USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 41 LYS NZ :NH3+ 158:sc= 1.65 (180deg=1.17) USER MOD Set 1.2: A 56 GLN : amide:sc= 0.134 K(o=1.8,f=-2.4) USER MOD Set 2.1: A 36 THR OG1 : rot -176:sc= 0.835 USER MOD Set 2.2: A 39 SER OG : rot 139:sc= 0.117 USER MOD Set 3.1: A 24 SER OG : rot -165:sc= 1.25 USER MOD Set 3.2: A 25 LYS NZ :NH3+ -124:sc= 1.22 (180deg=0.0264) USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= -0.213 (180deg=-1.81!) USER MOD Single : A 17 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-5.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 1.07 (180deg=0.989) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -71:sc= 1.24 USER MOD Single : A 38 SER OG : rot 59:sc= 1.21 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= 0.985 (180deg=-0.46!) USER MOD Single : A 45 HIS : no HE2:sc= 0.578 K(o=0.58,f=-4.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 157:sc= 0.619 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -1.12 (180deg=-1.67) USER MOD Single : A 55 MET CE :methyl 162:sc= -0.53 (180deg=-1.51!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 126:sc= 0.136 USER MOD Single : A 60 SER OG : rot 92:sc= 0.00955 USER MOD Single : A 68 TYR OH : rot 59:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.3!) USER MOD Single : A 72 ASN : amide:sc= -0.617 K(o=-0.62,f=-4.4!) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.203 USER MOD Single : A 77 THR OG1 : rot 38:sc= 0.342 USER MOD Single : A 80 SER OG : rot -98:sc= 0.368 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 224 N LYS A 15 -13.958 2.552 -1.857 1.00 0.00 N ATOM 225 CA LYS A 15 -12.608 2.239 -2.268 1.00 0.00 C ATOM 226 C LYS A 15 -11.883 3.496 -2.692 1.00 0.00 C ATOM 227 O LYS A 15 -12.487 4.434 -3.218 1.00 0.00 O ATOM 228 CB LYS A 15 -12.600 1.237 -3.415 1.00 0.00 C ATOM 229 CG LYS A 15 -13.435 0.003 -3.149 1.00 0.00 C ATOM 230 CD LYS A 15 -13.291 -0.475 -1.717 1.00 0.00 C ATOM 231 CE LYS A 15 -13.866 -1.873 -1.539 1.00 0.00 C ATOM 232 NZ LYS A 15 -13.570 -2.433 -0.195 1.00 0.00 N ATOM 0 HA LYS A 15 -12.096 1.795 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.968 1.727 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.572 0.934 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.483 0.221 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.135 -0.793 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.238 -0.474 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.800 0.218 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.945 -1.842 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.457 -2.533 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.257 -3.181 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.610 -2.832 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.636 -1.678 0.518 1.00 0.00 H new ATOM 246 N ILE A 16 -10.591 3.498 -2.473 1.00 0.00 N ATOM 247 CA ILE A 16 -9.753 4.630 -2.796 1.00 0.00 C ATOM 248 C ILE A 16 -8.673 4.210 -3.780 1.00 0.00 C ATOM 249 O ILE A 16 -8.277 3.043 -3.825 1.00 0.00 O ATOM 250 CB ILE A 16 -9.109 5.237 -1.528 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.303 4.177 -0.764 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.180 5.848 -0.633 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.717 4.673 0.541 1.00 0.00 C ATOM 0 H ILE A 16 -10.087 2.711 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.381 5.396 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.422 6.026 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.948 3.322 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.494 3.821 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.713 6.272 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.704 6.634 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.890 5.076 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.163 3.866 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.045 5.508 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.521 5.002 1.199 1.00 0.00 H new ATOM 265 N HIS A 17 -8.222 5.151 -4.591 1.00 0.00 N ATOM 266 CA HIS A 17 -7.188 4.872 -5.575 1.00 0.00 C ATOM 267 C HIS A 17 -5.834 5.319 -5.050 1.00 0.00 C ATOM 268 O HIS A 17 -5.595 6.511 -4.876 1.00 0.00 O ATOM 269 CB HIS A 17 -7.496 5.572 -6.906 1.00 0.00 C ATOM 270 CG HIS A 17 -8.709 5.030 -7.600 1.00 0.00 C ATOM 271 ND1 HIS A 17 -9.844 5.774 -7.841 1.00 0.00 N ATOM 272 CD2 HIS A 17 -8.960 3.799 -8.096 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.741 5.019 -8.448 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.231 3.815 -8.614 1.00 0.00 N ATOM 0 H HIS A 17 -8.555 6.115 -4.588 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.165 3.797 -5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.637 6.637 -6.723 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.635 5.474 -7.567 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.284 2.956 -8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.727 5.335 -8.757 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.703 3.025 -9.055 1.00 0.00 H new ATOM 283 N VAL A 18 -4.967 4.360 -4.777 1.00 0.00 N ATOM 284 CA VAL A 18 -3.636 4.664 -4.270 1.00 0.00 C ATOM 285 C VAL A 18 -2.601 4.552 -5.380 1.00 0.00 C ATOM 286 O VAL A 18 -2.639 3.622 -6.190 1.00 0.00 O ATOM 287 CB VAL A 18 -3.234 3.732 -3.107 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.186 3.898 -1.936 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.191 2.282 -3.569 1.00 0.00 C ATOM 0 H VAL A 18 -5.158 3.365 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.667 5.687 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.234 4.011 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.886 3.233 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.157 4.930 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.199 3.650 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.906 1.642 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.175 1.987 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.461 2.177 -4.372 1.00 0.00 H new ATOM 299 N THR A 19 -1.685 5.501 -5.424 1.00 0.00 N ATOM 300 CA THR A 19 -0.637 5.491 -6.424 1.00 0.00 C ATOM 301 C THR A 19 0.581 4.739 -5.904 1.00 0.00 C ATOM 302 O THR A 19 1.267 5.210 -4.999 1.00 0.00 O ATOM 303 CB THR A 19 -0.222 6.920 -6.807 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.367 7.667 -7.238 1.00 0.00 O ATOM 305 CG2 THR A 19 0.827 6.900 -7.910 1.00 0.00 C ATOM 0 H THR A 19 -1.646 6.289 -4.778 1.00 0.00 H new ATOM 0 HA THR A 19 -1.029 4.990 -7.309 1.00 0.00 H new ATOM 0 HB THR A 19 0.209 7.398 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.093 8.577 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.106 7.922 -8.165 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.708 6.359 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.419 6.404 -8.791 1.00 0.00 H new ATOM 313 N VAL A 20 0.848 3.577 -6.475 1.00 0.00 N ATOM 314 CA VAL A 20 1.975 2.767 -6.051 1.00 0.00 C ATOM 315 C VAL A 20 3.221 3.131 -6.849 1.00 0.00 C ATOM 316 O VAL A 20 3.295 2.893 -8.057 1.00 0.00 O ATOM 317 CB VAL A 20 1.684 1.259 -6.201 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.849 0.427 -5.687 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.403 0.890 -5.468 1.00 0.00 C ATOM 0 H VAL A 20 0.299 3.174 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 20 2.146 2.975 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 20 1.554 1.042 -7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.619 -0.632 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.747 0.668 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.017 0.648 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.212 -0.177 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.508 1.127 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.431 1.455 -5.885 1.00 0.00 H new ATOM 329 N LYS A 21 4.181 3.735 -6.169 1.00 0.00 N ATOM 330 CA LYS A 21 5.439 4.117 -6.787 1.00 0.00 C ATOM 331 C LYS A 21 6.466 3.013 -6.611 1.00 0.00 C ATOM 332 O LYS A 21 7.121 2.920 -5.572 1.00 0.00 O ATOM 333 CB LYS A 21 5.971 5.409 -6.170 1.00 0.00 C ATOM 334 CG LYS A 21 5.056 6.607 -6.357 1.00 0.00 C ATOM 335 CD LYS A 21 5.612 7.826 -5.648 1.00 0.00 C ATOM 336 CE LYS A 21 4.707 9.033 -5.805 1.00 0.00 C ATOM 337 NZ LYS A 21 4.551 9.443 -7.227 1.00 0.00 N ATOM 0 H LYS A 21 4.111 3.973 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 21 5.260 4.279 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.132 5.251 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.943 5.635 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.941 6.820 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.064 6.376 -5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.740 7.603 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.600 8.059 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.727 8.806 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.114 9.866 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.952 10.291 -7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.485 9.653 -7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.106 8.671 -7.764 1.00 0.00 H new ATOM 351 N PHE A 22 6.585 2.169 -7.615 1.00 0.00 N ATOM 352 CA PHE A 22 7.541 1.081 -7.577 1.00 0.00 C ATOM 353 C PHE A 22 8.751 1.409 -8.438 1.00 0.00 C ATOM 354 O PHE A 22 8.620 2.032 -9.495 1.00 0.00 O ATOM 355 CB PHE A 22 6.892 -0.212 -8.079 1.00 0.00 C ATOM 356 CG PHE A 22 6.873 -1.314 -7.068 1.00 0.00 C ATOM 357 CD1 PHE A 22 7.956 -2.166 -6.931 1.00 0.00 C ATOM 358 CD2 PHE A 22 5.770 -1.502 -6.255 1.00 0.00 C ATOM 359 CE1 PHE A 22 7.938 -3.181 -5.998 1.00 0.00 C ATOM 360 CE2 PHE A 22 5.749 -2.514 -5.321 1.00 0.00 C ATOM 361 CZ PHE A 22 6.833 -3.354 -5.193 1.00 0.00 C ATOM 0 H PHE A 22 6.030 2.216 -8.470 1.00 0.00 H new ATOM 0 HA PHE A 22 7.864 0.944 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.869 0.003 -8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.426 -0.555 -8.965 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.823 -2.034 -7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.916 -0.848 -6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.788 -3.839 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.883 -2.649 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.817 -4.148 -4.462 1.00 0.00 H new ATOM 371 N PRO A 23 9.953 1.008 -7.995 1.00 0.00 N ATOM 372 CA PRO A 23 11.162 1.095 -8.818 1.00 0.00 C ATOM 373 C PRO A 23 11.006 0.282 -10.102 1.00 0.00 C ATOM 374 O PRO A 23 11.716 0.493 -11.084 1.00 0.00 O ATOM 375 CB PRO A 23 12.265 0.503 -7.931 1.00 0.00 C ATOM 376 CG PRO A 23 11.548 -0.237 -6.851 1.00 0.00 C ATOM 377 CD PRO A 23 10.239 0.470 -6.656 1.00 0.00 C ATOM 0 HA PRO A 23 11.380 2.116 -9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.913 -0.163 -8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.899 1.287 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.390 -1.278 -7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.130 -0.240 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.458 -0.212 -6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.315 1.261 -5.910 1.00 0.00 H new ATOM 385 N SER A 24 10.060 -0.647 -10.072 1.00 0.00 N ATOM 386 CA SER A 24 9.699 -1.426 -11.242 1.00 0.00 C ATOM 387 C SER A 24 8.873 -0.563 -12.200 1.00 0.00 C ATOM 388 O SER A 24 9.346 -0.188 -13.275 1.00 0.00 O ATOM 389 CB SER A 24 8.915 -2.671 -10.807 1.00 0.00 C ATOM 390 OG SER A 24 8.559 -3.484 -11.910 1.00 0.00 O ATOM 0 H SER A 24 9.524 -0.879 -9.236 1.00 0.00 H new ATOM 0 HA SER A 24 10.600 -1.751 -11.763 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.516 -3.252 -10.107 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.014 -2.365 -10.276 1.00 0.00 H new ATOM 0 HG SER A 24 7.867 -4.122 -11.636 1.00 0.00 H new ATOM 396 N LYS A 25 7.644 -0.245 -11.798 1.00 0.00 N ATOM 397 CA LYS A 25 6.783 0.652 -12.560 1.00 0.00 C ATOM 398 C LYS A 25 5.798 1.352 -11.638 1.00 0.00 C ATOM 399 O LYS A 25 5.726 1.051 -10.452 1.00 0.00 O ATOM 400 CB LYS A 25 6.025 -0.119 -13.637 1.00 0.00 C ATOM 401 CG LYS A 25 5.316 -1.344 -13.105 1.00 0.00 C ATOM 402 CD LYS A 25 4.643 -2.123 -14.215 1.00 0.00 C ATOM 403 CE LYS A 25 4.300 -3.530 -13.766 1.00 0.00 C ATOM 404 NZ LYS A 25 5.517 -4.369 -13.601 1.00 0.00 N ATOM 0 H LYS A 25 7.221 -0.600 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 25 7.412 1.401 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.294 0.543 -14.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.723 -0.421 -14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.032 -1.986 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.572 -1.043 -12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.735 -1.606 -14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.300 -2.165 -15.084 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.757 -3.488 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.636 -3.993 -14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.432 -5.223 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.355 -3.828 -13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.617 -4.644 -12.603 1.00 0.00 H new ATOM 418 N GLN A 26 5.035 2.273 -12.190 1.00 0.00 N ATOM 419 CA GLN A 26 4.062 3.021 -11.410 1.00 0.00 C ATOM 420 C GLN A 26 2.652 2.646 -11.839 1.00 0.00 C ATOM 421 O GLN A 26 2.324 2.697 -13.027 1.00 0.00 O ATOM 422 CB GLN A 26 4.277 4.526 -11.583 1.00 0.00 C ATOM 423 CG GLN A 26 3.511 5.365 -10.570 1.00 0.00 C ATOM 424 CD GLN A 26 3.612 6.853 -10.844 1.00 0.00 C ATOM 425 OE1 GLN A 26 2.772 7.424 -11.538 1.00 0.00 O ATOM 426 NE2 GLN A 26 4.648 7.486 -10.317 1.00 0.00 N ATOM 0 H GLN A 26 5.068 2.524 -13.178 1.00 0.00 H new ATOM 0 HA GLN A 26 4.195 2.770 -10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.341 4.746 -11.496 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.973 4.816 -12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.462 5.069 -10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.893 5.157 -9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.322 6.975 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.772 8.485 -10.481 1.00 0.00 H new ATOM 435 N PHE A 27 1.826 2.268 -10.875 1.00 0.00 N ATOM 436 CA PHE A 27 0.459 1.853 -11.153 1.00 0.00 C ATOM 437 C PHE A 27 -0.461 2.235 -9.997 1.00 0.00 C ATOM 438 O PHE A 27 0.001 2.464 -8.878 1.00 0.00 O ATOM 439 CB PHE A 27 0.400 0.340 -11.414 1.00 0.00 C ATOM 440 CG PHE A 27 0.965 -0.505 -10.301 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.318 -0.806 -10.258 1.00 0.00 C ATOM 442 CD2 PHE A 27 0.140 -1.001 -9.303 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.837 -1.582 -9.241 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.655 -1.778 -8.283 1.00 0.00 C ATOM 445 CZ PHE A 27 2.005 -2.070 -8.252 1.00 0.00 C ATOM 0 H PHE A 27 2.081 2.240 -9.888 1.00 0.00 H new ATOM 0 HA PHE A 27 0.116 2.370 -12.049 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.638 0.052 -11.581 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.944 0.120 -12.333 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.973 -0.429 -11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.916 -0.778 -9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.893 -1.807 -9.219 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.002 -2.157 -7.510 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.409 -2.678 -7.456 1.00 0.00 H new ATOM 455 N THR A 28 -1.755 2.315 -10.275 1.00 0.00 N ATOM 456 CA THR A 28 -2.737 2.655 -9.256 1.00 0.00 C ATOM 457 C THR A 28 -3.521 1.413 -8.851 1.00 0.00 C ATOM 458 O THR A 28 -3.862 0.581 -9.693 1.00 0.00 O ATOM 459 CB THR A 28 -3.723 3.723 -9.763 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.043 4.654 -10.615 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.356 4.479 -8.607 1.00 0.00 C ATOM 0 H THR A 28 -2.149 2.148 -11.201 1.00 0.00 H new ATOM 0 HA THR A 28 -2.197 3.054 -8.397 1.00 0.00 H new ATOM 0 HB THR A 28 -4.508 3.213 -10.321 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.678 5.329 -10.935 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.047 5.226 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.898 3.781 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.578 4.973 -8.025 1.00 0.00 H new ATOM 469 N VAL A 29 -3.798 1.284 -7.568 1.00 0.00 N ATOM 470 CA VAL A 29 -4.535 0.131 -7.063 1.00 0.00 C ATOM 471 C VAL A 29 -5.784 0.588 -6.319 1.00 0.00 C ATOM 472 O VAL A 29 -5.758 1.613 -5.633 1.00 0.00 O ATOM 473 CB VAL A 29 -3.661 -0.728 -6.117 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.388 -1.995 -5.691 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.340 -1.080 -6.776 1.00 0.00 C ATOM 0 H VAL A 29 -3.526 1.959 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.820 -0.479 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.461 -0.134 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.748 -2.576 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.307 -1.729 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.631 -2.589 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.742 -1.684 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.528 -1.644 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.800 -0.165 -7.019 1.00 0.00 H new ATOM 485 N GLU A 30 -6.880 -0.147 -6.480 1.00 0.00 N ATOM 486 CA GLU A 30 -8.093 0.128 -5.720 1.00 0.00 C ATOM 487 C GLU A 30 -8.085 -0.643 -4.424 1.00 0.00 C ATOM 488 O GLU A 30 -8.077 -1.876 -4.414 1.00 0.00 O ATOM 489 CB GLU A 30 -9.360 -0.224 -6.490 1.00 0.00 C ATOM 490 CG GLU A 30 -9.521 0.570 -7.763 1.00 0.00 C ATOM 491 CD GLU A 30 -10.892 0.409 -8.383 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.324 -0.740 -8.610 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.553 1.441 -8.635 1.00 0.00 O ATOM 0 H GLU A 30 -6.953 -0.933 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.100 1.201 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.347 -1.287 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.226 -0.053 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.343 1.625 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.763 0.256 -8.481 1.00 0.00 H new ATOM 500 N VAL A 31 -8.081 0.091 -3.342 1.00 0.00 N ATOM 501 CA VAL A 31 -8.100 -0.498 -2.020 1.00 0.00 C ATOM 502 C VAL A 31 -9.145 0.207 -1.174 1.00 0.00 C ATOM 503 O VAL A 31 -9.520 1.335 -1.468 1.00 0.00 O ATOM 504 CB VAL A 31 -6.719 -0.403 -1.333 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.633 -0.966 -2.232 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.396 1.033 -0.942 1.00 0.00 C ATOM 0 H VAL A 31 -8.065 1.111 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.347 -1.555 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.759 -1.000 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.669 -0.890 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.847 -2.012 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.602 -0.401 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.419 1.068 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.384 1.659 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.154 1.401 -0.251 1.00 0.00 H new ATOM 516 N ASP A 32 -9.640 -0.462 -0.156 1.00 0.00 N ATOM 517 CA ASP A 32 -10.583 0.163 0.764 1.00 0.00 C ATOM 518 C ASP A 32 -9.836 1.101 1.706 1.00 0.00 C ATOM 519 O ASP A 32 -8.625 0.982 1.871 1.00 0.00 O ATOM 520 CB ASP A 32 -11.331 -0.901 1.572 1.00 0.00 C ATOM 521 CG ASP A 32 -12.575 -0.352 2.245 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.456 0.281 3.316 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.680 -0.547 1.698 1.00 0.00 O ATOM 0 H ASP A 32 -9.411 -1.432 0.060 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.310 0.734 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.611 -1.723 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.664 -1.313 2.329 1.00 0.00 H new ATOM 528 N ARG A 33 -10.546 2.032 2.320 1.00 0.00 N ATOM 529 CA ARG A 33 -9.927 2.927 3.289 1.00 0.00 C ATOM 530 C ARG A 33 -9.635 2.178 4.591 1.00 0.00 C ATOM 531 O ARG A 33 -8.798 2.597 5.391 1.00 0.00 O ATOM 532 CB ARG A 33 -10.814 4.147 3.548 1.00 0.00 C ATOM 533 CG ARG A 33 -12.211 3.805 4.038 1.00 0.00 C ATOM 534 CD ARG A 33 -13.051 5.055 4.233 1.00 0.00 C ATOM 535 NE ARG A 33 -14.395 4.744 4.725 1.00 0.00 N ATOM 536 CZ ARG A 33 -15.336 5.659 4.961 1.00 0.00 C ATOM 537 NH1 ARG A 33 -15.085 6.951 4.772 1.00 0.00 N ATOM 538 NH2 ARG A 33 -16.529 5.277 5.394 1.00 0.00 N ATOM 0 H ARG A 33 -11.542 2.189 2.169 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.983 3.283 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.328 4.786 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.895 4.726 2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.699 3.145 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.145 3.259 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.552 5.720 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.127 5.592 3.287 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.626 3.766 4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.166 7.249 4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.811 7.644 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.724 4.287 5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.252 5.973 5.576 1.00 0.00 H new ATOM 552 N THR A 34 -10.325 1.059 4.787 1.00 0.00 N ATOM 553 CA THR A 34 -10.085 0.195 5.934 1.00 0.00 C ATOM 554 C THR A 34 -9.233 -1.008 5.525 1.00 0.00 C ATOM 555 O THR A 34 -9.144 -1.999 6.252 1.00 0.00 O ATOM 556 CB THR A 34 -11.406 -0.291 6.573 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.220 -0.970 5.606 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.183 0.878 7.160 1.00 0.00 C ATOM 0 H THR A 34 -11.059 0.729 4.161 1.00 0.00 H new ATOM 0 HA THR A 34 -9.549 0.783 6.678 1.00 0.00 H new ATOM 0 HB THR A 34 -11.151 -0.986 7.373 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.576 -0.321 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.109 0.513 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.581 1.367 7.926 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.416 1.593 6.371 1.00 0.00 H new ATOM 566 N GLU A 35 -8.621 -0.911 4.347 1.00 0.00 N ATOM 567 CA GLU A 35 -7.729 -1.951 3.844 1.00 0.00 C ATOM 568 C GLU A 35 -6.542 -2.111 4.785 1.00 0.00 C ATOM 569 O GLU A 35 -5.942 -1.125 5.217 1.00 0.00 O ATOM 570 CB GLU A 35 -7.236 -1.579 2.439 1.00 0.00 C ATOM 571 CG GLU A 35 -6.504 -2.687 1.700 1.00 0.00 C ATOM 572 CD GLU A 35 -7.440 -3.682 1.044 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.483 -3.262 0.494 1.00 0.00 O ATOM 574 OE2 GLU A 35 -7.117 -4.890 1.032 1.00 0.00 O ATOM 0 H GLU A 35 -8.729 -0.115 3.719 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.272 -2.895 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.092 -1.268 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.573 -0.717 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.861 -2.245 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.854 -3.214 2.399 1.00 0.00 H new ATOM 581 N THR A 36 -6.223 -3.347 5.109 1.00 0.00 N ATOM 582 CA THR A 36 -5.128 -3.645 6.005 1.00 0.00 C ATOM 583 C THR A 36 -3.788 -3.390 5.317 1.00 0.00 C ATOM 584 O THR A 36 -3.682 -3.526 4.099 1.00 0.00 O ATOM 585 CB THR A 36 -5.210 -5.111 6.444 1.00 0.00 C ATOM 586 OG1 THR A 36 -6.536 -5.603 6.196 1.00 0.00 O ATOM 587 CG2 THR A 36 -4.893 -5.250 7.918 1.00 0.00 C ATOM 0 H THR A 36 -6.714 -4.170 4.759 1.00 0.00 H new ATOM 0 HA THR A 36 -5.202 -2.995 6.877 1.00 0.00 H new ATOM 0 HB THR A 36 -4.480 -5.688 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.613 -6.521 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.957 -6.299 8.207 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.885 -4.882 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.608 -4.669 8.500 1.00 0.00 H new ATOM 595 N VAL A 37 -2.773 -3.020 6.089 1.00 0.00 N ATOM 596 CA VAL A 37 -1.442 -2.773 5.540 1.00 0.00 C ATOM 597 C VAL A 37 -0.920 -4.010 4.811 1.00 0.00 C ATOM 598 O VAL A 37 -0.378 -3.918 3.706 1.00 0.00 O ATOM 599 CB VAL A 37 -0.445 -2.366 6.645 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.954 -2.184 6.077 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.906 -1.095 7.333 1.00 0.00 C ATOM 0 H VAL A 37 -2.845 -2.884 7.097 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.530 -1.949 4.832 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.410 -3.169 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.637 -1.897 6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.290 -3.120 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.939 -1.404 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.192 -0.822 8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.973 -0.289 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.885 -1.259 7.783 1.00 0.00 H new ATOM 611 N SER A 38 -1.113 -5.172 5.424 1.00 0.00 N ATOM 612 CA SER A 38 -0.685 -6.428 4.825 1.00 0.00 C ATOM 613 C SER A 38 -1.541 -6.758 3.607 1.00 0.00 C ATOM 614 O SER A 38 -1.090 -7.430 2.682 1.00 0.00 O ATOM 615 CB SER A 38 -0.772 -7.563 5.846 1.00 0.00 C ATOM 616 OG SER A 38 0.346 -8.426 5.734 1.00 0.00 O ATOM 0 H SER A 38 -1.563 -5.269 6.334 1.00 0.00 H new ATOM 0 HA SER A 38 0.352 -6.319 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.819 -7.149 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.691 -8.128 5.691 1.00 0.00 H new ATOM 0 HG SER A 38 1.170 -7.914 5.877 1.00 0.00 H new ATOM 622 N SER A 39 -2.770 -6.258 3.599 1.00 0.00 N ATOM 623 CA SER A 39 -3.687 -6.511 2.507 1.00 0.00 C ATOM 624 C SER A 39 -3.344 -5.593 1.345 1.00 0.00 C ATOM 625 O SER A 39 -3.552 -5.931 0.179 1.00 0.00 O ATOM 626 CB SER A 39 -5.127 -6.294 2.973 1.00 0.00 C ATOM 627 OG SER A 39 -5.421 -7.107 4.100 1.00 0.00 O ATOM 0 H SER A 39 -3.151 -5.673 4.342 1.00 0.00 H new ATOM 0 HA SER A 39 -3.594 -7.545 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.277 -5.245 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.816 -6.527 2.161 1.00 0.00 H new ATOM 0 HG SER A 39 -5.948 -6.592 4.746 1.00 0.00 H new ATOM 633 N LEU A 40 -2.805 -4.430 1.686 1.00 0.00 N ATOM 634 CA LEU A 40 -2.300 -3.490 0.704 1.00 0.00 C ATOM 635 C LEU A 40 -1.123 -4.116 -0.028 1.00 0.00 C ATOM 636 O LEU A 40 -1.076 -4.139 -1.258 1.00 0.00 O ATOM 637 CB LEU A 40 -1.852 -2.201 1.399 1.00 0.00 C ATOM 638 CG LEU A 40 -1.658 -1.003 0.477 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.988 -0.612 -0.125 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.046 0.168 1.229 1.00 0.00 C ATOM 0 H LEU A 40 -2.707 -4.115 2.651 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.089 -3.251 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.590 -1.940 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.914 -2.394 1.920 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.969 -1.280 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.851 0.245 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.389 -1.449 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.685 -0.349 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.918 1.010 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.705 0.459 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.076 -0.125 1.631 1.00 0.00 H new ATOM 652 N LYS A 41 -0.184 -4.644 0.753 1.00 0.00 N ATOM 653 CA LYS A 41 0.977 -5.338 0.211 1.00 0.00 C ATOM 654 C LYS A 41 0.547 -6.573 -0.580 1.00 0.00 C ATOM 655 O LYS A 41 1.139 -6.896 -1.608 1.00 0.00 O ATOM 656 CB LYS A 41 1.932 -5.740 1.341 1.00 0.00 C ATOM 657 CG LYS A 41 2.591 -4.559 2.035 1.00 0.00 C ATOM 658 CD LYS A 41 3.416 -4.992 3.239 1.00 0.00 C ATOM 659 CE LYS A 41 4.080 -3.799 3.911 1.00 0.00 C ATOM 660 NZ LYS A 41 4.853 -4.191 5.121 1.00 0.00 N ATOM 0 H LYS A 41 -0.207 -4.603 1.772 1.00 0.00 H new ATOM 0 HA LYS A 41 1.497 -4.659 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.382 -6.323 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.707 -6.390 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.232 -4.034 1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.825 -3.853 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.776 -5.506 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.178 -5.705 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.745 -3.308 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.318 -3.071 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.568 -3.464 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.207 -4.281 5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.325 -5.102 4.951 1.00 0.00 H new ATOM 674 N ASP A 42 -0.486 -7.254 -0.096 1.00 0.00 N ATOM 675 CA ASP A 42 -1.018 -8.431 -0.778 1.00 0.00 C ATOM 676 C ASP A 42 -1.503 -8.061 -2.175 1.00 0.00 C ATOM 677 O ASP A 42 -1.153 -8.718 -3.154 1.00 0.00 O ATOM 678 CB ASP A 42 -2.163 -9.052 0.028 1.00 0.00 C ATOM 679 CG ASP A 42 -2.637 -10.371 -0.553 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.949 -11.396 -0.349 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.698 -10.395 -1.206 1.00 0.00 O ATOM 0 H ASP A 42 -0.973 -7.012 0.767 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.217 -9.165 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.836 -9.209 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.999 -8.353 0.063 1.00 0.00 H new ATOM 686 N LYS A 43 -2.286 -6.988 -2.261 1.00 0.00 N ATOM 687 CA LYS A 43 -2.781 -6.493 -3.544 1.00 0.00 C ATOM 688 C LYS A 43 -1.631 -6.119 -4.479 1.00 0.00 C ATOM 689 O LYS A 43 -1.647 -6.466 -5.660 1.00 0.00 O ATOM 690 CB LYS A 43 -3.690 -5.280 -3.337 1.00 0.00 C ATOM 691 CG LYS A 43 -5.107 -5.629 -2.912 1.00 0.00 C ATOM 692 CD LYS A 43 -5.914 -4.369 -2.642 1.00 0.00 C ATOM 693 CE LYS A 43 -7.409 -4.633 -2.587 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.789 -5.559 -1.489 1.00 0.00 N ATOM 0 H LYS A 43 -2.592 -6.443 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.353 -7.298 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.245 -4.632 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.731 -4.708 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.591 -6.217 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.081 -6.249 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.591 -3.931 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.707 -3.635 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.936 -3.688 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.735 -5.052 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.773 -5.376 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.700 -6.542 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.161 -5.408 -0.674 1.00 0.00 H new ATOM 708 N ILE A 44 -0.635 -5.419 -3.948 1.00 0.00 N ATOM 709 CA ILE A 44 0.523 -5.020 -4.739 1.00 0.00 C ATOM 710 C ILE A 44 1.287 -6.247 -5.225 1.00 0.00 C ATOM 711 O ILE A 44 1.771 -6.276 -6.353 1.00 0.00 O ATOM 712 CB ILE A 44 1.465 -4.095 -3.938 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.717 -2.827 -3.516 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.695 -3.739 -4.763 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.539 -1.889 -2.662 1.00 0.00 C ATOM 0 H ILE A 44 -0.606 -5.116 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 44 0.155 -4.464 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 44 1.797 -4.622 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.388 -2.296 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.180 -3.112 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.347 -3.087 -4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.233 -4.650 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.386 -3.225 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.942 -1.015 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.846 -2.402 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.423 -1.573 -3.216 1.00 0.00 H new ATOM 727 N HIS A 45 1.361 -7.271 -4.383 1.00 0.00 N ATOM 728 CA HIS A 45 2.035 -8.512 -4.742 1.00 0.00 C ATOM 729 C HIS A 45 1.314 -9.216 -5.891 1.00 0.00 C ATOM 730 O HIS A 45 1.925 -9.944 -6.666 1.00 0.00 O ATOM 731 CB HIS A 45 2.134 -9.441 -3.531 1.00 0.00 C ATOM 732 CG HIS A 45 2.891 -10.700 -3.811 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.251 -10.730 -4.016 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.465 -11.976 -3.941 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.629 -11.971 -4.260 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.564 -12.748 -4.222 1.00 0.00 N ATOM 0 H HIS A 45 0.961 -7.266 -3.445 1.00 0.00 H new ATOM 0 HA HIS A 45 3.043 -8.261 -5.074 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.618 -8.909 -2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.129 -9.697 -3.195 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.870 -9.920 -3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.447 -12.324 -3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.640 -12.295 -4.457 1.00 0.00 H new ATOM 745 N ILE A 46 0.009 -9.018 -5.971 1.00 0.00 N ATOM 746 CA ILE A 46 -0.792 -9.620 -7.027 1.00 0.00 C ATOM 747 C ILE A 46 -0.571 -8.899 -8.359 1.00 0.00 C ATOM 748 O ILE A 46 -0.547 -9.522 -9.424 1.00 0.00 O ATOM 749 CB ILE A 46 -2.290 -9.597 -6.655 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.511 -10.400 -5.372 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.141 -10.148 -7.791 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.918 -10.315 -4.825 1.00 0.00 C ATOM 0 H ILE A 46 -0.521 -8.443 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.474 -10.657 -7.138 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.596 -8.565 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.270 -11.445 -5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.815 -10.047 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.192 -10.121 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.993 -9.541 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.848 -11.177 -7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.991 -10.911 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.158 -9.276 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.620 -10.696 -5.566 1.00 0.00 H new ATOM 764 N VAL A 47 -0.402 -7.585 -8.293 1.00 0.00 N ATOM 765 CA VAL A 47 -0.162 -6.782 -9.487 1.00 0.00 C ATOM 766 C VAL A 47 1.301 -6.871 -9.918 1.00 0.00 C ATOM 767 O VAL A 47 1.606 -7.189 -11.068 1.00 0.00 O ATOM 768 CB VAL A 47 -0.533 -5.301 -9.255 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.227 -4.472 -10.492 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.997 -5.170 -8.865 1.00 0.00 C ATOM 0 H VAL A 47 -0.427 -7.051 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.797 -7.185 -10.276 1.00 0.00 H new ATOM 0 HB VAL A 47 0.073 -4.920 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.495 -3.432 -10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.837 -4.537 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.803 -4.852 -11.336 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.239 -4.119 -8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.623 -5.570 -9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.180 -5.727 -7.946 1.00 0.00 H new ATOM 780 N GLU A 48 2.193 -6.590 -8.985 1.00 0.00 N ATOM 781 CA GLU A 48 3.622 -6.614 -9.246 1.00 0.00 C ATOM 782 C GLU A 48 4.165 -8.031 -9.051 1.00 0.00 C ATOM 783 O GLU A 48 3.409 -8.955 -8.759 1.00 0.00 O ATOM 784 CB GLU A 48 4.324 -5.632 -8.302 1.00 0.00 C ATOM 785 CG GLU A 48 5.067 -4.508 -9.008 1.00 0.00 C ATOM 786 CD GLU A 48 6.195 -5.006 -9.885 1.00 0.00 C ATOM 787 OE1 GLU A 48 6.979 -5.859 -9.420 1.00 0.00 O ATOM 788 OE2 GLU A 48 6.297 -4.558 -11.049 1.00 0.00 O ATOM 0 H GLU A 48 1.949 -6.339 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 48 3.812 -6.314 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.582 -5.197 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.029 -6.184 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.363 -3.941 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.469 -3.821 -8.263 1.00 0.00 H new ATOM 795 N ASN A 49 5.468 -8.207 -9.210 1.00 0.00 N ATOM 796 CA ASN A 49 6.083 -9.518 -9.020 1.00 0.00 C ATOM 797 C ASN A 49 7.054 -9.470 -7.854 1.00 0.00 C ATOM 798 O ASN A 49 7.950 -10.308 -7.729 1.00 0.00 O ATOM 799 CB ASN A 49 6.812 -9.979 -10.287 1.00 0.00 C ATOM 800 CG ASN A 49 5.878 -10.168 -11.466 1.00 0.00 C ATOM 801 OD1 ASN A 49 5.249 -11.217 -11.616 1.00 0.00 O ATOM 802 ND2 ASN A 49 5.798 -9.167 -12.326 1.00 0.00 N ATOM 0 H ASN A 49 6.119 -7.466 -9.468 1.00 0.00 H new ATOM 0 HA ASN A 49 5.291 -10.235 -8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.576 -9.247 -10.548 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.327 -10.918 -10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.200 -9.248 -13.148 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.334 -8.314 -12.167 1.00 0.00 H new ATOM 809 N THR A 50 6.864 -8.485 -6.995 1.00 0.00 N ATOM 810 CA THR A 50 7.732 -8.286 -5.858 1.00 0.00 C ATOM 811 C THR A 50 7.107 -8.872 -4.588 1.00 0.00 C ATOM 812 O THR A 50 5.968 -8.558 -4.235 1.00 0.00 O ATOM 813 CB THR A 50 8.033 -6.788 -5.662 1.00 0.00 C ATOM 814 OG1 THR A 50 8.536 -6.235 -6.892 1.00 0.00 O ATOM 815 CG2 THR A 50 9.055 -6.574 -4.553 1.00 0.00 C ATOM 0 H THR A 50 6.107 -7.806 -7.069 1.00 0.00 H new ATOM 0 HA THR A 50 8.669 -8.807 -6.053 1.00 0.00 H new ATOM 0 HB THR A 50 7.108 -6.286 -5.378 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.385 -5.267 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.248 -5.508 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.666 -6.976 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.983 -7.085 -4.810 1.00 0.00 H new ATOM 823 N PRO A 51 7.835 -9.786 -3.929 1.00 0.00 N ATOM 824 CA PRO A 51 7.432 -10.373 -2.644 1.00 0.00 C ATOM 825 C PRO A 51 7.094 -9.322 -1.588 1.00 0.00 C ATOM 826 O PRO A 51 7.743 -8.276 -1.506 1.00 0.00 O ATOM 827 CB PRO A 51 8.662 -11.170 -2.212 1.00 0.00 C ATOM 828 CG PRO A 51 9.371 -11.495 -3.480 1.00 0.00 C ATOM 829 CD PRO A 51 9.106 -10.347 -4.415 1.00 0.00 C ATOM 0 HA PRO A 51 6.526 -10.970 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.295 -10.588 -1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.378 -12.075 -1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.440 -11.618 -3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.006 -12.432 -3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.908 -9.610 -4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.026 -10.683 -5.449 1.00 0.00 H new ATOM 837 N ILE A 52 6.095 -9.631 -0.769 1.00 0.00 N ATOM 838 CA ILE A 52 5.612 -8.718 0.265 1.00 0.00 C ATOM 839 C ILE A 52 6.707 -8.389 1.276 1.00 0.00 C ATOM 840 O ILE A 52 6.850 -7.246 1.702 1.00 0.00 O ATOM 841 CB ILE A 52 4.393 -9.319 1.005 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.206 -9.454 0.046 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.015 -8.473 2.215 1.00 0.00 C ATOM 844 CD1 ILE A 52 1.968 -10.044 0.687 1.00 0.00 C ATOM 0 H ILE A 52 5.596 -10.520 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 52 5.312 -7.797 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 52 4.666 -10.311 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.962 -8.471 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.501 -10.079 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.156 -8.918 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.856 -8.431 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.762 -7.464 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.171 -10.108 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.194 -11.041 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.647 -9.408 1.512 1.00 0.00 H new ATOM 856 N LYS A 53 7.496 -9.393 1.629 1.00 0.00 N ATOM 857 CA LYS A 53 8.530 -9.240 2.645 1.00 0.00 C ATOM 858 C LYS A 53 9.718 -8.425 2.134 1.00 0.00 C ATOM 859 O LYS A 53 10.600 -8.053 2.906 1.00 0.00 O ATOM 860 CB LYS A 53 8.997 -10.614 3.125 1.00 0.00 C ATOM 861 CG LYS A 53 7.911 -11.402 3.844 1.00 0.00 C ATOM 862 CD LYS A 53 7.491 -10.728 5.143 1.00 0.00 C ATOM 863 CE LYS A 53 8.348 -11.164 6.327 1.00 0.00 C ATOM 864 NZ LYS A 53 9.794 -10.862 6.142 1.00 0.00 N ATOM 0 H LYS A 53 7.440 -10.328 1.225 1.00 0.00 H new ATOM 0 HA LYS A 53 8.095 -8.692 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.348 -11.190 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.848 -10.487 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.044 -11.506 3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.272 -12.408 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.560 -9.646 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.446 -10.961 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.991 -10.667 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.224 -12.236 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.275 -10.890 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.218 -11.569 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.900 -9.915 5.725 1.00 0.00 H new ATOM 878 N ARG A 54 9.747 -8.157 0.838 1.00 0.00 N ATOM 879 CA ARG A 54 10.851 -7.411 0.250 1.00 0.00 C ATOM 880 C ARG A 54 10.496 -5.942 0.054 1.00 0.00 C ATOM 881 O ARG A 54 11.343 -5.068 0.194 1.00 0.00 O ATOM 882 CB ARG A 54 11.270 -8.031 -1.082 1.00 0.00 C ATOM 883 CG ARG A 54 12.100 -9.290 -0.920 1.00 0.00 C ATOM 884 CD ARG A 54 12.504 -9.872 -2.263 1.00 0.00 C ATOM 885 NE ARG A 54 13.612 -10.817 -2.128 1.00 0.00 N ATOM 886 CZ ARG A 54 13.611 -12.065 -2.601 1.00 0.00 C ATOM 887 NH1 ARG A 54 12.576 -12.528 -3.293 1.00 0.00 N ATOM 888 NH2 ARG A 54 14.668 -12.841 -2.399 1.00 0.00 N ATOM 0 H ARG A 54 9.025 -8.442 0.176 1.00 0.00 H new ATOM 0 HA ARG A 54 11.688 -7.465 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.378 -8.264 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.840 -7.298 -1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.993 -9.065 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.531 -10.031 -0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.649 -10.375 -2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.792 -9.066 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 54 14.447 -10.499 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.770 -11.928 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.587 -13.484 -3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.473 -12.483 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.675 -13.796 -2.757 1.00 0.00 H new ATOM 902 N MET A 55 9.245 -5.679 -0.270 1.00 0.00 N ATOM 903 CA MET A 55 8.802 -4.313 -0.533 1.00 0.00 C ATOM 904 C MET A 55 8.214 -3.656 0.718 1.00 0.00 C ATOM 905 O MET A 55 7.306 -4.192 1.353 1.00 0.00 O ATOM 906 CB MET A 55 7.780 -4.303 -1.675 1.00 0.00 C ATOM 907 CG MET A 55 6.571 -5.190 -1.426 1.00 0.00 C ATOM 908 SD MET A 55 5.451 -5.249 -2.836 1.00 0.00 S ATOM 909 CE MET A 55 4.174 -6.329 -2.203 1.00 0.00 C ATOM 0 H MET A 55 8.516 -6.386 -0.359 1.00 0.00 H new ATOM 0 HA MET A 55 9.674 -3.730 -0.828 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.441 -3.280 -1.837 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.272 -4.625 -2.593 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.908 -6.200 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.031 -4.824 -0.553 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.272 -6.217 -2.805 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.516 -7.363 -2.250 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.955 -6.066 -1.168 1.00 0.00 H new ATOM 919 N GLN A 56 8.748 -2.494 1.071 1.00 0.00 N ATOM 920 CA GLN A 56 8.239 -1.732 2.200 1.00 0.00 C ATOM 921 C GLN A 56 7.493 -0.502 1.693 1.00 0.00 C ATOM 922 O GLN A 56 7.975 0.204 0.808 1.00 0.00 O ATOM 923 CB GLN A 56 9.380 -1.307 3.126 1.00 0.00 C ATOM 924 CG GLN A 56 8.902 -0.798 4.475 1.00 0.00 C ATOM 925 CD GLN A 56 8.168 -1.863 5.267 1.00 0.00 C ATOM 926 OE1 GLN A 56 6.951 -2.017 5.145 1.00 0.00 O ATOM 927 NE2 GLN A 56 8.903 -2.601 6.084 1.00 0.00 N ATOM 0 H GLN A 56 9.535 -2.059 0.590 1.00 0.00 H new ATOM 0 HA GLN A 56 7.555 -2.363 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.047 -2.155 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.964 -0.527 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.757 -0.445 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.244 0.058 4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.908 -2.439 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.465 -3.332 6.644 1.00 0.00 H new ATOM 936 N LEU A 57 6.324 -0.244 2.260 1.00 0.00 N ATOM 937 CA LEU A 57 5.467 0.832 1.780 1.00 0.00 C ATOM 938 C LEU A 57 5.662 2.097 2.607 1.00 0.00 C ATOM 939 O LEU A 57 5.614 2.057 3.836 1.00 0.00 O ATOM 940 CB LEU A 57 4.000 0.405 1.837 1.00 0.00 C ATOM 941 CG LEU A 57 3.670 -0.923 1.152 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.188 -1.221 1.279 1.00 0.00 C ATOM 943 CD2 LEU A 57 4.082 -0.899 -0.313 1.00 0.00 C ATOM 0 H LEU A 57 5.947 -0.764 3.052 1.00 0.00 H new ATOM 0 HA LEU A 57 5.743 1.045 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.700 0.338 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.394 1.188 1.381 1.00 0.00 H new ATOM 0 HG LEU A 57 4.234 -1.713 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.964 -2.168 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.919 -1.286 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.615 -0.423 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.836 -1.855 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.550 -0.099 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.156 -0.726 -0.386 1.00 0.00 H new ATOM 955 N TYR A 58 5.892 3.210 1.930 1.00 0.00 N ATOM 956 CA TYR A 58 6.013 4.502 2.590 1.00 0.00 C ATOM 957 C TYR A 58 4.913 5.451 2.136 1.00 0.00 C ATOM 958 O TYR A 58 4.770 5.737 0.950 1.00 0.00 O ATOM 959 CB TYR A 58 7.377 5.137 2.311 1.00 0.00 C ATOM 960 CG TYR A 58 8.506 4.559 3.130 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.035 3.308 2.846 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.049 5.277 4.186 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.076 2.789 3.592 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.088 4.764 4.939 1.00 0.00 C ATOM 965 CZ TYR A 58 10.599 3.519 4.638 1.00 0.00 C ATOM 966 OH TYR A 58 11.645 3.006 5.372 1.00 0.00 O ATOM 0 H TYR A 58 5.999 3.245 0.916 1.00 0.00 H new ATOM 0 HA TYR A 58 5.915 4.329 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.612 5.017 1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.314 6.208 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.627 2.731 2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.653 6.253 4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.478 1.815 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.498 5.335 5.759 1.00 0.00 H new ATOM 0 HH TYR A 58 11.898 3.644 6.072 1.00 0.00 H new ATOM 976 N TYR A 59 4.141 5.937 3.087 1.00 0.00 N ATOM 977 CA TYR A 59 3.095 6.901 2.809 1.00 0.00 C ATOM 978 C TYR A 59 3.534 8.285 3.264 1.00 0.00 C ATOM 979 O TYR A 59 3.593 8.560 4.463 1.00 0.00 O ATOM 980 CB TYR A 59 1.791 6.494 3.501 1.00 0.00 C ATOM 981 CG TYR A 59 0.733 7.575 3.490 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.168 8.013 2.298 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.307 8.167 4.673 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.788 9.007 2.287 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.652 9.160 4.667 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.195 9.577 3.473 1.00 0.00 C ATOM 987 OH TYR A 59 -2.145 10.573 3.462 1.00 0.00 O ATOM 0 H TYR A 59 4.220 5.677 4.070 1.00 0.00 H new ATOM 0 HA TYR A 59 2.914 6.925 1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.394 5.604 3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.008 6.221 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.483 7.568 1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.733 7.845 5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.216 9.337 1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.975 9.608 5.595 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.880 10.331 4.064 1.00 0.00 H new ATOM 997 N SER A 60 3.881 9.134 2.300 1.00 0.00 N ATOM 998 CA SER A 60 4.291 10.510 2.583 1.00 0.00 C ATOM 999 C SER A 60 5.552 10.550 3.454 1.00 0.00 C ATOM 1000 O SER A 60 5.833 11.554 4.113 1.00 0.00 O ATOM 1001 CB SER A 60 3.143 11.261 3.267 1.00 0.00 C ATOM 1002 OG SER A 60 1.992 11.287 2.436 1.00 0.00 O ATOM 0 H SER A 60 3.887 8.892 1.309 1.00 0.00 H new ATOM 0 HA SER A 60 4.529 10.998 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.902 10.780 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.455 12.280 3.496 1.00 0.00 H new ATOM 0 HG SER A 60 1.422 10.517 2.643 1.00 0.00 H new ATOM 1008 N GLY A 61 6.317 9.463 3.435 1.00 0.00 N ATOM 1009 CA GLY A 61 7.512 9.378 4.250 1.00 0.00 C ATOM 1010 C GLY A 61 7.325 8.468 5.450 1.00 0.00 C ATOM 1011 O GLY A 61 8.297 7.998 6.041 1.00 0.00 O ATOM 0 H GLY A 61 6.128 8.637 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.339 9.010 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.788 10.375 4.592 1.00 0.00 H new ATOM 1015 N ILE A 62 6.071 8.218 5.804 1.00 0.00 N ATOM 1016 CA ILE A 62 5.743 7.350 6.929 1.00 0.00 C ATOM 1017 C ILE A 62 5.706 5.901 6.471 1.00 0.00 C ATOM 1018 O ILE A 62 4.963 5.559 5.556 1.00 0.00 O ATOM 1019 CB ILE A 62 4.372 7.718 7.534 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.327 9.206 7.883 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.084 6.867 8.763 1.00 0.00 C ATOM 1022 CD1 ILE A 62 2.964 9.685 8.332 1.00 0.00 C ATOM 0 H ILE A 62 5.259 8.607 5.325 1.00 0.00 H new ATOM 0 HA ILE A 62 6.512 7.484 7.690 1.00 0.00 H new ATOM 0 HB ILE A 62 3.600 7.515 6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.051 9.407 8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.637 9.784 7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.113 7.141 9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.075 5.814 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.857 7.036 9.512 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.010 10.749 8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.239 9.517 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.660 9.134 9.222 1.00 0.00 H new ATOM 1034 N GLU A 63 6.496 5.050 7.098 1.00 0.00 N ATOM 1035 CA GLU A 63 6.573 3.664 6.672 1.00 0.00 C ATOM 1036 C GLU A 63 5.435 2.844 7.266 1.00 0.00 C ATOM 1037 O GLU A 63 5.146 2.916 8.467 1.00 0.00 O ATOM 1038 CB GLU A 63 7.928 3.031 7.025 1.00 0.00 C ATOM 1039 CG GLU A 63 8.218 2.924 8.513 1.00 0.00 C ATOM 1040 CD GLU A 63 8.598 4.249 9.139 1.00 0.00 C ATOM 1041 OE1 GLU A 63 7.697 4.976 9.597 1.00 0.00 O ATOM 1042 OE2 GLU A 63 9.802 4.567 9.175 1.00 0.00 O ATOM 0 H GLU A 63 7.087 5.289 7.894 1.00 0.00 H new ATOM 0 HA GLU A 63 6.476 3.659 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.970 2.033 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.719 3.617 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.339 2.527 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.026 2.210 8.669 1.00 0.00 H new ATOM 1049 N LEU A 64 4.790 2.070 6.416 1.00 0.00 N ATOM 1050 CA LEU A 64 3.710 1.200 6.838 1.00 0.00 C ATOM 1051 C LEU A 64 4.301 -0.128 7.287 1.00 0.00 C ATOM 1052 O LEU A 64 4.287 -1.118 6.550 1.00 0.00 O ATOM 1053 CB LEU A 64 2.713 0.995 5.692 1.00 0.00 C ATOM 1054 CG LEU A 64 2.283 2.276 4.971 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.331 1.951 3.835 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.642 3.255 5.942 1.00 0.00 C ATOM 0 H LEU A 64 4.998 2.026 5.418 1.00 0.00 H new ATOM 0 HA LEU A 64 3.170 1.654 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.155 0.317 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.824 0.503 6.087 1.00 0.00 H new ATOM 0 HG LEU A 64 3.173 2.747 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.035 2.872 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.827 1.293 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.446 1.454 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.345 4.157 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.763 2.796 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.358 3.515 6.722 1.00 0.00 H new ATOM 1068 N ALA A 65 4.865 -0.124 8.485 1.00 0.00 N ATOM 1069 CA ALA A 65 5.622 -1.264 8.979 1.00 0.00 C ATOM 1070 C ALA A 65 4.758 -2.211 9.798 1.00 0.00 C ATOM 1071 O ALA A 65 5.159 -3.341 10.077 1.00 0.00 O ATOM 1072 CB ALA A 65 6.805 -0.784 9.800 1.00 0.00 C ATOM 0 H ALA A 65 4.812 0.660 9.136 1.00 0.00 H new ATOM 0 HA ALA A 65 5.983 -1.822 8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.366 -1.644 10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.452 -0.166 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.447 -0.198 10.646 1.00 0.00 H new ATOM 1078 N ASP A 66 3.578 -1.754 10.189 1.00 0.00 N ATOM 1079 CA ASP A 66 2.679 -2.580 10.980 1.00 0.00 C ATOM 1080 C ASP A 66 1.582 -3.156 10.100 1.00 0.00 C ATOM 1081 O ASP A 66 0.506 -2.576 9.959 1.00 0.00 O ATOM 1082 CB ASP A 66 2.074 -1.794 12.144 1.00 0.00 C ATOM 1083 CG ASP A 66 3.108 -1.380 13.175 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.617 -2.257 13.904 1.00 0.00 O ATOM 1085 OD2 ASP A 66 3.410 -0.174 13.269 1.00 0.00 O ATOM 0 H ASP A 66 3.223 -0.823 9.973 1.00 0.00 H new ATOM 0 HA ASP A 66 3.261 -3.399 11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.578 -0.904 11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.309 -2.401 12.627 1.00 0.00 H new ATOM 1090 N ASP A 67 1.881 -4.306 9.507 1.00 0.00 N ATOM 1091 CA ASP A 67 0.984 -4.986 8.569 1.00 0.00 C ATOM 1092 C ASP A 67 -0.398 -5.260 9.161 1.00 0.00 C ATOM 1093 O ASP A 67 -1.386 -5.354 8.430 1.00 0.00 O ATOM 1094 CB ASP A 67 1.611 -6.308 8.121 1.00 0.00 C ATOM 1095 CG ASP A 67 2.587 -6.145 6.971 1.00 0.00 C ATOM 1096 OD1 ASP A 67 3.608 -5.446 7.136 1.00 0.00 O ATOM 1097 OD2 ASP A 67 2.345 -6.735 5.899 1.00 0.00 O ATOM 0 H ASP A 67 2.760 -4.800 9.663 1.00 0.00 H new ATOM 0 HA ASP A 67 0.848 -4.317 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.128 -6.763 8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.820 -6.996 7.823 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.464 -5.373 10.480 1.00 0.00 N ATOM 1103 CA TYR A 68 -1.702 -5.732 11.164 1.00 0.00 C ATOM 1104 C TYR A 68 -2.608 -4.519 11.392 1.00 0.00 C ATOM 1105 O TYR A 68 -3.656 -4.636 12.027 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.390 -6.421 12.498 1.00 0.00 C ATOM 1107 CG TYR A 68 -0.439 -5.643 13.381 1.00 0.00 C ATOM 1108 CD1 TYR A 68 0.936 -5.749 13.210 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -0.913 -4.801 14.380 1.00 0.00 C ATOM 1110 CE1 TYR A 68 1.809 -5.040 14.006 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -0.043 -4.084 15.180 1.00 0.00 C ATOM 1112 CZ TYR A 68 1.317 -4.209 14.990 1.00 0.00 C ATOM 1113 OH TYR A 68 2.189 -3.493 15.775 1.00 0.00 O ATOM 0 H TYR A 68 0.329 -5.221 11.103 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.242 -6.424 10.518 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.322 -6.583 13.039 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.963 -7.403 12.297 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.327 -6.398 12.440 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.978 -4.705 14.534 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.875 -5.135 13.860 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.426 -3.430 15.949 1.00 0.00 H new ATOM 0 HH TYR A 68 2.741 -2.915 15.208 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.211 -3.360 10.883 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.047 -2.167 10.982 1.00 0.00 C ATOM 1125 C ARG A 69 -3.748 -1.911 9.655 1.00 0.00 C ATOM 1126 O ARG A 69 -3.451 -2.561 8.656 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.227 -0.934 11.363 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.440 -1.088 12.651 1.00 0.00 C ATOM 1129 CD ARG A 69 -0.853 0.239 13.102 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.870 1.128 13.667 1.00 0.00 N ATOM 1131 CZ ARG A 69 -1.590 2.231 14.364 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -0.331 2.632 14.499 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -2.570 2.953 14.896 1.00 0.00 N ATOM 0 H ARG A 69 -1.323 -3.219 10.401 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.783 -2.346 11.766 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.535 -0.706 10.552 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.898 -0.080 11.459 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.090 -1.485 13.431 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.638 -1.812 12.505 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.077 0.058 13.846 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.374 0.729 12.255 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.851 0.890 13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.424 2.097 14.070 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.119 3.475 15.032 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.541 2.665 14.772 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.352 3.795 15.428 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.670 -0.963 9.645 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.365 -0.593 8.419 1.00 0.00 C ATOM 1149 C ASN A 70 -4.882 0.767 7.936 1.00 0.00 C ATOM 1150 O ASN A 70 -4.260 1.515 8.694 1.00 0.00 O ATOM 1151 CB ASN A 70 -6.881 -0.557 8.633 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.474 -1.903 9.003 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -6.962 -2.953 8.621 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.567 -1.879 9.749 1.00 0.00 N ATOM 0 H ASN A 70 -4.956 -0.435 10.470 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.143 -1.347 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.111 0.161 9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.360 -0.196 7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.014 -2.753 10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.962 -0.987 10.046 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.177 1.091 6.684 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.734 2.349 6.086 1.00 0.00 C ATOM 1163 C LEU A 71 -5.318 3.555 6.814 1.00 0.00 C ATOM 1164 O LEU A 71 -4.664 4.592 6.937 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.116 2.402 4.606 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.569 1.258 3.753 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.918 1.475 2.294 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.065 1.125 3.935 1.00 0.00 C ATOM 0 H LEU A 71 -5.723 0.499 6.058 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.649 2.390 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.203 2.405 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.764 3.346 4.189 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.032 0.328 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.522 0.652 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.001 1.516 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.482 2.413 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.695 0.305 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.579 2.053 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.842 0.922 4.982 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.543 3.411 7.308 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.213 4.486 8.037 1.00 0.00 C ATOM 1182 C ASN A 72 -6.415 4.901 9.272 1.00 0.00 C ATOM 1183 O ASN A 72 -6.489 6.047 9.707 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.644 4.086 8.425 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.713 2.839 9.291 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -8.799 1.725 8.781 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -8.688 3.015 10.604 1.00 0.00 N ATOM 0 H ASN A 72 -7.095 2.558 7.217 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.271 5.346 7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.112 4.914 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.225 3.921 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.741 2.210 11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.616 3.956 10.991 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.646 3.967 9.821 1.00 0.00 N ATOM 1195 CA GLU A 73 -4.818 4.242 10.993 1.00 0.00 C ATOM 1196 C GLU A 73 -3.689 5.213 10.670 1.00 0.00 C ATOM 1197 O GLU A 73 -3.211 5.936 11.544 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.234 2.944 11.542 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.263 2.056 12.215 1.00 0.00 C ATOM 1200 CD GLU A 73 -5.884 2.718 13.424 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -5.263 2.682 14.508 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -6.996 3.270 13.301 1.00 0.00 O ATOM 0 H GLU A 73 -5.578 3.010 9.473 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.458 4.704 11.745 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.766 2.392 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.447 3.183 12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.045 1.802 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.792 1.121 12.517 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.267 5.224 9.414 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.181 6.089 8.984 1.00 0.00 C ATOM 1211 C TYR A 74 -2.727 7.366 8.358 1.00 0.00 C ATOM 1212 O TYR A 74 -1.975 8.295 8.065 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.279 5.361 7.989 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.534 4.188 8.589 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.632 4.383 9.318 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -0.991 2.886 8.424 1.00 0.00 C ATOM 1217 CE1 TYR A 74 1.321 3.317 9.864 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.310 1.815 8.967 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.846 2.034 9.686 1.00 0.00 C ATOM 1220 OH TYR A 74 1.528 0.971 10.231 1.00 0.00 O ATOM 0 H TYR A 74 -3.662 4.642 8.675 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.592 6.356 9.861 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.885 5.007 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.557 6.069 7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.007 5.386 9.461 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.895 2.709 7.861 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.227 3.487 10.427 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.681 0.810 8.829 1.00 0.00 H new ATOM 0 HH TYR A 74 1.986 1.260 11.047 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.040 7.410 8.167 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.667 8.579 7.582 1.00 0.00 C ATOM 1232 C GLY A 75 -4.567 8.583 6.073 1.00 0.00 C ATOM 1233 O GLY A 75 -4.437 9.638 5.453 1.00 0.00 O ATOM 0 H GLY A 75 -4.682 6.655 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.716 8.612 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.197 9.479 7.978 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.623 7.397 5.483 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.518 7.259 4.041 1.00 0.00 C ATOM 1239 C ILE A 76 -5.886 7.425 3.388 1.00 0.00 C ATOM 1240 O ILE A 76 -6.872 6.832 3.831 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.902 5.896 3.659 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.490 5.787 4.242 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.880 5.713 2.148 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.755 4.528 3.843 1.00 0.00 C ATOM 0 H ILE A 76 -4.741 6.516 5.984 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.858 8.045 3.674 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.519 5.101 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.908 6.652 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.553 5.830 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.441 4.745 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.898 5.757 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.285 6.505 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.764 4.526 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.313 3.657 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.658 4.492 2.758 1.00 0.00 H new ATOM 1256 N THR A 77 -5.935 8.242 2.345 1.00 0.00 N ATOM 1257 CA THR A 77 -7.178 8.540 1.660 1.00 0.00 C ATOM 1258 C THR A 77 -7.007 8.353 0.148 1.00 0.00 C ATOM 1259 O THR A 77 -6.002 7.805 -0.306 1.00 0.00 O ATOM 1260 CB THR A 77 -7.647 9.980 1.982 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.948 10.220 1.430 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.664 11.013 1.445 1.00 0.00 C ATOM 0 H THR A 77 -5.118 8.712 1.955 1.00 0.00 H new ATOM 0 HA THR A 77 -7.943 7.848 2.012 1.00 0.00 H new ATOM 0 HB THR A 77 -7.693 10.077 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.495 9.411 1.518 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.020 12.014 1.686 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.686 10.856 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.581 10.908 0.363 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.984 8.800 -0.624 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.959 8.633 -2.068 1.00 0.00 C ATOM 1272 C GLU A 78 -6.870 9.494 -2.701 1.00 0.00 C ATOM 1273 O GLU A 78 -6.632 10.625 -2.271 1.00 0.00 O ATOM 1274 CB GLU A 78 -9.320 8.999 -2.663 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.410 8.790 -4.164 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.752 9.210 -4.715 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.934 10.416 -4.986 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -11.631 8.342 -4.876 1.00 0.00 O ATOM 0 H GLU A 78 -8.810 9.284 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.739 7.587 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.091 8.402 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.535 10.043 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.622 9.359 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.236 7.739 -4.395 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.209 8.927 -3.708 1.00 0.00 N ATOM 1286 CA PHE A 79 -5.202 9.623 -4.505 1.00 0.00 C ATOM 1287 C PHE A 79 -3.916 9.814 -3.708 1.00 0.00 C ATOM 1288 O PHE A 79 -3.085 10.662 -4.033 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.737 10.968 -5.011 1.00 0.00 C ATOM 1290 CG PHE A 79 -5.097 11.428 -6.290 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -5.428 10.824 -7.491 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -4.170 12.459 -6.294 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -4.848 11.240 -8.673 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -3.586 12.878 -7.475 1.00 0.00 C ATOM 1295 CZ PHE A 79 -3.928 12.268 -8.666 1.00 0.00 C ATOM 0 H PHE A 79 -6.360 7.960 -3.997 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.973 9.005 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.814 10.888 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.578 11.725 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.148 10.019 -7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.901 12.940 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.115 10.760 -9.603 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.864 13.681 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.476 12.595 -9.591 1.00 0.00 H new ATOM 1305 N SER A 80 -3.750 9.009 -2.670 1.00 0.00 N ATOM 1306 CA SER A 80 -2.537 9.033 -1.876 1.00 0.00 C ATOM 1307 C SER A 80 -1.410 8.334 -2.613 1.00 0.00 C ATOM 1308 O SER A 80 -1.596 7.248 -3.167 1.00 0.00 O ATOM 1309 CB SER A 80 -2.777 8.358 -0.530 1.00 0.00 C ATOM 1310 OG SER A 80 -3.245 7.032 -0.708 1.00 0.00 O ATOM 0 H SER A 80 -4.444 8.330 -2.359 1.00 0.00 H new ATOM 0 HA SER A 80 -2.253 10.072 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.852 8.348 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.505 8.931 0.045 1.00 0.00 H new ATOM 0 HG SER A 80 -4.220 7.014 -0.614 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.248 8.955 -2.616 1.00 0.00 N ATOM 1317 CA GLU A 81 0.907 8.382 -3.268 1.00 0.00 C ATOM 1318 C GLU A 81 1.709 7.538 -2.290 1.00 0.00 C ATOM 1319 O GLU A 81 2.145 8.021 -1.245 1.00 0.00 O ATOM 1320 CB GLU A 81 1.780 9.477 -3.863 1.00 0.00 C ATOM 1321 CG GLU A 81 1.110 10.243 -4.989 1.00 0.00 C ATOM 1322 CD GLU A 81 2.063 11.186 -5.688 1.00 0.00 C ATOM 1323 OE1 GLU A 81 2.564 12.125 -5.038 1.00 0.00 O ATOM 1324 OE2 GLU A 81 2.349 10.968 -6.885 1.00 0.00 O ATOM 0 H GLU A 81 -0.081 9.858 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 81 0.560 7.738 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.059 10.176 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.703 9.032 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.704 9.538 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.269 10.810 -4.590 1.00 0.00 H new ATOM 1331 N ILE A 82 1.888 6.275 -2.633 1.00 0.00 N ATOM 1332 CA ILE A 82 2.639 5.348 -1.808 1.00 0.00 C ATOM 1333 C ILE A 82 3.993 5.070 -2.446 1.00 0.00 C ATOM 1334 O ILE A 82 4.071 4.581 -3.572 1.00 0.00 O ATOM 1335 CB ILE A 82 1.886 4.010 -1.627 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.457 4.250 -1.127 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.640 3.093 -0.670 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.378 5.002 0.186 1.00 0.00 C ATOM 0 H ILE A 82 1.517 5.864 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 82 2.769 5.808 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 82 1.829 3.521 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.093 4.807 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.043 3.288 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.093 2.157 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.633 2.887 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.734 3.579 0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.667 5.130 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.897 4.438 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.846 5.980 0.074 1.00 0.00 H new ATOM 1350 N VAL A 83 5.051 5.395 -1.732 1.00 0.00 N ATOM 1351 CA VAL A 83 6.401 5.171 -2.222 1.00 0.00 C ATOM 1352 C VAL A 83 6.910 3.825 -1.727 1.00 0.00 C ATOM 1353 O VAL A 83 6.940 3.571 -0.524 1.00 0.00 O ATOM 1354 CB VAL A 83 7.362 6.285 -1.759 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.748 6.079 -2.352 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.813 7.656 -2.135 1.00 0.00 C ATOM 0 H VAL A 83 5.004 5.818 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 83 6.368 5.180 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 83 7.446 6.236 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.411 6.875 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.143 5.116 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.685 6.098 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.505 8.429 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.697 7.717 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.845 7.804 -1.657 1.00 0.00 H new ATOM 1366 N VAL A 84 7.290 2.955 -2.646 1.00 0.00 N ATOM 1367 CA VAL A 84 7.730 1.626 -2.271 1.00 0.00 C ATOM 1368 C VAL A 84 9.251 1.523 -2.274 1.00 0.00 C ATOM 1369 O VAL A 84 9.892 1.595 -3.326 1.00 0.00 O ATOM 1370 CB VAL A 84 7.137 0.548 -3.201 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.530 -0.841 -2.722 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.623 0.684 -3.276 1.00 0.00 C ATOM 0 H VAL A 84 7.302 3.144 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 84 7.367 1.450 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 84 7.543 0.692 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.104 -1.590 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.616 -0.932 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.152 -0.998 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.221 -0.084 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.197 0.565 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.365 1.669 -3.666 1.00 0.00 H new ATOM 1382 N PHE A 85 9.817 1.379 -1.086 1.00 0.00 N ATOM 1383 CA PHE A 85 11.241 1.136 -0.935 1.00 0.00 C ATOM 1384 C PHE A 85 11.485 -0.357 -0.780 1.00 0.00 C ATOM 1385 O PHE A 85 10.856 -1.010 0.055 1.00 0.00 O ATOM 1386 CB PHE A 85 11.798 1.880 0.284 1.00 0.00 C ATOM 1387 CG PHE A 85 11.966 3.363 0.084 1.00 0.00 C ATOM 1388 CD1 PHE A 85 10.901 4.229 0.264 1.00 0.00 C ATOM 1389 CD2 PHE A 85 13.198 3.891 -0.273 1.00 0.00 C ATOM 1390 CE1 PHE A 85 11.058 5.592 0.090 1.00 0.00 C ATOM 1391 CE2 PHE A 85 13.362 5.253 -0.447 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.290 6.105 -0.266 1.00 0.00 C ATOM 0 H PHE A 85 9.305 1.427 -0.205 1.00 0.00 H new ATOM 0 HA PHE A 85 11.753 1.505 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.133 1.713 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.764 1.449 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.935 3.835 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.040 3.230 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.217 6.255 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.327 5.650 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.415 7.169 -0.402 1.00 0.00 H new ATOM 1402 N LEU A 86 12.382 -0.903 -1.578 1.00 0.00 N ATOM 1403 CA LEU A 86 12.649 -2.328 -1.527 1.00 0.00 C ATOM 1404 C LEU A 86 13.760 -2.618 -0.535 1.00 0.00 C ATOM 1405 O LEU A 86 14.831 -2.013 -0.586 1.00 0.00 O ATOM 1406 CB LEU A 86 13.006 -2.874 -2.912 1.00 0.00 C ATOM 1407 CG LEU A 86 11.914 -2.707 -3.972 1.00 0.00 C ATOM 1408 CD1 LEU A 86 12.253 -3.504 -5.220 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.565 -3.136 -3.423 1.00 0.00 C ATOM 0 H LEU A 86 12.934 -0.388 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 86 11.742 -2.833 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.910 -2.375 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.242 -3.934 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 86 11.859 -1.652 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.465 -3.372 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.200 -3.152 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.338 -4.560 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.803 -3.010 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.610 -4.184 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.313 -2.523 -2.558 1.00 0.00 H new ATOM 1421 N LYS A 87 13.488 -3.528 0.380 1.00 0.00 N ATOM 1422 CA LYS A 87 14.446 -3.892 1.402 1.00 0.00 C ATOM 1423 C LYS A 87 15.159 -5.171 1.020 1.00 0.00 C ATOM 1424 O LYS A 87 14.649 -6.273 1.231 1.00 0.00 O ATOM 1425 CB LYS A 87 13.755 -4.045 2.760 1.00 0.00 C ATOM 1426 CG LYS A 87 13.095 -2.762 3.231 1.00 0.00 C ATOM 1427 CD LYS A 87 14.095 -1.624 3.250 1.00 0.00 C ATOM 1428 CE LYS A 87 13.424 -0.278 3.443 1.00 0.00 C ATOM 1429 NZ LYS A 87 14.392 0.829 3.264 1.00 0.00 N ATOM 0 H LYS A 87 12.603 -4.032 0.435 1.00 0.00 H new ATOM 0 HA LYS A 87 15.184 -3.094 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.004 -4.832 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.487 -4.365 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.263 -2.512 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.680 -2.905 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.815 -1.788 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.655 -1.619 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.607 -0.170 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.987 -0.225 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.908 1.739 3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.158 0.736 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.790 0.790 2.304 1.00 0.00 H new