USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 775 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 60:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.709 K(o=1.4,f=-2.7) USER MOD Set 1.3: B 13 ASN : amide:sc= 0.705 K(o=1.4,f=-2.4) USER MOD Set 2.1: A 76 SER OG : rot 119:sc= 0.0221 USER MOD Set 2.2: A 80 CYS SG : rot -78:sc= 0.622 USER MOD Set 2.3: A 82 THR OG1 : rot 137:sc= 0.567 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.0431 K(o=-0.043,f=-7!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.839) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00749) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.0372 X(o=0.037,f=0.51) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00597 USER MOD Single : A 38 MET CE :methyl -177:sc= -0.266 (180deg=-0.332) USER MOD Single : A 41 THR OG1 : rot -72:sc= 1.53 USER MOD Single : A 42 GLN : amide:sc= -0.0555 K(o=-0.055,f=-2.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.835 K(o=0.83,f=-2.6!) USER MOD Single : A 59 TYR OH : rot -160:sc= 1.28 USER MOD Single : A 61 CYS SG : rot -48:sc= 0.671 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.211 X(o=0.21,f=-0.084) USER MOD Single : A 73 SER OG : rot 35:sc= 0.133 USER MOD Single : A 81 GLN : amide:sc= 0.875 K(o=0.88,f=-4.4!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 1.09 (180deg=1.03) USER MOD Single : A 91 CYS SG : rot 94:sc= 0.502 USER MOD Single : A 92 SER OG : rot -44:sc= 0.0413 USER MOD Single : A 99 ASN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 105 MET CE :methyl -147:sc= -0.179 (180deg=-1.19) USER MOD Single : B 6 HIS : no HD1:sc= 0.859 K(o=0.86,f=-2.6!) USER MOD Single : B 9 CYS SG : rot 160:sc= -0.155 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.543 -16.448 -5.639 1.00 0.00 N ATOM 203 CA HIS A 17 -3.074 -15.625 -6.769 1.00 0.00 C ATOM 204 C HIS A 17 -2.339 -14.325 -6.325 1.00 0.00 C ATOM 205 O HIS A 17 -2.720 -13.730 -5.310 1.00 0.00 O ATOM 206 CB HIS A 17 -4.286 -15.297 -7.662 1.00 0.00 C ATOM 207 CG HIS A 17 -3.920 -14.796 -9.024 1.00 0.00 C ATOM 208 ND1 HIS A 17 -3.710 -13.458 -9.345 1.00 0.00 N ATOM 209 CD2 HIS A 17 -3.660 -15.568 -10.118 1.00 0.00 C ATOM 210 CE1 HIS A 17 -3.346 -13.452 -10.639 1.00 0.00 C ATOM 211 NE2 HIS A 17 -3.308 -14.703 -11.130 1.00 0.00 N ATOM 0 HA HIS A 17 -2.331 -16.199 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.899 -16.192 -7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.900 -14.547 -7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.719 -16.645 -10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.115 -12.563 -11.207 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.062 -14.965 -12.084 1.00 0.00 H new ATOM 219 N PRO A 18 -1.301 -13.859 -7.055 1.00 0.00 N ATOM 220 CA PRO A 18 -0.536 -12.666 -6.685 1.00 0.00 C ATOM 221 C PRO A 18 -1.278 -11.326 -6.853 1.00 0.00 C ATOM 222 O PRO A 18 -0.809 -10.337 -6.288 1.00 0.00 O ATOM 223 CB PRO A 18 0.742 -12.713 -7.535 1.00 0.00 C ATOM 224 CG PRO A 18 0.324 -13.520 -8.761 1.00 0.00 C ATOM 225 CD PRO A 18 -0.635 -14.543 -8.158 1.00 0.00 C ATOM 0 HA PRO A 18 -0.335 -12.695 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.079 -11.713 -7.808 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.563 -13.191 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.163 -12.898 -9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.176 -13.996 -9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.357 -14.886 -8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.097 -15.423 -7.805 1.00 0.00 H new ATOM 233 N THR A 19 -2.412 -11.265 -7.577 1.00 0.00 N ATOM 234 CA THR A 19 -3.192 -10.022 -7.772 1.00 0.00 C ATOM 235 C THR A 19 -4.691 -10.165 -7.505 1.00 0.00 C ATOM 236 O THR A 19 -5.346 -9.156 -7.239 1.00 0.00 O ATOM 237 CB THR A 19 -2.961 -9.404 -9.159 1.00 0.00 C ATOM 238 OG1 THR A 19 -3.513 -10.228 -10.160 1.00 0.00 O ATOM 239 CG2 THR A 19 -1.478 -9.204 -9.477 1.00 0.00 C ATOM 0 H THR A 19 -2.816 -12.076 -8.045 1.00 0.00 H new ATOM 0 HA THR A 19 -2.805 -9.345 -7.011 1.00 0.00 H new ATOM 0 HB THR A 19 -3.448 -8.429 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.360 -9.822 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.375 -8.765 -10.469 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.034 -8.538 -8.737 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.967 -10.167 -9.452 1.00 0.00 H new ATOM 247 N LYS A 20 -5.234 -11.388 -7.504 1.00 0.00 N ATOM 248 CA LYS A 20 -6.608 -11.682 -7.069 1.00 0.00 C ATOM 249 C LYS A 20 -6.602 -12.344 -5.682 1.00 0.00 C ATOM 250 O LYS A 20 -5.755 -13.189 -5.386 1.00 0.00 O ATOM 251 CB LYS A 20 -7.303 -12.588 -8.105 1.00 0.00 C ATOM 252 CG LYS A 20 -7.966 -11.855 -9.278 1.00 0.00 C ATOM 253 CD LYS A 20 -6.993 -11.029 -10.129 1.00 0.00 C ATOM 254 CE LYS A 20 -7.615 -10.811 -11.511 1.00 0.00 C ATOM 255 NZ LYS A 20 -6.955 -9.710 -12.253 1.00 0.00 N ATOM 0 H LYS A 20 -4.724 -12.216 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.164 -10.748 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.567 -13.286 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.061 -13.181 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.460 -12.587 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.742 -11.196 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.791 -10.071 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.038 -11.547 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.543 -11.732 -12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.676 -10.587 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.112 -9.836 -13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.356 -8.799 -11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.934 -9.722 -12.056 1.00 0.00 H new ATOM 269 N PHE A 21 -7.571 -12.001 -4.837 1.00 0.00 N ATOM 270 CA PHE A 21 -7.656 -12.488 -3.461 1.00 0.00 C ATOM 271 C PHE A 21 -9.123 -12.745 -3.124 1.00 0.00 C ATOM 272 O PHE A 21 -9.909 -11.812 -2.986 1.00 0.00 O ATOM 273 CB PHE A 21 -7.011 -11.461 -2.510 1.00 0.00 C ATOM 274 CG PHE A 21 -5.577 -11.070 -2.839 1.00 0.00 C ATOM 275 CD1 PHE A 21 -4.498 -11.805 -2.312 1.00 0.00 C ATOM 276 CD2 PHE A 21 -5.320 -9.962 -3.672 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.173 -11.430 -2.607 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.997 -9.593 -3.973 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.923 -10.323 -3.437 1.00 0.00 C ATOM 0 H PHE A 21 -8.330 -11.369 -5.091 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.111 -13.425 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.623 -10.559 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.036 -11.864 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.687 -12.660 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.143 -9.394 -4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.348 -11.993 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.806 -8.747 -4.617 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.907 -10.034 -3.662 1.00 0.00 H new ATOM 289 N LYS A 22 -9.526 -14.012 -3.012 1.00 0.00 N ATOM 290 CA LYS A 22 -10.901 -14.336 -2.615 1.00 0.00 C ATOM 291 C LYS A 22 -11.133 -13.979 -1.144 1.00 0.00 C ATOM 292 O LYS A 22 -10.233 -14.109 -0.313 1.00 0.00 O ATOM 293 CB LYS A 22 -11.240 -15.809 -2.870 1.00 0.00 C ATOM 294 CG LYS A 22 -11.380 -16.151 -4.357 1.00 0.00 C ATOM 295 CD LYS A 22 -10.031 -16.317 -5.068 1.00 0.00 C ATOM 296 CE LYS A 22 -10.125 -17.223 -6.296 1.00 0.00 C ATOM 297 NZ LYS A 22 -10.257 -18.665 -5.947 1.00 0.00 N ATOM 0 H LYS A 22 -8.931 -14.822 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.568 -13.737 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.462 -16.435 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.171 -16.054 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.953 -17.073 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.950 -15.365 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.660 -15.338 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.304 -16.731 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.981 -16.921 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.237 -17.084 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.248 -19.235 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.463 -18.949 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.153 -18.819 -5.441 1.00 0.00 H new ATOM 311 N VAL A 23 -12.347 -13.537 -0.831 1.00 0.00 N ATOM 312 CA VAL A 23 -12.700 -12.993 0.489 1.00 0.00 C ATOM 313 C VAL A 23 -14.125 -13.367 0.885 1.00 0.00 C ATOM 314 O VAL A 23 -14.976 -13.621 0.029 1.00 0.00 O ATOM 315 CB VAL A 23 -12.512 -11.457 0.574 1.00 0.00 C ATOM 316 CG1 VAL A 23 -11.040 -11.022 0.491 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.331 -10.674 -0.462 1.00 0.00 C ATOM 0 H VAL A 23 -13.126 -13.544 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.006 -13.449 1.195 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.894 -11.207 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.977 -9.936 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.482 -11.468 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.616 -11.353 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.147 -9.607 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.037 -10.981 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.392 -10.878 -0.317 1.00 0.00 H new ATOM 327 N THR A 24 -14.383 -13.360 2.193 1.00 0.00 N ATOM 328 CA THR A 24 -15.712 -13.558 2.777 1.00 0.00 C ATOM 329 C THR A 24 -15.920 -12.481 3.822 1.00 0.00 C ATOM 330 O THR A 24 -15.194 -12.439 4.809 1.00 0.00 O ATOM 331 CB THR A 24 -15.819 -14.962 3.380 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.553 -15.925 2.383 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.212 -15.233 3.940 1.00 0.00 C ATOM 0 H THR A 24 -13.657 -13.213 2.894 1.00 0.00 H new ATOM 0 HA THR A 24 -16.489 -13.480 2.017 1.00 0.00 H new ATOM 0 HB THR A 24 -15.094 -15.025 4.192 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.620 -16.823 2.769 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.247 -16.239 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.438 -14.507 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.948 -15.147 3.141 1.00 0.00 H new ATOM 341 N ASN A 25 -16.881 -11.589 3.603 1.00 0.00 N ATOM 342 CA ASN A 25 -17.197 -10.524 4.554 1.00 0.00 C ATOM 343 C ASN A 25 -17.742 -11.127 5.862 1.00 0.00 C ATOM 344 O ASN A 25 -18.601 -12.016 5.817 1.00 0.00 O ATOM 345 CB ASN A 25 -18.180 -9.535 3.904 1.00 0.00 C ATOM 346 CG ASN A 25 -18.494 -8.358 4.817 1.00 0.00 C ATOM 347 OD1 ASN A 25 -19.624 -8.177 5.245 1.00 0.00 O ATOM 348 ND2 ASN A 25 -17.520 -7.529 5.139 1.00 0.00 N ATOM 0 H ASN A 25 -17.462 -11.582 2.765 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.295 -9.970 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.758 -9.166 2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.104 -10.055 3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.708 -6.733 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.578 -7.684 4.779 1.00 0.00 H new ATOM 355 N VAL A 26 -17.239 -10.657 7.008 1.00 0.00 N ATOM 356 CA VAL A 26 -17.594 -11.175 8.337 1.00 0.00 C ATOM 357 C VAL A 26 -18.058 -10.071 9.289 1.00 0.00 C ATOM 358 O VAL A 26 -17.695 -8.905 9.133 1.00 0.00 O ATOM 359 CB VAL A 26 -16.466 -12.007 8.993 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.096 -13.249 8.169 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.183 -11.210 9.286 1.00 0.00 C ATOM 0 H VAL A 26 -16.563 -9.894 7.041 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.432 -11.849 8.159 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.895 -12.313 9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.300 -13.797 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.970 -13.892 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.754 -12.941 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.444 -11.866 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.783 -10.808 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.412 -10.390 9.966 1.00 0.00 H new ATOM 371 N ASP A 27 -18.871 -10.457 10.276 1.00 0.00 N ATOM 372 CA ASP A 27 -19.406 -9.560 11.306 1.00 0.00 C ATOM 373 C ASP A 27 -18.482 -9.414 12.543 1.00 0.00 C ATOM 374 O ASP A 27 -17.332 -9.861 12.542 1.00 0.00 O ATOM 375 CB ASP A 27 -20.805 -10.059 11.710 1.00 0.00 C ATOM 376 CG ASP A 27 -20.746 -11.155 12.774 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.909 -12.072 12.652 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.481 -11.030 13.781 1.00 0.00 O ATOM 0 H ASP A 27 -19.183 -11.422 10.384 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.467 -8.559 10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.392 -9.221 12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.321 -10.439 10.828 1.00 0.00 H new ATOM 383 N ASP A 28 -19.007 -8.827 13.626 1.00 0.00 N ATOM 384 CA ASP A 28 -18.330 -8.707 14.925 1.00 0.00 C ATOM 385 C ASP A 28 -18.039 -10.057 15.615 1.00 0.00 C ATOM 386 O ASP A 28 -17.015 -10.185 16.288 1.00 0.00 O ATOM 387 CB ASP A 28 -19.191 -7.831 15.844 1.00 0.00 C ATOM 388 CG ASP A 28 -18.493 -7.537 17.182 1.00 0.00 C ATOM 389 OD1 ASP A 28 -17.404 -6.918 17.163 1.00 0.00 O ATOM 390 OD2 ASP A 28 -19.049 -7.907 18.244 1.00 0.00 O ATOM 0 H ASP A 28 -19.938 -8.411 13.624 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.356 -8.257 14.735 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -19.418 -6.892 15.340 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.142 -8.330 16.033 1.00 0.00 H new ATOM 395 N GLU A 29 -18.890 -11.076 15.432 1.00 0.00 N ATOM 396 CA GLU A 29 -18.638 -12.434 15.938 1.00 0.00 C ATOM 397 C GLU A 29 -17.663 -13.227 15.043 1.00 0.00 C ATOM 398 O GLU A 29 -17.237 -14.327 15.408 1.00 0.00 O ATOM 399 CB GLU A 29 -19.943 -13.239 16.094 1.00 0.00 C ATOM 400 CG GLU A 29 -21.051 -12.511 16.866 1.00 0.00 C ATOM 401 CD GLU A 29 -21.983 -13.507 17.575 1.00 0.00 C ATOM 402 OE1 GLU A 29 -22.951 -13.999 16.948 1.00 0.00 O ATOM 403 OE2 GLU A 29 -21.755 -13.803 18.773 1.00 0.00 O ATOM 0 H GLU A 29 -19.773 -10.983 14.929 1.00 0.00 H new ATOM 0 HA GLU A 29 -18.179 -12.299 16.917 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.317 -13.496 15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.718 -14.176 16.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.605 -11.840 17.601 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.630 -11.893 16.180 1.00 0.00 H new ATOM 410 N GLY A 30 -17.320 -12.696 13.862 1.00 0.00 N ATOM 411 CA GLY A 30 -16.506 -13.366 12.850 1.00 0.00 C ATOM 412 C GLY A 30 -17.276 -14.392 12.013 1.00 0.00 C ATOM 413 O GLY A 30 -16.626 -15.185 11.332 1.00 0.00 O ATOM 0 H GLY A 30 -17.612 -11.760 13.580 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.080 -12.615 12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.671 -13.866 13.342 1.00 0.00 H new ATOM 417 N VAL A 31 -18.615 -14.401 12.036 1.00 0.00 N ATOM 418 CA VAL A 31 -19.419 -15.299 11.188 1.00 0.00 C ATOM 419 C VAL A 31 -19.462 -14.809 9.747 1.00 0.00 C ATOM 420 O VAL A 31 -19.389 -13.613 9.474 1.00 0.00 O ATOM 421 CB VAL A 31 -20.864 -15.567 11.664 1.00 0.00 C ATOM 422 CG1 VAL A 31 -20.855 -16.440 12.922 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.756 -14.339 11.844 1.00 0.00 C ATOM 0 H VAL A 31 -19.171 -13.792 12.637 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.894 -16.251 11.267 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.333 -16.100 10.837 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.880 -16.621 13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.371 -17.391 12.701 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.308 -15.930 13.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.744 -14.653 12.180 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.314 -13.674 12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.846 -13.813 10.894 1.00 0.00 H new ATOM 433 N GLU A 32 -19.587 -15.767 8.834 1.00 0.00 N ATOM 434 CA GLU A 32 -19.482 -15.556 7.394 1.00 0.00 C ATOM 435 C GLU A 32 -20.837 -15.163 6.791 1.00 0.00 C ATOM 436 O GLU A 32 -21.836 -15.867 6.967 1.00 0.00 O ATOM 437 CB GLU A 32 -18.941 -16.837 6.739 1.00 0.00 C ATOM 438 CG GLU A 32 -17.496 -17.161 7.154 1.00 0.00 C ATOM 439 CD GLU A 32 -17.067 -18.542 6.633 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.480 -19.568 7.224 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.304 -18.615 5.641 1.00 0.00 O ATOM 0 H GLU A 32 -19.769 -16.739 9.082 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.794 -14.733 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.586 -17.675 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.987 -16.731 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.823 -16.397 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.412 -17.137 8.241 1.00 0.00 H new ATOM 448 N LEU A 33 -20.865 -14.028 6.083 1.00 0.00 N ATOM 449 CA LEU A 33 -22.098 -13.382 5.616 1.00 0.00 C ATOM 450 C LEU A 33 -22.292 -13.535 4.105 1.00 0.00 C ATOM 451 O LEU A 33 -23.346 -13.986 3.651 1.00 0.00 O ATOM 452 CB LEU A 33 -22.055 -11.892 6.003 1.00 0.00 C ATOM 453 CG LEU A 33 -21.724 -11.602 7.480 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.701 -10.085 7.659 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.724 -12.256 8.441 1.00 0.00 C ATOM 0 H LEU A 33 -20.019 -13.525 5.814 1.00 0.00 H new ATOM 0 HA LEU A 33 -22.946 -13.872 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.315 -11.393 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.022 -11.446 5.771 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.753 -12.033 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.469 -9.845 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.941 -9.653 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.677 -9.673 7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.447 -12.022 9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.725 -11.875 8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.712 -13.337 8.299 1.00 0.00 H new ATOM 467 N GLY A 34 -21.264 -13.164 3.335 1.00 0.00 N ATOM 468 CA GLY A 34 -21.252 -13.237 1.867 1.00 0.00 C ATOM 469 C GLY A 34 -19.850 -13.292 1.266 1.00 0.00 C ATOM 470 O GLY A 34 -18.912 -12.698 1.796 1.00 0.00 O ATOM 0 H GLY A 34 -20.395 -12.796 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.808 -14.120 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.776 -12.370 1.465 1.00 0.00 H new ATOM 474 N SER A 35 -19.706 -13.995 0.147 1.00 0.00 N ATOM 475 CA SER A 35 -18.442 -14.167 -0.582 1.00 0.00 C ATOM 476 C SER A 35 -18.218 -13.094 -1.666 1.00 0.00 C ATOM 477 O SER A 35 -19.163 -12.556 -2.257 1.00 0.00 O ATOM 478 CB SER A 35 -18.390 -15.580 -1.185 1.00 0.00 C ATOM 479 OG SER A 35 -19.552 -15.871 -1.955 1.00 0.00 O ATOM 0 H SER A 35 -20.487 -14.478 -0.296 1.00 0.00 H new ATOM 0 HA SER A 35 -17.629 -14.040 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.505 -15.674 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.292 -16.313 -0.384 1.00 0.00 H new ATOM 0 HG SER A 35 -19.482 -16.776 -2.323 1.00 0.00 H new ATOM 485 N GLY A 36 -16.943 -12.781 -1.925 1.00 0.00 N ATOM 486 CA GLY A 36 -16.481 -11.803 -2.914 1.00 0.00 C ATOM 487 C GLY A 36 -15.074 -12.093 -3.427 1.00 0.00 C ATOM 488 O GLY A 36 -14.339 -12.892 -2.836 1.00 0.00 O ATOM 0 H GLY A 36 -16.171 -13.224 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.173 -11.791 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.502 -10.808 -2.470 1.00 0.00 H new ATOM 492 N VAL A 37 -14.676 -11.403 -4.497 1.00 0.00 N ATOM 493 CA VAL A 37 -13.291 -11.431 -5.004 1.00 0.00 C ATOM 494 C VAL A 37 -12.705 -10.028 -4.891 1.00 0.00 C ATOM 495 O VAL A 37 -13.241 -9.084 -5.466 1.00 0.00 O ATOM 496 CB VAL A 37 -13.204 -11.961 -6.456 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.738 -12.051 -6.913 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.861 -13.345 -6.596 1.00 0.00 C ATOM 0 H VAL A 37 -15.300 -10.807 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.710 -12.126 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.743 -11.254 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.698 -12.426 -7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.282 -11.062 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.193 -12.730 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.780 -13.683 -7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.357 -14.055 -5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.913 -13.278 -6.318 1.00 0.00 H new ATOM 508 N MET A 38 -11.612 -9.894 -4.140 1.00 0.00 N ATOM 509 CA MET A 38 -10.880 -8.646 -3.944 1.00 0.00 C ATOM 510 C MET A 38 -9.729 -8.532 -4.949 1.00 0.00 C ATOM 511 O MET A 38 -9.046 -9.508 -5.267 1.00 0.00 O ATOM 512 CB MET A 38 -10.399 -8.549 -2.487 1.00 0.00 C ATOM 513 CG MET A 38 -9.903 -7.141 -2.132 1.00 0.00 C ATOM 514 SD MET A 38 -9.420 -6.920 -0.400 1.00 0.00 S ATOM 515 CE MET A 38 -11.052 -6.847 0.388 1.00 0.00 C ATOM 0 H MET A 38 -11.199 -10.678 -3.635 1.00 0.00 H new ATOM 0 HA MET A 38 -11.543 -7.801 -4.130 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.214 -8.824 -1.818 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.596 -9.267 -2.323 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.049 -6.901 -2.766 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.688 -6.424 -2.370 1.00 0.00 H new ATOM 0 HE1 MET A 38 -10.933 -6.659 1.455 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.636 -6.043 -0.059 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.569 -7.795 0.242 1.00 0.00 H new ATOM 525 N GLU A 39 -9.527 -7.317 -5.447 1.00 0.00 N ATOM 526 CA GLU A 39 -8.553 -6.973 -6.471 1.00 0.00 C ATOM 527 C GLU A 39 -7.910 -5.630 -6.114 1.00 0.00 C ATOM 528 O GLU A 39 -8.600 -4.652 -5.798 1.00 0.00 O ATOM 529 CB GLU A 39 -9.266 -6.946 -7.830 1.00 0.00 C ATOM 530 CG GLU A 39 -8.303 -6.710 -8.998 1.00 0.00 C ATOM 531 CD GLU A 39 -8.971 -6.978 -10.355 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.197 -6.759 -10.502 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.256 -7.433 -11.277 1.00 0.00 O ATOM 0 H GLU A 39 -10.064 -6.509 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.753 -7.711 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.789 -7.891 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.022 -6.161 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.941 -5.682 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.433 -7.357 -8.888 1.00 0.00 H new ATOM 540 N LEU A 40 -6.575 -5.621 -6.152 1.00 0.00 N ATOM 541 CA LEU A 40 -5.713 -4.472 -5.888 1.00 0.00 C ATOM 542 C LEU A 40 -5.111 -4.013 -7.224 1.00 0.00 C ATOM 543 O LEU A 40 -4.685 -4.842 -8.036 1.00 0.00 O ATOM 544 CB LEU A 40 -4.584 -4.859 -4.905 1.00 0.00 C ATOM 545 CG LEU A 40 -4.942 -4.947 -3.407 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.896 -6.103 -3.086 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.653 -5.159 -2.595 1.00 0.00 C ATOM 0 H LEU A 40 -6.041 -6.460 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.293 -3.667 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.187 -5.826 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.778 -4.133 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.442 -4.014 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.110 -6.112 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.825 -5.973 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.432 -7.047 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.897 -5.222 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.171 -6.084 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.976 -4.321 -2.762 1.00 0.00 H new ATOM 559 N THR A 41 -5.063 -2.696 -7.439 1.00 0.00 N ATOM 560 CA THR A 41 -4.577 -2.063 -8.680 1.00 0.00 C ATOM 561 C THR A 41 -3.703 -0.856 -8.361 1.00 0.00 C ATOM 562 O THR A 41 -3.612 -0.433 -7.213 1.00 0.00 O ATOM 563 CB THR A 41 -5.749 -1.650 -9.586 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.419 -0.564 -8.993 1.00 0.00 O ATOM 565 CG2 THR A 41 -6.756 -2.773 -9.861 1.00 0.00 C ATOM 0 H THR A 41 -5.368 -2.018 -6.740 1.00 0.00 H new ATOM 0 HA THR A 41 -3.975 -2.797 -9.216 1.00 0.00 H new ATOM 0 HB THR A 41 -5.318 -1.384 -10.551 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.915 -0.875 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.550 -2.399 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.249 -3.604 -10.352 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.185 -3.116 -8.919 1.00 0.00 H new ATOM 573 N GLN A 42 -3.102 -0.243 -9.374 1.00 0.00 N ATOM 574 CA GLN A 42 -2.376 1.023 -9.230 1.00 0.00 C ATOM 575 C GLN A 42 -3.323 2.235 -9.043 1.00 0.00 C ATOM 576 O GLN A 42 -2.850 3.367 -8.947 1.00 0.00 O ATOM 577 CB GLN A 42 -1.419 1.210 -10.427 1.00 0.00 C ATOM 578 CG GLN A 42 -0.305 0.146 -10.520 1.00 0.00 C ATOM 579 CD GLN A 42 -0.747 -1.234 -11.028 1.00 0.00 C ATOM 580 OE1 GLN A 42 -1.793 -1.418 -11.642 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.024 -2.272 -10.777 1.00 0.00 N ATOM 0 H GLN A 42 -3.102 -0.609 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.785 0.974 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.001 1.192 -11.349 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.959 2.196 -10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.478 0.522 -11.178 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.140 0.024 -9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.899 -2.146 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.254 -3.202 -11.091 1.00 0.00 H new ATOM 590 N SER A 43 -4.645 2.022 -8.965 1.00 0.00 N ATOM 591 CA SER A 43 -5.658 3.087 -8.864 1.00 0.00 C ATOM 592 C SER A 43 -6.529 2.995 -7.593 1.00 0.00 C ATOM 593 O SER A 43 -6.759 4.017 -6.939 1.00 0.00 O ATOM 594 CB SER A 43 -6.571 3.060 -10.101 1.00 0.00 C ATOM 595 OG SER A 43 -5.847 3.302 -11.302 1.00 0.00 O ATOM 0 H SER A 43 -5.050 1.086 -8.970 1.00 0.00 H new ATOM 0 HA SER A 43 -5.106 4.025 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.066 2.091 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.353 3.811 -9.991 1.00 0.00 H new ATOM 0 HG SER A 43 -6.461 3.275 -12.065 1.00 0.00 H new ATOM 601 N GLU A 44 -7.020 1.799 -7.231 1.00 0.00 N ATOM 602 CA GLU A 44 -7.960 1.568 -6.121 1.00 0.00 C ATOM 603 C GLU A 44 -8.144 0.079 -5.764 1.00 0.00 C ATOM 604 O GLU A 44 -7.769 -0.826 -6.518 1.00 0.00 O ATOM 605 CB GLU A 44 -9.327 2.278 -6.333 1.00 0.00 C ATOM 606 CG GLU A 44 -9.878 2.517 -7.748 1.00 0.00 C ATOM 607 CD GLU A 44 -10.507 1.319 -8.456 1.00 0.00 C ATOM 608 OE1 GLU A 44 -9.764 0.554 -9.109 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.754 1.233 -8.454 1.00 0.00 O ATOM 0 H GLU A 44 -6.766 0.939 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.486 2.031 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.076 1.700 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.262 3.251 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.625 3.309 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.065 2.890 -8.370 1.00 0.00 H new ATOM 616 N LEU A 45 -8.752 -0.158 -4.594 1.00 0.00 N ATOM 617 CA LEU A 45 -9.239 -1.467 -4.154 1.00 0.00 C ATOM 618 C LEU A 45 -10.622 -1.721 -4.755 1.00 0.00 C ATOM 619 O LEU A 45 -11.474 -0.829 -4.720 1.00 0.00 O ATOM 620 CB LEU A 45 -9.363 -1.488 -2.612 1.00 0.00 C ATOM 621 CG LEU A 45 -8.219 -2.215 -1.894 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.406 -2.075 -0.379 1.00 0.00 C ATOM 623 CD2 LEU A 45 -8.178 -3.707 -2.233 1.00 0.00 C ATOM 0 H LEU A 45 -8.922 0.579 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.538 -2.235 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.409 -0.461 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.306 -1.964 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.285 -1.760 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.596 -2.590 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.396 -1.019 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.359 -2.516 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.352 -4.178 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.116 -4.174 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.037 -3.832 -3.307 1.00 0.00 H new ATOM 635 N VAL A 46 -10.860 -2.941 -5.246 1.00 0.00 N ATOM 636 CA VAL A 46 -12.132 -3.329 -5.880 1.00 0.00 C ATOM 637 C VAL A 46 -12.610 -4.690 -5.363 1.00 0.00 C ATOM 638 O VAL A 46 -11.837 -5.644 -5.320 1.00 0.00 O ATOM 639 CB VAL A 46 -11.991 -3.331 -7.424 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.288 -3.787 -8.123 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.607 -1.933 -7.954 1.00 0.00 C ATOM 0 H VAL A 46 -10.174 -3.695 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.889 -2.592 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.197 -4.041 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.143 -3.773 -9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.537 -4.799 -7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.101 -3.112 -7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.516 -1.968 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.379 -1.214 -7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.655 -1.628 -7.520 1.00 0.00 H new ATOM 651 N LEU A 47 -13.892 -4.775 -4.992 1.00 0.00 N ATOM 652 CA LEU A 47 -14.619 -6.005 -4.673 1.00 0.00 C ATOM 653 C LEU A 47 -15.647 -6.321 -5.753 1.00 0.00 C ATOM 654 O LEU A 47 -16.512 -5.502 -6.074 1.00 0.00 O ATOM 655 CB LEU A 47 -15.392 -5.886 -3.349 1.00 0.00 C ATOM 656 CG LEU A 47 -14.576 -6.047 -2.066 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.511 -5.804 -0.874 1.00 0.00 C ATOM 658 CD2 LEU A 47 -13.962 -7.437 -1.894 1.00 0.00 C ATOM 0 H LEU A 47 -14.479 -3.945 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.867 -6.790 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.878 -4.911 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.183 -6.636 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.755 -5.332 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.952 -5.913 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.922 -4.796 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.324 -6.530 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.399 -7.473 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.755 -8.184 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.294 -7.646 -2.730 1.00 0.00 H new ATOM 670 N HIS A 48 -15.596 -7.568 -6.201 1.00 0.00 N ATOM 671 CA HIS A 48 -16.570 -8.219 -7.074 1.00 0.00 C ATOM 672 C HIS A 48 -17.519 -9.113 -6.245 1.00 0.00 C ATOM 673 O HIS A 48 -17.042 -9.969 -5.491 1.00 0.00 O ATOM 674 CB HIS A 48 -15.792 -9.008 -8.141 1.00 0.00 C ATOM 675 CG HIS A 48 -14.809 -8.178 -8.936 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.148 -7.283 -9.954 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.452 -8.185 -8.790 1.00 0.00 C ATOM 678 CE1 HIS A 48 -13.982 -6.780 -10.395 1.00 0.00 C ATOM 679 NE2 HIS A 48 -12.943 -7.304 -9.719 1.00 0.00 N ATOM 0 H HIS A 48 -14.828 -8.192 -5.951 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.203 -7.486 -7.574 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.253 -9.821 -7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.504 -9.465 -8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.885 -8.770 -8.081 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -13.891 -6.052 -11.187 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.957 -7.088 -9.867 1.00 0.00 H new ATOM 687 N LEU A 49 -18.837 -8.899 -6.373 1.00 0.00 N ATOM 688 CA LEU A 49 -19.919 -9.530 -5.589 1.00 0.00 C ATOM 689 C LEU A 49 -21.035 -10.066 -6.513 1.00 0.00 C ATOM 690 O LEU A 49 -21.124 -9.670 -7.676 1.00 0.00 O ATOM 691 CB LEU A 49 -20.503 -8.499 -4.590 1.00 0.00 C ATOM 692 CG LEU A 49 -19.529 -7.908 -3.548 1.00 0.00 C ATOM 693 CD1 LEU A 49 -20.261 -6.872 -2.680 1.00 0.00 C ATOM 694 CD2 LEU A 49 -18.937 -8.981 -2.625 1.00 0.00 C ATOM 0 H LEU A 49 -19.201 -8.244 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.503 -10.375 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.928 -7.675 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.326 -8.973 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.713 -7.446 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -19.569 -6.458 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -20.641 -6.070 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -21.093 -7.352 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -18.259 -8.513 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.742 -9.482 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -18.389 -9.711 -3.221 1.00 0.00 H new ATOM 786 N ALA A 54 -20.604 -3.969 -7.480 1.00 0.00 N ATOM 787 CA ALA A 54 -19.162 -3.945 -7.220 1.00 0.00 C ATOM 788 C ALA A 54 -18.801 -2.773 -6.287 1.00 0.00 C ATOM 789 O ALA A 54 -19.319 -1.665 -6.461 1.00 0.00 O ATOM 790 CB ALA A 54 -18.418 -3.857 -8.559 1.00 0.00 C ATOM 0 HA ALA A 54 -18.859 -4.861 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.343 -3.838 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.668 -4.723 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.714 -2.947 -9.080 1.00 0.00 H new ATOM 796 N VAL A 55 -17.909 -2.997 -5.319 1.00 0.00 N ATOM 797 CA VAL A 55 -17.570 -1.998 -4.278 1.00 0.00 C ATOM 798 C VAL A 55 -16.138 -1.508 -4.456 1.00 0.00 C ATOM 799 O VAL A 55 -15.241 -2.310 -4.692 1.00 0.00 O ATOM 800 CB VAL A 55 -17.781 -2.494 -2.828 1.00 0.00 C ATOM 801 CG1 VAL A 55 -17.802 -1.297 -1.865 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.103 -3.249 -2.640 1.00 0.00 C ATOM 0 H VAL A 55 -17.396 -3.874 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.271 -1.176 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 55 -16.955 -3.173 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.951 -1.653 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.854 -0.763 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.616 -0.625 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.193 -3.572 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -19.936 -2.592 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.120 -4.121 -3.294 1.00 0.00 H new ATOM 812 N ARG A 56 -15.943 -0.190 -4.370 1.00 0.00 N ATOM 813 CA ARG A 56 -14.689 0.492 -4.718 1.00 0.00 C ATOM 814 C ARG A 56 -14.282 1.524 -3.658 1.00 0.00 C ATOM 815 O ARG A 56 -15.137 2.217 -3.097 1.00 0.00 O ATOM 816 CB ARG A 56 -14.809 1.171 -6.098 1.00 0.00 C ATOM 817 CG ARG A 56 -15.143 0.213 -7.261 1.00 0.00 C ATOM 818 CD ARG A 56 -16.643 0.072 -7.566 1.00 0.00 C ATOM 819 NE ARG A 56 -17.199 1.296 -8.170 1.00 0.00 N ATOM 820 CZ ARG A 56 -18.483 1.551 -8.396 1.00 0.00 C ATOM 821 NH1 ARG A 56 -19.438 0.705 -8.071 1.00 0.00 N ATOM 822 NH2 ARG A 56 -18.831 2.682 -8.972 1.00 0.00 N ATOM 0 H ARG A 56 -16.669 0.450 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.909 -0.268 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.581 1.938 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.870 1.678 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.635 0.563 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.739 -0.773 -7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.798 -0.769 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.181 -0.155 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.532 2.019 -8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.203 -0.184 -7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.413 0.938 -8.261 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.116 3.358 -9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.815 2.883 -9.148 1.00 0.00 H new ATOM 836 N TRP A 57 -12.972 1.663 -3.421 1.00 0.00 N ATOM 837 CA TRP A 57 -12.390 2.563 -2.412 1.00 0.00 C ATOM 838 C TRP A 57 -11.057 3.175 -2.898 1.00 0.00 C ATOM 839 O TRP A 57 -10.128 2.413 -3.197 1.00 0.00 O ATOM 840 CB TRP A 57 -12.156 1.792 -1.102 1.00 0.00 C ATOM 841 CG TRP A 57 -13.383 1.308 -0.394 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.207 2.046 0.385 1.00 0.00 C ATOM 843 CD2 TRP A 57 -13.928 -0.045 -0.376 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.221 1.243 0.883 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.063 -0.066 0.490 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.552 -1.254 -0.991 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.752 -1.256 0.781 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.254 -2.443 -0.727 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.333 -2.444 0.172 1.00 0.00 C ATOM 0 H TRP A 57 -12.266 1.139 -3.939 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.094 3.378 -2.244 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.523 0.931 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.598 2.434 -0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.092 3.101 0.588 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.987 1.580 1.467 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.715 -1.268 -1.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.590 -1.253 1.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -13.962 -3.360 -1.218 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.843 -3.369 0.395 1.00 0.00 H new ATOM 860 N PRO A 58 -10.934 4.519 -2.965 1.00 0.00 N ATOM 861 CA PRO A 58 -9.685 5.187 -3.314 1.00 0.00 C ATOM 862 C PRO A 58 -8.676 5.054 -2.174 1.00 0.00 C ATOM 863 O PRO A 58 -9.030 5.189 -1.004 1.00 0.00 O ATOM 864 CB PRO A 58 -10.050 6.655 -3.563 1.00 0.00 C ATOM 865 CG PRO A 58 -11.295 6.876 -2.709 1.00 0.00 C ATOM 866 CD PRO A 58 -11.982 5.510 -2.735 1.00 0.00 C ATOM 0 HA PRO A 58 -9.220 4.745 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.240 7.323 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.251 6.843 -4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.039 7.179 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.934 7.656 -3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.497 5.318 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.733 5.469 -3.524 1.00 0.00 H new ATOM 874 N TYR A 59 -7.397 4.856 -2.507 1.00 0.00 N ATOM 875 CA TYR A 59 -6.321 4.790 -1.508 1.00 0.00 C ATOM 876 C TYR A 59 -6.204 6.067 -0.653 1.00 0.00 C ATOM 877 O TYR A 59 -5.825 5.998 0.516 1.00 0.00 O ATOM 878 CB TYR A 59 -5.004 4.462 -2.223 1.00 0.00 C ATOM 879 CG TYR A 59 -4.967 3.109 -2.914 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.382 1.944 -2.236 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.490 3.011 -4.235 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.333 0.694 -2.877 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.424 1.760 -4.876 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.843 0.595 -4.196 1.00 0.00 C ATOM 885 OH TYR A 59 -4.769 -0.620 -4.801 1.00 0.00 O ATOM 0 H TYR A 59 -7.078 4.738 -3.468 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.564 3.999 -0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.808 5.237 -2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.193 4.504 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.739 2.013 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.173 3.901 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.671 -0.191 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.053 1.691 -5.888 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.144 -0.573 -5.554 1.00 0.00 H new ATOM 895 N LEU A 60 -6.642 7.208 -1.200 1.00 0.00 N ATOM 896 CA LEU A 60 -6.740 8.508 -0.537 1.00 0.00 C ATOM 897 C LEU A 60 -7.560 8.455 0.764 1.00 0.00 C ATOM 898 O LEU A 60 -7.163 9.041 1.772 1.00 0.00 O ATOM 899 CB LEU A 60 -7.337 9.502 -1.558 1.00 0.00 C ATOM 900 CG LEU A 60 -6.595 10.846 -1.566 1.00 0.00 C ATOM 901 CD1 LEU A 60 -7.109 11.714 -2.714 1.00 0.00 C ATOM 902 CD2 LEU A 60 -6.728 11.597 -0.238 1.00 0.00 C ATOM 0 H LEU A 60 -6.954 7.248 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.748 8.834 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.298 9.062 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.388 9.671 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.536 10.632 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.579 12.667 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.938 11.203 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.177 11.893 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.185 12.540 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.781 11.796 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.313 10.990 0.567 1.00 0.00 H new ATOM 914 N CYS A 61 -8.681 7.724 0.751 1.00 0.00 N ATOM 915 CA CYS A 61 -9.559 7.561 1.923 1.00 0.00 C ATOM 916 C CYS A 61 -9.177 6.387 2.852 1.00 0.00 C ATOM 917 O CYS A 61 -9.702 6.294 3.965 1.00 0.00 O ATOM 918 CB CYS A 61 -11.027 7.504 1.464 1.00 0.00 C ATOM 919 SG CYS A 61 -11.512 5.833 0.926 1.00 0.00 S ATOM 0 H CYS A 61 -9.009 7.225 -0.076 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.417 8.439 2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.674 7.824 2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.178 8.206 0.644 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.618 5.364 0.107 1.00 0.00 H new ATOM 925 N LEU A 62 -8.260 5.511 2.423 1.00 0.00 N ATOM 926 CA LEU A 62 -7.815 4.318 3.152 1.00 0.00 C ATOM 927 C LEU A 62 -6.618 4.647 4.056 1.00 0.00 C ATOM 928 O LEU A 62 -5.489 4.205 3.835 1.00 0.00 O ATOM 929 CB LEU A 62 -7.529 3.181 2.149 1.00 0.00 C ATOM 930 CG LEU A 62 -8.779 2.610 1.448 1.00 0.00 C ATOM 931 CD1 LEU A 62 -8.343 1.678 0.308 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.673 1.842 2.432 1.00 0.00 C ATOM 0 H LEU A 62 -7.790 5.618 1.524 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.605 3.971 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.840 3.550 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.022 2.371 2.673 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.358 3.443 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.225 1.273 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.746 2.238 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.748 0.860 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.544 1.453 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.111 1.014 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.999 2.513 3.227 1.00 0.00 H new ATOM 944 N ARG A 63 -6.876 5.431 5.107 1.00 0.00 N ATOM 945 CA ARG A 63 -5.859 5.851 6.087 1.00 0.00 C ATOM 946 C ARG A 63 -5.327 4.690 6.947 1.00 0.00 C ATOM 947 O ARG A 63 -4.203 4.767 7.441 1.00 0.00 O ATOM 948 CB ARG A 63 -6.450 6.979 6.948 1.00 0.00 C ATOM 949 CG ARG A 63 -5.442 7.582 7.945 1.00 0.00 C ATOM 950 CD ARG A 63 -5.941 8.897 8.557 1.00 0.00 C ATOM 951 NE ARG A 63 -5.831 10.002 7.591 1.00 0.00 N ATOM 952 CZ ARG A 63 -6.329 11.225 7.701 1.00 0.00 C ATOM 953 NH1 ARG A 63 -7.065 11.599 8.726 1.00 0.00 N ATOM 954 NH2 ARG A 63 -6.069 12.092 6.750 1.00 0.00 N ATOM 0 H ARG A 63 -7.806 5.798 5.307 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.987 6.216 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.820 7.769 6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.308 6.594 7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.249 6.864 8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.493 7.757 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.979 8.786 8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.361 9.130 9.450 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.310 9.803 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.271 10.937 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.429 12.551 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.496 11.817 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.440 13.040 6.809 1.00 0.00 H new ATOM 968 N ARG A 64 -6.103 3.612 7.098 1.00 0.00 N ATOM 969 CA ARG A 64 -5.824 2.477 7.990 1.00 0.00 C ATOM 970 C ARG A 64 -6.238 1.158 7.319 1.00 0.00 C ATOM 971 O ARG A 64 -7.413 0.960 7.000 1.00 0.00 O ATOM 972 CB ARG A 64 -6.580 2.734 9.307 1.00 0.00 C ATOM 973 CG ARG A 64 -6.370 1.680 10.400 1.00 0.00 C ATOM 974 CD ARG A 64 -7.366 1.814 11.559 1.00 0.00 C ATOM 975 NE ARG A 64 -7.322 3.140 12.205 1.00 0.00 N ATOM 976 CZ ARG A 64 -8.193 3.610 13.093 1.00 0.00 C ATOM 977 NH1 ARG A 64 -9.217 2.895 13.513 1.00 0.00 N ATOM 978 NH2 ARG A 64 -8.040 4.821 13.582 1.00 0.00 N ATOM 0 H ARG A 64 -6.977 3.500 6.584 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.758 2.387 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.275 3.705 9.698 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.646 2.799 9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.462 0.686 9.962 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.355 1.764 10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.374 1.630 11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.155 1.046 12.303 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.550 3.754 11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.360 1.950 13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.867 3.286 14.195 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.255 5.397 13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.707 5.184 14.263 1.00 0.00 H new ATOM 992 N TYR A 65 -5.269 0.260 7.127 1.00 0.00 N ATOM 993 CA TYR A 65 -5.417 -1.048 6.470 1.00 0.00 C ATOM 994 C TYR A 65 -4.556 -2.112 7.180 1.00 0.00 C ATOM 995 O TYR A 65 -3.324 -2.074 7.151 1.00 0.00 O ATOM 996 CB TYR A 65 -5.088 -0.931 4.970 1.00 0.00 C ATOM 997 CG TYR A 65 -3.709 -0.378 4.624 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.515 1.015 4.542 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.618 -1.245 4.398 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.237 1.537 4.268 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.334 -0.727 4.138 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.140 0.670 4.071 1.00 0.00 C ATOM 1003 OH TYR A 65 0.096 1.183 3.817 1.00 0.00 O ATOM 0 H TYR A 65 -4.313 0.430 7.439 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.454 -1.375 6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.184 -1.919 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.839 -0.294 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.350 1.684 4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.769 -2.314 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.095 2.606 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.500 -1.397 3.990 1.00 0.00 H new ATOM 0 HH TYR A 65 0.374 1.752 4.565 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.214 -3.039 7.878 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.587 -3.997 8.792 1.00 0.00 C ATOM 1015 C GLY A 66 -4.808 -5.449 8.398 1.00 0.00 C ATOM 1016 O GLY A 66 -5.630 -5.774 7.540 1.00 0.00 O ATOM 0 H GLY A 66 -6.227 -3.148 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.516 -3.799 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.979 -3.838 9.797 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.085 -6.325 9.089 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.211 -7.776 8.957 1.00 0.00 C ATOM 1022 C TYR A 67 -4.075 -8.486 10.320 1.00 0.00 C ATOM 1023 O TYR A 67 -3.493 -7.958 11.272 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.195 -8.302 7.926 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.844 -8.662 8.521 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.956 -7.652 8.938 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.510 -10.016 8.729 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.262 -7.989 9.556 1.00 0.00 C ATOM 1029 CE2 TYR A 67 -0.292 -10.360 9.342 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.601 -9.346 9.759 1.00 0.00 C ATOM 1031 OH TYR A 67 1.775 -9.682 10.361 1.00 0.00 O ATOM 0 H TYR A 67 -3.381 -6.042 9.770 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.212 -8.005 8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.612 -9.182 7.437 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.051 -7.546 7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.211 -6.614 8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.193 -10.792 8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.939 -7.210 9.876 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.039 -11.399 9.494 1.00 0.00 H new ATOM 0 HH TYR A 67 1.845 -10.658 10.420 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.596 -9.706 10.391 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.497 -10.621 11.527 1.00 0.00 C ATOM 1043 C ASP A 68 -4.554 -12.080 11.034 1.00 0.00 C ATOM 1044 O ASP A 68 -4.555 -12.332 9.826 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.601 -10.302 12.556 1.00 0.00 C ATOM 1046 CG ASP A 68 -5.037 -10.333 13.981 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.664 -11.436 14.441 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.956 -9.254 14.614 1.00 0.00 O ATOM 0 H ASP A 68 -5.127 -10.106 9.618 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.539 -10.488 12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.026 -9.320 12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.411 -11.025 12.464 1.00 0.00 H new ATOM 1053 N SER A 69 -4.602 -13.054 11.946 1.00 0.00 N ATOM 1054 CA SER A 69 -4.698 -14.478 11.589 1.00 0.00 C ATOM 1055 C SER A 69 -5.950 -14.771 10.735 1.00 0.00 C ATOM 1056 O SER A 69 -7.092 -14.671 11.194 1.00 0.00 O ATOM 1057 CB SER A 69 -4.613 -15.372 12.838 1.00 0.00 C ATOM 1058 OG SER A 69 -5.438 -14.932 13.914 1.00 0.00 O ATOM 0 H SER A 69 -4.576 -12.882 12.951 1.00 0.00 H new ATOM 0 HA SER A 69 -3.839 -14.723 10.965 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.897 -16.389 12.566 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.578 -15.410 13.177 1.00 0.00 H new ATOM 0 HG SER A 69 -5.339 -15.543 14.674 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.721 -15.079 9.450 1.00 0.00 N ATOM 1065 CA ASN A 70 -6.721 -15.264 8.385 1.00 0.00 C ATOM 1066 C ASN A 70 -7.786 -14.141 8.254 1.00 0.00 C ATOM 1067 O ASN A 70 -8.906 -14.400 7.796 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.288 -16.699 8.400 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.124 -17.060 9.629 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -7.700 -17.825 10.489 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.339 -16.552 9.733 1.00 0.00 N ATOM 0 H ASN A 70 -4.771 -15.215 9.103 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.180 -15.146 7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.902 -16.839 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.457 -17.401 8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.927 -16.796 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.689 -15.916 9.016 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.463 -12.899 8.643 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.383 -11.763 8.728 1.00 0.00 C ATOM 1080 C LEU A 71 -7.746 -10.506 8.117 1.00 0.00 C ATOM 1081 O LEU A 71 -6.623 -10.143 8.460 1.00 0.00 O ATOM 1082 CB LEU A 71 -8.732 -11.574 10.225 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.005 -10.783 10.590 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -9.843 -9.266 10.445 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.215 -11.274 9.791 1.00 0.00 C ATOM 0 H LEU A 71 -6.512 -12.652 8.918 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.294 -11.946 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.817 -12.564 10.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.886 -11.080 10.703 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.179 -10.977 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.776 -8.773 10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.045 -8.921 11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.593 -9.024 9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.095 -10.696 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.023 -11.148 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.389 -12.328 10.006 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.476 -9.835 7.226 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.104 -8.565 6.600 1.00 0.00 C ATOM 1099 C PHE A 72 -9.207 -7.522 6.840 1.00 0.00 C ATOM 1100 O PHE A 72 -10.391 -7.829 6.734 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.876 -8.802 5.098 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.610 -7.522 4.335 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.429 -6.795 4.578 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.582 -7.011 3.455 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.247 -5.532 3.989 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.387 -5.760 2.848 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.234 -5.011 3.136 1.00 0.00 C ATOM 0 H PHE A 72 -9.383 -10.176 6.907 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.183 -8.181 7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.033 -9.480 4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.751 -9.296 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.663 -7.208 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.476 -7.580 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.351 -4.964 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.124 -5.373 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.106 -4.031 2.700 1.00 0.00 H new ATOM 1117 N SER A 73 -8.842 -6.284 7.161 1.00 0.00 N ATOM 1118 CA SER A 73 -9.780 -5.202 7.473 1.00 0.00 C ATOM 1119 C SER A 73 -9.208 -3.806 7.176 1.00 0.00 C ATOM 1120 O SER A 73 -7.991 -3.596 7.163 1.00 0.00 O ATOM 1121 CB SER A 73 -10.190 -5.303 8.945 1.00 0.00 C ATOM 1122 OG SER A 73 -11.269 -4.431 9.223 1.00 0.00 O ATOM 0 H SER A 73 -7.865 -5.995 7.214 1.00 0.00 H new ATOM 0 HA SER A 73 -10.648 -5.323 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.475 -6.329 9.179 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.341 -5.055 9.582 1.00 0.00 H new ATOM 0 HG SER A 73 -11.859 -4.381 8.442 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.100 -2.834 6.966 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.770 -1.449 6.633 1.00 0.00 C ATOM 1130 C PHE A 74 -10.860 -0.468 7.095 1.00 0.00 C ATOM 1131 O PHE A 74 -12.024 -0.836 7.279 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.481 -1.331 5.125 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.602 -1.802 4.212 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.659 -0.933 3.877 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.588 -3.114 3.696 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.698 -1.381 3.041 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.616 -3.556 2.842 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.675 -2.690 2.530 1.00 0.00 C ATOM 0 H PHE A 74 -11.105 -2.997 7.026 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.868 -1.168 7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.260 -0.289 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.583 -1.905 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.672 0.076 4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.783 -3.785 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.514 -0.719 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.590 -4.554 2.430 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.478 -3.032 1.893 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.458 0.790 7.280 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.289 1.911 7.727 1.00 0.00 C ATOM 1150 C GLU A 75 -11.255 3.032 6.677 1.00 0.00 C ATOM 1151 O GLU A 75 -10.197 3.349 6.127 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.750 2.394 9.083 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.598 3.463 9.790 1.00 0.00 C ATOM 1154 CD GLU A 75 -11.145 4.902 9.478 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -9.971 5.244 9.756 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.976 5.715 9.012 1.00 0.00 O ATOM 0 H GLU A 75 -9.492 1.070 7.113 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.328 1.603 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.657 1.533 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.746 2.792 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.640 3.345 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.552 3.300 10.867 1.00 0.00 H new ATOM 1163 N SER A 76 -12.408 3.637 6.399 1.00 0.00 N ATOM 1164 CA SER A 76 -12.575 4.658 5.353 1.00 0.00 C ATOM 1165 C SER A 76 -13.601 5.743 5.733 1.00 0.00 C ATOM 1166 O SER A 76 -14.547 5.506 6.495 1.00 0.00 O ATOM 1167 CB SER A 76 -12.946 3.995 4.012 1.00 0.00 C ATOM 1168 OG SER A 76 -14.070 3.131 4.126 1.00 0.00 O ATOM 0 H SER A 76 -13.272 3.431 6.901 1.00 0.00 H new ATOM 0 HA SER A 76 -11.616 5.166 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.159 4.769 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.092 3.428 3.642 1.00 0.00 H new ATOM 0 HG SER A 76 -14.790 3.452 3.543 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.398 6.962 5.207 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.200 8.156 5.517 1.00 0.00 C ATOM 1176 C GLY A 77 -15.523 8.236 4.748 1.00 0.00 C ATOM 1177 O GLY A 77 -15.735 7.532 3.759 1.00 0.00 O ATOM 0 H GLY A 77 -12.652 7.149 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.412 8.171 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.609 9.045 5.296 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.415 9.142 5.176 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.802 9.241 4.677 1.00 0.00 C ATOM 1183 C ARG A 78 -17.950 9.596 3.185 1.00 0.00 C ATOM 1184 O ARG A 78 -19.043 9.457 2.633 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.637 10.156 5.599 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.428 11.675 5.438 1.00 0.00 C ATOM 1187 CD ARG A 78 -19.413 12.310 4.444 1.00 0.00 C ATOM 1188 NE ARG A 78 -19.312 13.781 4.443 1.00 0.00 N ATOM 1189 CZ ARG A 78 -20.097 14.615 3.769 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -21.067 14.185 2.986 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -19.916 15.913 3.876 1.00 0.00 N ATOM 0 H ARG A 78 -16.194 9.838 5.888 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.206 8.230 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.692 9.938 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.417 9.890 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -18.538 12.157 6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.408 11.863 5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.214 11.931 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -20.430 12.015 4.701 1.00 0.00 H new ATOM 0 HE ARG A 78 -18.573 14.196 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.234 13.184 2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.651 14.853 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -19.175 16.277 4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -20.517 16.556 3.360 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.867 10.029 2.527 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.827 10.397 1.102 1.00 0.00 C ATOM 1207 C ARG A 79 -16.864 9.206 0.129 1.00 0.00 C ATOM 1208 O ARG A 79 -17.113 9.406 -1.061 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.576 11.260 0.852 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.251 10.463 0.823 1.00 0.00 C ATOM 1211 CD ARG A 79 -13.776 10.001 -0.568 1.00 0.00 C ATOM 1212 NE ARG A 79 -13.499 11.130 -1.478 1.00 0.00 N ATOM 1213 CZ ARG A 79 -14.227 11.542 -2.514 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -15.398 11.020 -2.821 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -13.775 12.518 -3.270 1.00 0.00 N ATOM 0 H ARG A 79 -15.963 10.137 2.986 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.741 10.954 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.693 11.783 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.512 12.021 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.469 11.079 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.364 9.584 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.874 9.398 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.536 9.359 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.647 11.658 -1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.784 10.265 -2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.918 11.371 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.876 12.951 -3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.324 12.842 -4.066 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.519 7.997 0.589 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.445 6.794 -0.260 1.00 0.00 C ATOM 1231 C CYS A 80 -17.835 6.204 -0.598 1.00 0.00 C ATOM 1232 O CYS A 80 -18.864 6.686 -0.118 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.485 5.779 0.391 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.248 5.005 1.845 1.00 0.00 S ATOM 0 H CYS A 80 -16.281 7.821 1.565 1.00 0.00 H new ATOM 0 HA CYS A 80 -16.039 7.073 -1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.214 5.012 -0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.563 6.281 0.683 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.194 5.826 2.852 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.863 5.151 -1.423 1.00 0.00 N ATOM 1241 CA GLN A 81 -19.087 4.489 -1.906 1.00 0.00 C ATOM 1242 C GLN A 81 -19.986 3.974 -0.767 1.00 0.00 C ATOM 1243 O GLN A 81 -21.211 4.098 -0.841 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.662 3.332 -2.832 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.839 2.471 -3.325 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.433 1.409 -4.351 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.332 1.392 -4.881 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.297 0.461 -4.652 1.00 0.00 N ATOM 0 H GLN A 81 -17.012 4.721 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.689 5.221 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.137 3.743 -3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.954 2.695 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.302 1.980 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.594 3.121 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.221 0.457 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.042 -0.269 -5.317 1.00 0.00 H new ATOM 1257 N THR A 82 -19.376 3.394 0.272 1.00 0.00 N ATOM 1258 CA THR A 82 -20.056 2.728 1.396 1.00 0.00 C ATOM 1259 C THR A 82 -20.342 3.647 2.575 1.00 0.00 C ATOM 1260 O THR A 82 -21.218 3.353 3.389 1.00 0.00 O ATOM 1261 CB THR A 82 -19.209 1.547 1.868 1.00 0.00 C ATOM 1262 OG1 THR A 82 -17.876 1.959 2.100 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.188 0.469 0.791 1.00 0.00 C ATOM 0 H THR A 82 -18.360 3.373 0.360 1.00 0.00 H new ATOM 0 HA THR A 82 -21.025 2.397 1.021 1.00 0.00 H new ATOM 0 HB THR A 82 -19.644 1.161 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.549 1.556 2.931 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.583 -0.372 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.205 0.129 0.596 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.760 0.878 -0.125 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.606 4.754 2.660 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.636 5.705 3.772 1.00 0.00 C ATOM 1273 C GLY A 83 -18.746 5.272 4.943 1.00 0.00 C ATOM 1274 O GLY A 83 -18.035 4.269 4.875 1.00 0.00 O ATOM 0 H GLY A 83 -18.948 5.024 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.312 6.683 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.662 5.816 4.122 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.785 6.061 6.018 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.940 5.880 7.203 1.00 0.00 C ATOM 1280 C GLN A 84 -18.213 4.553 7.928 1.00 0.00 C ATOM 1281 O GLN A 84 -19.361 4.213 8.227 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.063 7.092 8.148 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.494 7.399 8.637 1.00 0.00 C ATOM 1284 CD GLN A 84 -19.594 8.625 9.552 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -18.692 9.446 9.672 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -20.706 8.801 10.236 1.00 0.00 N ATOM 0 H GLN A 84 -19.416 6.859 6.092 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.907 5.823 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.428 6.921 9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.674 7.972 7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.137 7.552 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.879 6.529 9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.469 8.129 10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.804 9.609 10.851 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.142 3.814 8.225 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.182 2.520 8.901 1.00 0.00 C ATOM 1297 C GLY A 85 -15.899 1.711 8.720 1.00 0.00 C ATOM 1298 O GLY A 85 -14.952 2.129 8.050 1.00 0.00 O ATOM 0 H GLY A 85 -16.194 4.111 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.358 2.678 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.025 1.943 8.520 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.888 0.534 9.341 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.831 -0.483 9.237 1.00 0.00 C ATOM 1304 C ILE A 86 -15.436 -1.768 8.665 1.00 0.00 C ATOM 1305 O ILE A 86 -16.521 -2.178 9.087 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.194 -0.715 10.627 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.461 0.564 11.087 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.225 -1.912 10.624 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.192 0.584 12.592 1.00 0.00 C ATOM 0 H ILE A 86 -16.646 0.245 9.959 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.040 -0.148 8.566 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.997 -0.948 11.326 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.515 0.647 10.552 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.057 1.436 10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.800 -2.039 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.764 -2.816 10.342 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.423 -1.729 9.908 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.675 1.506 12.857 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.138 0.530 13.131 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.571 -0.270 12.862 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.724 -2.400 7.729 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.193 -3.555 6.963 1.00 0.00 C ATOM 1323 C PHE A 87 -14.137 -4.670 6.991 1.00 0.00 C ATOM 1324 O PHE A 87 -12.998 -4.460 6.567 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.508 -3.103 5.526 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.493 -1.951 5.429 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.874 -2.191 5.555 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.031 -0.633 5.233 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.791 -1.130 5.462 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.945 0.432 5.158 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.325 0.185 5.269 1.00 0.00 C ATOM 0 H PHE A 87 -13.778 -2.113 7.477 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.103 -3.959 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.578 -2.811 5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.906 -3.952 4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.231 -3.196 5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.972 -0.442 5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.851 -1.323 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.587 1.441 5.015 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.027 1.003 5.206 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.519 -5.852 7.490 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.610 -6.965 7.779 1.00 0.00 C ATOM 1343 C ALA A 88 -13.985 -8.250 7.027 1.00 0.00 C ATOM 1344 O ALA A 88 -15.165 -8.588 6.863 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.584 -7.191 9.294 1.00 0.00 C ATOM 0 H ALA A 88 -15.492 -6.065 7.709 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.614 -6.700 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.912 -8.017 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.234 -6.286 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.588 -7.431 9.643 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.956 -8.971 6.578 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.094 -10.107 5.673 1.00 0.00 C ATOM 1353 C PHE A 89 -12.132 -11.240 6.029 1.00 0.00 C ATOM 1354 O PHE A 89 -10.925 -11.045 6.176 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.864 -9.665 4.215 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.666 -8.471 3.712 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.277 -7.163 4.064 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.767 -8.663 2.853 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -14.015 -6.060 3.604 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.486 -7.552 2.374 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.120 -6.250 2.759 1.00 0.00 C ATOM 0 H PHE A 89 -11.989 -8.777 6.839 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.111 -10.484 5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.805 -9.435 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -13.081 -10.514 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.410 -7.008 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -15.059 -9.662 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.731 -5.061 3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.323 -7.700 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.686 -5.400 2.406 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.675 -12.452 6.118 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.899 -13.683 6.232 1.00 0.00 C ATOM 1373 C LYS A 90 -11.160 -13.986 4.918 1.00 0.00 C ATOM 1374 O LYS A 90 -11.753 -13.931 3.837 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.836 -14.832 6.646 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.853 -14.997 8.169 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.682 -16.231 8.569 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.421 -16.687 10.014 1.00 0.00 C ATOM 1379 NZ LYS A 90 -13.843 -15.685 11.024 1.00 0.00 N ATOM 0 H LYS A 90 -13.683 -12.608 6.113 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.135 -13.567 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.845 -14.632 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.509 -15.761 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.834 -15.100 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.272 -14.104 8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.742 -16.004 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.454 -17.051 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.951 -17.622 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.358 -16.894 10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.507 -15.977 11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.438 -14.758 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.881 -15.617 11.033 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.866 -14.296 5.033 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.931 -14.554 3.933 1.00 0.00 C ATOM 1395 C CYS A 91 -7.604 -15.103 4.478 1.00 0.00 C ATOM 1396 O CYS A 91 -6.911 -14.423 5.232 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.725 -13.240 3.161 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.585 -13.508 1.777 1.00 0.00 S ATOM 0 H CYS A 91 -9.417 -14.378 5.945 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.335 -15.308 3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.682 -12.873 2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.327 -12.475 3.828 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.264 -13.767 0.699 1.00 0.00 H new ATOM 1404 N SER A 92 -7.200 -16.307 4.072 1.00 0.00 N ATOM 1405 CA SER A 92 -5.907 -16.898 4.478 1.00 0.00 C ATOM 1406 C SER A 92 -4.687 -16.206 3.823 1.00 0.00 C ATOM 1407 O SER A 92 -3.542 -16.466 4.199 1.00 0.00 O ATOM 1408 CB SER A 92 -5.917 -18.407 4.182 1.00 0.00 C ATOM 1409 OG SER A 92 -4.897 -19.095 4.895 1.00 0.00 O ATOM 0 H SER A 92 -7.751 -16.904 3.455 1.00 0.00 H new ATOM 0 HA SER A 92 -5.795 -16.736 5.550 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.889 -18.822 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.784 -18.568 3.112 1.00 0.00 H new ATOM 0 HG SER A 92 -4.062 -18.584 4.847 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.933 -15.294 2.870 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.935 -14.507 2.128 1.00 0.00 C ATOM 1417 C ARG A 93 -3.801 -13.061 2.659 1.00 0.00 C ATOM 1418 O ARG A 93 -3.098 -12.246 2.061 1.00 0.00 O ATOM 1419 CB ARG A 93 -4.320 -14.572 0.629 1.00 0.00 C ATOM 1420 CG ARG A 93 -3.159 -14.555 -0.381 1.00 0.00 C ATOM 1421 CD ARG A 93 -2.187 -15.720 -0.186 1.00 0.00 C ATOM 1422 NE ARG A 93 -1.272 -15.868 -1.332 1.00 0.00 N ATOM 1423 CZ ARG A 93 -0.186 -16.632 -1.372 1.00 0.00 C ATOM 1424 NH1 ARG A 93 0.236 -17.310 -0.325 1.00 0.00 N ATOM 1425 NH2 ARG A 93 0.495 -16.731 -2.492 1.00 0.00 N ATOM 0 H ARG A 93 -5.886 -15.073 2.580 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.941 -14.931 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.901 -15.480 0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.976 -13.730 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.563 -14.590 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.616 -13.615 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.608 -15.561 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.750 -16.643 -0.049 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.493 -15.334 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.276 -17.259 0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.075 -17.886 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.188 -16.223 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.330 -17.315 -2.531 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.451 -12.732 3.786 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.565 -11.383 4.361 1.00 0.00 C ATOM 1441 C ALA A 94 -3.239 -10.616 4.527 1.00 0.00 C ATOM 1442 O ALA A 94 -3.191 -9.421 4.244 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.276 -11.513 5.714 1.00 0.00 C ATOM 0 H ALA A 94 -4.934 -13.433 4.348 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.130 -10.783 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.377 -10.527 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.265 -11.947 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.692 -12.157 6.371 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.159 -11.285 4.937 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.842 -10.657 5.099 1.00 0.00 C ATOM 1451 C GLU A 95 -0.213 -10.240 3.761 1.00 0.00 C ATOM 1452 O GLU A 95 0.448 -9.207 3.687 1.00 0.00 O ATOM 1453 CB GLU A 95 0.070 -11.625 5.859 1.00 0.00 C ATOM 1454 CG GLU A 95 1.444 -11.011 6.155 1.00 0.00 C ATOM 1455 CD GLU A 95 2.321 -11.850 7.103 1.00 0.00 C ATOM 1456 OE1 GLU A 95 1.931 -12.972 7.509 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.446 -11.397 7.422 1.00 0.00 O ATOM 0 H GLU A 95 -2.171 -12.279 5.167 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.968 -9.735 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.408 -11.912 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.199 -12.536 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.977 -10.871 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.301 -10.022 6.591 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.448 -10.999 2.689 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.003 -10.632 1.339 1.00 0.00 C ATOM 1466 C GLU A 96 -0.807 -9.441 0.795 1.00 0.00 C ATOM 1467 O GLU A 96 -0.240 -8.588 0.114 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.115 -11.818 0.368 1.00 0.00 C ATOM 1469 CG GLU A 96 0.713 -13.050 0.758 1.00 0.00 C ATOM 1470 CD GLU A 96 2.225 -12.765 0.740 1.00 0.00 C ATOM 1471 OE1 GLU A 96 2.807 -12.649 -0.362 1.00 0.00 O ATOM 1472 OE2 GLU A 96 2.841 -12.679 1.828 1.00 0.00 O ATOM 0 H GLU A 96 -0.952 -11.885 2.730 1.00 0.00 H new ATOM 0 HA GLU A 96 1.046 -10.345 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.162 -12.110 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.195 -11.488 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.420 -13.382 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.491 -13.867 0.071 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.098 -9.325 1.143 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.905 -8.127 0.842 1.00 0.00 C ATOM 1481 C ILE A 97 -2.331 -6.907 1.575 1.00 0.00 C ATOM 1482 O ILE A 97 -2.127 -5.862 0.956 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.402 -8.325 1.193 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.011 -9.541 0.459 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.180 -7.042 0.842 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.442 -9.876 0.903 1.00 0.00 C ATOM 0 H ILE A 97 -2.612 -10.054 1.638 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.852 -7.956 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.479 -8.525 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.009 -9.345 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.375 -10.411 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.233 -7.177 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.779 -6.205 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.079 -6.835 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.803 -10.740 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.448 -10.104 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.092 -9.022 0.711 1.00 0.00 H new ATOM 1498 N PHE A 98 -2.025 -7.047 2.869 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.456 -5.977 3.691 1.00 0.00 C ATOM 1500 C PHE A 98 -0.078 -5.525 3.164 1.00 0.00 C ATOM 1501 O PHE A 98 0.172 -4.324 3.040 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.447 -6.443 5.154 1.00 0.00 C ATOM 1503 CG PHE A 98 -0.279 -5.978 5.995 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.257 -4.684 6.549 1.00 0.00 C ATOM 1505 CD2 PHE A 98 0.785 -6.864 6.238 1.00 0.00 C ATOM 1506 CE1 PHE A 98 0.829 -4.286 7.349 1.00 0.00 C ATOM 1507 CE2 PHE A 98 1.869 -6.467 7.035 1.00 0.00 C ATOM 1508 CZ PHE A 98 1.888 -5.182 7.595 1.00 0.00 C ATOM 0 H PHE A 98 -2.168 -7.918 3.380 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.073 -5.081 3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.368 -6.102 5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.466 -7.533 5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.071 -4.000 6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.768 -7.855 5.809 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.851 -3.294 7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.686 -7.149 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.717 -4.878 8.217 1.00 0.00 H new ATOM 1518 N ASN A 99 0.786 -6.472 2.779 1.00 0.00 N ATOM 1519 CA ASN A 99 2.099 -6.187 2.191 1.00 0.00 C ATOM 1520 C ASN A 99 2.019 -5.603 0.769 1.00 0.00 C ATOM 1521 O ASN A 99 2.881 -4.799 0.407 1.00 0.00 O ATOM 1522 CB ASN A 99 2.974 -7.451 2.195 1.00 0.00 C ATOM 1523 CG ASN A 99 3.669 -7.664 3.534 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.712 -7.084 3.813 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.127 -8.507 4.390 1.00 0.00 N ATOM 0 H ASN A 99 0.590 -7.469 2.868 1.00 0.00 H new ATOM 0 HA ASN A 99 2.554 -5.420 2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.356 -8.319 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.723 -7.375 1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.576 -8.679 5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.259 -8.987 4.153 1.00 0.00 H new ATOM 1532 N LEU A 100 1.001 -5.946 -0.034 1.00 0.00 N ATOM 1533 CA LEU A 100 0.836 -5.379 -1.373 1.00 0.00 C ATOM 1534 C LEU A 100 0.188 -3.990 -1.329 1.00 0.00 C ATOM 1535 O LEU A 100 0.602 -3.119 -2.089 1.00 0.00 O ATOM 1536 CB LEU A 100 0.079 -6.374 -2.272 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.002 -5.951 -3.756 1.00 0.00 C ATOM 1538 CD1 LEU A 100 1.375 -5.706 -4.396 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.732 -7.032 -4.569 1.00 0.00 C ATOM 0 H LEU A 100 0.278 -6.617 0.226 1.00 0.00 H new ATOM 0 HA LEU A 100 1.820 -5.222 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.567 -7.347 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.933 -6.499 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.547 -5.007 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.245 -5.412 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.891 -4.912 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.966 -6.620 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.785 -6.727 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.188 -7.974 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.741 -7.163 -4.177 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.752 -3.734 -0.409 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.386 -2.418 -0.257 1.00 0.00 C ATOM 1553 C LEU A 101 -0.362 -1.299 -0.053 1.00 0.00 C ATOM 1554 O LEU A 101 -0.395 -0.303 -0.770 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.381 -2.431 0.921 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.833 -2.686 0.497 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.716 -2.789 1.738 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.382 -1.549 -0.377 1.00 0.00 C ATOM 0 H LEU A 101 -1.094 -4.433 0.250 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.919 -2.215 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.079 -3.200 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.326 -1.475 1.442 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.845 -3.612 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.748 -2.970 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.371 -3.613 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.661 -1.858 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.413 -1.769 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.349 -0.613 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.775 -1.457 -1.278 1.00 0.00 H new ATOM 1570 N GLN A 102 0.566 -1.480 0.888 1.00 0.00 N ATOM 1571 CA GLN A 102 1.619 -0.499 1.179 1.00 0.00 C ATOM 1572 C GLN A 102 2.588 -0.265 0.001 1.00 0.00 C ATOM 1573 O GLN A 102 3.157 0.820 -0.111 1.00 0.00 O ATOM 1574 CB GLN A 102 2.379 -0.886 2.462 1.00 0.00 C ATOM 1575 CG GLN A 102 3.099 -2.241 2.389 1.00 0.00 C ATOM 1576 CD GLN A 102 3.836 -2.613 3.677 1.00 0.00 C ATOM 1577 OE1 GLN A 102 3.382 -2.367 4.788 1.00 0.00 O ATOM 1578 NE2 GLN A 102 5.000 -3.223 3.587 1.00 0.00 N ATOM 0 H GLN A 102 0.611 -2.314 1.474 1.00 0.00 H new ATOM 0 HA GLN A 102 1.117 0.455 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.112 -0.110 2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.675 -0.907 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.370 -3.018 2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.812 -2.220 1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.394 -3.436 2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.507 -3.482 4.433 1.00 0.00 H new ATOM 1587 N ASP A 103 2.743 -1.235 -0.908 1.00 0.00 N ATOM 1588 CA ASP A 103 3.539 -1.100 -2.137 1.00 0.00 C ATOM 1589 C ASP A 103 2.801 -0.318 -3.235 1.00 0.00 C ATOM 1590 O ASP A 103 3.440 0.312 -4.079 1.00 0.00 O ATOM 1591 CB ASP A 103 3.929 -2.495 -2.664 1.00 0.00 C ATOM 1592 CG ASP A 103 5.420 -2.792 -2.437 1.00 0.00 C ATOM 1593 OD1 ASP A 103 5.777 -3.338 -1.367 1.00 0.00 O ATOM 1594 OD2 ASP A 103 6.236 -2.479 -3.337 1.00 0.00 O ATOM 0 H ASP A 103 2.311 -2.154 -0.809 1.00 0.00 H new ATOM 0 HA ASP A 103 4.433 -0.532 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.327 -3.254 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.703 -2.558 -3.729 1.00 0.00 H new ATOM 1599 N LEU A 104 1.465 -0.318 -3.213 1.00 0.00 N ATOM 1600 CA LEU A 104 0.621 0.414 -4.161 1.00 0.00 C ATOM 1601 C LEU A 104 0.299 1.827 -3.656 1.00 0.00 C ATOM 1602 O LEU A 104 0.243 2.759 -4.459 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.630 -0.419 -4.470 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.300 -1.800 -5.080 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.596 -2.593 -5.207 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.426 -1.718 -6.429 1.00 0.00 C ATOM 0 H LEU A 104 0.928 -0.839 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 104 1.163 0.561 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.201 -0.560 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.267 0.134 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 104 0.397 -2.304 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.383 -3.572 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.044 -2.719 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.289 -2.056 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.625 -2.725 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.199 -1.186 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.368 -1.185 -6.303 1.00 0.00 H new ATOM 1618 N MET A 105 0.232 2.013 -2.333 1.00 0.00 N ATOM 1619 CA MET A 105 0.179 3.325 -1.660 1.00 0.00 C ATOM 1620 C MET A 105 1.367 4.238 -2.028 1.00 0.00 C ATOM 1621 O MET A 105 1.248 5.460 -1.943 1.00 0.00 O ATOM 1622 CB MET A 105 0.170 3.138 -0.132 1.00 0.00 C ATOM 1623 CG MET A 105 -1.159 2.615 0.415 1.00 0.00 C ATOM 1624 SD MET A 105 -2.360 3.951 0.543 1.00 0.00 S ATOM 1625 CE MET A 105 -3.735 3.090 1.315 1.00 0.00 C ATOM 0 H MET A 105 0.212 1.233 -1.676 1.00 0.00 H new ATOM 0 HA MET A 105 -0.738 3.805 -2.001 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.965 2.445 0.145 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.398 4.092 0.343 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.545 1.833 -0.239 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.003 2.164 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.675 3.512 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.692 2.032 1.058 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.674 3.204 2.397 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.776 -5.472 6.120 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.088 -5.314 7.544 1.00 0.00 C ATOM 2273 C PHE B 2 -20.190 -4.239 8.166 1.00 0.00 C ATOM 2274 O PHE B 2 -18.966 -4.304 8.037 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.907 -6.666 8.253 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.377 -6.688 9.697 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.575 -6.149 10.725 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.631 -7.244 10.015 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.038 -6.144 12.053 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.096 -7.233 11.342 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.306 -6.669 12.361 1.00 0.00 C ATOM 0 HA PHE B 2 -22.123 -4.991 7.662 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.450 -7.430 7.696 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.852 -6.939 8.223 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.603 -5.739 10.492 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.238 -7.681 9.236 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.419 -5.736 12.838 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.060 -7.658 11.579 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.672 -6.639 13.377 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.808 -3.268 8.849 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.122 -2.160 9.522 1.00 0.00 C ATOM 2293 C ARG B 3 -19.734 -2.535 10.961 1.00 0.00 C ATOM 2294 O ARG B 3 -20.594 -2.801 11.803 1.00 0.00 O ATOM 2295 CB ARG B 3 -20.971 -0.875 9.445 1.00 0.00 C ATOM 2296 CG ARG B 3 -22.409 -0.974 10.002 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.229 0.310 9.792 1.00 0.00 C ATOM 2298 NE ARG B 3 -22.697 1.444 10.575 1.00 0.00 N ATOM 2299 CZ ARG B 3 -21.874 2.399 10.149 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -21.456 2.467 8.903 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -21.441 3.312 10.988 1.00 0.00 N ATOM 0 H ARG B 3 -21.822 -3.231 8.951 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.187 -1.957 9.000 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -20.448 -0.086 9.985 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -21.028 -0.564 8.402 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -22.921 -1.807 9.521 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -22.364 -1.199 11.068 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -23.230 0.570 8.733 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -24.265 0.128 10.076 1.00 0.00 H new ATOM 0 HE ARG B 3 -22.993 1.501 11.549 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -21.763 1.771 8.223 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -20.825 3.216 8.617 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -21.736 3.288 11.964 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -20.810 4.045 10.663 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.432 -2.555 11.252 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.896 -2.779 12.600 1.00 0.00 C ATOM 2317 C LEU B 4 -17.855 -1.490 13.431 1.00 0.00 C ATOM 2318 O LEU B 4 -17.776 -0.381 12.898 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.492 -3.403 12.508 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.482 -4.876 12.078 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.039 -5.290 11.793 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.026 -5.810 13.161 1.00 0.00 C ATOM 0 H LEU B 4 -17.707 -2.414 10.548 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.569 -3.468 13.112 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.897 -2.826 11.800 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.005 -3.317 13.479 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.121 -4.962 11.199 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.014 -6.336 11.486 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.633 -4.668 10.996 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.439 -5.162 12.694 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -16.996 -6.839 12.803 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.415 -5.720 14.059 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.055 -5.537 13.393 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.863 -1.675 14.756 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.817 -0.608 15.773 1.00 0.00 C ATOM 2336 C ARG B 5 -16.386 -0.265 16.238 1.00 0.00 C ATOM 2337 O ARG B 5 -16.189 0.674 17.011 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.683 -1.020 16.979 1.00 0.00 C ATOM 2339 CG ARG B 5 -20.167 -1.221 16.615 1.00 0.00 C ATOM 2340 CD ARG B 5 -21.009 -1.641 17.828 1.00 0.00 C ATOM 2341 NE ARG B 5 -21.133 -0.558 18.823 1.00 0.00 N ATOM 2342 CZ ARG B 5 -21.669 -0.660 20.034 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -22.163 -1.795 20.488 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -21.717 0.397 20.816 1.00 0.00 N ATOM 0 H ARG B 5 -17.903 -2.607 15.169 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.210 0.297 15.309 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.290 -1.944 17.402 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.605 -0.257 17.753 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.566 -0.295 16.200 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.249 -1.980 15.837 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -22.002 -1.939 17.493 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -20.556 -2.514 18.298 1.00 0.00 H new ATOM 0 HE ARG B 5 -20.772 0.358 18.555 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -22.141 -2.631 19.904 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -22.567 -1.837 21.424 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -21.344 1.289 20.491 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -22.128 0.324 21.747 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.388 -1.020 15.772 1.00 0.00 N ATOM 2359 CA HIS B 6 -13.989 -1.025 16.227 1.00 0.00 C ATOM 2360 C HIS B 6 -13.098 -1.842 15.266 1.00 0.00 C ATOM 2361 O HIS B 6 -13.597 -2.646 14.475 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.911 -1.555 17.676 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.801 -2.737 17.975 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -15.836 -2.732 18.913 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -14.795 -3.941 17.329 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -16.427 -3.932 18.809 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -15.828 -4.677 17.865 1.00 0.00 N ATOM 0 H HIS B 6 -15.542 -1.689 15.018 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.609 -0.004 16.219 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.879 -1.834 17.889 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.169 -0.744 18.357 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -14.114 -4.254 16.551 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -17.269 -4.255 19.403 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -16.093 -5.624 17.593 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.777 -1.629 15.315 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.832 -2.232 14.372 1.00 0.00 C ATOM 2377 C PHE B 7 -10.332 -3.608 14.871 1.00 0.00 C ATOM 2378 O PHE B 7 -9.828 -3.680 15.997 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.687 -1.240 14.114 1.00 0.00 C ATOM 2380 CG PHE B 7 -8.948 -1.510 12.824 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.652 -1.486 11.607 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.570 -1.794 12.829 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -8.999 -1.784 10.405 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.912 -2.057 11.617 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.626 -2.063 10.406 1.00 0.00 C ATOM 0 H PHE B 7 -11.334 -1.031 16.013 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.334 -2.431 13.425 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.090 -0.228 14.090 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -8.983 -1.283 14.945 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.703 -1.236 11.599 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.022 -1.810 13.759 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.553 -1.799 9.478 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.850 -2.256 11.615 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.117 -2.282 9.479 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.470 -4.696 14.080 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.186 -6.058 14.536 1.00 0.00 C ATOM 2397 C PRO B 8 -8.704 -6.452 14.429 1.00 0.00 C ATOM 2398 O PRO B 8 -8.266 -7.340 15.159 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.045 -6.954 13.639 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.062 -6.196 12.315 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.091 -4.736 12.761 1.00 0.00 C ATOM 0 HA PRO B 8 -10.416 -6.156 15.597 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.613 -7.949 13.529 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.049 -7.085 14.042 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.182 -6.417 11.711 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -11.934 -6.452 11.713 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.549 -4.104 12.057 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.114 -4.363 12.802 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.931 -5.814 13.543 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.534 -6.168 13.282 1.00 0.00 C ATOM 2411 C CYS B 9 -5.590 -5.521 14.309 1.00 0.00 C ATOM 2412 O CYS B 9 -5.563 -4.296 14.452 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.184 -5.748 11.848 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.225 -6.638 10.653 1.00 0.00 S ATOM 0 H CYS B 9 -8.263 -5.029 12.982 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.405 -7.246 13.384 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.325 -4.673 11.733 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.133 -5.955 11.648 1.00 0.00 H new ATOM 0 HG CYS B 9 -7.234 -5.996 9.523 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.782 -6.339 14.994 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.822 -5.893 16.016 1.00 0.00 C ATOM 2422 C GLY B 10 -2.517 -5.314 15.456 1.00 0.00 C ATOM 2423 O GLY B 10 -1.698 -4.816 16.229 1.00 0.00 O ATOM 0 H GLY B 10 -4.775 -7.349 14.852 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.300 -5.139 16.641 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.582 -6.737 16.663 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.330 -5.349 14.133 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.201 -4.755 13.412 1.00 0.00 C ATOM 2429 C ASN B 11 -1.693 -4.071 12.124 1.00 0.00 C ATOM 2430 O ASN B 11 -2.540 -4.612 11.406 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.148 -5.833 13.102 1.00 0.00 C ATOM 2432 CG ASN B 11 0.603 -6.280 14.354 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.424 -5.550 14.899 1.00 0.00 O ATOM 2434 ND2 ASN B 11 0.357 -7.484 14.842 1.00 0.00 N ATOM 0 H ASN B 11 -2.990 -5.812 13.509 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.735 -3.995 14.039 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.635 -6.694 12.645 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.563 -5.445 12.372 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.851 -7.808 15.674 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -0.326 -8.089 14.387 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.172 -2.873 11.842 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.617 -1.995 10.754 1.00 0.00 C ATOM 2443 C VAL B 12 -0.566 -0.924 10.441 1.00 0.00 C ATOM 2444 O VAL B 12 0.052 -0.350 11.337 1.00 0.00 O ATOM 2445 CB VAL B 12 -3.007 -1.373 11.048 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -3.173 -0.772 12.453 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.383 -0.288 10.035 1.00 0.00 C ATOM 0 H VAL B 12 -0.404 -2.474 12.382 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.731 -2.610 9.862 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.674 -2.232 10.971 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.178 -0.364 12.558 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.017 -1.549 13.202 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.442 0.023 12.597 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.364 0.117 10.283 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.642 0.511 10.066 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.411 -0.719 9.034 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.399 -0.672 9.144 1.00 0.00 N ATOM 2458 CA ASN B 13 0.388 0.412 8.561 1.00 0.00 C ATOM 2459 C ASN B 13 -0.565 1.547 8.129 1.00 0.00 C ATOM 2460 O ASN B 13 -1.530 1.312 7.399 1.00 0.00 O ATOM 2461 CB ASN B 13 1.176 -0.192 7.383 1.00 0.00 C ATOM 2462 CG ASN B 13 2.048 0.792 6.606 1.00 0.00 C ATOM 2463 OD1 ASN B 13 2.118 1.983 6.884 1.00 0.00 O ATOM 2464 ND2 ASN B 13 2.749 0.304 5.601 1.00 0.00 N ATOM 0 H ASN B 13 -0.836 -1.254 8.430 1.00 0.00 H new ATOM 0 HA ASN B 13 1.094 0.849 9.268 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.811 -0.991 7.765 1.00 0.00 H new ATOM 0 HB3 ASN B 13 0.469 -0.649 6.691 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.351 0.919 5.053 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.689 -0.688 5.372 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.324 2.773 8.603 1.00 0.00 N ATOM 2472 CA TYR B 14 -1.155 3.940 8.277 1.00 0.00 C ATOM 2473 C TYR B 14 -0.699 4.606 6.962 1.00 0.00 C ATOM 2474 O TYR B 14 0.468 4.983 6.820 1.00 0.00 O ATOM 2475 CB TYR B 14 -1.150 4.931 9.452 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.556 4.329 10.788 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.886 3.918 11.011 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.596 4.171 11.809 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.257 3.357 12.250 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.961 3.608 13.048 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.294 3.200 13.273 1.00 0.00 C ATOM 2482 OH TYR B 14 -2.643 2.661 14.475 1.00 0.00 O ATOM 0 H TYR B 14 0.455 2.987 9.226 1.00 0.00 H new ATOM 0 HA TYR B 14 -2.180 3.605 8.118 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -0.151 5.356 9.548 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.825 5.754 9.219 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.623 4.033 10.230 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.424 4.483 11.640 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.278 3.047 12.418 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.221 3.489 13.826 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.857 2.627 15.059 1.00 0.00 H new