USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 65 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: B 13 ASN : amide:sc= -0.327 K(o=-0.33,f=-3!) USER MOD Set 2.1: A 61 CYS SG : rot -56:sc= -0.818 USER MOD Set 2.2: A 76 SER OG : rot 180:sc= -0.218 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -5.74! C(o=-5.4!,f=-7.8!) USER MOD Set 3.2: A 19 THR OG1 : rot -8:sc= 0.314 USER MOD Single : A 16 ASN : amide:sc= -0.0903 K(o=-0.09,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.937 F(o=-3.6!,f=-0.94) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -139:sc= -0.206 (180deg=-3.04!) USER MOD Single : A 41 THR OG1 : rot 9:sc= 0.996 USER MOD Single : A 42 GLN : amide:sc=-0.00313 X(o=-0.0031,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.177 USER MOD Single : A 48 HIS : no HD1:sc= 0.421 K(o=0.42,f=-1.4!) USER MOD Single : A 59 TYR OH : rot 145:sc= -0.796 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 70 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.32) USER MOD Single : A 73 SER OG : rot 49:sc= 0.0734 USER MOD Single : A 80 CYS SG : rot -92:sc= -1.39 USER MOD Single : A 81 GLN : amide:sc= -0.0899 X(o=-0.09,f=-0.5) USER MOD Single : A 82 THR OG1 : rot 90:sc= 0.209 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 90 LYS NZ :NH3+ 149:sc= 0.723 (180deg=-0.0728) USER MOD Single : A 91 CYS SG : rot 60:sc= -0.309 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.89 K(o=-1.9,f=-3.8!) USER MOD Single : A 102 GLN : amide:sc=-0.000612 K(o=-0.00061,f=-1.7!) USER MOD Single : A 105 MET CE :methyl 166:sc= -1.24 (180deg=-1.92) USER MOD Single : B 6 HIS : no HE2:sc= 0.0462 K(o=0.046,f=-2.9) USER MOD Single : B 9 CYS SG : rot 170:sc= 0.00491 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.987 11.531 -7.495 1.00 0.00 N ATOM 163 CA PRO A 14 16.016 11.436 -8.589 1.00 0.00 C ATOM 164 C PRO A 14 14.627 11.043 -8.098 1.00 0.00 C ATOM 165 O PRO A 14 14.481 10.448 -7.030 1.00 0.00 O ATOM 166 CB PRO A 14 16.596 10.340 -9.485 1.00 0.00 C ATOM 167 CG PRO A 14 17.429 9.506 -8.573 1.00 0.00 C ATOM 168 CD PRO A 14 17.986 10.450 -7.544 1.00 0.00 C ATOM 0 HA PRO A 14 15.879 12.391 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.806 9.750 -9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.195 10.764 -10.291 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.831 8.725 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.230 9.009 -9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.101 9.965 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.969 10.824 -7.832 1.00 0.00 H new ATOM 176 N ASP A 15 13.610 11.378 -8.884 1.00 0.00 N ATOM 177 CA ASP A 15 12.231 11.058 -8.530 1.00 0.00 C ATOM 178 C ASP A 15 11.973 9.559 -8.652 1.00 0.00 C ATOM 179 O ASP A 15 10.871 9.085 -8.377 1.00 0.00 O ATOM 180 CB ASP A 15 11.260 11.830 -9.423 1.00 0.00 C ATOM 181 CG ASP A 15 11.625 13.297 -9.544 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.638 13.991 -8.506 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.897 13.750 -10.675 1.00 0.00 O ATOM 0 H ASP A 15 13.714 11.871 -9.771 1.00 0.00 H new ATOM 0 HA ASP A 15 12.070 11.353 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.247 11.379 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.251 11.742 -9.019 1.00 0.00 H new ATOM 188 N ASN A 16 12.996 8.819 -9.067 1.00 0.00 N ATOM 189 CA ASN A 16 12.879 7.375 -9.228 1.00 0.00 C ATOM 190 C ASN A 16 14.083 6.661 -8.622 1.00 0.00 C ATOM 191 O ASN A 16 14.596 5.696 -9.190 1.00 0.00 O ATOM 192 CB ASN A 16 12.749 7.014 -10.709 1.00 0.00 C ATOM 193 CG ASN A 16 13.636 7.870 -11.592 1.00 0.00 C ATOM 194 OD1 ASN A 16 14.842 7.973 -11.367 1.00 0.00 O ATOM 195 ND2 ASN A 16 13.040 8.491 -12.604 1.00 0.00 N ATOM 0 H ASN A 16 13.915 9.196 -9.298 1.00 0.00 H new ATOM 0 HA ASN A 16 11.982 7.047 -8.702 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.007 5.964 -10.848 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.711 7.131 -11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.585 9.082 -13.232 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.037 8.377 -12.753 1.00 0.00 H new ATOM 202 N HIS A 17 14.529 7.141 -7.466 1.00 0.00 N ATOM 203 CA HIS A 17 15.673 6.548 -6.782 1.00 0.00 C ATOM 204 C HIS A 17 15.313 5.181 -6.207 1.00 0.00 C ATOM 205 O HIS A 17 14.215 4.965 -5.695 1.00 0.00 O ATOM 206 CB HIS A 17 16.161 7.471 -5.665 1.00 0.00 C ATOM 207 CG HIS A 17 17.638 7.395 -5.427 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.188 7.098 -4.198 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.681 7.577 -6.271 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.506 7.103 -4.296 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.830 7.391 -5.543 1.00 0.00 N ATOM 0 H HIS A 17 14.116 7.939 -6.983 1.00 0.00 H new ATOM 0 HA HIS A 17 16.473 6.417 -7.511 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.893 8.499 -5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.639 7.218 -4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.620 7.823 -7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.200 6.905 -3.493 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.780 7.464 -5.907 1.00 0.00 H new ATOM 220 N PRO A 18 16.260 4.234 -6.293 1.00 0.00 N ATOM 221 CA PRO A 18 16.066 2.872 -5.788 1.00 0.00 C ATOM 222 C PRO A 18 16.015 2.821 -4.265 1.00 0.00 C ATOM 223 O PRO A 18 15.277 2.025 -3.683 1.00 0.00 O ATOM 224 CB PRO A 18 17.294 2.122 -6.308 1.00 0.00 C ATOM 225 CG PRO A 18 18.332 3.176 -6.489 1.00 0.00 C ATOM 226 CD PRO A 18 17.592 4.421 -6.891 1.00 0.00 C ATOM 0 HA PRO A 18 15.119 2.446 -6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.622 1.361 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.079 1.613 -7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.891 3.335 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.053 2.887 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.080 5.319 -6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.535 4.523 -7.975 1.00 0.00 H new ATOM 234 N THR A 19 16.805 3.676 -3.622 1.00 0.00 N ATOM 235 CA THR A 19 16.851 3.728 -2.166 1.00 0.00 C ATOM 236 C THR A 19 15.912 4.798 -1.624 1.00 0.00 C ATOM 237 O THR A 19 15.411 4.691 -0.504 1.00 0.00 O ATOM 238 CB THR A 19 18.278 4.009 -1.659 1.00 0.00 C ATOM 239 OG1 THR A 19 18.758 5.243 -2.204 1.00 0.00 O ATOM 240 CG2 THR A 19 19.221 2.878 -2.042 1.00 0.00 C ATOM 0 H THR A 19 17.422 4.342 -4.087 1.00 0.00 H new ATOM 0 HA THR A 19 16.531 2.751 -1.805 1.00 0.00 H new ATOM 0 HB THR A 19 18.246 4.081 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.130 5.567 -2.883 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.223 3.099 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.869 1.946 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.248 2.778 -3.127 1.00 0.00 H new ATOM 248 N LYS A 20 15.675 5.832 -2.425 1.00 0.00 N ATOM 249 CA LYS A 20 14.793 6.922 -2.027 1.00 0.00 C ATOM 250 C LYS A 20 13.561 6.982 -2.925 1.00 0.00 C ATOM 251 O LYS A 20 13.631 6.663 -4.113 1.00 0.00 O ATOM 252 CB LYS A 20 15.541 8.256 -2.081 1.00 0.00 C ATOM 253 CG LYS A 20 16.209 8.632 -0.769 1.00 0.00 C ATOM 254 CD LYS A 20 17.637 8.119 -0.703 1.00 0.00 C ATOM 255 CE LYS A 20 18.543 9.087 0.043 1.00 0.00 C ATOM 256 NZ LYS A 20 19.171 10.078 -0.875 1.00 0.00 N ATOM 0 H LYS A 20 16.082 5.937 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 20 14.466 6.736 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.298 8.207 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.842 9.044 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.205 9.716 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.636 8.223 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.653 7.148 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.018 7.968 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.966 9.612 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.322 8.529 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.781 10.720 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.743 9.579 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.429 10.628 -1.352 1.00 0.00 H new ATOM 270 N PHE A 21 12.435 7.393 -2.352 1.00 0.00 N ATOM 271 CA PHE A 21 11.189 7.495 -3.101 1.00 0.00 C ATOM 272 C PHE A 21 10.330 8.642 -2.576 1.00 0.00 C ATOM 273 O PHE A 21 9.773 8.564 -1.480 1.00 0.00 O ATOM 274 CB PHE A 21 10.410 6.181 -3.018 1.00 0.00 C ATOM 275 CG PHE A 21 11.209 4.983 -3.446 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.099 4.379 -2.572 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.070 4.461 -4.722 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.835 3.276 -2.963 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.803 3.358 -5.118 1.00 0.00 C ATOM 280 CZ PHE A 21 12.688 2.766 -4.237 1.00 0.00 C ATOM 0 H PHE A 21 12.360 7.661 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 21 11.437 7.698 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.070 6.034 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.519 6.256 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.219 4.774 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.381 4.921 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.524 2.814 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.684 2.959 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.264 1.906 -4.545 1.00 0.00 H new ATOM 290 N LYS A 22 10.228 9.707 -3.364 1.00 0.00 N ATOM 291 CA LYS A 22 9.438 10.870 -2.981 1.00 0.00 C ATOM 292 C LYS A 22 7.949 10.540 -2.978 1.00 0.00 C ATOM 293 O LYS A 22 7.412 10.039 -3.966 1.00 0.00 O ATOM 294 CB LYS A 22 9.711 12.035 -3.936 1.00 0.00 C ATOM 295 CG LYS A 22 10.855 12.930 -3.492 1.00 0.00 C ATOM 296 CD LYS A 22 11.587 13.529 -4.681 1.00 0.00 C ATOM 297 CE LYS A 22 13.012 13.922 -4.318 1.00 0.00 C ATOM 298 NZ LYS A 22 13.051 15.146 -3.472 1.00 0.00 N ATOM 0 H LYS A 22 10.684 9.788 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 22 9.730 11.159 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.935 11.638 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.806 12.636 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.468 13.730 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.554 12.355 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.604 12.809 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.047 14.405 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.492 13.099 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.585 14.092 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.039 15.381 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.616 15.938 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.526 14.976 -2.591 1.00 0.00 H new ATOM 312 N VAL A 23 7.286 10.825 -1.861 1.00 0.00 N ATOM 313 CA VAL A 23 5.859 10.560 -1.731 1.00 0.00 C ATOM 314 C VAL A 23 5.100 11.821 -1.330 1.00 0.00 C ATOM 315 O VAL A 23 5.701 12.863 -1.064 1.00 0.00 O ATOM 316 CB VAL A 23 5.585 9.457 -0.691 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.149 8.126 -1.163 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.167 9.843 0.660 1.00 0.00 C ATOM 0 H VAL A 23 7.715 11.239 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 23 5.510 10.224 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 23 4.506 9.348 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.946 7.359 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.680 7.846 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.226 8.217 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.964 9.053 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.244 9.981 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.710 10.772 1.001 1.00 0.00 H new ATOM 328 N THR A 24 3.775 11.720 -1.288 1.00 0.00 N ATOM 329 CA THR A 24 2.934 12.851 -0.920 1.00 0.00 C ATOM 330 C THR A 24 1.811 12.420 0.016 1.00 0.00 C ATOM 331 O THR A 24 0.860 11.761 -0.403 1.00 0.00 O ATOM 332 CB THR A 24 2.321 13.523 -2.163 1.00 0.00 C ATOM 333 OG1 THR A 24 3.359 14.065 -2.988 1.00 0.00 O ATOM 334 CG2 THR A 24 1.357 14.629 -1.761 1.00 0.00 C ATOM 0 H THR A 24 3.262 10.866 -1.505 1.00 0.00 H new ATOM 0 HA THR A 24 3.575 13.568 -0.407 1.00 0.00 H new ATOM 0 HB THR A 24 1.769 12.768 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.962 14.489 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.937 15.089 -2.656 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.553 14.209 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.890 15.383 -1.182 1.00 0.00 H new ATOM 342 N ASN A 25 1.926 12.797 1.285 1.00 0.00 N ATOM 343 CA ASN A 25 0.919 12.449 2.281 1.00 0.00 C ATOM 344 C ASN A 25 -0.461 12.935 1.851 1.00 0.00 C ATOM 345 O ASN A 25 -0.682 14.133 1.672 1.00 0.00 O ATOM 346 CB ASN A 25 1.285 13.051 3.639 1.00 0.00 C ATOM 347 CG ASN A 25 0.480 12.449 4.774 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.835 12.623 4.725 1.00 0.00 O flip ATOM 349 ND2 ASN A 25 1.035 11.833 5.685 1.00 0.00 N flip ATOM 0 H ASN A 25 2.707 13.344 1.648 1.00 0.00 H new ATOM 0 HA ASN A 25 0.891 11.363 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.347 12.895 3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.121 14.128 3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.049 11.723 5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.480 11.433 6.442 1.00 0.00 H new ATOM 356 N VAL A 26 -1.389 11.997 1.688 1.00 0.00 N ATOM 357 CA VAL A 26 -2.749 12.329 1.281 1.00 0.00 C ATOM 358 C VAL A 26 -3.767 11.815 2.294 1.00 0.00 C ATOM 359 O VAL A 26 -3.404 11.202 3.297 1.00 0.00 O ATOM 360 CB VAL A 26 -3.079 11.744 -0.105 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.154 12.324 -1.164 1.00 0.00 C ATOM 362 CG2 VAL A 26 -2.986 10.226 -0.077 1.00 0.00 C ATOM 0 H VAL A 26 -1.223 11.001 1.832 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.808 13.416 1.231 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.102 12.018 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.402 11.899 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.275 13.407 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.120 12.083 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.222 9.829 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.975 9.928 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.694 9.831 0.652 1.00 0.00 H new ATOM 372 N ASP A 27 -5.042 12.069 2.023 1.00 0.00 N ATOM 373 CA ASP A 27 -6.114 11.630 2.909 1.00 0.00 C ATOM 374 C ASP A 27 -6.978 10.570 2.234 1.00 0.00 C ATOM 375 O ASP A 27 -6.681 10.128 1.124 1.00 0.00 O ATOM 376 CB ASP A 27 -6.978 12.821 3.327 1.00 0.00 C ATOM 377 CG ASP A 27 -8.035 13.160 2.294 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.716 13.126 1.087 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.180 13.459 2.692 1.00 0.00 O ATOM 0 H ASP A 27 -5.359 12.577 1.197 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.661 11.190 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.462 12.599 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.340 13.690 3.489 1.00 0.00 H new ATOM 384 N ASP A 28 -8.047 10.167 2.911 1.00 0.00 N ATOM 385 CA ASP A 28 -8.955 9.158 2.376 1.00 0.00 C ATOM 386 C ASP A 28 -9.429 9.540 0.977 1.00 0.00 C ATOM 387 O ASP A 28 -9.491 8.698 0.082 1.00 0.00 O ATOM 388 CB ASP A 28 -10.158 8.981 3.304 1.00 0.00 C ATOM 389 CG ASP A 28 -11.139 7.946 2.790 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.960 6.751 3.105 1.00 0.00 O ATOM 391 OD2 ASP A 28 -12.085 8.330 2.071 1.00 0.00 O ATOM 0 H ASP A 28 -8.307 10.523 3.831 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.413 8.215 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.809 8.687 4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.669 9.937 3.417 1.00 0.00 H new ATOM 396 N GLU A 29 -9.762 10.814 0.798 1.00 0.00 N ATOM 397 CA GLU A 29 -10.231 11.306 -0.492 1.00 0.00 C ATOM 398 C GLU A 29 -9.133 11.203 -1.546 1.00 0.00 C ATOM 399 O GLU A 29 -9.390 10.841 -2.694 1.00 0.00 O ATOM 400 CB GLU A 29 -10.701 12.757 -0.370 1.00 0.00 C ATOM 401 CG GLU A 29 -11.680 12.986 0.770 1.00 0.00 C ATOM 402 CD GLU A 29 -12.646 14.121 0.491 1.00 0.00 C ATOM 403 OE1 GLU A 29 -12.177 15.257 0.268 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.870 13.873 0.495 1.00 0.00 O ATOM 0 H GLU A 29 -9.716 11.524 1.529 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.070 10.685 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.833 13.400 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.170 13.058 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.243 12.070 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.125 13.203 1.683 1.00 0.00 H new ATOM 411 N GLY A 30 -7.906 11.525 -1.148 1.00 0.00 N ATOM 412 CA GLY A 30 -6.786 11.463 -2.069 1.00 0.00 C ATOM 413 C GLY A 30 -6.136 12.816 -2.283 1.00 0.00 C ATOM 414 O GLY A 30 -5.326 12.986 -3.194 1.00 0.00 O ATOM 0 H GLY A 30 -7.668 11.828 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.043 10.763 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.129 11.072 -3.027 1.00 0.00 H new ATOM 418 N VAL A 31 -6.493 13.782 -1.442 1.00 0.00 N ATOM 419 CA VAL A 31 -5.939 15.127 -1.544 1.00 0.00 C ATOM 420 C VAL A 31 -4.495 15.165 -1.056 1.00 0.00 C ATOM 421 O VAL A 31 -4.015 14.218 -0.436 1.00 0.00 O ATOM 422 CB VAL A 31 -6.771 16.139 -0.734 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.222 16.124 -1.189 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.667 15.843 0.755 1.00 0.00 C ATOM 0 H VAL A 31 -7.163 13.658 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.970 15.404 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.371 17.137 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.794 16.845 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.275 16.388 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.639 15.127 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.261 16.568 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.041 14.838 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.625 15.911 1.068 1.00 0.00 H new ATOM 434 N GLU A 32 -3.809 16.268 -1.341 1.00 0.00 N ATOM 435 CA GLU A 32 -2.419 16.429 -0.931 1.00 0.00 C ATOM 436 C GLU A 32 -2.318 17.300 0.318 1.00 0.00 C ATOM 437 O GLU A 32 -2.623 18.493 0.283 1.00 0.00 O ATOM 438 CB GLU A 32 -1.598 17.047 -2.065 1.00 0.00 C ATOM 439 CG GLU A 32 -1.583 16.209 -3.332 1.00 0.00 C ATOM 440 CD GLU A 32 -0.715 16.811 -4.419 1.00 0.00 C ATOM 441 OE1 GLU A 32 -0.886 18.011 -4.720 1.00 0.00 O ATOM 442 OE2 GLU A 32 0.137 16.082 -4.969 1.00 0.00 O ATOM 0 H GLU A 32 -4.193 17.062 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.019 15.442 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.999 18.034 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.573 17.192 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.222 15.208 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.602 16.101 -3.704 1.00 0.00 H new ATOM 449 N LEU A 33 -1.889 16.696 1.420 1.00 0.00 N ATOM 450 CA LEU A 33 -1.748 17.415 2.682 1.00 0.00 C ATOM 451 C LEU A 33 -0.311 17.886 2.882 1.00 0.00 C ATOM 452 O LEU A 33 -0.042 19.085 2.938 1.00 0.00 O ATOM 453 CB LEU A 33 -2.172 16.523 3.850 1.00 0.00 C ATOM 454 CG LEU A 33 -3.434 15.688 3.633 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.571 14.635 4.722 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.665 16.582 3.596 1.00 0.00 C ATOM 0 H LEU A 33 -1.633 15.710 1.466 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.396 18.290 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.349 15.847 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.324 17.153 4.726 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.349 15.180 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.475 14.050 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.703 13.976 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.633 15.123 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.554 15.971 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.754 17.118 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.570 17.298 2.780 1.00 0.00 H new ATOM 468 N GLY A 34 0.610 16.932 2.987 1.00 0.00 N ATOM 469 CA GLY A 34 2.009 17.270 3.178 1.00 0.00 C ATOM 470 C GLY A 34 2.927 16.466 2.278 1.00 0.00 C ATOM 471 O GLY A 34 2.623 15.326 1.929 1.00 0.00 O ATOM 0 H GLY A 34 0.412 15.932 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.153 18.333 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.283 17.097 4.219 1.00 0.00 H new ATOM 475 N SER A 35 4.052 17.063 1.898 1.00 0.00 N ATOM 476 CA SER A 35 5.015 16.398 1.029 1.00 0.00 C ATOM 477 C SER A 35 6.136 15.762 1.845 1.00 0.00 C ATOM 478 O SER A 35 6.582 16.319 2.847 1.00 0.00 O ATOM 479 CB SER A 35 5.601 17.394 0.026 1.00 0.00 C ATOM 480 OG SER A 35 6.327 18.415 0.687 1.00 0.00 O ATOM 0 H SER A 35 4.319 18.007 2.179 1.00 0.00 H new ATOM 0 HA SER A 35 4.493 15.610 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.256 16.871 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.798 17.837 -0.563 1.00 0.00 H new ATOM 0 HG SER A 35 6.693 19.038 0.024 1.00 0.00 H new ATOM 486 N GLY A 36 6.586 14.590 1.408 1.00 0.00 N ATOM 487 CA GLY A 36 7.650 13.895 2.109 1.00 0.00 C ATOM 488 C GLY A 36 8.354 12.879 1.233 1.00 0.00 C ATOM 489 O GLY A 36 7.901 12.579 0.128 1.00 0.00 O ATOM 0 H GLY A 36 6.233 14.109 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.376 14.622 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.237 13.392 2.983 1.00 0.00 H new ATOM 493 N VAL A 37 9.469 12.346 1.725 1.00 0.00 N ATOM 494 CA VAL A 37 10.238 11.357 0.979 1.00 0.00 C ATOM 495 C VAL A 37 10.344 10.047 1.752 1.00 0.00 C ATOM 496 O VAL A 37 10.856 10.014 2.870 1.00 0.00 O ATOM 497 CB VAL A 37 11.655 11.871 0.663 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.434 10.834 -0.132 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.588 13.191 -0.089 1.00 0.00 C ATOM 0 H VAL A 37 9.859 12.583 2.637 1.00 0.00 H new ATOM 0 HA VAL A 37 9.707 11.181 0.044 1.00 0.00 H new ATOM 0 HB VAL A 37 12.179 12.042 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.433 11.215 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.513 9.915 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.915 10.629 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.598 13.539 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.046 13.050 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.071 13.932 0.521 1.00 0.00 H new ATOM 509 N MET A 38 9.857 8.969 1.146 1.00 0.00 N ATOM 510 CA MET A 38 9.899 7.655 1.777 1.00 0.00 C ATOM 511 C MET A 38 11.236 6.969 1.516 1.00 0.00 C ATOM 512 O MET A 38 11.692 6.893 0.376 1.00 0.00 O ATOM 513 CB MET A 38 8.754 6.781 1.260 1.00 0.00 C ATOM 514 CG MET A 38 8.690 5.412 1.919 1.00 0.00 C ATOM 515 SD MET A 38 7.780 5.432 3.475 1.00 0.00 S ATOM 516 CE MET A 38 6.096 5.560 2.881 1.00 0.00 C ATOM 0 H MET A 38 9.429 8.979 0.220 1.00 0.00 H new ATOM 0 HA MET A 38 9.785 7.792 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.809 7.299 1.425 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.864 6.652 0.183 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.218 4.706 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.703 5.052 2.100 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.541 6.257 3.509 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.099 5.922 1.853 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.621 4.580 2.919 1.00 0.00 H new ATOM 526 N GLU A 39 11.859 6.472 2.580 1.00 0.00 N ATOM 527 CA GLU A 39 13.144 5.793 2.464 1.00 0.00 C ATOM 528 C GLU A 39 13.017 4.319 2.837 1.00 0.00 C ATOM 529 O GLU A 39 12.449 3.976 3.875 1.00 0.00 O ATOM 530 CB GLU A 39 14.185 6.469 3.359 1.00 0.00 C ATOM 531 CG GLU A 39 15.607 5.996 3.104 1.00 0.00 C ATOM 532 CD GLU A 39 16.643 6.868 3.786 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.498 7.123 5.000 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.599 7.295 3.106 1.00 0.00 O ATOM 0 H GLU A 39 11.495 6.527 3.531 1.00 0.00 H new ATOM 0 HA GLU A 39 13.469 5.860 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.137 7.547 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.931 6.283 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.713 4.970 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.796 5.986 2.030 1.00 0.00 H new ATOM 541 N LEU A 40 13.549 3.451 1.984 1.00 0.00 N ATOM 542 CA LEU A 40 13.496 2.013 2.222 1.00 0.00 C ATOM 543 C LEU A 40 14.838 1.494 2.727 1.00 0.00 C ATOM 544 O LEU A 40 15.596 0.872 1.982 1.00 0.00 O ATOM 545 CB LEU A 40 13.102 1.278 0.939 1.00 0.00 C ATOM 546 CG LEU A 40 11.602 1.080 0.713 1.00 0.00 C ATOM 547 CD1 LEU A 40 10.936 2.401 0.363 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.360 0.051 -0.382 1.00 0.00 C ATOM 0 H LEU A 40 14.022 3.718 1.121 1.00 0.00 H new ATOM 0 HA LEU A 40 12.744 1.824 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.508 1.828 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.581 0.299 0.943 1.00 0.00 H new ATOM 0 HG LEU A 40 11.160 0.708 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.869 2.240 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.080 3.109 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.380 2.803 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.288 -0.078 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.816 0.394 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.803 -0.901 -0.091 1.00 0.00 H new ATOM 560 N THR A 41 15.126 1.752 3.999 1.00 0.00 N ATOM 561 CA THR A 41 16.376 1.311 4.604 1.00 0.00 C ATOM 562 C THR A 41 16.201 -0.027 5.314 1.00 0.00 C ATOM 563 O THR A 41 15.269 -0.206 6.098 1.00 0.00 O ATOM 564 CB THR A 41 16.909 2.347 5.611 1.00 0.00 C ATOM 565 OG1 THR A 41 15.890 2.676 6.562 1.00 0.00 O ATOM 566 CG2 THR A 41 17.369 3.609 4.897 1.00 0.00 C ATOM 0 H THR A 41 14.510 2.264 4.630 1.00 0.00 H new ATOM 0 HA THR A 41 17.097 1.198 3.794 1.00 0.00 H new ATOM 0 HB THR A 41 17.762 1.910 6.130 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.131 2.065 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.741 4.326 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.165 3.360 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.531 4.046 4.355 1.00 0.00 H new ATOM 574 N GLN A 42 17.103 -0.962 5.035 1.00 0.00 N ATOM 575 CA GLN A 42 17.047 -2.284 5.648 1.00 0.00 C ATOM 576 C GLN A 42 16.555 -2.196 7.088 1.00 0.00 C ATOM 577 O GLN A 42 15.901 -3.111 7.588 1.00 0.00 O ATOM 578 CB GLN A 42 18.425 -2.947 5.607 1.00 0.00 C ATOM 579 CG GLN A 42 18.933 -3.209 4.199 1.00 0.00 C ATOM 580 CD GLN A 42 20.289 -3.887 4.184 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.264 -3.341 3.665 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.359 -5.084 4.755 1.00 0.00 N ATOM 0 H GLN A 42 17.881 -0.829 4.389 1.00 0.00 H new ATOM 0 HA GLN A 42 16.342 -2.891 5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.140 -2.312 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.381 -3.891 6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.214 -3.832 3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.997 -2.265 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.526 -5.499 5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.245 -5.588 4.776 1.00 0.00 H new ATOM 591 N SER A 43 16.873 -1.088 7.751 1.00 0.00 N ATOM 592 CA SER A 43 16.466 -0.882 9.136 1.00 0.00 C ATOM 593 C SER A 43 14.948 -0.782 9.247 1.00 0.00 C ATOM 594 O SER A 43 14.309 -1.595 9.914 1.00 0.00 O ATOM 595 CB SER A 43 17.115 0.385 9.697 1.00 0.00 C ATOM 596 OG SER A 43 17.088 0.387 11.114 1.00 0.00 O ATOM 0 H SER A 43 17.411 -0.319 7.351 1.00 0.00 H new ATOM 0 HA SER A 43 16.799 -1.741 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.146 0.454 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.592 1.263 9.319 1.00 0.00 H new ATOM 0 HG SER A 43 17.510 1.206 11.448 1.00 0.00 H new ATOM 602 N GLU A 44 14.377 0.222 8.588 1.00 0.00 N ATOM 603 CA GLU A 44 12.934 0.430 8.613 1.00 0.00 C ATOM 604 C GLU A 44 12.526 1.528 7.636 1.00 0.00 C ATOM 605 O GLU A 44 13.367 2.106 6.946 1.00 0.00 O ATOM 606 CB GLU A 44 12.474 0.793 10.027 1.00 0.00 C ATOM 607 CG GLU A 44 13.098 2.071 10.561 1.00 0.00 C ATOM 608 CD GLU A 44 14.451 1.835 11.204 1.00 0.00 C ATOM 609 OE1 GLU A 44 14.574 0.872 11.990 1.00 0.00 O ATOM 610 OE2 GLU A 44 15.386 2.612 10.920 1.00 0.00 O ATOM 0 H GLU A 44 14.892 0.904 8.031 1.00 0.00 H new ATOM 0 HA GLU A 44 12.453 -0.500 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.389 0.899 10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.716 -0.029 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.207 2.786 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.426 2.521 11.292 1.00 0.00 H new ATOM 617 N LEU A 45 11.229 1.811 7.582 1.00 0.00 N ATOM 618 CA LEU A 45 10.706 2.840 6.689 1.00 0.00 C ATOM 619 C LEU A 45 10.624 4.187 7.400 1.00 0.00 C ATOM 620 O LEU A 45 9.985 4.312 8.445 1.00 0.00 O ATOM 621 CB LEU A 45 9.325 2.439 6.170 1.00 0.00 C ATOM 622 CG LEU A 45 9.304 1.626 4.875 1.00 0.00 C ATOM 623 CD1 LEU A 45 7.971 0.912 4.714 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.579 2.524 3.677 1.00 0.00 C ATOM 0 H LEU A 45 10.520 1.342 8.146 1.00 0.00 H new ATOM 0 HA LEU A 45 11.390 2.936 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.821 1.862 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.740 3.346 6.016 1.00 0.00 H new ATOM 0 HG LEU A 45 10.091 0.874 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.975 0.339 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.815 0.238 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.166 1.647 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.560 1.929 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.815 3.299 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.559 2.988 3.787 1.00 0.00 H new ATOM 636 N VAL A 46 11.273 5.195 6.824 1.00 0.00 N ATOM 637 CA VAL A 46 11.270 6.534 7.401 1.00 0.00 C ATOM 638 C VAL A 46 10.756 7.562 6.399 1.00 0.00 C ATOM 639 O VAL A 46 11.036 7.474 5.203 1.00 0.00 O ATOM 640 CB VAL A 46 12.679 6.947 7.867 1.00 0.00 C ATOM 641 CG1 VAL A 46 12.621 8.249 8.652 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.310 5.841 8.698 1.00 0.00 C ATOM 0 H VAL A 46 11.807 5.109 5.959 1.00 0.00 H new ATOM 0 HA VAL A 46 10.604 6.506 8.263 1.00 0.00 H new ATOM 0 HB VAL A 46 13.302 7.109 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.625 8.525 8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.213 9.037 8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.984 8.119 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.305 6.150 9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.691 5.645 9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.387 4.934 8.098 1.00 0.00 H new ATOM 652 N LEU A 47 10.002 8.537 6.895 1.00 0.00 N ATOM 653 CA LEU A 47 9.448 9.584 6.044 1.00 0.00 C ATOM 654 C LEU A 47 10.154 10.914 6.287 1.00 0.00 C ATOM 655 O LEU A 47 10.136 11.444 7.399 1.00 0.00 O ATOM 656 CB LEU A 47 7.947 9.736 6.300 1.00 0.00 C ATOM 657 CG LEU A 47 7.027 8.890 5.419 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.590 8.977 5.909 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.125 9.332 3.966 1.00 0.00 C ATOM 0 H LEU A 47 9.760 8.624 7.882 1.00 0.00 H new ATOM 0 HA LEU A 47 9.606 9.295 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.749 9.486 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.680 10.785 6.168 1.00 0.00 H new ATOM 0 HG LEU A 47 7.349 7.851 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.950 8.369 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.532 8.611 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.256 10.014 5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.464 8.719 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.830 10.378 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.152 9.216 3.619 1.00 0.00 H new ATOM 671 N HIS A 48 10.773 11.450 5.240 1.00 0.00 N ATOM 672 CA HIS A 48 11.483 12.720 5.339 1.00 0.00 C ATOM 673 C HIS A 48 10.625 13.864 4.807 1.00 0.00 C ATOM 674 O HIS A 48 10.483 14.036 3.596 1.00 0.00 O ATOM 675 CB HIS A 48 12.801 12.654 4.567 1.00 0.00 C ATOM 676 CG HIS A 48 13.691 11.528 4.997 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.323 11.495 6.222 1.00 0.00 N ATOM 678 CD2 HIS A 48 14.052 10.391 4.358 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.036 10.386 6.317 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.888 9.699 5.199 1.00 0.00 N ATOM 0 H HIS A 48 10.797 11.025 4.313 1.00 0.00 H new ATOM 0 HA HIS A 48 11.697 12.908 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.585 12.550 3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.334 13.596 4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.740 10.085 3.370 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.637 10.092 7.165 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.324 8.800 4.994 1.00 0.00 H new ATOM 689 N LEU A 49 10.056 14.644 5.720 1.00 0.00 N ATOM 690 CA LEU A 49 9.212 15.772 5.343 1.00 0.00 C ATOM 691 C LEU A 49 9.996 17.080 5.391 1.00 0.00 C ATOM 692 O LEU A 49 11.184 17.092 5.717 1.00 0.00 O ATOM 693 CB LEU A 49 7.998 15.859 6.271 1.00 0.00 C ATOM 694 CG LEU A 49 7.358 14.527 6.664 1.00 0.00 C ATOM 695 CD1 LEU A 49 6.443 14.709 7.865 1.00 0.00 C ATOM 696 CD2 LEU A 49 6.591 13.937 5.491 1.00 0.00 C ATOM 0 H LEU A 49 10.164 14.516 6.726 1.00 0.00 H new ATOM 0 HA LEU A 49 8.870 15.612 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.298 16.378 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.240 16.475 5.788 1.00 0.00 H new ATOM 0 HG LEU A 49 8.151 13.832 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.996 13.751 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.021 15.086 8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.655 15.420 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.142 12.989 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.807 14.629 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.273 13.769 4.658 1.00 0.00 H new ATOM 789 N ALA A 54 9.047 13.701 11.176 1.00 0.00 N ATOM 790 CA ALA A 54 9.659 12.481 10.663 1.00 0.00 C ATOM 791 C ALA A 54 9.190 11.260 11.446 1.00 0.00 C ATOM 792 O ALA A 54 9.311 11.211 12.671 1.00 0.00 O ATOM 793 CB ALA A 54 11.176 12.591 10.713 1.00 0.00 C ATOM 0 HA ALA A 54 9.348 12.356 9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.620 11.673 10.327 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.500 13.435 10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.496 12.743 11.744 1.00 0.00 H new ATOM 799 N VAL A 55 8.652 10.276 10.733 1.00 0.00 N ATOM 800 CA VAL A 55 8.165 9.054 11.361 1.00 0.00 C ATOM 801 C VAL A 55 8.972 7.843 10.908 1.00 0.00 C ATOM 802 O VAL A 55 9.677 7.896 9.900 1.00 0.00 O ATOM 803 CB VAL A 55 6.677 8.814 11.042 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.188 7.535 11.705 1.00 0.00 C ATOM 805 CG2 VAL A 55 5.840 10.006 11.482 1.00 0.00 C ATOM 0 H VAL A 55 8.542 10.301 9.719 1.00 0.00 H new ATOM 0 HA VAL A 55 8.283 9.183 12.437 1.00 0.00 H new ATOM 0 HB VAL A 55 6.568 8.700 9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.135 7.382 11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.769 6.689 11.337 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.309 7.616 12.785 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.791 9.820 11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.953 10.153 12.556 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.175 10.900 10.956 1.00 0.00 H new ATOM 815 N ARG A 56 8.864 6.752 11.659 1.00 0.00 N ATOM 816 CA ARG A 56 9.585 5.527 11.335 1.00 0.00 C ATOM 817 C ARG A 56 8.722 4.299 11.612 1.00 0.00 C ATOM 818 O ARG A 56 8.064 4.211 12.648 1.00 0.00 O ATOM 819 CB ARG A 56 10.882 5.444 12.143 1.00 0.00 C ATOM 820 CG ARG A 56 11.637 6.761 12.218 1.00 0.00 C ATOM 821 CD ARG A 56 12.453 6.862 13.497 1.00 0.00 C ATOM 822 NE ARG A 56 13.656 7.671 13.316 1.00 0.00 N ATOM 823 CZ ARG A 56 13.646 8.997 13.241 1.00 0.00 C ATOM 824 NH1 ARG A 56 12.501 9.661 13.331 1.00 0.00 N ATOM 825 NH2 ARG A 56 14.782 9.662 13.076 1.00 0.00 N ATOM 0 H ARG A 56 8.284 6.691 12.496 1.00 0.00 H new ATOM 0 HA ARG A 56 9.827 5.548 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.650 5.110 13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.530 4.688 11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.297 6.853 11.356 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.931 7.590 12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.839 7.297 14.286 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.735 5.862 13.827 1.00 0.00 H new ATOM 0 HE ARG A 56 14.553 7.191 13.243 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.626 9.153 13.458 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.496 10.679 13.273 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.664 9.155 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.773 10.680 13.019 1.00 0.00 H new ATOM 839 N TRP A 57 8.730 3.355 10.678 1.00 0.00 N ATOM 840 CA TRP A 57 7.947 2.132 10.821 1.00 0.00 C ATOM 841 C TRP A 57 8.808 0.901 10.561 1.00 0.00 C ATOM 842 O TRP A 57 9.262 0.657 9.443 1.00 0.00 O ATOM 843 CB TRP A 57 6.757 2.149 9.861 1.00 0.00 C ATOM 844 CG TRP A 57 5.777 3.246 10.149 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.818 3.254 11.121 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.660 4.494 9.457 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.112 4.432 11.075 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.610 5.210 10.063 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.342 5.078 8.385 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.226 6.477 9.632 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.960 6.335 7.958 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.911 7.024 8.581 1.00 0.00 C ATOM 0 H TRP A 57 9.269 3.412 9.814 1.00 0.00 H new ATOM 0 HA TRP A 57 7.578 2.084 11.845 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.124 2.258 8.841 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.243 1.189 9.914 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.640 2.452 11.823 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.342 4.686 11.694 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.153 4.556 7.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.417 7.009 10.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.479 6.795 7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.638 8.006 8.225 1.00 0.00 H new ATOM 863 N PRO A 58 9.040 0.106 11.616 1.00 0.00 N ATOM 864 CA PRO A 58 9.848 -1.114 11.525 1.00 0.00 C ATOM 865 C PRO A 58 9.153 -2.211 10.727 1.00 0.00 C ATOM 866 O PRO A 58 8.052 -2.641 11.071 1.00 0.00 O ATOM 867 CB PRO A 58 10.014 -1.539 12.986 1.00 0.00 C ATOM 868 CG PRO A 58 8.836 -0.955 13.687 1.00 0.00 C ATOM 869 CD PRO A 58 8.531 0.336 12.978 1.00 0.00 C ATOM 0 HA PRO A 58 10.791 -0.940 11.007 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.034 -2.625 13.083 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.949 -1.165 13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.983 -1.633 13.648 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.056 -0.780 14.740 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.462 0.551 12.977 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.026 1.183 13.454 1.00 0.00 H new ATOM 877 N TYR A 59 9.803 -2.662 9.659 1.00 0.00 N ATOM 878 CA TYR A 59 9.247 -3.708 8.811 1.00 0.00 C ATOM 879 C TYR A 59 8.529 -4.763 9.647 1.00 0.00 C ATOM 880 O TYR A 59 7.594 -5.415 9.177 1.00 0.00 O ATOM 881 CB TYR A 59 10.352 -4.364 7.982 1.00 0.00 C ATOM 882 CG TYR A 59 11.039 -3.413 7.028 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.303 -2.604 6.171 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.425 -3.322 6.985 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.926 -1.734 5.298 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.057 -2.454 6.116 1.00 0.00 C ATOM 887 CZ TYR A 59 12.304 -1.662 5.274 1.00 0.00 C ATOM 888 OH TYR A 59 12.929 -0.796 4.407 1.00 0.00 O ATOM 0 H TYR A 59 10.716 -2.319 9.361 1.00 0.00 H new ATOM 0 HA TYR A 59 8.523 -3.248 8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.096 -4.790 8.656 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.926 -5.191 7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.224 -2.657 6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.018 -3.941 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.338 -1.113 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.135 -2.396 6.096 1.00 0.00 H new ATOM 0 HH TYR A 59 13.737 -0.437 4.829 1.00 0.00 H new ATOM 898 N LEU A 60 8.971 -4.926 10.888 1.00 0.00 N ATOM 899 CA LEU A 60 8.372 -5.902 11.793 1.00 0.00 C ATOM 900 C LEU A 60 6.913 -5.558 12.075 1.00 0.00 C ATOM 901 O LEU A 60 6.012 -6.345 11.785 1.00 0.00 O ATOM 902 CB LEU A 60 9.157 -5.960 13.104 1.00 0.00 C ATOM 903 CG LEU A 60 10.264 -7.013 13.177 1.00 0.00 C ATOM 904 CD1 LEU A 60 11.431 -6.503 14.010 1.00 0.00 C ATOM 905 CD2 LEU A 60 9.725 -8.315 13.751 1.00 0.00 C ATOM 0 H LEU A 60 9.743 -4.395 11.292 1.00 0.00 H new ATOM 0 HA LEU A 60 8.409 -6.879 11.311 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.602 -4.981 13.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.455 -6.143 13.917 1.00 0.00 H new ATOM 0 HG LEU A 60 10.623 -7.207 12.166 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.209 -7.265 14.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.834 -5.597 13.556 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.087 -6.281 15.020 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.526 -9.052 13.795 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.339 -8.138 14.755 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.923 -8.689 13.114 1.00 0.00 H new ATOM 917 N CYS A 61 6.688 -4.377 12.640 1.00 0.00 N ATOM 918 CA CYS A 61 5.338 -3.928 12.961 1.00 0.00 C ATOM 919 C CYS A 61 4.469 -3.879 11.708 1.00 0.00 C ATOM 920 O CYS A 61 3.275 -4.176 11.755 1.00 0.00 O ATOM 921 CB CYS A 61 5.380 -2.549 13.621 1.00 0.00 C ATOM 922 SG CYS A 61 5.365 -1.170 12.451 1.00 0.00 S ATOM 0 H CYS A 61 7.423 -3.713 12.885 1.00 0.00 H new ATOM 0 HA CYS A 61 4.900 -4.643 13.658 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.526 -2.452 14.291 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.277 -2.480 14.236 1.00 0.00 H new ATOM 0 HG CYS A 61 6.357 -1.295 11.620 1.00 0.00 H new ATOM 928 N LEU A 62 5.076 -3.500 10.588 1.00 0.00 N ATOM 929 CA LEU A 62 4.358 -3.410 9.322 1.00 0.00 C ATOM 930 C LEU A 62 3.535 -4.670 9.072 1.00 0.00 C ATOM 931 O LEU A 62 4.053 -5.677 8.590 1.00 0.00 O ATOM 932 CB LEU A 62 5.341 -3.193 8.170 1.00 0.00 C ATOM 933 CG LEU A 62 5.639 -1.738 7.807 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.605 -1.667 6.634 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.351 -0.994 7.485 1.00 0.00 C ATOM 0 H LEU A 62 6.063 -3.250 10.531 1.00 0.00 H new ATOM 0 HA LEU A 62 3.679 -2.559 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.281 -3.683 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.949 -3.694 7.285 1.00 0.00 H new ATOM 0 HG LEU A 62 6.107 -1.258 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.805 -0.624 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.538 -2.163 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.165 -2.164 5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.582 0.040 7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.854 -1.474 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.692 -1.014 8.353 1.00 0.00 H new ATOM 947 N ARG A 63 2.249 -4.604 9.401 1.00 0.00 N ATOM 948 CA ARG A 63 1.353 -5.739 9.211 1.00 0.00 C ATOM 949 C ARG A 63 1.400 -6.234 7.768 1.00 0.00 C ATOM 950 O ARG A 63 1.655 -7.411 7.513 1.00 0.00 O ATOM 951 CB ARG A 63 -0.079 -5.353 9.583 1.00 0.00 C ATOM 952 CG ARG A 63 -0.940 -6.535 10.000 1.00 0.00 C ATOM 953 CD ARG A 63 -1.622 -7.177 8.802 1.00 0.00 C ATOM 954 NE ARG A 63 -2.166 -8.494 9.123 1.00 0.00 N ATOM 955 CZ ARG A 63 -3.104 -9.097 8.402 1.00 0.00 C ATOM 956 NH1 ARG A 63 -3.598 -8.506 7.323 1.00 0.00 N ATOM 957 NH2 ARG A 63 -3.549 -10.296 8.758 1.00 0.00 N ATOM 0 H ARG A 63 1.804 -3.777 9.800 1.00 0.00 H new ATOM 0 HA ARG A 63 1.686 -6.546 9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.051 -4.629 10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.545 -4.857 8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.322 -7.275 10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.693 -6.204 10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.425 -6.529 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.907 -7.269 7.984 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.806 -8.977 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.258 -7.586 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.318 -8.972 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.170 -10.755 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.270 -10.758 8.203 1.00 0.00 H new ATOM 971 N ARG A 64 1.152 -5.326 6.829 1.00 0.00 N ATOM 972 CA ARG A 64 1.164 -5.671 5.412 1.00 0.00 C ATOM 973 C ARG A 64 1.514 -4.454 4.560 1.00 0.00 C ATOM 974 O ARG A 64 1.600 -3.334 5.065 1.00 0.00 O ATOM 975 CB ARG A 64 -0.196 -6.228 4.990 1.00 0.00 C ATOM 976 CG ARG A 64 -1.294 -5.179 4.934 1.00 0.00 C ATOM 977 CD ARG A 64 -2.631 -5.791 4.547 1.00 0.00 C ATOM 978 NE ARG A 64 -3.753 -4.927 4.904 1.00 0.00 N ATOM 979 CZ ARG A 64 -4.998 -5.363 5.055 1.00 0.00 C ATOM 980 NH1 ARG A 64 -5.280 -6.647 4.881 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.965 -4.515 5.380 1.00 0.00 N ATOM 0 H ARG A 64 0.941 -4.347 7.024 1.00 0.00 H new ATOM 0 HA ARG A 64 1.926 -6.434 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.100 -6.693 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.490 -7.012 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.383 -4.692 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.024 -4.407 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.646 -5.979 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.745 -6.756 5.042 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.570 -3.934 5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.540 -7.302 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.237 -6.979 4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.753 -3.526 5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.921 -4.852 5.496 1.00 0.00 H new ATOM 995 N TYR A 65 1.716 -4.682 3.268 1.00 0.00 N ATOM 996 CA TYR A 65 2.060 -3.606 2.346 1.00 0.00 C ATOM 997 C TYR A 65 1.520 -3.892 0.948 1.00 0.00 C ATOM 998 O TYR A 65 1.696 -4.987 0.414 1.00 0.00 O ATOM 999 CB TYR A 65 3.577 -3.419 2.290 1.00 0.00 C ATOM 1000 CG TYR A 65 4.339 -4.709 2.084 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.425 -5.657 3.097 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.974 -4.980 0.878 1.00 0.00 C ATOM 1003 CE1 TYR A 65 5.120 -6.837 2.913 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.670 -6.157 0.686 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.740 -7.082 1.706 1.00 0.00 C ATOM 1006 OH TYR A 65 6.434 -8.256 1.519 1.00 0.00 O ATOM 0 H TYR A 65 1.648 -5.603 2.835 1.00 0.00 H new ATOM 0 HA TYR A 65 1.601 -2.688 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.820 -2.730 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.912 -2.953 3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.941 -5.468 4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.922 -4.257 0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.177 -7.563 3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.157 -6.352 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 65 6.031 -8.964 2.064 1.00 0.00 H new ATOM 1016 N GLY A 66 0.861 -2.898 0.361 1.00 0.00 N ATOM 1017 CA GLY A 66 0.305 -3.061 -0.970 1.00 0.00 C ATOM 1018 C GLY A 66 0.886 -2.077 -1.966 1.00 0.00 C ATOM 1019 O GLY A 66 1.867 -1.393 -1.673 1.00 0.00 O ATOM 0 H GLY A 66 0.702 -1.983 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.492 -4.077 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.777 -2.933 -0.927 1.00 0.00 H new ATOM 1023 N TYR A 67 0.282 -2.007 -3.147 1.00 0.00 N ATOM 1024 CA TYR A 67 0.749 -1.103 -4.191 1.00 0.00 C ATOM 1025 C TYR A 67 -0.293 -0.965 -5.298 1.00 0.00 C ATOM 1026 O TYR A 67 -1.014 -1.913 -5.608 1.00 0.00 O ATOM 1027 CB TYR A 67 2.069 -1.605 -4.778 1.00 0.00 C ATOM 1028 CG TYR A 67 1.893 -2.637 -5.869 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.659 -3.971 -5.559 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.961 -2.278 -7.209 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.499 -4.918 -6.552 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.800 -3.217 -8.209 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.570 -4.536 -7.876 1.00 0.00 C ATOM 1034 OH TYR A 67 1.409 -5.475 -8.868 1.00 0.00 O ATOM 0 H TYR A 67 -0.532 -2.565 -3.405 1.00 0.00 H new ATOM 0 HA TYR A 67 0.909 -0.123 -3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.625 -0.757 -5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.673 -2.033 -3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.601 -4.273 -4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.143 -1.247 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.319 -5.951 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.854 -2.920 -9.246 1.00 0.00 H new ATOM 0 HH TYR A 67 1.486 -5.042 -9.744 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.364 0.222 -5.890 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.315 0.485 -6.963 1.00 0.00 C ATOM 1046 C ASP A 68 -0.717 1.431 -8.000 1.00 0.00 C ATOM 1047 O ASP A 68 0.363 1.987 -7.797 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.605 1.079 -6.397 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.797 0.846 -7.304 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.095 -0.329 -7.603 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.434 1.840 -7.713 1.00 0.00 O ATOM 0 H ASP A 68 0.226 1.017 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.544 -0.462 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.805 0.640 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.472 2.150 -6.245 1.00 0.00 H new ATOM 1056 N SER A 69 -1.426 1.610 -9.110 1.00 0.00 N ATOM 1057 CA SER A 69 -0.962 2.485 -10.180 1.00 0.00 C ATOM 1058 C SER A 69 -0.474 3.818 -9.619 1.00 0.00 C ATOM 1059 O SER A 69 0.663 4.223 -9.854 1.00 0.00 O ATOM 1060 CB SER A 69 -2.084 2.726 -11.193 1.00 0.00 C ATOM 1061 OG SER A 69 -3.269 3.157 -10.547 1.00 0.00 O ATOM 0 H SER A 69 -2.324 1.161 -9.292 1.00 0.00 H new ATOM 0 HA SER A 69 -0.128 1.994 -10.681 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.768 3.475 -11.919 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.281 1.808 -11.747 1.00 0.00 H new ATOM 0 HG SER A 69 -3.970 3.306 -11.215 1.00 0.00 H new ATOM 1067 N ASN A 70 -1.344 4.494 -8.876 1.00 0.00 N ATOM 1068 CA ASN A 70 -1.003 5.781 -8.281 1.00 0.00 C ATOM 1069 C ASN A 70 -1.425 5.832 -6.816 1.00 0.00 C ATOM 1070 O ASN A 70 -1.962 6.837 -6.347 1.00 0.00 O ATOM 1071 CB ASN A 70 -1.673 6.918 -9.056 1.00 0.00 C ATOM 1072 CG ASN A 70 -1.195 8.285 -8.606 1.00 0.00 C ATOM 1073 OD1 ASN A 70 0.002 8.507 -8.425 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.131 9.208 -8.423 1.00 0.00 N ATOM 0 H ASN A 70 -2.290 4.172 -8.672 1.00 0.00 H new ATOM 0 HA ASN A 70 0.079 5.902 -8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.470 6.797 -10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.754 6.854 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.870 10.146 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.112 8.979 -8.585 1.00 0.00 H new ATOM 1081 N LEU A 71 -1.179 4.743 -6.097 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.532 4.663 -4.684 1.00 0.00 C ATOM 1083 C LEU A 71 -0.599 3.711 -3.942 1.00 0.00 C ATOM 1084 O LEU A 71 -0.374 2.581 -4.377 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.982 4.200 -4.526 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.705 4.677 -3.265 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.064 4.079 -2.023 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.700 6.197 -3.191 1.00 0.00 C ATOM 0 H LEU A 71 -0.736 3.903 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.425 5.658 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.547 4.538 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.998 3.110 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.740 4.338 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.592 4.430 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.120 2.992 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.020 4.386 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.218 6.519 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.671 6.557 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.207 6.606 -4.065 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.061 4.174 -2.819 1.00 0.00 N ATOM 1101 CA PHE A 72 0.847 3.363 -2.016 1.00 0.00 C ATOM 1102 C PHE A 72 0.584 3.566 -0.527 1.00 0.00 C ATOM 1103 O PHE A 72 0.883 4.623 0.029 1.00 0.00 O ATOM 1104 CB PHE A 72 2.301 3.713 -2.341 1.00 0.00 C ATOM 1105 CG PHE A 72 3.295 3.046 -1.434 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.324 1.666 -1.312 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.202 3.799 -0.705 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.238 1.050 -0.477 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.118 3.188 0.130 1.00 0.00 C ATOM 1110 CZ PHE A 72 5.136 1.812 0.244 1.00 0.00 C ATOM 0 H PHE A 72 -0.238 5.106 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 72 0.670 2.315 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.513 3.428 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.430 4.793 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.625 1.065 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.193 4.876 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.250 -0.026 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.819 3.786 0.693 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.851 1.333 0.896 1.00 0.00 H new ATOM 1120 N SER A 73 0.023 2.545 0.114 1.00 0.00 N ATOM 1121 CA SER A 73 -0.284 2.612 1.538 1.00 0.00 C ATOM 1122 C SER A 73 0.267 1.393 2.271 1.00 0.00 C ATOM 1123 O SER A 73 0.677 0.413 1.648 1.00 0.00 O ATOM 1124 CB SER A 73 -1.796 2.709 1.750 1.00 0.00 C ATOM 1125 OG SER A 73 -2.116 2.749 3.130 1.00 0.00 O ATOM 0 H SER A 73 -0.228 1.662 -0.330 1.00 0.00 H new ATOM 0 HA SER A 73 0.191 3.504 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.179 3.604 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.287 1.855 1.284 1.00 0.00 H new ATOM 0 HG SER A 73 -1.561 3.423 3.575 1.00 0.00 H new ATOM 1131 N PHE A 74 0.272 1.460 3.598 1.00 0.00 N ATOM 1132 CA PHE A 74 0.773 0.363 4.417 1.00 0.00 C ATOM 1133 C PHE A 74 0.080 0.339 5.776 1.00 0.00 C ATOM 1134 O PHE A 74 -0.207 1.386 6.356 1.00 0.00 O ATOM 1135 CB PHE A 74 2.286 0.489 4.605 1.00 0.00 C ATOM 1136 CG PHE A 74 2.705 1.779 5.251 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.426 2.024 6.586 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.377 2.748 4.523 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.810 3.210 7.183 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.764 3.935 5.115 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.479 4.167 6.446 1.00 0.00 C ATOM 0 H PHE A 74 -0.065 2.263 4.129 1.00 0.00 H new ATOM 0 HA PHE A 74 0.555 -0.572 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.639 -0.344 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.773 0.403 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.902 1.279 7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.601 2.573 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.587 3.388 8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.289 4.681 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.779 5.095 6.910 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.184 -0.863 6.278 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.845 -1.024 7.568 1.00 0.00 C ATOM 1153 C GLU A 75 0.176 -1.271 8.675 1.00 0.00 C ATOM 1154 O GLU A 75 1.229 -1.864 8.442 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.844 -2.181 7.514 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.837 -2.182 8.664 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.329 -3.575 9.008 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -4.016 -4.187 8.164 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -3.027 -4.052 10.122 1.00 0.00 O ATOM 0 H GLU A 75 0.050 -1.739 5.811 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.381 -0.101 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.391 -2.134 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.296 -3.123 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.370 -1.738 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.689 -1.554 8.404 1.00 0.00 H new ATOM 1166 N SER A 76 -0.143 -0.809 9.880 1.00 0.00 N ATOM 1167 CA SER A 76 0.748 -0.975 11.022 1.00 0.00 C ATOM 1168 C SER A 76 -0.049 -1.166 12.309 1.00 0.00 C ATOM 1169 O SER A 76 -1.184 -0.706 12.424 1.00 0.00 O ATOM 1170 CB SER A 76 1.671 0.237 11.156 1.00 0.00 C ATOM 1171 OG SER A 76 2.653 0.246 10.134 1.00 0.00 O ATOM 0 H SER A 76 -1.011 -0.317 10.090 1.00 0.00 H new ATOM 0 HA SER A 76 1.353 -1.866 10.853 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.083 1.153 11.107 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.157 0.222 12.132 1.00 0.00 H new ATOM 0 HG SER A 76 3.229 1.031 10.241 1.00 0.00 H new ATOM 1177 N GLY A 77 0.555 -1.850 13.276 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.112 -2.091 14.542 1.00 0.00 C ATOM 1179 C GLY A 77 -0.166 -0.852 15.414 1.00 0.00 C ATOM 1180 O GLY A 77 -0.239 0.268 14.909 1.00 0.00 O ATOM 0 H GLY A 77 1.494 -2.241 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.126 -2.443 14.354 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.407 -2.886 15.077 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.132 -1.053 16.728 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.180 0.057 17.672 1.00 0.00 C ATOM 1186 C ARG A 78 1.191 0.298 18.297 1.00 0.00 C ATOM 1187 O ARG A 78 1.582 1.440 18.538 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.210 -0.222 18.767 1.00 0.00 C ATOM 1189 CG ARG A 78 -0.649 -0.998 19.948 1.00 0.00 C ATOM 1190 CD ARG A 78 -0.028 -0.069 20.980 1.00 0.00 C ATOM 1191 NE ARG A 78 -0.995 0.350 21.992 1.00 0.00 N ATOM 1192 CZ ARG A 78 -0.856 1.443 22.733 1.00 0.00 C ATOM 1193 NH1 ARG A 78 0.203 2.224 22.576 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -1.779 1.758 23.633 1.00 0.00 N ATOM 0 H ARG A 78 -0.071 -1.974 17.162 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.474 0.954 17.126 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.613 0.725 19.124 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.042 -0.781 18.338 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.444 -1.581 20.413 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.101 -1.706 19.596 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.808 -0.573 21.464 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.377 0.811 20.479 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.822 -0.229 22.137 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.914 1.986 21.884 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.307 3.063 23.147 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.596 1.160 23.756 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.671 2.598 24.202 1.00 0.00 H new ATOM 1208 N ARG A 79 1.916 -0.785 18.558 1.00 0.00 N ATOM 1209 CA ARG A 79 3.242 -0.691 19.157 1.00 0.00 C ATOM 1210 C ARG A 79 4.067 0.401 18.482 1.00 0.00 C ATOM 1211 O ARG A 79 4.986 0.959 19.083 1.00 0.00 O ATOM 1212 CB ARG A 79 3.968 -2.033 19.052 1.00 0.00 C ATOM 1213 CG ARG A 79 4.179 -2.501 17.622 1.00 0.00 C ATOM 1214 CD ARG A 79 4.450 -3.996 17.559 1.00 0.00 C ATOM 1215 NE ARG A 79 5.806 -4.325 17.993 1.00 0.00 N ATOM 1216 CZ ARG A 79 6.154 -5.510 18.483 1.00 0.00 C ATOM 1217 NH1 ARG A 79 5.250 -6.473 18.601 1.00 0.00 N ATOM 1218 NH2 ARG A 79 7.407 -5.732 18.856 1.00 0.00 N ATOM 0 H ARG A 79 1.607 -1.738 18.364 1.00 0.00 H new ATOM 0 HA ARG A 79 3.121 -0.433 20.209 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.937 -1.952 19.545 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.397 -2.788 19.592 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.297 -2.265 17.027 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.016 -1.960 17.181 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.731 -4.522 18.187 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.300 -4.349 16.539 1.00 0.00 H new ATOM 0 HE ARG A 79 6.525 -3.605 17.916 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.285 -6.305 18.315 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.519 -7.382 18.977 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.104 -4.993 18.767 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.674 -6.642 19.232 1.00 0.00 H new ATOM 1232 N CYS A 80 3.734 0.699 17.232 1.00 0.00 N ATOM 1233 CA CYS A 80 4.445 1.723 16.474 1.00 0.00 C ATOM 1234 C CYS A 80 4.217 3.104 17.080 1.00 0.00 C ATOM 1235 O CYS A 80 3.261 3.314 17.827 1.00 0.00 O ATOM 1236 CB CYS A 80 3.993 1.712 15.014 1.00 0.00 C ATOM 1237 SG CYS A 80 2.198 1.670 14.796 1.00 0.00 S ATOM 0 H CYS A 80 2.976 0.246 16.721 1.00 0.00 H new ATOM 0 HA CYS A 80 5.511 1.499 16.518 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.388 2.598 14.516 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.429 0.846 14.517 1.00 0.00 H new ATOM 0 HG CYS A 80 1.801 0.436 14.699 1.00 0.00 H new ATOM 1243 N GLN A 81 5.101 4.041 16.754 1.00 0.00 N ATOM 1244 CA GLN A 81 4.997 5.401 17.268 1.00 0.00 C ATOM 1245 C GLN A 81 3.611 5.979 17.002 1.00 0.00 C ATOM 1246 O GLN A 81 2.835 6.213 17.929 1.00 0.00 O ATOM 1247 CB GLN A 81 6.065 6.293 16.633 1.00 0.00 C ATOM 1248 CG GLN A 81 5.852 7.776 16.890 1.00 0.00 C ATOM 1249 CD GLN A 81 7.149 8.560 16.891 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.145 8.134 17.477 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.144 9.714 16.234 1.00 0.00 N ATOM 0 H GLN A 81 5.897 3.883 16.136 1.00 0.00 H new ATOM 0 HA GLN A 81 5.156 5.368 18.346 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.043 6.003 17.017 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.080 6.118 15.557 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.187 8.181 16.127 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.352 7.906 17.850 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.296 10.029 15.762 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.988 10.286 16.201 1.00 0.00 H new ATOM 1260 N THR A 82 3.305 6.208 15.728 1.00 0.00 N ATOM 1261 CA THR A 82 2.014 6.760 15.340 1.00 0.00 C ATOM 1262 C THR A 82 0.868 5.973 15.966 1.00 0.00 C ATOM 1263 O THR A 82 -0.178 6.533 16.290 1.00 0.00 O ATOM 1264 CB THR A 82 1.842 6.764 13.809 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.130 5.465 13.280 1.00 0.00 O ATOM 1266 CG2 THR A 82 2.759 7.793 13.164 1.00 0.00 C ATOM 0 H THR A 82 3.935 6.019 14.948 1.00 0.00 H new ATOM 0 HA THR A 82 1.988 7.787 15.704 1.00 0.00 H new ATOM 0 HB THR A 82 0.809 7.028 13.583 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.309 4.931 13.260 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.620 7.777 12.083 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.519 8.785 13.547 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.796 7.555 13.400 1.00 0.00 H new ATOM 1274 N GLY A 83 1.074 4.670 16.134 1.00 0.00 N ATOM 1275 CA GLY A 83 0.049 3.828 16.722 1.00 0.00 C ATOM 1276 C GLY A 83 -0.887 3.243 15.683 1.00 0.00 C ATOM 1277 O GLY A 83 -0.743 3.509 14.490 1.00 0.00 O ATOM 0 H GLY A 83 1.932 4.183 15.874 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.523 3.018 17.277 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.528 4.411 17.440 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.846 2.443 16.137 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.808 1.817 15.237 1.00 0.00 C ATOM 1283 C GLN A 84 -3.321 2.818 14.207 1.00 0.00 C ATOM 1284 O GLN A 84 -3.540 3.988 14.519 1.00 0.00 O ATOM 1285 CB GLN A 84 -3.980 1.239 16.031 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.590 2.221 17.018 1.00 0.00 C ATOM 1287 CD GLN A 84 -5.867 1.699 17.647 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.209 0.525 17.502 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.581 2.572 18.349 1.00 0.00 N ATOM 0 H GLN A 84 -1.978 2.213 17.122 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.301 1.008 14.710 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.752 0.909 15.335 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.641 0.356 16.573 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.866 2.439 17.803 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.799 3.161 16.507 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.259 3.535 18.443 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.451 2.279 18.794 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.509 2.350 12.977 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.994 3.218 11.919 1.00 0.00 C ATOM 1300 C GLY A 85 -3.246 3.018 10.616 1.00 0.00 C ATOM 1301 O GLY A 85 -2.067 2.663 10.618 1.00 0.00 O ATOM 0 H GLY A 85 -3.334 1.386 12.694 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.055 3.030 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.898 4.257 12.233 1.00 0.00 H new ATOM 1305 N ILE A 86 -3.932 3.244 9.501 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.325 3.086 8.186 1.00 0.00 C ATOM 1307 C ILE A 86 -3.019 4.440 7.555 1.00 0.00 C ATOM 1308 O ILE A 86 -3.833 5.361 7.611 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.236 2.285 7.237 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.379 0.843 7.728 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.683 2.315 5.820 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.589 0.130 7.166 1.00 0.00 C ATOM 0 H ILE A 86 -4.909 3.537 9.482 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.395 2.537 8.333 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.223 2.747 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.482 0.286 7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.440 0.843 8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.338 1.744 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.628 3.347 5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.686 1.875 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.626 -0.887 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.494 0.664 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.520 0.098 6.079 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.839 4.553 6.953 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.425 5.795 6.311 1.00 0.00 C ATOM 1326 C PHE A 87 -1.119 5.567 4.833 1.00 0.00 C ATOM 1327 O PHE A 87 -0.290 4.726 4.483 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.196 6.373 7.015 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.356 6.487 8.504 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.138 7.489 9.055 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.276 5.593 9.352 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.288 7.596 10.425 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.130 5.695 10.723 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.653 6.699 11.260 1.00 0.00 C ATOM 0 H PHE A 87 -1.153 3.800 6.897 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.247 6.507 6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.667 5.743 6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.018 7.360 6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.636 8.195 8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.890 4.807 8.938 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.902 8.381 10.842 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.627 4.991 11.374 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.768 6.782 12.331 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.793 6.321 3.972 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.593 6.203 2.533 1.00 0.00 C ATOM 1346 C ALA A 88 -0.692 7.317 2.011 1.00 0.00 C ATOM 1347 O ALA A 88 -0.457 8.311 2.697 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.932 6.221 1.810 1.00 0.00 C ATOM 0 H ALA A 88 -2.483 7.021 4.246 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.100 5.251 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.767 6.132 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.542 5.386 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.447 7.158 2.022 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.191 7.144 0.792 1.00 0.00 N ATOM 1355 CA PHE A 89 0.685 8.135 0.179 1.00 0.00 C ATOM 1356 C PHE A 89 0.641 8.032 -1.343 1.00 0.00 C ATOM 1357 O PHE A 89 0.955 6.988 -1.916 1.00 0.00 O ATOM 1358 CB PHE A 89 2.122 7.951 0.672 1.00 0.00 C ATOM 1359 CG PHE A 89 2.246 7.946 2.169 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.387 9.132 2.870 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.221 6.754 2.875 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.501 9.131 4.247 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.334 6.746 4.252 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.475 7.936 4.939 1.00 0.00 C ATOM 0 H PHE A 89 -0.377 6.327 0.210 1.00 0.00 H new ATOM 0 HA PHE A 89 0.332 9.125 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.515 7.013 0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.742 8.751 0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.408 10.069 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.112 5.821 2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.610 10.063 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.312 5.810 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.565 7.932 6.015 1.00 0.00 H new ATOM 1374 N LYS A 90 0.249 9.122 -1.993 1.00 0.00 N ATOM 1375 CA LYS A 90 0.163 9.158 -3.448 1.00 0.00 C ATOM 1376 C LYS A 90 1.550 9.073 -4.077 1.00 0.00 C ATOM 1377 O LYS A 90 2.396 9.940 -3.856 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.539 10.438 -3.907 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.050 10.306 -3.989 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.674 11.484 -4.719 1.00 0.00 C ATOM 1381 CE LYS A 90 -4.141 11.233 -5.032 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.750 12.367 -5.781 1.00 0.00 N ATOM 0 H LYS A 90 -0.015 9.994 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.418 8.295 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.290 11.246 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.154 10.723 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.308 9.380 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.465 10.238 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.580 12.382 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.130 11.669 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.236 10.318 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.689 11.075 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.497 12.007 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.160 13.047 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.019 12.840 -6.349 1.00 0.00 H new ATOM 1396 N CYS A 91 1.776 8.025 -4.861 1.00 0.00 N ATOM 1397 CA CYS A 91 3.061 7.828 -5.523 1.00 0.00 C ATOM 1398 C CYS A 91 2.867 7.289 -6.937 1.00 0.00 C ATOM 1399 O CYS A 91 1.776 6.850 -7.301 1.00 0.00 O ATOM 1400 CB CYS A 91 3.933 6.867 -4.713 1.00 0.00 C ATOM 1401 SG CYS A 91 5.708 7.168 -4.874 1.00 0.00 S ATOM 0 H CYS A 91 1.086 7.299 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 91 3.561 8.794 -5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.657 6.941 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.718 5.846 -5.028 1.00 0.00 H new ATOM 0 HG CYS A 91 5.982 8.373 -4.471 1.00 0.00 H new ATOM 1407 N SER A 92 3.933 7.328 -7.730 1.00 0.00 N ATOM 1408 CA SER A 92 3.879 6.849 -9.106 1.00 0.00 C ATOM 1409 C SER A 92 4.656 5.544 -9.258 1.00 0.00 C ATOM 1410 O SER A 92 4.294 4.684 -10.061 1.00 0.00 O ATOM 1411 CB SER A 92 4.444 7.905 -10.058 1.00 0.00 C ATOM 1412 OG SER A 92 3.541 8.987 -10.212 1.00 0.00 O ATOM 0 H SER A 92 4.844 7.686 -7.443 1.00 0.00 H new ATOM 0 HA SER A 92 2.835 6.662 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.396 8.273 -9.675 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.645 7.453 -11.030 1.00 0.00 H new ATOM 0 HG SER A 92 3.925 9.649 -10.823 1.00 0.00 H new ATOM 1418 N ARG A 93 5.724 5.405 -8.480 1.00 0.00 N ATOM 1419 CA ARG A 93 6.553 4.207 -8.528 1.00 0.00 C ATOM 1420 C ARG A 93 6.179 3.241 -7.408 1.00 0.00 C ATOM 1421 O ARG A 93 7.045 2.607 -6.806 1.00 0.00 O ATOM 1422 CB ARG A 93 8.033 4.580 -8.422 1.00 0.00 C ATOM 1423 CG ARG A 93 8.417 5.171 -7.075 1.00 0.00 C ATOM 1424 CD ARG A 93 9.515 6.213 -7.217 1.00 0.00 C ATOM 1425 NE ARG A 93 9.214 7.185 -8.265 1.00 0.00 N ATOM 1426 CZ ARG A 93 8.399 8.220 -8.095 1.00 0.00 C ATOM 1427 NH1 ARG A 93 7.806 8.417 -6.926 1.00 0.00 N ATOM 1428 NH2 ARG A 93 8.176 9.062 -9.097 1.00 0.00 N ATOM 0 H ARG A 93 6.036 6.107 -7.809 1.00 0.00 H new ATOM 0 HA ARG A 93 6.378 3.713 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.637 3.691 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.275 5.297 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.541 5.625 -6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.753 4.375 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.647 6.732 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.459 5.717 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 93 9.654 7.062 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.975 7.773 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.181 9.213 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.631 8.914 -9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.550 9.857 -8.966 1.00 0.00 H new ATOM 1442 N ALA A 94 4.883 3.137 -7.132 1.00 0.00 N ATOM 1443 CA ALA A 94 4.394 2.248 -6.085 1.00 0.00 C ATOM 1444 C ALA A 94 5.012 0.860 -6.210 1.00 0.00 C ATOM 1445 O ALA A 94 5.600 0.345 -5.259 1.00 0.00 O ATOM 1446 CB ALA A 94 2.876 2.159 -6.135 1.00 0.00 C ATOM 0 H ALA A 94 4.153 3.657 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 94 4.691 2.663 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.525 1.492 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.448 3.151 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.566 1.770 -7.105 1.00 0.00 H new ATOM 1452 N GLU A 95 4.875 0.260 -7.388 1.00 0.00 N ATOM 1453 CA GLU A 95 5.419 -1.070 -7.636 1.00 0.00 C ATOM 1454 C GLU A 95 6.874 -1.155 -7.186 1.00 0.00 C ATOM 1455 O GLU A 95 7.238 -2.017 -6.387 1.00 0.00 O ATOM 1456 CB GLU A 95 5.311 -1.421 -9.121 1.00 0.00 C ATOM 1457 CG GLU A 95 5.483 -2.903 -9.410 1.00 0.00 C ATOM 1458 CD GLU A 95 4.703 -3.354 -10.630 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.974 -2.520 -11.208 1.00 0.00 O ATOM 1460 OE2 GLU A 95 4.820 -4.539 -11.005 1.00 0.00 O ATOM 0 H GLU A 95 4.392 0.674 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 95 4.836 -1.787 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.339 -1.097 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.066 -0.862 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.541 -3.120 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.159 -3.478 -8.543 1.00 0.00 H new ATOM 1467 N GLU A 96 7.702 -0.253 -7.705 1.00 0.00 N ATOM 1468 CA GLU A 96 9.118 -0.227 -7.358 1.00 0.00 C ATOM 1469 C GLU A 96 9.316 -0.462 -5.864 1.00 0.00 C ATOM 1470 O GLU A 96 10.050 -1.364 -5.459 1.00 0.00 O ATOM 1471 CB GLU A 96 9.740 1.112 -7.762 1.00 0.00 C ATOM 1472 CG GLU A 96 9.884 1.288 -9.264 1.00 0.00 C ATOM 1473 CD GLU A 96 10.909 0.347 -9.866 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.021 0.246 -9.307 1.00 0.00 O ATOM 1475 OE2 GLU A 96 10.599 -0.289 -10.896 1.00 0.00 O ATOM 0 H GLU A 96 7.416 0.469 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 96 9.615 -1.030 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.127 1.922 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.722 1.201 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.918 1.120 -9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.170 2.317 -9.480 1.00 0.00 H new ATOM 1482 N ILE A 97 8.657 0.355 -5.049 1.00 0.00 N ATOM 1483 CA ILE A 97 8.760 0.236 -3.600 1.00 0.00 C ATOM 1484 C ILE A 97 8.233 -1.113 -3.121 1.00 0.00 C ATOM 1485 O ILE A 97 8.709 -1.659 -2.125 1.00 0.00 O ATOM 1486 CB ILE A 97 7.986 1.360 -2.886 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.462 2.728 -3.379 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.156 1.245 -1.379 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.388 3.793 -3.332 1.00 0.00 C ATOM 0 H ILE A 97 8.046 1.107 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 97 9.818 0.320 -3.351 1.00 0.00 H new ATOM 0 HB ILE A 97 6.926 1.258 -3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.309 3.050 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.822 2.631 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.603 2.046 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.774 0.281 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.213 1.325 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.795 4.737 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.550 3.493 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.044 3.918 -2.305 1.00 0.00 H new ATOM 1501 N PHE A 98 7.249 -1.645 -3.837 1.00 0.00 N ATOM 1502 CA PHE A 98 6.657 -2.931 -3.485 1.00 0.00 C ATOM 1503 C PHE A 98 7.613 -4.076 -3.807 1.00 0.00 C ATOM 1504 O PHE A 98 7.664 -5.076 -3.092 1.00 0.00 O ATOM 1505 CB PHE A 98 5.336 -3.130 -4.232 1.00 0.00 C ATOM 1506 CG PHE A 98 5.098 -4.550 -4.660 1.00 0.00 C ATOM 1507 CD1 PHE A 98 5.629 -5.028 -5.847 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.342 -5.406 -3.876 1.00 0.00 C ATOM 1509 CE1 PHE A 98 5.412 -6.334 -6.244 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.121 -6.713 -4.268 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.656 -7.177 -5.454 1.00 0.00 C ATOM 0 H PHE A 98 6.844 -1.206 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 98 6.464 -2.932 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.514 -2.809 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.325 -2.487 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.220 -4.372 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.921 -5.048 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.833 -6.695 -7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.531 -7.371 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.483 -8.197 -5.763 1.00 0.00 H new ATOM 1521 N ASN A 99 8.370 -3.921 -4.888 1.00 0.00 N ATOM 1522 CA ASN A 99 9.324 -4.942 -5.306 1.00 0.00 C ATOM 1523 C ASN A 99 10.529 -4.975 -4.370 1.00 0.00 C ATOM 1524 O ASN A 99 11.169 -6.014 -4.201 1.00 0.00 O ATOM 1525 CB ASN A 99 9.786 -4.681 -6.741 1.00 0.00 C ATOM 1526 CG ASN A 99 8.706 -4.986 -7.760 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.923 -5.921 -7.590 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.659 -4.197 -8.827 1.00 0.00 N ATOM 0 H ASN A 99 8.342 -3.098 -5.490 1.00 0.00 H new ATOM 0 HA ASN A 99 8.825 -5.910 -5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.090 -3.639 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.665 -5.290 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.954 -4.354 -9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.328 -3.434 -8.927 1.00 0.00 H new ATOM 1535 N LEU A 100 10.833 -3.832 -3.765 1.00 0.00 N ATOM 1536 CA LEU A 100 11.961 -3.730 -2.846 1.00 0.00 C ATOM 1537 C LEU A 100 11.545 -4.114 -1.429 1.00 0.00 C ATOM 1538 O LEU A 100 12.259 -4.840 -0.736 1.00 0.00 O ATOM 1539 CB LEU A 100 12.526 -2.308 -2.856 1.00 0.00 C ATOM 1540 CG LEU A 100 14.025 -2.180 -2.583 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.545 -0.839 -3.080 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.313 -2.349 -1.099 1.00 0.00 C ATOM 0 H LEU A 100 10.314 -2.963 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 100 12.733 -4.423 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.314 -1.861 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.990 -1.720 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 100 14.543 -2.971 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.613 -0.765 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.373 -0.757 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.022 -0.033 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.385 -2.255 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.784 -1.580 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.977 -3.333 -0.773 1.00 0.00 H new ATOM 1554 N LEU A 101 10.386 -3.623 -1.005 1.00 0.00 N ATOM 1555 CA LEU A 101 9.873 -3.916 0.328 1.00 0.00 C ATOM 1556 C LEU A 101 10.008 -5.401 0.650 1.00 0.00 C ATOM 1557 O LEU A 101 10.571 -5.774 1.678 1.00 0.00 O ATOM 1558 CB LEU A 101 8.408 -3.491 0.438 1.00 0.00 C ATOM 1559 CG LEU A 101 8.156 -2.085 0.986 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.686 -1.719 0.861 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.611 -1.989 2.435 1.00 0.00 C ATOM 0 H LEU A 101 9.784 -3.020 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 101 10.464 -3.351 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.955 -3.560 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.890 -4.206 1.077 1.00 0.00 H new ATOM 0 HG LEU A 101 8.736 -1.376 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.526 -0.716 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.392 -1.747 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.084 -2.431 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.424 -0.982 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.058 -2.709 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.677 -2.207 2.497 1.00 0.00 H new ATOM 1573 N GLN A 102 9.490 -6.243 -0.239 1.00 0.00 N ATOM 1574 CA GLN A 102 9.554 -7.688 -0.050 1.00 0.00 C ATOM 1575 C GLN A 102 11.002 -8.161 0.039 1.00 0.00 C ATOM 1576 O GLN A 102 11.324 -9.059 0.817 1.00 0.00 O ATOM 1577 CB GLN A 102 8.840 -8.406 -1.196 1.00 0.00 C ATOM 1578 CG GLN A 102 9.462 -8.144 -2.559 1.00 0.00 C ATOM 1579 CD GLN A 102 8.809 -8.951 -3.663 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.251 -8.394 -4.609 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.874 -10.273 -3.548 1.00 0.00 N ATOM 0 H GLN A 102 9.022 -5.950 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 102 9.053 -7.929 0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.847 -9.479 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.796 -8.093 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.381 -7.083 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.525 -8.381 -2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.346 -10.693 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.452 -10.868 -4.260 1.00 0.00 H new ATOM 1590 N ASP A 103 11.868 -7.551 -0.762 1.00 0.00 N ATOM 1591 CA ASP A 103 13.282 -7.909 -0.773 1.00 0.00 C ATOM 1592 C ASP A 103 13.912 -7.676 0.597 1.00 0.00 C ATOM 1593 O ASP A 103 14.910 -8.308 0.949 1.00 0.00 O ATOM 1594 CB ASP A 103 14.027 -7.100 -1.835 1.00 0.00 C ATOM 1595 CG ASP A 103 14.048 -7.795 -3.183 1.00 0.00 C ATOM 1596 OD1 ASP A 103 14.694 -8.858 -3.293 1.00 0.00 O ATOM 1597 OD2 ASP A 103 13.417 -7.275 -4.127 1.00 0.00 O ATOM 0 H ASP A 103 11.616 -6.806 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 103 13.361 -8.969 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.555 -6.123 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.051 -6.926 -1.503 1.00 0.00 H new ATOM 1602 N LEU A 104 13.326 -6.765 1.365 1.00 0.00 N ATOM 1603 CA LEU A 104 13.830 -6.447 2.696 1.00 0.00 C ATOM 1604 C LEU A 104 13.136 -7.292 3.758 1.00 0.00 C ATOM 1605 O LEU A 104 13.722 -7.614 4.791 1.00 0.00 O ATOM 1606 CB LEU A 104 13.628 -4.961 2.998 1.00 0.00 C ATOM 1607 CG LEU A 104 14.088 -3.987 1.913 1.00 0.00 C ATOM 1608 CD1 LEU A 104 13.662 -2.567 2.255 1.00 0.00 C ATOM 1609 CD2 LEU A 104 15.597 -4.064 1.731 1.00 0.00 C ATOM 0 H LEU A 104 12.501 -6.233 1.089 1.00 0.00 H new ATOM 0 HA LEU A 104 14.896 -6.674 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.568 -4.790 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.158 -4.723 3.920 1.00 0.00 H new ATOM 0 HG LEU A 104 13.614 -4.270 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.998 -1.888 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.576 -2.522 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.107 -2.273 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.906 -3.364 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.090 -3.807 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.877 -5.076 1.439 1.00 0.00 H new ATOM 1621 N MET A 105 11.883 -7.650 3.496 1.00 0.00 N ATOM 1622 CA MET A 105 11.109 -8.462 4.428 1.00 0.00 C ATOM 1623 C MET A 105 11.666 -9.880 4.506 1.00 0.00 C ATOM 1624 O MET A 105 11.992 -10.369 5.587 1.00 0.00 O ATOM 1625 CB MET A 105 9.639 -8.501 4.006 1.00 0.00 C ATOM 1626 CG MET A 105 8.958 -7.143 4.049 1.00 0.00 C ATOM 1627 SD MET A 105 8.561 -6.618 5.728 1.00 0.00 S ATOM 1628 CE MET A 105 6.771 -6.626 5.671 1.00 0.00 C ATOM 0 H MET A 105 11.382 -7.391 2.646 1.00 0.00 H new ATOM 0 HA MET A 105 11.183 -8.007 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.570 -8.901 2.994 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.101 -9.189 4.658 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.607 -6.401 3.584 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.043 -7.181 3.458 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.374 -6.569 6.685 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.421 -5.769 5.095 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.426 -7.546 5.198 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.131 11.166 7.837 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.584 11.038 7.840 1.00 0.00 C ATOM 2277 C PHE B 2 -4.002 9.596 8.110 1.00 0.00 C ATOM 2278 O PHE B 2 -3.553 8.671 7.434 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.161 11.506 6.502 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.661 11.459 6.447 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.321 10.265 6.207 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.411 12.609 6.636 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.702 10.219 6.155 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.791 12.569 6.586 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.438 11.372 6.345 1.00 0.00 C ATOM 0 HA PHE B 2 -3.978 11.668 8.638 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.830 12.527 6.310 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.756 10.884 5.703 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.751 9.360 6.059 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -5.911 13.547 6.825 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.205 9.282 5.966 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.364 13.472 6.735 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.517 11.338 6.305 1.00 0.00 H new ATOM 2295 N ARG B 3 -4.865 9.413 9.105 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.343 8.084 9.467 1.00 0.00 C ATOM 2297 C ARG B 3 -6.434 7.619 8.506 1.00 0.00 C ATOM 2298 O ARG B 3 -7.351 8.372 8.179 1.00 0.00 O ATOM 2299 CB ARG B 3 -5.878 8.084 10.900 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.256 8.710 11.036 1.00 0.00 C ATOM 2301 CD ARG B 3 -8.357 7.674 10.867 1.00 0.00 C ATOM 2302 NE ARG B 3 -8.717 7.045 12.134 1.00 0.00 N ATOM 2303 CZ ARG B 3 -9.539 7.595 13.021 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -10.083 8.779 12.779 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -9.817 6.960 14.152 1.00 0.00 N ATOM 0 H ARG B 3 -5.247 10.168 9.674 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.503 7.392 9.400 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -5.917 7.057 11.264 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.179 8.623 11.540 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -7.347 9.183 12.014 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -7.376 9.495 10.289 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -9.238 8.149 10.435 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -8.030 6.909 10.163 1.00 0.00 H new ATOM 0 HE ARG B 3 -8.315 6.133 12.350 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -9.871 9.270 11.910 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -10.714 9.199 13.461 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -9.400 6.049 14.341 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -10.448 7.383 14.832 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.327 6.373 8.058 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.303 5.806 7.134 1.00 0.00 C ATOM 2321 C LEU B 4 -8.226 4.825 7.851 1.00 0.00 C ATOM 2322 O LEU B 4 -7.953 4.411 8.977 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.592 5.102 5.977 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.113 6.001 4.837 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.308 5.198 3.826 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.295 6.681 4.161 1.00 0.00 C ATOM 0 H LEU B 4 -5.574 5.736 8.320 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.907 6.622 6.738 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.731 4.567 6.378 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.268 4.353 5.563 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.466 6.772 5.255 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.975 5.854 3.022 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.440 4.759 4.318 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.931 4.405 3.413 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.935 7.317 3.352 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -7.967 5.924 3.756 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -7.830 7.289 4.890 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.318 4.457 7.189 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.280 3.524 7.763 1.00 0.00 C ATOM 2340 C ARG B 5 -10.028 2.105 7.261 1.00 0.00 C ATOM 2341 O ARG B 5 -10.075 1.145 8.031 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.707 3.952 7.416 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.775 3.039 7.995 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.159 3.660 7.885 1.00 0.00 C ATOM 2345 NE ARG B 5 -15.161 2.898 8.625 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.384 3.045 9.926 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -14.678 3.921 10.628 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -16.314 2.314 10.528 1.00 0.00 N ATOM 0 H ARG B 5 -9.558 4.790 6.255 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.157 3.535 8.846 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.872 4.966 7.780 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -11.815 3.981 6.332 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.761 2.083 7.471 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.550 2.832 9.041 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.129 4.682 8.263 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.449 3.717 6.836 1.00 0.00 H new ATOM 0 HE ARG B 5 -15.721 2.215 8.114 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -13.962 4.484 10.169 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -14.851 4.032 11.627 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -16.858 1.639 9.991 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.484 2.428 11.527 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.760 1.980 5.965 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.500 0.678 5.360 1.00 0.00 C ATOM 2364 C HIS B 6 -8.260 0.730 4.472 1.00 0.00 C ATOM 2365 O HIS B 6 -7.620 1.774 4.342 1.00 0.00 O ATOM 2366 CB HIS B 6 -10.708 0.221 4.543 1.00 0.00 C ATOM 2367 CG HIS B 6 -10.798 0.867 3.194 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -10.222 0.330 2.063 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -11.404 2.012 2.799 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -10.467 1.117 1.030 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -11.183 2.144 1.451 1.00 0.00 N ATOM 0 H HIS B 6 -9.717 2.764 5.314 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.322 -0.039 6.162 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -10.662 -0.861 4.416 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -11.618 0.438 5.102 1.00 0.00 H new ATOM 0 HD1 HIS B 6 -9.690 -0.539 2.029 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -11.958 2.694 3.427 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -10.138 0.949 0.015 1.00 0.00 H new ATOM 2380 N PHE B 7 -7.926 -0.404 3.864 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.762 -0.488 2.990 1.00 0.00 C ATOM 2382 C PHE B 7 -7.162 -0.287 1.531 1.00 0.00 C ATOM 2383 O PHE B 7 -7.974 -1.027 0.976 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.069 -1.842 3.158 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.601 -1.806 2.842 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -3.795 -0.797 3.342 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.027 -2.783 2.043 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.443 -0.761 3.053 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.677 -2.753 1.751 1.00 0.00 C ATOM 2390 CZ PHE B 7 -1.884 -1.741 2.256 1.00 0.00 C ATOM 0 H PHE B 7 -8.445 -1.277 3.961 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.069 0.305 3.271 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.204 -2.186 4.184 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.554 -2.573 2.511 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.228 -0.029 3.965 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.642 -3.576 1.644 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -1.826 0.032 3.450 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.242 -3.521 1.128 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.829 -1.716 2.028 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.579 0.740 0.895 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.858 1.064 -0.507 1.00 0.00 C ATOM 2402 C PRO B 8 -6.294 0.021 -1.466 1.00 0.00 C ATOM 2403 O PRO B 8 -6.996 -0.465 -2.354 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.157 2.410 -0.707 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.071 2.426 0.312 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.602 1.664 1.495 1.00 0.00 C ATOM 0 HA PRO B 8 -7.928 1.091 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.755 2.501 -1.716 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.847 3.241 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.165 1.962 -0.076 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -4.812 3.448 0.590 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -4.809 1.128 2.016 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.070 2.327 2.223 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.023 -0.318 -1.283 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.364 -1.303 -2.133 1.00 0.00 C ATOM 2416 C CYS B 9 -5.059 -2.657 -2.035 1.00 0.00 C ATOM 2417 O CYS B 9 -5.565 -3.032 -0.978 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.892 -1.443 -1.740 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.957 0.102 -1.821 1.00 0.00 S ATOM 0 H CYS B 9 -4.428 0.075 -0.553 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.426 -0.956 -3.164 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -2.834 -1.838 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.420 -2.176 -2.395 1.00 0.00 H new ATOM 0 HG CYS B 9 -0.791 -0.067 -1.272 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.082 -3.386 -3.147 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.720 -4.690 -3.166 1.00 0.00 C ATOM 2427 C GLY B 10 -4.725 -5.824 -3.027 1.00 0.00 C ATOM 2428 O GLY B 10 -4.763 -6.576 -2.053 1.00 0.00 O ATOM 0 H GLY B 10 -4.671 -3.097 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.447 -4.747 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.272 -4.807 -4.098 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.832 -5.950 -4.003 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.823 -7.003 -3.986 1.00 0.00 C ATOM 2434 C ASN B 11 -1.726 -6.688 -2.974 1.00 0.00 C ATOM 2435 O ASN B 11 -0.723 -6.056 -3.306 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.214 -7.178 -5.378 1.00 0.00 C ATOM 2437 CG ASN B 11 -3.257 -7.509 -6.428 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -3.916 -6.620 -6.967 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -3.410 -8.795 -6.723 1.00 0.00 N ATOM 0 H ASN B 11 -3.786 -5.336 -4.816 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.309 -7.933 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.694 -6.263 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.468 -7.972 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -4.096 -9.080 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.841 -9.498 -6.251 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.922 -7.135 -1.737 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.949 -6.902 -0.677 1.00 0.00 C ATOM 2448 C VAL B 12 -0.052 -8.119 -0.478 1.00 0.00 C ATOM 2449 O VAL B 12 -0.459 -9.251 -0.734 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.642 -6.565 0.657 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.882 -5.719 0.416 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -1.994 -7.839 1.411 1.00 0.00 C ATOM 0 H VAL B 12 -2.746 -7.660 -1.445 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.341 -6.052 -0.986 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.950 -5.986 1.270 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.358 -5.491 1.370 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.598 -4.790 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.580 -6.268 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.483 -7.582 2.351 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.667 -8.446 0.806 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.084 -8.403 1.617 1.00 0.00 H new ATOM 2462 N ASN B 13 1.171 -7.877 -0.018 1.00 0.00 N ATOM 2463 CA ASN B 13 2.127 -8.953 0.216 1.00 0.00 C ATOM 2464 C ASN B 13 2.333 -9.183 1.710 1.00 0.00 C ATOM 2465 O ASN B 13 3.181 -8.546 2.335 1.00 0.00 O ATOM 2466 CB ASN B 13 3.465 -8.629 -0.451 1.00 0.00 C ATOM 2467 CG ASN B 13 4.429 -9.799 -0.412 1.00 0.00 C ATOM 2468 OD1 ASN B 13 4.172 -10.807 0.246 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.546 -9.669 -1.118 1.00 0.00 N ATOM 0 H ASN B 13 1.523 -6.945 0.200 1.00 0.00 H new ATOM 0 HA ASN B 13 1.722 -9.866 -0.221 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.291 -8.340 -1.487 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.918 -7.772 0.047 1.00 0.00 H new ATOM 0 HD21 ASN B 13 6.233 -10.423 -1.130 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.717 -8.815 -1.649 1.00 0.00 H new ATOM 2476 N TYR B 14 1.552 -10.097 2.276 1.00 0.00 N ATOM 2477 CA TYR B 14 1.648 -10.409 3.697 1.00 0.00 C ATOM 2478 C TYR B 14 3.072 -10.806 4.073 1.00 0.00 C ATOM 2479 O TYR B 14 3.706 -11.609 3.389 1.00 0.00 O ATOM 2480 CB TYR B 14 0.680 -11.538 4.058 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.693 -11.376 3.447 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.532 -10.339 3.836 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.152 -12.261 2.478 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.787 -10.189 3.281 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.406 -12.117 1.916 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.220 -11.080 2.321 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.470 -10.932 1.765 1.00 0.00 O ATOM 0 H TYR B 14 0.846 -10.634 1.773 1.00 0.00 H new ATOM 0 HA TYR B 14 1.380 -9.514 4.259 1.00 0.00 H new ATOM 0 HB2 TYR B 14 1.104 -12.487 3.731 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.582 -11.589 5.142 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.196 -9.638 4.586 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.518 -13.075 2.159 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.427 -9.378 3.597 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -2.747 -12.813 1.164 1.00 0.00 H new ATOM 0 HH TYR B 14 -4.620 -11.641 1.105 1.00 0.00 H new ATOM 2497 N GLY B 15 3.569 -10.237 5.167 1.00 0.00 N ATOM 2498 CA GLY B 15 4.914 -10.543 5.617 1.00 0.00 C ATOM 2499 C GLY B 15 4.969 -10.879 7.094 1.00 0.00 C ATOM 2500 O GLY B 15 4.551 -11.961 7.507 1.00 0.00 O ATOM 0 H GLY B 15 3.064 -9.569 5.750 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.304 -11.383 5.042 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.563 -9.691 5.417 1.00 0.00 H new