00 C ATOM 1487 O THR A 94 8.318 -2.476 -6.859 1.00 0.00 O ATOM 1488 CB THR A 94 8.664 -4.971 -8.448 1.00 0.00 C ATOM 1489 OG1 THR A 94 9.101 -5.311 -9.771 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.250 -6.232 -7.705 1.00 0.00 C ATOM 0 H THR A 94 8.606 -2.603 -9.657 1.00 0.00 H new ATOM 0 HA THR A 94 6.560 -4.508 -8.706 1.00 0.00 H new ATOM 0 HB THR A 94 9.478 -4.502 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.666 -4.592 -10.124 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.095 -6.919 -7.655 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.933 -5.972 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.425 -6.710 -8.232 1.00 0.00 H new ATOM 1498 N VAL A 95 6.281 -3.365 -6.530 1.00 0.00 N ATOM 1499 CA VAL A 95 6.084 -2.712 -5.241 1.00 0.00 C ATOM 1500 C VAL A 95 5.661 -3.732 -4.189 1.00 0.00 C ATOM 1501 O VAL A 95 4.582 -4.314 -4.282 1.00 0.00 O ATOM 1502 CB VAL A 95 5.018 -1.594 -5.324 1.00 0.00 C ATOM 1503 CG1 VAL A 95 4.875 -0.878 -3.989 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.359 -0.602 -6.426 1.00 0.00 C ATOM 0 H VAL A 95 5.496 -3.940 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 95 7.035 -2.261 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 95 4.063 -2.060 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.120 -0.097 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.573 -1.593 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.830 -0.431 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.595 0.175 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.328 -0.148 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.398 -1.121 -7.384 1.00 0.00 H new ATOM 1514 N ASP A 96 6.517 -3.961 -3.204 1.00 0.00 N ATOM 1515 CA ASP A 96 6.212 -4.905 -2.133 1.00 0.00 C ATOM 1516 C ASP A 96 5.804 -4.137 -0.881 1.00 0.00 C ATOM 1517 O ASP A 96 6.611 -3.410 -0.300 1.00 0.00 O ATOM 1518 CB ASP A 96 7.430 -5.786 -1.838 1.00 0.00 C ATOM 1519 CG ASP A 96 7.058 -7.118 -1.212 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.808 -7.171 0.005 1.00 0.00 O ATOM 1521 OD2 ASP A 96 7.045 -8.131 -1.944 1.00 0.00 O ATOM 0 H ASP A 96 7.427 -3.508 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 96 5.389 -5.548 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.975 -5.965 -2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.105 -5.252 -1.169 1.00 0.00 H new ATOM 1526 N VAL A 97 4.550 -4.267 -0.483 1.00 0.00 N ATOM 1527 CA VAL A 97 4.033 -3.508 0.648 1.00 0.00 C ATOM 1528 C VAL A 97 3.921 -4.388 1.888 1.00 0.00 C ATOM 1529 O VAL A 97 3.290 -5.445 1.856 1.00 0.00 O ATOM 1530 CB VAL A 97 2.652 -2.894 0.336 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.184 -2.003 1.477 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.698 -2.111 -0.968 1.00 0.00 C ATOM 0 H VAL A 97 3.871 -4.888 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 97 4.740 -2.701 0.838 1.00 0.00 H new ATOM 0 HB VAL A 97 1.936 -3.708 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.209 -1.582 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.107 -2.592 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.901 -1.195 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.715 -1.685 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.431 -1.309 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.981 -2.778 -1.783 1.00 0.00 H new ATOM 1542 N TYR A 98 4.528 -3.940 2.977 1.00 0.00 N ATOM 1543 CA TYR A 98 4.528 -4.696 4.220 1.00 0.00 C ATOM 1544 C TYR A 98 3.586 -4.066 5.240 1.00 0.00 C ATOM 1545 O TYR A 98 3.719 -2.889 5.582 1.00 0.00 O ATOM 1546 CB TYR A 98 5.939 -4.754 4.814 1.00 0.00 C ATOM 1547 CG TYR A 98 6.979 -5.352 3.895 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.702 -4.553 3.019 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.242 -6.716 3.908 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.656 -5.095 2.179 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.194 -7.267 3.073 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.898 -6.454 2.210 1.00 0.00 C ATOM 1553 OH TYR A 98 9.843 -7.007 1.374 1.00 0.00 O ATOM 0 H TYR A 98 5.029 -3.053 3.025 1.00 0.00 H new ATOM 0 HA TYR A 98 4.186 -5.705 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.248 -3.744 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.909 -5.335 5.735 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.515 -3.490 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.693 -7.356 4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.209 -4.460 1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.386 -8.330 3.096 1.00 0.00 H new ATOM 0 HH TYR A 98 9.888 -7.974 1.525 1.00 0.00 H new ATOM 1563 N PHE A 99 2.643 -4.854 5.725 1.00 0.00 N ATOM 1564 CA PHE A 99 1.770 -4.423 6.804 1.00 0.00 C ATOM 1565 C PHE A 99 2.125 -5.186 8.069 1.00 0.00 C ATOM 1566 O PHE A 99 1.958 -6.404 8.132 1.00 0.00 O ATOM 1567 CB PHE A 99 0.301 -4.664 6.449 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.212 -3.814 5.321 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.675 -2.532 5.561 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.244 -4.303 4.026 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.158 -1.750 4.531 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.728 -3.526 2.990 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.185 -2.248 3.243 1.00 0.00 C ATOM 0 H PHE A 99 2.461 -5.799 5.388 1.00 0.00 H new ATOM 0 HA PHE A 99 1.910 -3.354 6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.171 -5.714 6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.309 -4.480 7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.658 -2.138 6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.113 -5.302 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.514 -0.750 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.749 -3.918 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.563 -1.639 2.435 1.00 0.00 H new ATOM 1583 N GLN A 100 2.637 -4.479 9.064 1.00 0.00 N ATOM 1584 CA GLN A 100 3.091 -5.128 10.283 1.00 0.00 C ATOM 1585 C GLN A 100 2.258 -4.705 11.485 1.00 0.00 C ATOM 1586 O GLN A 100 1.801 -3.564 11.579 1.00 0.00 O ATOM 1587 CB GLN A 100 4.575 -4.848 10.530 1.00 0.00 C ATOM 1588 CG GLN A 100 4.930 -3.373 10.611 1.00 0.00 C ATOM 1589 CD GLN A 100 6.418 -3.137 10.803 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.829 -2.150 11.406 1.00 0.00 O ATOM 1591 NE2 GLN A 100 7.241 -4.036 10.284 1.00 0.00 N ATOM 0 H GLN A 100 2.748 -3.465 9.052 1.00 0.00 H new ATOM 0 HA GLN A 100 2.960 -6.202 10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.874 -5.333 11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 100 5.157 -5.306 9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.602 -2.874 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.385 -2.917 11.437 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.866 -4.845 9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.250 -3.919 10.380 1.00 0.00 H new ATOM 1600 N ASP A 101 2.065 -5.647 12.388 1.00 0.00 N ATOM 1601 CA ASP A 101 1.275 -5.429 13.591 1.00 0.00 C ATOM 1602 C ASP A 101 2.185 -5.377 14.819 1.00 0.00 C ATOM 1603 O ASP A 101 3.321 -5.849 14.770 1.00 0.00 O ATOM 1604 CB ASP A 101 0.243 -6.553 13.733 1.00 0.00 C ATOM 1605 CG ASP A 101 -0.524 -6.489 15.033 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.481 -5.700 15.124 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -0.149 -7.210 15.975 1.00 0.00 O ATOM 0 H ASP A 101 2.451 -6.588 12.311 1.00 0.00 H new ATOM 0 HA ASP A 101 0.753 -4.475 13.513 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.459 -6.502 12.901 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.750 -7.515 13.664 1.00 0.00 H new ATOM 1612 N SER A 102 1.679 -4.819 15.916 1.00 0.00 N ATOM 1613 CA SER A 102 2.465 -4.644 17.132 1.00 0.00 C ATOM 1614 C SER A 102 2.848 -5.986 17.765 1.00 0.00 C ATOM 1615 O SER A 102 3.858 -6.079 18.464 1.00 0.00 O ATOM 1616 CB SER A 102 1.688 -3.797 18.140 1.00 0.00 C ATOM 1617 OG SER A 102 1.349 -2.532 17.590 1.00 0.00 O ATOM 0 H SER A 102 0.720 -4.478 15.986 1.00 0.00 H new ATOM 0 HA SER A 102 3.387 -4.133 16.856 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.781 -4.322 18.439 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.286 -3.657 19.040 1.00 0.00 H new ATOM 0 HG SER A 102 0.846 -2.661 16.759 1.00 0.00 H new ATOM 1623 N PHE A 103 2.056 -7.023 17.512 1.00 0.00 N ATOM 1624 CA PHE A 103 2.316 -8.335 18.094 1.00 0.00 C ATOM 1625 C PHE A 103 3.419 -9.054 17.319 1.00 0.00 C ATOM 1626 O PHE A 103 4.101 -9.930 17.855 1.00 0.00 O ATOM 1627 CB PHE A 103 1.036 -9.178 18.101 1.00 0.00 C ATOM 1628 CG PHE A 103 1.169 -10.495 18.815 1.00 0.00 C ATOM 1629 CD1 PHE A 103 0.962 -10.578 20.182 1.00 0.00 C ATOM 1630 CD2 PHE A 103 1.492 -11.651 18.119 1.00 0.00 C ATOM 1631 CE1 PHE A 103 1.073 -11.787 20.842 1.00 0.00 C ATOM 1632 CE2 PHE A 103 1.606 -12.862 18.773 1.00 0.00 C ATOM 1633 CZ PHE A 103 1.395 -12.930 20.136 1.00 0.00 C ATOM 0 H PHE A 103 1.233 -6.981 16.911 1.00 0.00 H new ATOM 0 HA PHE A 103 2.649 -8.197 19.123 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.238 -8.602 18.570 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.732 -9.365 17.071 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.711 -9.687 20.739 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.656 -11.603 17.053 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.908 -11.838 21.908 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.860 -13.754 18.220 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.482 -13.876 20.650 1.00 0.00 H new ATOM 1643 N GLY A 104 3.602 -8.666 16.064 1.00 0.00 N ATOM 1644 CA GLY A 104 4.632 -9.279 15.249 1.00 0.00 C ATOM 1645 C GLY A 104 4.106 -9.809 13.931 1.00 0.00 C ATOM 1646 O GLY A 104 4.874 -10.314 13.111 1.00 0.00 O ATOM 0 H GLY A 104 3.058 -7.940 15.597 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.416 -8.548 15.053 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.090 -10.096 15.806 1.00 0.00 H new ATOM 1650 N GLN A 105 2.795 -9.704 13.728 1.00 0.00 N ATOM 1651 CA GLN A 105 2.178 -10.155 12.486 1.00 0.00 C ATOM 1652 C GLN A 105 2.697 -9.336 11.308 1.00 0.00 C ATOM 1653 O GLN A 105 2.916 -8.130 11.428 1.00 0.00 O ATOM 1654 CB GLN A 105 0.654 -10.040 12.563 1.00 0.00 C ATOM 1655 CG GLN A 105 0.018 -10.856 13.683 1.00 0.00 C ATOM 1656 CD GLN A 105 0.222 -12.356 13.531 1.00 0.00 C ATOM 1657 OE1 GLN A 105 0.334 -12.831 12.298 1.00 0.00 O flip ATOM 1658 NE2 GLN A 105 0.267 -13.090 14.519 1.00 0.00 N flip ATOM 0 H GLN A 105 2.142 -9.312 14.406 1.00 0.00 H new ATOM 0 HA GLN A 105 2.442 -11.202 12.338 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.387 -8.992 12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.229 -10.358 11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.435 -10.535 14.638 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.051 -10.644 13.715 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.178 -12.693 15.454 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.394 -14.095 14.402 1.00 0.00 H new ATOM 1667 N LEU A 106 2.887 -9.994 10.175 1.00 0.00 N ATOM 1668 CA LEU A 106 3.435 -9.345 8.997 1.00 0.00 C ATOM 1669 C LEU A 106 2.746 -9.882 7.747 1.00 0.00 C ATOM 1670 O LEU A 106 2.831 -11.074 7.443 1.00 0.00 O ATOM 1671 CB LEU A 106 4.959 -9.582 8.933 1.00 0.00 C ATOM 1672 CG LEU A 106 5.760 -8.713 7.943 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.499 -9.118 6.501 1.00 0.00 C ATOM 1674 CD2 LEU A 106 5.439 -7.242 8.146 1.00 0.00 C ATOM 0 H LEU A 106 2.668 -10.982 10.047 1.00 0.00 H new ATOM 0 HA LEU A 106 3.257 -8.271 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.369 -9.425 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.129 -10.629 8.680 1.00 0.00 H new ATOM 0 HG LEU A 106 6.819 -8.875 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.081 -8.483 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.790 -10.159 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.438 -9.004 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.013 -6.643 7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.374 -7.076 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.699 -6.950 9.164 1.00 0.00 H new ATOM 1686 N GLN A 107 2.046 -9.009 7.042 1.00 0.00 N ATOM 1687 CA GLN A 107 1.434 -9.372 5.775 1.00 0.00 C ATOM 1688 C GLN A 107 2.096 -8.597 4.643 1.00 0.00 C ATOM 1689 O GLN A 107 2.061 -7.364 4.621 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.070 -9.087 5.788 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.785 -9.603 4.549 1.00 0.00 C ATOM 1692 CD GLN A 107 -2.220 -9.125 4.446 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -3.143 -9.766 4.950 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.420 -7.997 3.782 1.00 0.00 N ATOM 0 H GLN A 107 1.887 -8.042 7.326 1.00 0.00 H new ATOM 0 HA GLN A 107 1.577 -10.441 5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.513 -9.544 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.229 -8.012 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.238 -9.284 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.771 -10.693 4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.629 -7.495 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.365 -7.630 3.673 1.00 0.00 H new ATOM 1703 N GLN A 108 2.706 -9.318 3.717 1.00 0.00 N ATOM 1704 CA GLN A 108 3.388 -8.693 2.594 1.00 0.00 C ATOM 1705 C GLN A 108 2.574 -8.840 1.312 1.00 0.00 C ATOM 1706 O GLN A 108 2.169 -9.945 0.939 1.00 0.00 O ATOM 1707 CB GLN A 108 4.789 -9.287 2.411 1.00 0.00 C ATOM 1708 CG GLN A 108 4.808 -10.797 2.224 1.00 0.00 C ATOM 1709 CD GLN A 108 6.207 -11.344 2.018 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.185 -10.791 2.521 1.00 0.00 O ATOM 1711 NE2 GLN A 108 6.313 -12.442 1.286 1.00 0.00 N ATOM 0 H GLN A 108 2.743 -10.337 3.720 1.00 0.00 H new ATOM 0 HA GLN A 108 3.491 -7.630 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.259 -8.819 1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.396 -9.032 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.361 -11.273 3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.189 -11.060 1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.478 -12.871 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.229 -12.859 1.122 1.00 0.00 H new ATOM 1720 N LEU A 109 2.324 -7.722 0.655 1.00 0.00 N ATOM 1721 CA LEU A 109 1.581 -7.715 -0.597 1.00 0.00 C ATOM 1722 C LEU A 109 2.482 -7.255 -1.735 1.00 0.00 C ATOM 1723 O LEU A 109 2.878 -6.090 -1.793 1.00 0.00 O ATOM 1724 CB LEU A 109 0.360 -6.795 -0.493 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.662 -7.176 0.584 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.781 -6.152 0.640 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.229 -8.563 0.322 1.00 0.00 C ATOM 0 H LEU A 109 2.626 -6.800 0.969 1.00 0.00 H new ATOM 0 HA LEU A 109 1.236 -8.729 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.707 -5.780 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.145 -6.779 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.152 -7.189 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.498 -6.438 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.366 -5.172 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.284 -6.109 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.952 -8.813 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.721 -8.577 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.421 -9.294 0.330 1.00 0.00 H new ATOM 1739 N THR A 110 2.819 -8.173 -2.625 1.00 0.00 N ATOM 1740 CA THR A 110 3.685 -7.858 -3.749 1.00 0.00 C ATOM 1741 C THR A 110 2.863 -7.464 -4.974 1.00 0.00 C ATOM 1742 O THR A 110 2.139 -8.286 -5.538 1.00 0.00 O ATOM 1743 CB THR A 110 4.579 -9.062 -4.104 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.151 -9.613 -2.910 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.691 -8.648 -5.058 1.00 0.00 C ATOM 0 H THR A 110 2.506 -9.143 -2.591 1.00 0.00 H new ATOM 0 HA THR A 110 4.314 -7.018 -3.455 1.00 0.00 H new ATOM 0 HB THR A 110 3.961 -9.814 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.573 -8.898 -2.389 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.309 -9.514 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.255 -8.252 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.306 -7.881 -4.588 1.00 0.00 H new ATOM 1753 N PHE A 111 2.975 -6.209 -5.377 1.00 0.00 N ATOM 1754 CA PHE A 111 2.272 -5.716 -6.552 1.00 0.00 C ATOM 1755 C PHE A 111 3.195 -5.718 -7.765 1.00 0.00 C ATOM 1756 O PHE A 111 4.238 -5.058 -7.768 1.00 0.00 O ATOM 1757 CB PHE A 111 1.731 -4.304 -6.310 1.00 0.00 C ATOM 1758 CG PHE A 111 0.665 -4.236 -5.250 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.664 -4.462 -5.572 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.992 -3.944 -3.935 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.648 -4.399 -4.602 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.013 -3.879 -2.962 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.309 -4.107 -3.296 1.00 0.00 C ATOM 0 H PHE A 111 3.549 -5.509 -4.906 1.00 0.00 H new ATOM 0 HA PHE A 111 1.431 -6.382 -6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.557 -3.653 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.327 -3.915 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.934 -4.690 -6.592 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.023 -3.765 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.680 -4.578 -4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.280 -3.650 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.075 -4.057 -2.537 1.00 0.00 H new ATOM 1773 N SER A 112 2.816 -6.474 -8.784 1.00 0.00 N ATOM 1774 CA SER A 112 3.590 -6.557 -10.011 1.00 0.00 C ATOM 1775 C SER A 112 2.862 -5.837 -11.142 1.00 0.00 C ATOM 1776 O SER A 112 1.811 -6.282 -11.600 1.00 0.00 O ATOM 1777 CB SER A 112 3.825 -8.023 -10.385 1.00 0.00 C ATOM 1778 OG SER A 112 4.360 -8.744 -9.286 1.00 0.00 O ATOM 0 H SER A 112 1.969 -7.043 -8.784 1.00 0.00 H new ATOM 0 HA SER A 112 4.554 -6.075 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.886 -8.477 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.509 -8.082 -11.232 1.00 0.00 H new ATOM 0 HG SER A 112 4.501 -9.678 -9.545 1.00 0.00 H new ATOM 1784 N PHE A 113 3.413 -4.713 -11.574 1.00 0.00 N ATOM 1785 CA PHE A 113 2.820 -3.949 -12.661 1.00 0.00 C ATOM 1786 C PHE A 113 3.565 -4.208 -13.963 1.00 0.00 C ATOM 1787 O PHE A 113 4.672 -4.750 -13.947 1.00 0.00 O ATOM 1788 CB PHE A 113 2.833 -2.451 -12.340 1.00 0.00 C ATOM 1789 CG PHE A 113 2.049 -2.087 -11.110 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.664 -2.098 -11.127 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.698 -1.732 -9.938 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.059 -1.763 -9.998 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.981 -1.394 -8.807 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.600 -1.409 -8.837 1.00 0.00 C ATOM 0 H PHE A 113 4.268 -4.310 -11.190 1.00 0.00 H new ATOM 0 HA PHE A 113 1.785 -4.272 -12.777 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.865 -2.126 -12.211 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.430 -1.903 -13.192 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.143 -2.371 -12.033 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.778 -1.720 -9.909 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.139 -1.778 -10.023 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.499 -1.118 -7.900 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.037 -1.144 -7.954 1.00 0.00 H new