USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 625 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 29 HIS : no HD1:sc= -0.872 K(o=-1.6,f=2.3) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 15:sc= 0.635 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 17:sc= 0.935 USER MOD Single : A 36 ASN : amide:sc= -0.0757 X(o=-0.076,f=-0.056) USER MOD Single : A 37 SER OG : rot 160:sc= -0.988 USER MOD Single : A 38 ASN : amide:sc= -5.46! C(o=-5.5!,f=-8.6!) USER MOD Single : A 43 LYS NZ :NH3+ -145:sc= 0.376 (180deg=-1.18!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.67) USER MOD Single : A 47 SER OG : rot -69:sc= 0.201 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.89! K(o=-3.9!,f=-3.3) USER MOD Single : A 52 CYS SG : rot 53:sc= -0.789 USER MOD Single : A 53 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot -52:sc= 0.666 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.18! C(o=-1.2!,f=-1.8!) USER MOD Single : A 81 SER OG : rot 57:sc= 0.5 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 84 HIS : no HD1:sc= -0.931 K(o=-0.93,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 175 N ARG A 16 0.606 5.618 15.119 1.00 0.00 N ATOM 176 CA ARG A 16 1.637 6.545 14.684 1.00 0.00 C ATOM 177 C ARG A 16 1.897 6.384 13.185 1.00 0.00 C ATOM 178 O ARG A 16 2.138 5.276 12.708 1.00 0.00 O ATOM 179 CB ARG A 16 2.943 6.315 15.448 1.00 0.00 C ATOM 180 CG ARG A 16 3.624 7.644 15.783 1.00 0.00 C ATOM 181 CD ARG A 16 4.859 7.862 14.907 1.00 0.00 C ATOM 182 NE ARG A 16 6.045 8.109 15.758 1.00 0.00 N ATOM 183 CZ ARG A 16 7.308 8.083 15.312 1.00 0.00 C ATOM 184 NH1 ARG A 16 7.558 7.820 14.022 1.00 0.00 N ATOM 185 NH2 ARG A 16 8.322 8.319 16.156 1.00 0.00 N ATOM 0 HA ARG A 16 1.282 7.555 14.889 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.739 5.765 16.367 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.615 5.699 14.850 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.921 8.464 15.637 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.913 7.654 16.834 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.028 6.988 14.278 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.697 8.708 14.240 1.00 0.00 H new ATOM 0 HE ARG A 16 5.891 8.312 16.746 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.787 7.640 13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.520 7.800 13.683 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.132 8.518 17.138 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.284 8.299 15.816 1.00 0.00 H new ATOM 199 N ILE A 17 1.840 7.506 12.483 1.00 0.00 N ATOM 200 CA ILE A 17 2.066 7.504 11.048 1.00 0.00 C ATOM 201 C ILE A 17 3.571 7.496 10.773 1.00 0.00 C ATOM 202 O ILE A 17 4.365 7.867 11.636 1.00 0.00 O ATOM 203 CB ILE A 17 1.326 8.669 10.387 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.108 8.775 10.908 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.375 8.555 8.862 1.00 0.00 C ATOM 206 CD1 ILE A 17 -0.959 7.604 10.412 1.00 0.00 C ATOM 0 H ILE A 17 1.640 8.423 12.882 1.00 0.00 H new ATOM 0 HA ILE A 17 1.655 6.600 10.599 1.00 0.00 H new ATOM 0 HB ILE A 17 1.835 9.594 10.657 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.103 8.789 11.998 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.550 9.716 10.579 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.842 9.395 8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.413 8.567 8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.905 7.622 8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.974 7.703 10.797 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.982 7.607 9.322 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.528 6.667 10.763 1.00 0.00 H new ATOM 218 N ILE A 18 3.918 7.068 9.568 1.00 0.00 N ATOM 219 CA ILE A 18 5.314 7.007 9.169 1.00 0.00 C ATOM 220 C ILE A 18 5.439 7.424 7.702 1.00 0.00 C ATOM 221 O ILE A 18 4.465 7.371 6.952 1.00 0.00 O ATOM 222 CB ILE A 18 5.896 5.623 9.466 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.965 4.518 8.964 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.216 5.472 10.955 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.739 3.223 8.710 1.00 0.00 C ATOM 0 H ILE A 18 3.257 6.760 8.855 1.00 0.00 H new ATOM 0 HA ILE A 18 5.908 7.710 9.753 1.00 0.00 H new ATOM 0 HB ILE A 18 6.836 5.523 8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.179 4.338 9.698 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.475 4.840 8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.628 4.480 11.140 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.944 6.228 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.304 5.600 11.538 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.054 2.454 8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.508 3.400 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.207 2.891 9.637 1.00 0.00 H new ATOM 237 N ARG A 19 6.646 7.830 7.337 1.00 0.00 N ATOM 238 CA ARG A 19 6.911 8.256 5.973 1.00 0.00 C ATOM 239 C ARG A 19 7.473 7.093 5.153 1.00 0.00 C ATOM 240 O ARG A 19 8.648 6.752 5.278 1.00 0.00 O ATOM 241 CB ARG A 19 7.905 9.419 5.943 1.00 0.00 C ATOM 242 CG ARG A 19 8.208 9.845 4.505 1.00 0.00 C ATOM 243 CD ARG A 19 9.075 11.105 4.477 1.00 0.00 C ATOM 244 NE ARG A 19 10.507 10.734 4.454 1.00 0.00 N ATOM 245 CZ ARG A 19 11.237 10.484 5.550 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.673 10.564 6.762 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.530 10.154 5.433 1.00 0.00 N ATOM 0 H ARG A 19 7.451 7.873 7.962 1.00 0.00 H new ATOM 0 HA ARG A 19 5.967 8.588 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.498 10.264 6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.829 9.125 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.719 9.036 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.275 10.029 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.832 11.704 3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.864 11.721 5.351 1.00 0.00 H new ATOM 0 HE ARG A 19 10.968 10.664 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.688 10.815 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.228 10.374 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.959 10.093 4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.085 9.964 6.267 1.00 0.00 H new ATOM 261 N VAL A 20 6.608 6.517 4.332 1.00 0.00 N ATOM 262 CA VAL A 20 7.003 5.399 3.492 1.00 0.00 C ATOM 263 C VAL A 20 7.171 5.885 2.051 1.00 0.00 C ATOM 264 O VAL A 20 6.210 6.333 1.427 1.00 0.00 O ATOM 265 CB VAL A 20 5.989 4.261 3.625 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.363 3.086 2.719 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.858 3.811 5.081 1.00 0.00 C ATOM 0 H VAL A 20 5.634 6.804 4.230 1.00 0.00 H new ATOM 0 HA VAL A 20 7.964 4.999 3.815 1.00 0.00 H new ATOM 0 HB VAL A 20 5.018 4.637 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.627 2.290 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.381 3.418 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.348 2.711 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.131 3.001 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.825 3.461 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.524 4.649 5.692 1.00 0.00 H new ATOM 277 N SER A 21 8.399 5.780 1.565 1.00 0.00 N ATOM 278 CA SER A 21 8.706 6.203 0.209 1.00 0.00 C ATOM 279 C SER A 21 8.174 5.175 -0.793 1.00 0.00 C ATOM 280 O SER A 21 8.683 4.058 -0.871 1.00 0.00 O ATOM 281 CB SER A 21 10.211 6.398 0.020 1.00 0.00 C ATOM 282 OG SER A 21 10.660 7.639 0.557 1.00 0.00 O ATOM 0 H SER A 21 9.193 5.408 2.086 1.00 0.00 H new ATOM 0 HA SER A 21 8.218 7.161 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.746 5.580 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.452 6.354 -1.042 1.00 0.00 H new ATOM 0 HG SER A 21 11.626 7.725 0.418 1.00 0.00 H new ATOM 288 N VAL A 22 7.156 5.590 -1.533 1.00 0.00 N ATOM 289 CA VAL A 22 6.550 4.719 -2.526 1.00 0.00 C ATOM 290 C VAL A 22 7.251 4.921 -3.871 1.00 0.00 C ATOM 291 O VAL A 22 7.299 6.035 -4.389 1.00 0.00 O ATOM 292 CB VAL A 22 5.043 4.973 -2.594 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.432 4.316 -3.834 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.348 4.491 -1.319 1.00 0.00 C ATOM 0 H VAL A 22 6.736 6.517 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 22 6.678 3.673 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 22 4.887 6.049 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.360 4.512 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.897 4.728 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.604 3.240 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.278 4.683 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.517 3.421 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.754 5.025 -0.459 1.00 0.00 H new ATOM 304 N LYS A 23 7.778 3.825 -4.398 1.00 0.00 N ATOM 305 CA LYS A 23 8.475 3.868 -5.672 1.00 0.00 C ATOM 306 C LYS A 23 7.552 3.337 -6.771 1.00 0.00 C ATOM 307 O LYS A 23 7.145 2.177 -6.738 1.00 0.00 O ATOM 308 CB LYS A 23 9.809 3.125 -5.579 1.00 0.00 C ATOM 309 CG LYS A 23 10.909 3.877 -6.331 1.00 0.00 C ATOM 310 CD LYS A 23 11.514 4.979 -5.459 1.00 0.00 C ATOM 311 CE LYS A 23 12.870 4.550 -4.895 1.00 0.00 C ATOM 312 NZ LYS A 23 13.526 5.683 -4.204 1.00 0.00 N ATOM 0 H LYS A 23 7.736 2.902 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 23 8.726 4.896 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.093 3.009 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.701 2.122 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.689 3.179 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.499 4.313 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.632 5.889 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.834 5.215 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.736 3.721 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.508 4.189 -5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.445 5.375 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.672 6.463 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.923 6.009 -3.422 1.00 0.00 H new ATOM 326 N THR A 24 7.248 4.213 -7.718 1.00 0.00 N ATOM 327 CA THR A 24 6.380 3.847 -8.825 1.00 0.00 C ATOM 328 C THR A 24 7.187 3.736 -10.120 1.00 0.00 C ATOM 329 O THR A 24 8.274 4.301 -10.229 1.00 0.00 O ATOM 330 CB THR A 24 5.250 4.876 -8.899 1.00 0.00 C ATOM 331 OG1 THR A 24 5.925 6.126 -9.005 1.00 0.00 O ATOM 332 CG2 THR A 24 4.469 4.983 -7.587 1.00 0.00 C ATOM 0 H THR A 24 7.587 5.175 -7.742 1.00 0.00 H new ATOM 0 HA THR A 24 5.934 2.864 -8.671 1.00 0.00 H new ATOM 0 HB THR A 24 4.568 4.609 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.866 5.972 -9.233 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.679 5.727 -7.693 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.027 4.016 -7.347 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.144 5.283 -6.785 1.00 0.00 H new ATOM 340 N PRO A 25 6.607 2.985 -11.095 1.00 0.00 N ATOM 341 CA PRO A 25 7.260 2.792 -12.379 1.00 0.00 C ATOM 342 C PRO A 25 7.157 4.052 -13.240 1.00 0.00 C ATOM 343 O PRO A 25 6.556 4.028 -14.313 1.00 0.00 O ATOM 344 CB PRO A 25 6.564 1.591 -12.997 1.00 0.00 C ATOM 345 CG PRO A 25 5.247 1.443 -12.253 1.00 0.00 C ATOM 346 CD PRO A 25 5.321 2.302 -11.001 1.00 0.00 C ATOM 0 HA PRO A 25 8.330 2.610 -12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.395 1.743 -14.063 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.173 0.692 -12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.415 1.757 -12.883 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.072 0.400 -11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.497 3.014 -10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.261 1.693 -10.099 1.00 0.00 H new ATOM 354 N GLN A 26 7.754 5.124 -12.739 1.00 0.00 N ATOM 355 CA GLN A 26 7.737 6.391 -13.450 1.00 0.00 C ATOM 356 C GLN A 26 8.333 7.497 -12.577 1.00 0.00 C ATOM 357 O GLN A 26 9.357 8.084 -12.924 1.00 0.00 O ATOM 358 CB GLN A 26 6.318 6.750 -13.897 1.00 0.00 C ATOM 359 CG GLN A 26 6.270 7.022 -15.402 1.00 0.00 C ATOM 360 CD GLN A 26 4.997 7.782 -15.781 1.00 0.00 C ATOM 361 OE1 GLN A 26 5.026 8.939 -16.166 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.883 7.068 -15.652 1.00 0.00 N ATOM 0 H GLN A 26 8.252 5.141 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 26 8.350 6.291 -14.346 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.638 5.935 -13.649 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.973 7.630 -13.354 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.145 7.600 -15.699 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.311 6.079 -15.947 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.931 6.103 -15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.981 7.485 -15.881 1.00 0.00 H new ATOM 371 N ASP A 27 7.666 7.749 -11.460 1.00 0.00 N ATOM 372 CA ASP A 27 8.118 8.775 -10.534 1.00 0.00 C ATOM 373 C ASP A 27 8.239 8.173 -9.133 1.00 0.00 C ATOM 374 O ASP A 27 8.170 6.956 -8.968 1.00 0.00 O ATOM 375 CB ASP A 27 7.120 9.933 -10.466 1.00 0.00 C ATOM 376 CG ASP A 27 7.748 11.328 -10.465 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.950 11.409 -10.799 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.012 12.281 -10.131 1.00 0.00 O ATOM 0 H ASP A 27 6.817 7.261 -11.175 1.00 0.00 H new ATOM 0 HA ASP A 27 9.080 9.148 -10.886 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.440 9.857 -11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.518 9.821 -9.564 1.00 0.00 H new ATOM 383 N CYS A 28 8.419 9.053 -8.159 1.00 0.00 N ATOM 384 CA CYS A 28 8.552 8.624 -6.777 1.00 0.00 C ATOM 385 C CYS A 28 7.556 9.419 -5.930 1.00 0.00 C ATOM 386 O CYS A 28 7.467 10.640 -6.053 1.00 0.00 O ATOM 387 CB CYS A 28 9.987 8.782 -6.270 1.00 0.00 C ATOM 388 SG CYS A 28 10.337 10.545 -5.923 1.00 0.00 S ATOM 0 H CYS A 28 8.476 10.062 -8.300 1.00 0.00 H new ATOM 0 HA CYS A 28 8.326 7.561 -6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.130 8.190 -5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.688 8.403 -7.014 1.00 0.00 H new ATOM 0 HG CYS A 28 9.218 11.201 -5.839 1.00 0.00 H new ATOM 394 N HIS A 29 6.833 8.694 -5.089 1.00 0.00 N ATOM 395 CA HIS A 29 5.847 9.317 -4.221 1.00 0.00 C ATOM 396 C HIS A 29 6.087 8.879 -2.775 1.00 0.00 C ATOM 397 O HIS A 29 6.754 7.875 -2.529 1.00 0.00 O ATOM 398 CB HIS A 29 4.428 9.012 -4.705 1.00 0.00 C ATOM 399 CG HIS A 29 3.510 10.211 -4.711 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.516 11.155 -5.723 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.558 10.609 -3.819 1.00 0.00 C ATOM 402 CE1 HIS A 29 2.606 12.076 -5.441 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.013 11.735 -4.261 1.00 0.00 N ATOM 0 H HIS A 29 6.910 7.682 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 29 5.957 10.401 -4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.479 8.602 -5.714 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.996 8.240 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.293 10.095 -2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.375 12.944 -6.040 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.272 12.259 -3.795 1.00 0.00 H new ATOM 411 N GLU A 30 5.531 9.655 -1.856 1.00 0.00 N ATOM 412 CA GLU A 30 5.676 9.360 -0.441 1.00 0.00 C ATOM 413 C GLU A 30 4.312 9.392 0.251 1.00 0.00 C ATOM 414 O GLU A 30 3.588 10.383 0.158 1.00 0.00 O ATOM 415 CB GLU A 30 6.651 10.333 0.225 1.00 0.00 C ATOM 416 CG GLU A 30 6.106 11.762 0.196 1.00 0.00 C ATOM 417 CD GLU A 30 7.230 12.773 -0.039 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.912 12.632 -1.077 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.381 13.664 0.824 1.00 0.00 O ATOM 0 H GLU A 30 4.979 10.487 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 30 6.089 8.356 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.827 10.028 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.613 10.296 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.359 11.854 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.604 11.983 1.138 1.00 0.00 H new ATOM 426 N PHE A 31 4.001 8.298 0.929 1.00 0.00 N ATOM 427 CA PHE A 31 2.737 8.188 1.636 1.00 0.00 C ATOM 428 C PHE A 31 2.956 8.158 3.150 1.00 0.00 C ATOM 429 O PHE A 31 3.987 7.681 3.623 1.00 0.00 O ATOM 430 CB PHE A 31 2.092 6.871 1.200 1.00 0.00 C ATOM 431 CG PHE A 31 1.495 6.907 -0.208 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.311 7.034 -1.290 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.150 6.812 -0.379 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.757 7.067 -2.597 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.404 6.846 -1.686 1.00 0.00 C ATOM 436 CZ PHE A 31 0.411 6.973 -2.768 1.00 0.00 C ATOM 0 H PHE A 31 4.604 7.478 1.004 1.00 0.00 H new ATOM 0 HA PHE A 31 2.106 9.046 1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.840 6.079 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.307 6.610 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.380 7.110 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.498 6.711 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.405 7.167 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.473 6.771 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.011 6.999 -3.762 1.00 0.00 H new ATOM 446 N PHE A 32 1.969 8.673 3.869 1.00 0.00 N ATOM 447 CA PHE A 32 2.041 8.711 5.320 1.00 0.00 C ATOM 448 C PHE A 32 0.815 8.045 5.947 1.00 0.00 C ATOM 449 O PHE A 32 -0.257 8.644 6.011 1.00 0.00 O ATOM 450 CB PHE A 32 2.070 10.185 5.728 1.00 0.00 C ATOM 451 CG PHE A 32 3.469 10.805 5.722 1.00 0.00 C ATOM 452 CD1 PHE A 32 4.167 10.897 4.558 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.015 11.265 6.879 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.465 11.472 4.551 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.313 11.840 6.873 1.00 0.00 C ATOM 456 CZ PHE A 32 6.011 11.931 5.709 1.00 0.00 C ATOM 0 H PHE A 32 1.115 9.067 3.474 1.00 0.00 H new ATOM 0 HA PHE A 32 2.927 8.176 5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.430 10.751 5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.644 10.283 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.733 10.532 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.461 11.193 7.803 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.019 11.545 3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.746 12.205 7.792 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.999 12.368 5.704 1.00 0.00 H new ATOM 466 N LEU A 33 1.014 6.814 6.395 1.00 0.00 N ATOM 467 CA LEU A 33 -0.062 6.060 7.015 1.00 0.00 C ATOM 468 C LEU A 33 0.468 5.362 8.270 1.00 0.00 C ATOM 469 O LEU A 33 1.678 5.263 8.466 1.00 0.00 O ATOM 470 CB LEU A 33 -0.699 5.105 6.004 1.00 0.00 C ATOM 471 CG LEU A 33 0.213 4.011 5.446 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.465 4.615 4.806 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.560 2.984 6.525 1.00 0.00 C ATOM 0 H LEU A 33 1.905 6.320 6.341 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.861 6.729 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.558 4.628 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.080 5.693 5.169 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.328 3.483 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.096 3.816 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.174 5.277 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.018 5.183 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.209 2.217 6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.073 3.481 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.355 2.521 6.895 1.00 0.00 H new ATOM 485 N ALA A 34 -0.465 4.896 9.087 1.00 0.00 N ATOM 486 CA ALA A 34 -0.108 4.211 10.318 1.00 0.00 C ATOM 487 C ALA A 34 1.088 3.294 10.056 1.00 0.00 C ATOM 488 O ALA A 34 1.179 2.672 8.999 1.00 0.00 O ATOM 489 CB ALA A 34 -1.323 3.447 10.848 1.00 0.00 C ATOM 0 H ALA A 34 -1.468 4.979 8.921 1.00 0.00 H new ATOM 0 HA ALA A 34 0.186 4.927 11.085 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.055 2.933 11.771 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.135 4.147 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.645 2.716 10.106 1.00 0.00 H new ATOM 495 N GLU A 35 1.977 3.238 11.038 1.00 0.00 N ATOM 496 CA GLU A 35 3.164 2.408 10.927 1.00 0.00 C ATOM 497 C GLU A 35 2.825 0.951 11.251 1.00 0.00 C ATOM 498 O GLU A 35 3.659 0.063 11.081 1.00 0.00 O ATOM 499 CB GLU A 35 4.281 2.925 11.835 1.00 0.00 C ATOM 500 CG GLU A 35 3.925 2.729 13.310 1.00 0.00 C ATOM 501 CD GLU A 35 5.187 2.620 14.169 1.00 0.00 C ATOM 502 OE1 GLU A 35 6.043 3.520 14.036 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.266 1.638 14.939 1.00 0.00 O ATOM 0 H GLU A 35 1.898 3.754 11.914 1.00 0.00 H new ATOM 0 HA GLU A 35 3.523 2.458 9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.210 2.401 11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.455 3.983 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.317 3.565 13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.323 1.828 13.426 1.00 0.00 H new ATOM 510 N ASN A 36 1.598 0.751 11.712 1.00 0.00 N ATOM 511 CA ASN A 36 1.139 -0.582 12.061 1.00 0.00 C ATOM 512 C ASN A 36 -0.037 -0.964 11.158 1.00 0.00 C ATOM 513 O ASN A 36 -0.637 -2.024 11.331 1.00 0.00 O ATOM 514 CB ASN A 36 0.658 -0.637 13.512 1.00 0.00 C ATOM 515 CG ASN A 36 1.783 -0.257 14.477 1.00 0.00 C ATOM 516 OD1 ASN A 36 2.830 -0.881 14.527 1.00 0.00 O ATOM 517 ND2 ASN A 36 1.509 0.798 15.239 1.00 0.00 N ATOM 0 H ASN A 36 0.909 1.490 11.851 1.00 0.00 H new ATOM 0 HA ASN A 36 1.974 -1.271 11.932 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.185 0.041 13.645 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.300 -1.640 13.742 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.196 1.130 15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.612 1.275 15.146 1.00 0.00 H new ATOM 524 N SER A 37 -0.329 -0.080 10.216 1.00 0.00 N ATOM 525 CA SER A 37 -1.422 -0.312 9.286 1.00 0.00 C ATOM 526 C SER A 37 -1.098 -1.505 8.385 1.00 0.00 C ATOM 527 O SER A 37 -0.174 -1.443 7.575 1.00 0.00 O ATOM 528 CB SER A 37 -1.698 0.933 8.441 1.00 0.00 C ATOM 529 OG SER A 37 -2.927 1.560 8.799 1.00 0.00 O ATOM 0 H SER A 37 0.171 0.798 10.076 1.00 0.00 H new ATOM 0 HA SER A 37 -2.321 -0.534 9.862 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.880 1.643 8.563 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.726 0.657 7.387 1.00 0.00 H new ATOM 0 HG SER A 37 -2.922 2.490 8.489 1.00 0.00 H new ATOM 535 N ASN A 38 -1.877 -2.563 8.555 1.00 0.00 N ATOM 536 CA ASN A 38 -1.685 -3.768 7.767 1.00 0.00 C ATOM 537 C ASN A 38 -1.318 -3.381 6.333 1.00 0.00 C ATOM 538 O ASN A 38 -1.677 -2.301 5.867 1.00 0.00 O ATOM 539 CB ASN A 38 -2.965 -4.605 7.719 1.00 0.00 C ATOM 540 CG ASN A 38 -4.197 -3.712 7.559 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.440 -2.801 8.333 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.960 -4.024 6.515 1.00 0.00 N ATOM 0 H ASN A 38 -2.643 -2.611 9.227 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.890 -4.352 8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.912 -5.310 6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.054 -5.193 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.806 -3.488 6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.699 -4.800 5.906 1.00 0.00 H new ATOM 549 N VAL A 39 -0.609 -4.285 5.673 1.00 0.00 N ATOM 550 CA VAL A 39 -0.190 -4.052 4.301 1.00 0.00 C ATOM 551 C VAL A 39 -1.416 -3.718 3.448 1.00 0.00 C ATOM 552 O VAL A 39 -1.375 -2.802 2.628 1.00 0.00 O ATOM 553 CB VAL A 39 0.590 -5.260 3.780 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.621 -5.274 2.250 1.00 0.00 C ATOM 555 CG2 VAL A 39 2.007 -5.289 4.358 1.00 0.00 C ATOM 0 H VAL A 39 -0.314 -5.180 6.063 1.00 0.00 H new ATOM 0 HA VAL A 39 0.486 -3.198 4.247 1.00 0.00 H new ATOM 0 HB VAL A 39 0.074 -6.161 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.182 -6.143 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.398 -5.324 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.101 -4.365 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.540 -6.158 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.536 -4.381 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.955 -5.349 5.445 1.00 0.00 H new ATOM 565 N ARG A 40 -2.477 -4.480 3.671 1.00 0.00 N ATOM 566 CA ARG A 40 -3.712 -4.277 2.932 1.00 0.00 C ATOM 567 C ARG A 40 -4.065 -2.789 2.889 1.00 0.00 C ATOM 568 O ARG A 40 -4.113 -2.190 1.815 1.00 0.00 O ATOM 569 CB ARG A 40 -4.868 -5.050 3.570 1.00 0.00 C ATOM 570 CG ARG A 40 -5.713 -5.750 2.503 1.00 0.00 C ATOM 571 CD ARG A 40 -7.199 -5.708 2.866 1.00 0.00 C ATOM 572 NE ARG A 40 -7.848 -6.984 2.491 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.133 -7.274 2.738 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.914 -6.381 3.361 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.636 -8.457 2.362 1.00 0.00 N ATOM 0 H ARG A 40 -2.507 -5.238 4.352 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.558 -4.647 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.475 -5.788 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.494 -4.367 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.557 -5.269 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.389 -6.786 2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.316 -5.532 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.684 -4.879 2.351 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.282 -7.687 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.531 -5.480 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.892 -6.602 3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.041 -9.137 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.614 -8.678 2.550 1.00 0.00 H new ATOM 589 N ARG A 41 -4.304 -2.235 4.068 1.00 0.00 N ATOM 590 CA ARG A 41 -4.651 -0.828 4.178 1.00 0.00 C ATOM 591 C ARG A 41 -3.695 0.022 3.339 1.00 0.00 C ATOM 592 O ARG A 41 -4.132 0.809 2.501 1.00 0.00 O ATOM 593 CB ARG A 41 -4.596 -0.359 5.634 1.00 0.00 C ATOM 594 CG ARG A 41 -5.871 -0.749 6.384 1.00 0.00 C ATOM 595 CD ARG A 41 -6.310 0.367 7.335 1.00 0.00 C ATOM 596 NE ARG A 41 -7.580 -0.003 7.997 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.123 0.679 9.015 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.511 1.770 9.493 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.280 0.270 9.554 1.00 0.00 N ATOM 0 H ARG A 41 -4.264 -2.735 4.956 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.669 -0.708 3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.730 -0.798 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.467 0.723 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.668 -0.958 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.700 -1.666 6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.538 0.543 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.436 1.298 6.783 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.073 -0.829 7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.631 2.082 9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.925 2.289 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.747 -0.560 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.693 0.789 10.329 1.00 0.00 H new ATOM 613 N PHE A 42 -2.409 -0.166 3.593 1.00 0.00 N ATOM 614 CA PHE A 42 -1.388 0.574 2.871 1.00 0.00 C ATOM 615 C PHE A 42 -1.616 0.492 1.360 1.00 0.00 C ATOM 616 O PHE A 42 -1.411 1.471 0.644 1.00 0.00 O ATOM 617 CB PHE A 42 -0.043 -0.076 3.207 1.00 0.00 C ATOM 618 CG PHE A 42 1.168 0.682 2.659 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.020 1.948 2.183 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.392 0.090 2.649 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.144 2.651 1.675 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.516 0.794 2.140 1.00 0.00 C ATOM 623 CZ PHE A 42 3.368 2.059 1.664 1.00 0.00 C ATOM 0 H PHE A 42 -2.050 -0.820 4.289 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.416 1.625 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.050 -0.155 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.033 -1.092 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.048 2.418 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.510 -0.915 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.027 3.656 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.488 0.324 2.131 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.223 2.594 1.277 1.00 0.00 H new ATOM 633 N LYS A 43 -2.038 -0.684 0.920 1.00 0.00 N ATOM 634 CA LYS A 43 -2.297 -0.906 -0.492 1.00 0.00 C ATOM 635 C LYS A 43 -3.486 -0.047 -0.929 1.00 0.00 C ATOM 636 O LYS A 43 -3.448 0.578 -1.988 1.00 0.00 O ATOM 637 CB LYS A 43 -2.480 -2.398 -0.776 1.00 0.00 C ATOM 638 CG LYS A 43 -1.157 -3.152 -0.619 1.00 0.00 C ATOM 639 CD LYS A 43 -1.401 -4.641 -0.368 1.00 0.00 C ATOM 640 CE LYS A 43 -0.443 -5.501 -1.195 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.198 -6.478 -2.011 1.00 0.00 N ATOM 0 H LYS A 43 -2.207 -1.494 1.517 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.440 -0.594 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.223 -2.813 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.863 -2.535 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.553 -3.025 -1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.589 -2.728 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.270 -4.861 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.431 -4.892 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.159 -4.865 -1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.247 -6.026 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.657 -7.364 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.117 -6.667 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.351 -6.090 -2.964 1.00 0.00 H new ATOM 655 N LYS A 44 -4.512 -0.044 -0.092 1.00 0.00 N ATOM 656 CA LYS A 44 -5.710 0.728 -0.378 1.00 0.00 C ATOM 657 C LYS A 44 -5.332 2.199 -0.559 1.00 0.00 C ATOM 658 O LYS A 44 -5.743 2.835 -1.529 1.00 0.00 O ATOM 659 CB LYS A 44 -6.769 0.493 0.700 1.00 0.00 C ATOM 660 CG LYS A 44 -7.408 -0.889 0.550 1.00 0.00 C ATOM 661 CD LYS A 44 -8.503 -1.103 1.596 1.00 0.00 C ATOM 662 CE LYS A 44 -9.177 -2.465 1.413 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.145 -2.715 2.505 1.00 0.00 N ATOM 0 H LYS A 44 -4.539 -0.564 0.785 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.162 0.397 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.314 0.582 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.538 1.262 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.830 -0.992 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.645 -1.660 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.074 -1.037 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.248 -0.311 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.688 -2.498 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.423 -3.252 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.593 -3.643 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.648 -2.704 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.874 -1.974 2.499 1.00 0.00 H new ATOM 677 N GLN A 45 -4.552 2.698 0.389 1.00 0.00 N ATOM 678 CA GLN A 45 -4.114 4.083 0.346 1.00 0.00 C ATOM 679 C GLN A 45 -3.618 4.439 -1.056 1.00 0.00 C ATOM 680 O GLN A 45 -3.922 5.514 -1.571 1.00 0.00 O ATOM 681 CB GLN A 45 -3.031 4.348 1.394 1.00 0.00 C ATOM 682 CG GLN A 45 -3.427 5.507 2.310 1.00 0.00 C ATOM 683 CD GLN A 45 -2.252 6.464 2.523 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.366 7.670 2.379 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.120 5.860 2.874 1.00 0.00 N ATOM 0 H GLN A 45 -4.212 2.168 1.191 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.966 4.721 0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.868 3.449 1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.088 4.578 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.267 6.048 1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.762 5.117 3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.094 4.846 2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.278 6.411 3.040 1.00 0.00 H new ATOM 694 N ILE A 46 -2.863 3.517 -1.635 1.00 0.00 N ATOM 695 CA ILE A 46 -2.322 3.721 -2.968 1.00 0.00 C ATOM 696 C ILE A 46 -3.471 3.776 -3.977 1.00 0.00 C ATOM 697 O ILE A 46 -3.567 4.717 -4.763 1.00 0.00 O ATOM 698 CB ILE A 46 -1.272 2.656 -3.289 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.082 2.753 -2.333 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.839 2.737 -4.754 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.451 1.363 -1.977 1.00 0.00 C ATOM 0 H ILE A 46 -2.613 2.626 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.801 4.677 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.724 1.675 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.711 3.344 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.383 3.275 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.092 1.969 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.704 2.580 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.412 3.720 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.297 1.461 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.337 0.783 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.773 0.853 -2.885 1.00 0.00 H new ATOM 713 N SER A 47 -4.314 2.755 -3.922 1.00 0.00 N ATOM 714 CA SER A 47 -5.453 2.675 -4.821 1.00 0.00 C ATOM 715 C SER A 47 -6.192 4.014 -4.849 1.00 0.00 C ATOM 716 O SER A 47 -6.732 4.408 -5.882 1.00 0.00 O ATOM 717 CB SER A 47 -6.404 1.552 -4.406 1.00 0.00 C ATOM 718 OG SER A 47 -7.582 2.054 -3.780 1.00 0.00 O ATOM 0 H SER A 47 -4.231 1.976 -3.269 1.00 0.00 H new ATOM 0 HA SER A 47 -5.084 2.450 -5.822 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.681 0.968 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.890 0.876 -3.723 1.00 0.00 H new ATOM 0 HG SER A 47 -7.351 2.436 -2.908 1.00 0.00 H new ATOM 724 N LYS A 48 -6.194 4.677 -3.702 1.00 0.00 N ATOM 725 CA LYS A 48 -6.858 5.964 -3.582 1.00 0.00 C ATOM 726 C LYS A 48 -6.234 6.950 -4.571 1.00 0.00 C ATOM 727 O LYS A 48 -6.866 7.333 -5.554 1.00 0.00 O ATOM 728 CB LYS A 48 -6.830 6.448 -2.130 1.00 0.00 C ATOM 729 CG LYS A 48 -7.415 5.392 -1.189 1.00 0.00 C ATOM 730 CD LYS A 48 -8.745 5.862 -0.597 1.00 0.00 C ATOM 731 CE LYS A 48 -8.523 6.935 0.470 1.00 0.00 C ATOM 732 NZ LYS A 48 -9.715 7.057 1.338 1.00 0.00 N ATOM 0 H LYS A 48 -5.746 4.347 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.912 5.874 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.804 6.673 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.397 7.374 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.564 4.459 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.708 5.184 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.380 6.258 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.272 5.014 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.651 6.682 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.313 7.893 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.547 7.790 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.539 7.320 0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.897 6.147 1.807 1.00 0.00 H new ATOM 746 N TYR A 49 -5.000 7.333 -4.277 1.00 0.00 N ATOM 747 CA TYR A 49 -4.283 8.267 -5.128 1.00 0.00 C ATOM 748 C TYR A 49 -4.031 7.665 -6.512 1.00 0.00 C ATOM 749 O TYR A 49 -4.629 8.093 -7.497 1.00 0.00 O ATOM 750 CB TYR A 49 -2.939 8.517 -4.441 1.00 0.00 C ATOM 751 CG TYR A 49 -1.972 9.375 -5.259 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.275 10.695 -5.522 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.797 8.829 -5.735 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.365 11.503 -6.292 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.113 9.636 -6.505 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.216 10.934 -6.746 1.00 0.00 C ATOM 757 OH TYR A 49 0.643 11.697 -7.473 1.00 0.00 O ATOM 0 H TYR A 49 -4.478 7.013 -3.461 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.859 9.182 -5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.118 9.003 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.467 7.558 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.195 11.122 -5.150 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.560 7.796 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.590 12.538 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.036 9.221 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 49 1.421 11.159 -7.729 1.00 0.00 H new ATOM 767 N LEU A 50 -3.143 6.681 -6.541 1.00 0.00 N ATOM 768 CA LEU A 50 -2.804 6.016 -7.788 1.00 0.00 C ATOM 769 C LEU A 50 -4.075 5.815 -8.615 1.00 0.00 C ATOM 770 O LEU A 50 -4.025 5.800 -9.844 1.00 0.00 O ATOM 771 CB LEU A 50 -2.038 4.721 -7.513 1.00 0.00 C ATOM 772 CG LEU A 50 -0.512 4.826 -7.541 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.013 5.532 -6.290 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.129 3.450 -7.734 1.00 0.00 C ATOM 0 H LEU A 50 -2.649 6.329 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.132 6.637 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.339 4.345 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.345 3.977 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.228 5.437 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.100 5.593 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.405 6.537 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.282 4.970 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.214 3.553 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.161 2.795 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.209 3.020 -8.677 1.00 0.00 H new ATOM 786 N HIS A 51 -5.186 5.665 -7.908 1.00 0.00 N ATOM 787 CA HIS A 51 -6.468 5.465 -8.562 1.00 0.00 C ATOM 788 C HIS A 51 -6.456 4.136 -9.319 1.00 0.00 C ATOM 789 O HIS A 51 -6.814 4.084 -10.495 1.00 0.00 O ATOM 790 CB HIS A 51 -6.812 6.656 -9.460 1.00 0.00 C ATOM 791 CG HIS A 51 -7.196 7.905 -8.703 1.00 0.00 C ATOM 792 ND1 HIS A 51 -8.286 7.961 -7.853 1.00 0.00 N ATOM 793 CD2 HIS A 51 -6.623 9.142 -8.677 1.00 0.00 C ATOM 794 CE1 HIS A 51 -8.358 9.182 -7.344 1.00 0.00 C ATOM 795 NE2 HIS A 51 -7.326 9.913 -7.857 1.00 0.00 N ATOM 0 H HIS A 51 -5.225 5.678 -6.889 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.258 5.409 -7.813 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.955 6.878 -10.096 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.634 6.376 -10.119 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.746 9.443 -9.230 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.102 9.536 -6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.128 10.891 -7.645 1.00 0.00 H new ATOM 803 N CYS A 52 -6.041 3.094 -8.614 1.00 0.00 N ATOM 804 CA CYS A 52 -5.979 1.768 -9.205 1.00 0.00 C ATOM 805 C CYS A 52 -6.744 0.801 -8.298 1.00 0.00 C ATOM 806 O CYS A 52 -7.398 1.224 -7.346 1.00 0.00 O ATOM 807 CB CYS A 52 -4.534 1.316 -9.430 1.00 0.00 C ATOM 808 SG CYS A 52 -3.745 2.359 -10.710 1.00 0.00 S ATOM 0 H CYS A 52 -5.744 3.141 -7.639 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.444 1.785 -10.191 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.974 1.384 -8.498 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.515 0.271 -9.738 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.877 3.612 -10.390 1.00 0.00 H new ATOM 814 N ASN A 53 -6.636 -0.478 -8.626 1.00 0.00 N ATOM 815 CA ASN A 53 -7.310 -1.508 -7.854 1.00 0.00 C ATOM 816 C ASN A 53 -6.308 -2.162 -6.901 1.00 0.00 C ATOM 817 O ASN A 53 -5.278 -2.677 -7.335 1.00 0.00 O ATOM 818 CB ASN A 53 -7.877 -2.598 -8.766 1.00 0.00 C ATOM 819 CG ASN A 53 -9.354 -2.343 -9.073 1.00 0.00 C ATOM 820 OD1 ASN A 53 -9.908 -1.301 -8.762 1.00 0.00 O ATOM 821 ND2 ASN A 53 -9.958 -3.348 -9.700 1.00 0.00 N ATOM 0 H ASN A 53 -6.092 -0.825 -9.416 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.126 -1.038 -7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.309 -2.631 -9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.764 -3.571 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.944 -3.274 -9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.435 -4.193 -9.931 1.00 0.00 H new ATOM 828 N ALA A 54 -6.644 -2.121 -5.620 1.00 0.00 N ATOM 829 CA ALA A 54 -5.786 -2.704 -4.602 1.00 0.00 C ATOM 830 C ALA A 54 -5.683 -4.213 -4.831 1.00 0.00 C ATOM 831 O ALA A 54 -4.725 -4.847 -4.391 1.00 0.00 O ATOM 832 CB ALA A 54 -6.333 -2.360 -3.216 1.00 0.00 C ATOM 0 H ALA A 54 -7.499 -1.693 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.779 -2.292 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.690 -2.797 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.358 -1.277 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.342 -2.760 -3.113 1.00 0.00 H new ATOM 838 N ASP A 55 -6.682 -4.745 -5.519 1.00 0.00 N ATOM 839 CA ASP A 55 -6.716 -6.167 -5.812 1.00 0.00 C ATOM 840 C ASP A 55 -5.549 -6.521 -6.737 1.00 0.00 C ATOM 841 O ASP A 55 -5.162 -7.685 -6.836 1.00 0.00 O ATOM 842 CB ASP A 55 -8.015 -6.553 -6.522 1.00 0.00 C ATOM 843 CG ASP A 55 -8.183 -8.049 -6.795 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.959 -8.828 -5.844 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.532 -8.379 -7.949 1.00 0.00 O ATOM 0 H ASP A 55 -7.475 -4.216 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.647 -6.707 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.856 -6.212 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.066 -6.018 -7.470 1.00 0.00 H new ATOM 850 N ARG A 56 -5.022 -5.496 -7.390 1.00 0.00 N ATOM 851 CA ARG A 56 -3.907 -5.684 -8.303 1.00 0.00 C ATOM 852 C ARG A 56 -2.643 -5.031 -7.740 1.00 0.00 C ATOM 853 O ARG A 56 -1.601 -5.023 -8.393 1.00 0.00 O ATOM 854 CB ARG A 56 -4.214 -5.085 -9.677 1.00 0.00 C ATOM 855 CG ARG A 56 -5.595 -5.521 -10.169 1.00 0.00 C ATOM 856 CD ARG A 56 -5.578 -6.979 -10.633 1.00 0.00 C ATOM 857 NE ARG A 56 -6.469 -7.149 -11.802 1.00 0.00 N ATOM 858 CZ ARG A 56 -6.505 -8.250 -12.565 1.00 0.00 C ATOM 859 NH1 ARG A 56 -5.700 -9.285 -12.287 1.00 0.00 N ATOM 860 NH2 ARG A 56 -7.346 -8.317 -13.606 1.00 0.00 N ATOM 0 H ARG A 56 -5.346 -4.533 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.747 -6.756 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.171 -3.997 -9.621 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.454 -5.398 -10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.325 -5.399 -9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.912 -4.878 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.562 -7.274 -10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.901 -7.631 -9.822 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.095 -6.380 -12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.060 -9.235 -11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.728 -10.123 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.959 -7.530 -13.818 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.373 -9.155 -14.187 1.00 0.00 H new ATOM 874 N LEU A 57 -2.778 -4.500 -6.533 1.00 0.00 N ATOM 875 CA LEU A 57 -1.660 -3.846 -5.875 1.00 0.00 C ATOM 876 C LEU A 57 -0.896 -4.873 -5.037 1.00 0.00 C ATOM 877 O LEU A 57 -1.502 -5.710 -4.370 1.00 0.00 O ATOM 878 CB LEU A 57 -2.143 -2.635 -5.074 1.00 0.00 C ATOM 879 CG LEU A 57 -2.640 -1.443 -5.894 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.296 -0.394 -4.995 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.510 -0.849 -6.737 1.00 0.00 C ATOM 0 H LEU A 57 -3.644 -4.510 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.961 -3.452 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.949 -2.958 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.326 -2.297 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.405 -1.799 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.640 0.442 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.145 -0.839 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.571 -0.037 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.890 -0.003 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.706 -0.512 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.128 -1.608 -7.420 1.00 0.00 H new ATOM 893 N VAL A 58 0.424 -4.775 -5.098 1.00 0.00 N ATOM 894 CA VAL A 58 1.278 -5.685 -4.353 1.00 0.00 C ATOM 895 C VAL A 58 2.316 -4.878 -3.571 1.00 0.00 C ATOM 896 O VAL A 58 2.988 -4.014 -4.133 1.00 0.00 O ATOM 897 CB VAL A 58 1.906 -6.708 -5.301 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.717 -7.748 -4.526 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.839 -7.380 -6.168 1.00 0.00 C ATOM 0 H VAL A 58 0.923 -4.079 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 58 0.693 -6.251 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 58 2.589 -6.176 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.153 -8.463 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.513 -7.250 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.064 -8.273 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.312 -8.103 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.120 -7.892 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.324 -6.625 -6.761 1.00 0.00 H new ATOM 909 N LEU A 59 2.416 -5.188 -2.287 1.00 0.00 N ATOM 910 CA LEU A 59 3.361 -4.503 -1.422 1.00 0.00 C ATOM 911 C LEU A 59 4.727 -5.185 -1.525 1.00 0.00 C ATOM 912 O LEU A 59 4.826 -6.406 -1.411 1.00 0.00 O ATOM 913 CB LEU A 59 2.820 -4.423 0.007 1.00 0.00 C ATOM 914 CG LEU A 59 2.650 -3.016 0.582 1.00 0.00 C ATOM 915 CD1 LEU A 59 3.985 -2.464 1.086 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.992 -2.083 -0.437 1.00 0.00 C ATOM 0 H LEU A 59 1.857 -5.905 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 59 3.494 -3.471 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.853 -4.925 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.490 -4.982 0.660 1.00 0.00 H new ATOM 0 HG LEU A 59 1.982 -3.077 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.836 -1.463 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.376 -3.115 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.696 -2.420 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.883 -1.089 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.614 -2.023 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.010 -2.472 -0.705 1.00 0.00 H new ATOM 928 N ILE A 60 5.747 -4.367 -1.741 1.00 0.00 N ATOM 929 CA ILE A 60 7.102 -4.876 -1.860 1.00 0.00 C ATOM 930 C ILE A 60 8.054 -3.967 -1.080 1.00 0.00 C ATOM 931 O ILE A 60 8.344 -2.851 -1.508 1.00 0.00 O ATOM 932 CB ILE A 60 7.483 -5.045 -3.333 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.541 -6.027 -4.033 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.950 -5.456 -3.476 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.529 -5.286 -4.909 1.00 0.00 C ATOM 0 H ILE A 60 5.662 -3.355 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 60 7.176 -5.870 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 60 7.369 -4.081 -3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.120 -6.718 -4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.014 -6.625 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.195 -5.569 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.587 -4.689 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.114 -6.403 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.872 -6.007 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.935 -4.614 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.058 -4.709 -5.667 1.00 0.00 H new ATOM 947 N PHE A 61 8.515 -4.479 0.052 1.00 0.00 N ATOM 948 CA PHE A 61 9.428 -3.728 0.896 1.00 0.00 C ATOM 949 C PHE A 61 10.835 -4.328 0.852 1.00 0.00 C ATOM 950 O PHE A 61 11.004 -5.535 1.018 1.00 0.00 O ATOM 951 CB PHE A 61 8.893 -3.819 2.326 1.00 0.00 C ATOM 952 CG PHE A 61 9.920 -3.455 3.400 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.287 -2.158 3.578 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.466 -4.429 4.177 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.241 -1.820 4.575 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.420 -4.091 5.173 1.00 0.00 C ATOM 957 CZ PHE A 61 11.787 -2.794 5.351 1.00 0.00 C ATOM 0 H PHE A 61 8.273 -5.405 0.404 1.00 0.00 H new ATOM 0 HA PHE A 61 9.491 -2.696 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.031 -3.158 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.538 -4.834 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.853 -1.385 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.174 -5.459 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.532 -0.790 4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.854 -4.864 5.789 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.512 -2.537 6.109 1.00 0.00 H new ATOM 967 N THR A 62 11.808 -3.458 0.628 1.00 0.00 N ATOM 968 CA THR A 62 13.195 -3.887 0.560 1.00 0.00 C ATOM 969 C THR A 62 13.349 -5.038 -0.435 1.00 0.00 C ATOM 970 O THR A 62 14.316 -5.795 -0.370 1.00 0.00 O ATOM 971 CB THR A 62 13.649 -4.243 1.977 1.00 0.00 C ATOM 972 OG1 THR A 62 15.062 -4.394 1.860 1.00 0.00 O ATOM 973 CG2 THR A 62 13.162 -5.625 2.418 1.00 0.00 C ATOM 0 H THR A 62 11.664 -2.458 0.491 1.00 0.00 H new ATOM 0 HA THR A 62 13.838 -3.090 0.188 1.00 0.00 H new ATOM 0 HB THR A 62 13.284 -3.490 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.265 -5.013 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.512 -5.828 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.072 -5.650 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.555 -6.383 1.740 1.00 0.00 H new ATOM 981 N GLY A 63 12.380 -5.135 -1.334 1.00 0.00 N ATOM 982 CA GLY A 63 12.395 -6.181 -2.342 1.00 0.00 C ATOM 983 C GLY A 63 11.550 -7.379 -1.902 1.00 0.00 C ATOM 984 O GLY A 63 11.246 -8.258 -2.707 1.00 0.00 O ATOM 0 H GLY A 63 11.579 -4.506 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.013 -5.788 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.421 -6.502 -2.523 1.00 0.00 H new ATOM 988 N LYS A 64 11.195 -7.374 -0.626 1.00 0.00 N ATOM 989 CA LYS A 64 10.391 -8.449 -0.069 1.00 0.00 C ATOM 990 C LYS A 64 8.909 -8.140 -0.292 1.00 0.00 C ATOM 991 O LYS A 64 8.395 -7.145 0.216 1.00 0.00 O ATOM 992 CB LYS A 64 10.755 -8.686 1.398 1.00 0.00 C ATOM 993 CG LYS A 64 11.890 -9.705 1.524 1.00 0.00 C ATOM 994 CD LYS A 64 11.338 -11.127 1.649 1.00 0.00 C ATOM 995 CE LYS A 64 12.159 -12.109 0.811 1.00 0.00 C ATOM 996 NZ LYS A 64 12.736 -13.167 1.670 1.00 0.00 N ATOM 0 H LYS A 64 11.449 -6.643 0.038 1.00 0.00 H new ATOM 0 HA LYS A 64 10.603 -9.387 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.054 -7.745 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.879 -9.043 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.541 -9.639 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.500 -9.470 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.351 -11.436 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.298 -11.147 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.528 -12.559 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.957 -11.576 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.290 -13.825 1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.355 -12.734 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.969 -13.686 2.144 1.00 0.00 H new ATOM 1010 N ILE A 65 8.264 -9.013 -1.053 1.00 0.00 N ATOM 1011 CA ILE A 65 6.852 -8.846 -1.350 1.00 0.00 C ATOM 1012 C ILE A 65 6.028 -9.215 -0.115 1.00 0.00 C ATOM 1013 O ILE A 65 6.251 -10.261 0.494 1.00 0.00 O ATOM 1014 CB ILE A 65 6.470 -9.637 -2.603 1.00 0.00 C ATOM 1015 CG1 ILE A 65 7.238 -9.131 -3.826 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.957 -9.614 -2.827 1.00 0.00 C ATOM 1017 CD1 ILE A 65 8.181 -10.208 -4.366 1.00 0.00 C ATOM 0 H ILE A 65 8.694 -9.838 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 65 6.632 -7.803 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 65 6.757 -10.677 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.535 -8.835 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.810 -8.243 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.713 -10.184 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.455 -10.058 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.623 -8.584 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.714 -9.822 -5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.898 -10.484 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.603 -11.086 -4.655 1.00 0.00 H new ATOM 1029 N LEU A 66 5.094 -8.337 0.218 1.00 0.00 N ATOM 1030 CA LEU A 66 4.235 -8.558 1.370 1.00 0.00 C ATOM 1031 C LEU A 66 2.908 -9.158 0.903 1.00 0.00 C ATOM 1032 O LEU A 66 2.728 -9.430 -0.283 1.00 0.00 O ATOM 1033 CB LEU A 66 4.078 -7.267 2.176 1.00 0.00 C ATOM 1034 CG LEU A 66 5.327 -6.392 2.292 1.00 0.00 C ATOM 1035 CD1 LEU A 66 4.974 -4.998 2.815 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.396 -7.072 3.150 1.00 0.00 C ATOM 0 H LEU A 66 4.913 -7.471 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 66 4.688 -9.278 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.284 -6.674 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.747 -7.528 3.181 1.00 0.00 H new ATOM 0 HG LEU A 66 5.748 -6.265 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.880 -4.397 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.274 -4.519 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.516 -5.084 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.273 -6.428 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.001 -7.250 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.677 -8.022 2.696 1.00 0.00 H new ATOM 1048 N ARG A 67 2.011 -9.346 1.861 1.00 0.00 N ATOM 1049 CA ARG A 67 0.705 -9.909 1.563 1.00 0.00 C ATOM 1050 C ARG A 67 -0.385 -8.854 1.760 1.00 0.00 C ATOM 1051 O ARG A 67 -0.755 -8.155 0.817 1.00 0.00 O ATOM 1052 CB ARG A 67 0.407 -11.113 2.458 1.00 0.00 C ATOM 1053 CG ARG A 67 1.226 -12.332 2.028 1.00 0.00 C ATOM 1054 CD ARG A 67 0.736 -12.875 0.684 1.00 0.00 C ATOM 1055 NE ARG A 67 0.306 -14.283 0.833 1.00 0.00 N ATOM 1056 CZ ARG A 67 -0.252 -15.006 -0.148 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.452 -14.457 -1.354 1.00 0.00 N ATOM 1058 NH2 ARG A 67 -0.611 -16.277 0.077 1.00 0.00 N ATOM 0 H ARG A 67 2.163 -9.118 2.844 1.00 0.00 H new ATOM 0 HA ARG A 67 0.715 -10.237 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.634 -10.865 3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.656 -11.350 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.279 -12.059 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.152 -13.110 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.094 -12.270 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.532 -12.806 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 67 0.443 -14.731 1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.180 -13.489 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.877 -15.007 -2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.460 -16.695 0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.036 -16.827 -0.670 1.00 0.00 H new ATOM 1072 N ASP A 68 -0.868 -8.770 2.991 1.00 0.00 N ATOM 1073 CA ASP A 68 -1.908 -7.812 3.323 1.00 0.00 C ATOM 1074 C ASP A 68 -2.241 -7.923 4.812 1.00 0.00 C ATOM 1075 O ASP A 68 -2.501 -6.917 5.471 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.187 -8.090 2.531 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.122 -9.305 1.603 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -2.948 -10.420 2.139 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -3.247 -9.090 0.378 1.00 0.00 O ATOM 0 H ASP A 68 -0.558 -9.350 3.771 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.540 -6.816 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.008 -8.232 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.426 -7.209 1.935 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.223 -9.155 5.300 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.519 -9.411 6.699 1.00 0.00 C ATOM 1086 C GLN A 69 -1.276 -9.170 7.558 1.00 0.00 C ATOM 1087 O GLN A 69 -1.309 -9.362 8.772 1.00 0.00 O ATOM 1088 CB GLN A 69 -3.055 -10.830 6.896 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.971 -11.870 6.608 1.00 0.00 C ATOM 1090 CD GLN A 69 -2.408 -13.261 7.072 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.567 -13.529 8.251 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -2.592 -14.129 6.081 1.00 0.00 N ATOM 0 H GLN A 69 -2.008 -9.987 4.751 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.297 -8.717 7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.415 -10.948 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.907 -10.996 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.756 -11.890 5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.048 -11.588 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.441 -13.839 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.884 -15.084 6.287 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.208 -8.753 6.893 1.00 0.00 N ATOM 1102 CA ASP A 70 1.044 -8.485 7.580 1.00 0.00 C ATOM 1103 C ASP A 70 1.135 -6.991 7.898 1.00 0.00 C ATOM 1104 O ASP A 70 0.754 -6.154 7.081 1.00 0.00 O ATOM 1105 CB ASP A 70 2.243 -8.856 6.705 1.00 0.00 C ATOM 1106 CG ASP A 70 2.460 -10.358 6.510 1.00 0.00 C ATOM 1107 OD1 ASP A 70 2.378 -11.081 7.526 1.00 0.00 O ATOM 1108 OD2 ASP A 70 2.702 -10.750 5.348 1.00 0.00 O ATOM 0 H ASP A 70 -0.184 -8.594 5.886 1.00 0.00 H new ATOM 0 HA ASP A 70 1.064 -9.083 8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.117 -8.392 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.143 -8.428 7.147 1.00 0.00 H new ATOM 1113 N ILE A 71 1.642 -6.702 9.088 1.00 0.00 N ATOM 1114 CA ILE A 71 1.789 -5.324 9.524 1.00 0.00 C ATOM 1115 C ILE A 71 3.144 -4.787 9.058 1.00 0.00 C ATOM 1116 O ILE A 71 4.155 -5.483 9.148 1.00 0.00 O ATOM 1117 CB ILE A 71 1.570 -5.214 11.034 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.092 -5.387 11.388 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.139 -3.901 11.577 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.449 -6.715 10.852 1.00 0.00 C ATOM 0 H ILE A 71 1.956 -7.399 9.763 1.00 0.00 H new ATOM 0 HA ILE A 71 1.024 -4.696 9.067 1.00 0.00 H new ATOM 0 HB ILE A 71 2.114 -6.025 11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.033 -5.350 12.470 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.484 -4.561 10.972 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.970 -3.848 12.653 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.209 -3.857 11.375 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.644 -3.061 11.090 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.502 -6.813 11.118 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.345 -6.739 9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.114 -7.540 11.289 1.00 0.00 H new ATOM 1132 N LEU A 72 3.121 -3.555 8.571 1.00 0.00 N ATOM 1133 CA LEU A 72 4.335 -2.918 8.092 1.00 0.00 C ATOM 1134 C LEU A 72 5.485 -3.233 9.050 1.00 0.00 C ATOM 1135 O LEU A 72 6.388 -3.997 8.712 1.00 0.00 O ATOM 1136 CB LEU A 72 4.106 -1.420 7.879 1.00 0.00 C ATOM 1137 CG LEU A 72 2.893 -1.042 7.026 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.792 0.475 6.858 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.921 -1.768 5.680 1.00 0.00 C ATOM 0 H LEU A 72 2.281 -2.981 8.498 1.00 0.00 H new ATOM 0 HA LEU A 72 4.614 -3.317 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.001 -0.946 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.998 -0.999 7.415 1.00 0.00 H new ATOM 0 HG LEU A 72 1.994 -1.368 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.922 0.716 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.690 0.943 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.692 0.848 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.048 -1.481 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.827 -1.496 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.908 -2.845 5.847 1.00 0.00 H new ATOM 1151 N SER A 73 5.414 -2.630 10.228 1.00 0.00 N ATOM 1152 CA SER A 73 6.438 -2.837 11.238 1.00 0.00 C ATOM 1153 C SER A 73 6.727 -4.331 11.391 1.00 0.00 C ATOM 1154 O SER A 73 7.878 -4.756 11.308 1.00 0.00 O ATOM 1155 CB SER A 73 6.016 -2.237 12.581 1.00 0.00 C ATOM 1156 OG SER A 73 6.490 -3.008 13.682 1.00 0.00 O ATOM 0 H SER A 73 4.663 -1.998 10.505 1.00 0.00 H new ATOM 0 HA SER A 73 7.346 -2.329 10.914 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.398 -1.219 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.929 -2.173 12.624 1.00 0.00 H new ATOM 0 HG SER A 73 6.202 -2.592 14.521 1.00 0.00 H new ATOM 1162 N GLN A 74 5.662 -5.088 11.612 1.00 0.00 N ATOM 1163 CA GLN A 74 5.787 -6.526 11.777 1.00 0.00 C ATOM 1164 C GLN A 74 6.738 -7.101 10.726 1.00 0.00 C ATOM 1165 O GLN A 74 7.477 -8.045 11.001 1.00 0.00 O ATOM 1166 CB GLN A 74 4.419 -7.207 11.709 1.00 0.00 C ATOM 1167 CG GLN A 74 3.660 -7.047 13.029 1.00 0.00 C ATOM 1168 CD GLN A 74 2.403 -7.919 13.048 1.00 0.00 C ATOM 1169 OE1 GLN A 74 2.381 -9.032 12.548 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.362 -7.353 13.651 1.00 0.00 N ATOM 0 H GLN A 74 4.709 -4.732 11.681 1.00 0.00 H new ATOM 0 HA GLN A 74 6.206 -6.723 12.764 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.835 -6.777 10.895 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.547 -8.266 11.485 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.309 -7.320 13.861 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.384 -6.002 13.170 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.449 -6.418 14.048 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.476 -7.854 13.716 1.00 0.00 H new ATOM 1179 N ARG A 75 6.689 -6.507 9.542 1.00 0.00 N ATOM 1180 CA ARG A 75 7.538 -6.948 8.448 1.00 0.00 C ATOM 1181 C ARG A 75 8.925 -6.312 8.562 1.00 0.00 C ATOM 1182 O ARG A 75 9.938 -6.995 8.420 1.00 0.00 O ATOM 1183 CB ARG A 75 6.926 -6.581 7.095 1.00 0.00 C ATOM 1184 CG ARG A 75 5.789 -7.538 6.729 1.00 0.00 C ATOM 1185 CD ARG A 75 6.251 -8.994 6.808 1.00 0.00 C ATOM 1186 NE ARG A 75 5.656 -9.775 5.701 1.00 0.00 N ATOM 1187 CZ ARG A 75 5.597 -11.113 5.672 1.00 0.00 C ATOM 1188 NH1 ARG A 75 6.097 -11.828 6.689 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.039 -11.737 4.626 1.00 0.00 N ATOM 0 H ARG A 75 6.075 -5.724 9.317 1.00 0.00 H new ATOM 0 HA ARG A 75 7.626 -8.033 8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.549 -5.559 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.695 -6.613 6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.947 -7.383 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.435 -7.319 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.339 -9.042 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.960 -9.425 7.766 1.00 0.00 H new ATOM 0 HE ARG A 75 5.266 -9.262 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.523 -11.353 7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.052 -12.847 6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.659 -11.193 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.994 -12.756 4.604 1.00 0.00 H new ATOM 1203 N GLY A 76 8.925 -5.012 8.818 1.00 0.00 N ATOM 1204 CA GLY A 76 10.171 -4.276 8.952 1.00 0.00 C ATOM 1205 C GLY A 76 9.990 -2.812 8.548 1.00 0.00 C ATOM 1206 O GLY A 76 10.708 -1.938 9.030 1.00 0.00 O ATOM 0 H GLY A 76 8.082 -4.450 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.521 -4.332 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.938 -4.736 8.329 1.00 0.00 H new ATOM 1210 N ILE A 77 9.026 -2.590 7.666 1.00 0.00 N ATOM 1211 CA ILE A 77 8.741 -1.246 7.192 1.00 0.00 C ATOM 1212 C ILE A 77 8.739 -0.281 8.378 1.00 0.00 C ATOM 1213 O ILE A 77 7.841 -0.325 9.218 1.00 0.00 O ATOM 1214 CB ILE A 77 7.444 -1.228 6.381 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.656 -1.831 4.991 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.861 0.185 6.310 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.340 -2.352 4.412 1.00 0.00 C ATOM 0 H ILE A 77 8.433 -3.318 7.267 1.00 0.00 H new ATOM 0 HA ILE A 77 9.521 -0.909 6.509 1.00 0.00 H new ATOM 0 HB ILE A 77 6.713 -1.853 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.078 -1.078 4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.379 -2.645 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.940 0.170 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.648 0.542 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.580 0.852 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.520 -2.775 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.933 -3.122 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.628 -1.531 4.331 1.00 0.00 H new ATOM 1229 N LEU A 78 9.754 0.570 8.410 1.00 0.00 N ATOM 1230 CA LEU A 78 9.881 1.545 9.480 1.00 0.00 C ATOM 1231 C LEU A 78 9.761 2.954 8.896 1.00 0.00 C ATOM 1232 O LEU A 78 9.375 3.121 7.741 1.00 0.00 O ATOM 1233 CB LEU A 78 11.172 1.313 10.267 1.00 0.00 C ATOM 1234 CG LEU A 78 11.007 1.065 11.768 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.110 -0.147 12.028 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.368 0.928 12.454 1.00 0.00 C ATOM 0 H LEU A 78 10.497 0.605 7.712 1.00 0.00 H new ATOM 0 HA LEU A 78 9.072 1.428 10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.690 0.458 9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.818 2.180 10.131 1.00 0.00 H new ATOM 0 HG LEU A 78 10.512 1.932 12.205 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.009 -0.301 13.102 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.126 0.028 11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.555 -1.033 11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.222 0.752 13.520 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.912 0.089 12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.941 1.845 12.312 1.00 0.00 H new ATOM 1248 N ASP A 79 10.101 3.933 9.722 1.00 0.00 N ATOM 1249 CA ASP A 79 10.036 5.323 9.303 1.00 0.00 C ATOM 1250 C ASP A 79 11.173 5.606 8.318 1.00 0.00 C ATOM 1251 O ASP A 79 12.323 5.253 8.573 1.00 0.00 O ATOM 1252 CB ASP A 79 10.198 6.266 10.496 1.00 0.00 C ATOM 1253 CG ASP A 79 10.691 7.672 10.147 1.00 0.00 C ATOM 1254 OD1 ASP A 79 10.009 8.325 9.327 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.738 8.062 10.706 1.00 0.00 O ATOM 0 H ASP A 79 10.422 3.791 10.680 1.00 0.00 H new ATOM 0 HA ASP A 79 9.064 5.492 8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.239 6.350 11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.896 5.817 11.202 1.00 0.00 H new ATOM 1260 N GLY A 80 10.810 6.242 7.213 1.00 0.00 N ATOM 1261 CA GLY A 80 11.785 6.577 6.189 1.00 0.00 C ATOM 1262 C GLY A 80 12.208 5.332 5.406 1.00 0.00 C ATOM 1263 O GLY A 80 13.391 5.139 5.133 1.00 0.00 O ATOM 0 H GLY A 80 9.855 6.534 7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.362 7.314 5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.660 7.035 6.651 1.00 0.00 H new ATOM 1267 N SER A 81 11.217 4.520 5.068 1.00 0.00 N ATOM 1268 CA SER A 81 11.472 3.300 4.322 1.00 0.00 C ATOM 1269 C SER A 81 10.964 3.449 2.886 1.00 0.00 C ATOM 1270 O SER A 81 10.123 4.301 2.606 1.00 0.00 O ATOM 1271 CB SER A 81 10.812 2.095 4.995 1.00 0.00 C ATOM 1272 OG SER A 81 11.069 2.060 6.397 1.00 0.00 O ATOM 0 H SER A 81 10.237 4.683 5.297 1.00 0.00 H new ATOM 0 HA SER A 81 12.548 3.128 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.736 2.129 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.179 1.177 4.536 1.00 0.00 H new ATOM 0 HG SER A 81 10.758 2.894 6.807 1.00 0.00 H new ATOM 1278 N THR A 82 11.498 2.606 2.013 1.00 0.00 N ATOM 1279 CA THR A 82 11.109 2.633 0.614 1.00 0.00 C ATOM 1280 C THR A 82 10.363 1.350 0.242 1.00 0.00 C ATOM 1281 O THR A 82 10.858 0.249 0.480 1.00 0.00 O ATOM 1282 CB THR A 82 12.369 2.866 -0.222 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.712 4.225 0.038 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.089 2.835 -1.726 1.00 0.00 C ATOM 0 H THR A 82 12.196 1.901 2.248 1.00 0.00 H new ATOM 0 HA THR A 82 10.412 3.447 0.413 1.00 0.00 H new ATOM 0 HB THR A 82 13.113 2.108 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.520 4.460 -0.464 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.017 3.006 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.680 1.862 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.370 3.615 -1.978 1.00 0.00 H new ATOM 1292 N VAL A 83 9.185 1.534 -0.334 1.00 0.00 N ATOM 1293 CA VAL A 83 8.365 0.405 -0.741 1.00 0.00 C ATOM 1294 C VAL A 83 7.993 0.556 -2.217 1.00 0.00 C ATOM 1295 O VAL A 83 7.534 1.616 -2.640 1.00 0.00 O ATOM 1296 CB VAL A 83 7.145 0.288 0.175 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.372 -1.003 -0.105 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.553 0.376 1.646 1.00 0.00 C ATOM 0 H VAL A 83 8.778 2.449 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 83 8.921 -0.527 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 83 6.483 1.128 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.510 -1.062 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.033 -1.007 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.022 -1.861 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.667 0.290 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.245 -0.433 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.039 1.334 1.832 1.00 0.00 H new ATOM 1308 N HIS A 84 8.206 -0.520 -2.961 1.00 0.00 N ATOM 1309 CA HIS A 84 7.898 -0.520 -4.381 1.00 0.00 C ATOM 1310 C HIS A 84 6.418 -0.851 -4.586 1.00 0.00 C ATOM 1311 O HIS A 84 5.915 -1.827 -4.032 1.00 0.00 O ATOM 1312 CB HIS A 84 8.828 -1.470 -5.138 1.00 0.00 C ATOM 1313 CG HIS A 84 10.237 -0.951 -5.300 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.602 -0.077 -6.310 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.365 -1.190 -4.572 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.893 0.190 -6.185 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.365 -0.501 -5.108 1.00 0.00 N ATOM 0 H HIS A 84 8.588 -1.397 -2.607 1.00 0.00 H new ATOM 0 HA HIS A 84 8.073 0.473 -4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.862 -2.424 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.408 -1.664 -6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.433 -1.831 -3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.471 0.841 -6.824 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.327 -0.490 -4.770 1.00 0.00 H new ATOM 1325 N VAL A 85 5.764 -0.019 -5.382 1.00 0.00 N ATOM 1326 CA VAL A 85 4.352 -0.211 -5.667 1.00 0.00 C ATOM 1327 C VAL A 85 4.199 -0.907 -7.021 1.00 0.00 C ATOM 1328 O VAL A 85 5.034 -0.737 -7.908 1.00 0.00 O ATOM 1329 CB VAL A 85 3.617 1.129 -5.597 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.954 2.003 -6.807 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.106 0.920 -5.475 1.00 0.00 C ATOM 0 H VAL A 85 6.185 0.790 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 85 3.895 -0.856 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 85 3.956 1.651 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.419 2.950 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.027 2.194 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.657 1.489 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.607 1.888 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.744 0.368 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.889 0.355 -4.569 1.00 0.00 H new ATOM 1341 N VAL A 86 3.126 -1.676 -7.137 1.00 0.00 N ATOM 1342 CA VAL A 86 2.853 -2.398 -8.368 1.00 0.00 C ATOM 1343 C VAL A 86 1.345 -2.407 -8.625 1.00 0.00 C ATOM 1344 O VAL A 86 0.552 -2.312 -7.690 1.00 0.00 O ATOM 1345 CB VAL A 86 3.456 -3.803 -8.295 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.769 -4.746 -9.285 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.967 -3.764 -8.533 1.00 0.00 C ATOM 0 H VAL A 86 2.436 -1.815 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 86 3.324 -1.900 -9.216 1.00 0.00 H new ATOM 0 HB VAL A 86 3.285 -4.190 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.216 -5.738 -9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.707 -4.809 -9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.894 -4.364 -10.298 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.371 -4.775 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.169 -3.348 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.439 -3.141 -7.773 1.00 0.00 H new ATOM 1357 N VAL A 87 0.995 -2.523 -9.898 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.404 -2.546 -10.290 1.00 0.00 C ATOM 1359 C VAL A 87 -0.614 -3.624 -11.355 1.00 0.00 C ATOM 1360 O VAL A 87 -0.796 -3.312 -12.531 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.841 -1.155 -10.753 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.366 -1.046 -10.801 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.242 -0.066 -9.860 1.00 0.00 C ATOM 0 H VAL A 87 1.656 -2.602 -10.671 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.034 -2.803 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.463 -1.005 -11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.649 -0.047 -11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.762 -1.786 -11.497 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.775 -1.227 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.568 0.913 -10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.576 -0.213 -8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.846 -0.121 -9.899 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.581 -4.870 -10.905 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.764 -5.995 -11.806 1.00 0.00 C ATOM 1375 C ARG A 88 -1.843 -5.675 -12.842 1.00 0.00 C ATOM 1376 O ARG A 88 -2.757 -4.897 -12.573 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.164 -7.256 -11.036 1.00 0.00 C ATOM 1378 CG ARG A 88 0.069 -7.988 -10.505 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.272 -8.800 -9.253 1.00 0.00 C ATOM 1380 NE ARG A 88 -0.273 -10.245 -9.573 1.00 0.00 N ATOM 1381 CZ ARG A 88 -0.938 -11.170 -8.867 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -1.660 -10.806 -7.798 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -0.882 -12.459 -9.230 1.00 0.00 N ATOM 0 H ARG A 88 -0.430 -5.125 -9.929 1.00 0.00 H new ATOM 0 HA ARG A 88 0.186 -6.175 -12.310 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.818 -6.988 -10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.733 -7.919 -11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.463 -8.650 -11.276 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.853 -7.267 -10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.454 -8.594 -8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.249 -8.503 -8.871 1.00 0.00 H new ATOM 0 HE ARG A 88 0.266 -10.556 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.703 -9.825 -7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.166 -11.510 -7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.333 -12.736 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.388 -13.163 -8.692 1.00 0.00 H new