USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -31:sc= 0.124 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -120:sc= 0.4 USER MOD Single : A 62 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.11) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.059) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -2.25 (180deg=-2.83!) USER MOD Single : A 72 SER OG : rot 48:sc= -0.739 USER MOD Single : A 74 THR OG1 : rot 149:sc= 0.128 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.5! C(o=-1.5!,f=-4.6!) USER MOD Single : A 84 LYS NZ :NH3+ -110:sc= 0.0411 (180deg=-3.91!) USER MOD Single : A 85 ASN : amide:sc= 0.00163 K(o=0.0016,f=-0.66) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0.199 (180deg=0.196) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0734 F(o=-0.9,f=-0.073) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 98 MET CE :methyl -170:sc= -0.277 (180deg=-0.419) USER MOD Single : A 100 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-7.4!) USER MOD Single : A 105 HIS : no HD1:sc=-0.00768 X(o=-0.0077,f=0) USER MOD Single : A 108 THR OG1 : rot -70:sc= 1.24 USER MOD Single : A 109 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.82) USER MOD Single : A 110 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -1.634 -1.307 10.905 1.00 0.00 N ATOM 225 CA HIS A 19 -2.421 -1.732 9.755 1.00 0.00 C ATOM 226 C HIS A 19 -2.618 -3.243 9.738 1.00 0.00 C ATOM 227 O HIS A 19 -2.855 -3.819 8.691 1.00 0.00 O ATOM 228 CB HIS A 19 -1.761 -1.278 8.447 1.00 0.00 C ATOM 229 CG HIS A 19 -1.707 0.212 8.277 1.00 0.00 C ATOM 230 ND1 HIS A 19 -2.811 0.992 8.018 1.00 0.00 N ATOM 231 CD2 HIS A 19 -0.651 1.064 8.331 1.00 0.00 C ATOM 232 CE1 HIS A 19 -2.403 2.265 7.921 1.00 0.00 C ATOM 233 NE2 HIS A 19 -1.100 2.361 8.104 1.00 0.00 N ATOM 0 HA HIS A 19 -3.401 -1.262 9.842 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.747 -1.675 8.407 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.306 -1.710 7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.374 0.780 8.520 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.055 3.102 7.720 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.537 3.212 8.083 1.00 0.00 H new ATOM 240 N THR A 20 -2.480 -3.888 10.890 1.00 0.00 N ATOM 241 CA THR A 20 -2.639 -5.340 10.966 1.00 0.00 C ATOM 242 C THR A 20 -4.115 -5.752 10.899 1.00 0.00 C ATOM 243 O THR A 20 -4.904 -5.404 11.779 1.00 0.00 O ATOM 244 CB THR A 20 -2.029 -5.889 12.274 1.00 0.00 C ATOM 245 OG1 THR A 20 -0.699 -5.387 12.442 1.00 0.00 O ATOM 246 CG2 THR A 20 -1.994 -7.412 12.265 1.00 0.00 C ATOM 0 H THR A 20 -2.260 -3.436 11.778 1.00 0.00 H new ATOM 0 HA THR A 20 -2.115 -5.761 10.108 1.00 0.00 H new ATOM 0 HB THR A 20 -2.656 -5.559 13.102 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.320 -5.738 13.274 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.560 -7.771 13.198 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.008 -7.799 12.164 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.389 -7.757 11.427 1.00 0.00 H new ATOM 254 N LEU A 21 -4.478 -6.506 9.854 1.00 0.00 N ATOM 255 CA LEU A 21 -5.850 -6.984 9.672 1.00 0.00 C ATOM 256 C LEU A 21 -5.890 -8.156 8.684 1.00 0.00 C ATOM 257 O LEU A 21 -4.894 -8.450 8.026 1.00 0.00 O ATOM 258 CB LEU A 21 -6.760 -5.853 9.195 1.00 0.00 C ATOM 259 CG LEU A 21 -7.930 -5.518 10.130 1.00 0.00 C ATOM 260 CD1 LEU A 21 -7.956 -4.029 10.434 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.250 -5.961 9.514 1.00 0.00 C ATOM 0 H LEU A 21 -3.834 -6.798 9.119 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.216 -7.335 10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.157 -4.956 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.162 -6.119 8.217 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.790 -6.059 11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.791 -3.808 11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.022 -3.740 10.917 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.073 -3.470 9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.068 -5.715 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.399 -5.448 8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.230 -7.038 9.345 1.00 0.00 H new ATOM 273 N LEU A 22 -7.045 -8.825 8.601 1.00 0.00 N ATOM 274 CA LEU A 22 -7.216 -9.992 7.723 1.00 0.00 C ATOM 275 C LEU A 22 -7.082 -9.674 6.223 1.00 0.00 C ATOM 276 O LEU A 22 -6.334 -10.351 5.515 1.00 0.00 O ATOM 277 CB LEU A 22 -8.582 -10.638 7.989 1.00 0.00 C ATOM 278 CG LEU A 22 -8.911 -11.867 7.134 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.920 -12.990 7.399 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.333 -12.335 7.399 1.00 0.00 C ATOM 0 H LEU A 22 -7.880 -8.578 9.133 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.403 -10.677 7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.630 -10.925 9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.356 -9.888 7.828 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.831 -11.584 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.173 -13.852 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.913 -12.652 7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.963 -13.272 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.549 -13.208 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.439 -12.598 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.031 -11.535 7.152 1.00 0.00 H new ATOM 292 N PHE A 23 -7.796 -8.660 5.732 1.00 0.00 N ATOM 293 CA PHE A 23 -7.729 -8.316 4.303 1.00 0.00 C ATOM 294 C PHE A 23 -6.659 -7.267 4.041 1.00 0.00 C ATOM 295 O PHE A 23 -5.988 -7.282 3.008 1.00 0.00 O ATOM 296 CB PHE A 23 -9.085 -7.813 3.797 1.00 0.00 C ATOM 297 CG PHE A 23 -10.182 -8.838 3.884 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.068 -8.838 4.948 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.327 -9.802 2.898 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.076 -9.780 5.030 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.334 -10.746 2.973 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.209 -10.735 4.041 1.00 0.00 C ATOM 0 H PHE A 23 -8.417 -8.070 6.286 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.466 -9.224 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.375 -6.934 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.980 -7.494 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.970 -8.093 5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.645 -9.815 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.759 -9.769 5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.436 -11.491 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.996 -11.472 4.103 1.00 0.00 H new ATOM 312 N ASP A 24 -6.513 -6.357 4.986 1.00 0.00 N ATOM 313 CA ASP A 24 -5.518 -5.299 4.904 1.00 0.00 C ATOM 314 C ASP A 24 -4.347 -5.641 5.805 1.00 0.00 C ATOM 315 O ASP A 24 -4.197 -5.064 6.870 1.00 0.00 O ATOM 316 CB ASP A 24 -6.083 -3.905 5.241 1.00 0.00 C ATOM 317 CG ASP A 24 -6.949 -3.862 6.486 1.00 0.00 C ATOM 318 OD1 ASP A 24 -7.848 -4.718 6.619 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.739 -2.958 7.320 1.00 0.00 O ATOM 0 H ASP A 24 -7.080 -6.329 5.833 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.186 -5.241 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.252 -3.211 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.669 -3.550 4.393 1.00 0.00 H new ATOM 324 N LEU A 25 -3.579 -6.650 5.389 1.00 0.00 N ATOM 325 CA LEU A 25 -2.411 -7.134 6.131 1.00 0.00 C ATOM 326 C LEU A 25 -1.505 -5.975 6.582 1.00 0.00 C ATOM 327 O LEU A 25 -1.545 -4.893 5.991 1.00 0.00 O ATOM 328 CB LEU A 25 -1.608 -8.110 5.256 1.00 0.00 C ATOM 329 CG LEU A 25 -2.368 -9.368 4.817 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.516 -10.220 3.890 1.00 0.00 C ATOM 331 CD2 LEU A 25 -2.823 -10.179 6.023 1.00 0.00 C ATOM 0 H LEU A 25 -3.751 -7.158 4.522 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.770 -7.646 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.269 -7.580 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.717 -8.416 5.804 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.254 -9.049 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.077 -11.106 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.253 -9.642 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.606 -10.523 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.359 -11.065 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.954 -10.482 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.482 -9.571 6.643 1.00 0.00 H new ATOM 343 N PRO A 26 -0.697 -6.201 7.657 1.00 0.00 N ATOM 344 CA PRO A 26 0.233 -5.213 8.250 1.00 0.00 C ATOM 345 C PRO A 26 0.946 -4.302 7.236 1.00 0.00 C ATOM 346 O PRO A 26 0.978 -4.589 6.038 1.00 0.00 O ATOM 347 CB PRO A 26 1.267 -6.093 8.983 1.00 0.00 C ATOM 348 CG PRO A 26 0.799 -7.511 8.849 1.00 0.00 C ATOM 349 CD PRO A 26 -0.635 -7.460 8.407 1.00 0.00 C ATOM 0 HA PRO A 26 -0.314 -4.514 8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.258 -5.970 8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.343 -5.808 10.032 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.407 -8.051 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.891 -8.039 9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.897 -8.315 7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.320 -7.460 9.255 1.00 0.00 H new ATOM 357 N PRO A 27 1.575 -3.203 7.736 1.00 0.00 N ATOM 358 CA PRO A 27 2.280 -2.207 6.910 1.00 0.00 C ATOM 359 C PRO A 27 3.260 -2.781 5.890 1.00 0.00 C ATOM 360 O PRO A 27 3.774 -2.043 5.069 1.00 0.00 O ATOM 361 CB PRO A 27 3.048 -1.365 7.918 1.00 0.00 C ATOM 362 CG PRO A 27 2.251 -1.458 9.160 1.00 0.00 C ATOM 363 CD PRO A 27 1.629 -2.832 9.163 1.00 0.00 C ATOM 0 HA PRO A 27 1.553 -1.664 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.059 -1.746 8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.142 -0.332 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.881 -1.315 10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.484 -0.684 9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.227 -3.540 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.635 -2.819 9.610 1.00 0.00 H new ATOM 371 N ALA A 28 3.531 -4.075 5.948 1.00 0.00 N ATOM 372 CA ALA A 28 4.448 -4.696 5.006 1.00 0.00 C ATOM 373 C ALA A 28 3.993 -4.429 3.572 1.00 0.00 C ATOM 374 O ALA A 28 4.820 -4.231 2.683 1.00 0.00 O ATOM 375 CB ALA A 28 4.545 -6.192 5.264 1.00 0.00 C ATOM 0 H ALA A 28 3.131 -4.714 6.635 1.00 0.00 H new ATOM 0 HA ALA A 28 5.437 -4.260 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.236 -6.640 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.909 -6.364 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.560 -6.645 5.150 1.00 0.00 H new ATOM 381 N LEU A 29 2.677 -4.418 3.340 1.00 0.00 N ATOM 382 CA LEU A 29 2.167 -4.148 2.002 1.00 0.00 C ATOM 383 C LEU A 29 1.517 -2.763 1.875 1.00 0.00 C ATOM 384 O LEU A 29 2.140 -1.831 1.378 1.00 0.00 O ATOM 385 CB LEU A 29 1.171 -5.226 1.573 1.00 0.00 C ATOM 386 CG LEU A 29 1.265 -5.607 0.099 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.687 -6.026 -0.238 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.289 -6.720 -0.232 1.00 0.00 C ATOM 0 H LEU A 29 1.963 -4.589 4.048 1.00 0.00 H new ATOM 0 HA LEU A 29 3.032 -4.162 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.333 -6.117 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.160 -4.877 1.784 1.00 0.00 H new ATOM 0 HG LEU A 29 1.001 -4.738 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.746 -6.297 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.367 -5.199 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.968 -6.884 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.373 -6.976 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.519 -7.597 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.727 -6.388 -0.019 1.00 0.00 H new ATOM 400 N LEU A 30 0.279 -2.624 2.355 1.00 0.00 N ATOM 401 CA LEU A 30 -0.462 -1.359 2.248 1.00 0.00 C ATOM 402 C LEU A 30 0.223 -0.195 2.968 1.00 0.00 C ATOM 403 O LEU A 30 0.398 0.868 2.380 1.00 0.00 O ATOM 404 CB LEU A 30 -1.880 -1.542 2.812 1.00 0.00 C ATOM 405 CG LEU A 30 -2.772 -0.294 2.779 1.00 0.00 C ATOM 406 CD1 LEU A 30 -3.032 0.153 1.349 1.00 0.00 C ATOM 407 CD2 LEU A 30 -4.083 -0.558 3.503 1.00 0.00 C ATOM 0 H LEU A 30 -0.234 -3.371 2.823 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.496 -1.104 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.375 -2.335 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.800 -1.883 3.844 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.247 0.511 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.667 1.039 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.085 0.388 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.531 -0.647 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.704 0.337 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.607 -1.381 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.879 -0.820 4.541 1.00 0.00 H new ATOM 419 N GLY A 31 0.630 -0.402 4.218 1.00 0.00 N ATOM 420 CA GLY A 31 1.251 0.675 4.982 1.00 0.00 C ATOM 421 C GLY A 31 2.539 1.213 4.375 1.00 0.00 C ATOM 422 O GLY A 31 2.681 2.420 4.186 1.00 0.00 O ATOM 0 H GLY A 31 0.543 -1.288 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.538 1.494 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.461 0.316 5.990 1.00 0.00 H new ATOM 426 N GLU A 32 3.468 0.321 4.058 1.00 0.00 N ATOM 427 CA GLU A 32 4.754 0.711 3.492 1.00 0.00 C ATOM 428 C GLU A 32 4.630 1.226 2.061 1.00 0.00 C ATOM 429 O GLU A 32 5.250 2.226 1.710 1.00 0.00 O ATOM 430 CB GLU A 32 5.727 -0.470 3.556 1.00 0.00 C ATOM 431 CG GLU A 32 7.169 -0.113 3.213 1.00 0.00 C ATOM 432 CD GLU A 32 7.478 -0.255 1.736 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.786 -1.040 1.058 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.417 0.416 1.261 1.00 0.00 O ATOM 0 H GLU A 32 3.354 -0.685 4.184 1.00 0.00 H new ATOM 0 HA GLU A 32 5.140 1.537 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.699 -0.895 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.384 -1.246 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.367 0.913 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.842 -0.754 3.783 1.00 0.00 H new ATOM 441 N LEU A 33 3.836 0.551 1.236 1.00 0.00 N ATOM 442 CA LEU A 33 3.683 0.967 -0.154 1.00 0.00 C ATOM 443 C LEU A 33 2.966 2.313 -0.276 1.00 0.00 C ATOM 444 O LEU A 33 3.306 3.114 -1.142 1.00 0.00 O ATOM 445 CB LEU A 33 2.979 -0.109 -0.992 1.00 0.00 C ATOM 446 CG LEU A 33 3.775 -1.406 -1.180 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.944 -2.439 -1.925 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.083 -1.138 -1.907 1.00 0.00 C ATOM 0 H LEU A 33 3.296 -0.273 1.500 1.00 0.00 H new ATOM 0 HA LEU A 33 4.689 1.097 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.026 -0.350 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.753 0.307 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 33 4.014 -1.806 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.525 -3.353 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.040 -2.658 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.670 -2.048 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.630 -2.073 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.873 -0.710 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.685 -0.438 -1.327 1.00 0.00 H new ATOM 460 N CYS A 34 1.965 2.564 0.569 1.00 0.00 N ATOM 461 CA CYS A 34 1.245 3.835 0.502 1.00 0.00 C ATOM 462 C CYS A 34 2.067 4.986 1.093 1.00 0.00 C ATOM 463 O CYS A 34 1.952 6.126 0.649 1.00 0.00 O ATOM 464 CB CYS A 34 -0.109 3.750 1.220 1.00 0.00 C ATOM 465 SG CYS A 34 -0.007 3.758 3.027 1.00 0.00 S ATOM 0 H CYS A 34 1.640 1.921 1.291 1.00 0.00 H new ATOM 0 HA CYS A 34 1.073 4.039 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.728 4.589 0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.617 2.840 0.902 1.00 0.00 H new ATOM 0 HG CYS A 34 1.105 3.199 3.401 1.00 0.00 H new ATOM 471 N ALA A 35 2.896 4.684 2.095 1.00 0.00 N ATOM 472 CA ALA A 35 3.707 5.709 2.753 1.00 0.00 C ATOM 473 C ALA A 35 5.037 5.982 2.050 1.00 0.00 C ATOM 474 O ALA A 35 5.323 7.118 1.671 1.00 0.00 O ATOM 475 CB ALA A 35 3.963 5.319 4.201 1.00 0.00 C ATOM 0 H ALA A 35 3.023 3.743 2.466 1.00 0.00 H new ATOM 0 HA ALA A 35 3.132 6.634 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.567 6.087 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.012 5.223 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.493 4.367 4.233 1.00 0.00 H new ATOM 481 N VAL A 36 5.848 4.940 1.881 1.00 0.00 N ATOM 482 CA VAL A 36 7.165 5.077 1.259 1.00 0.00 C ATOM 483 C VAL A 36 7.080 5.534 -0.195 1.00 0.00 C ATOM 484 O VAL A 36 7.818 6.430 -0.610 1.00 0.00 O ATOM 485 CB VAL A 36 7.970 3.759 1.352 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.245 3.828 0.521 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.302 3.446 2.806 1.00 0.00 C ATOM 0 H VAL A 36 5.616 3.989 2.167 1.00 0.00 H new ATOM 0 HA VAL A 36 7.688 5.852 1.819 1.00 0.00 H new ATOM 0 HB VAL A 36 7.351 2.958 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.787 2.887 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.989 4.004 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.872 4.643 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.868 2.516 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.897 4.257 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.379 3.340 3.375 1.00 0.00 H new ATOM 497 N LEU A 37 6.173 4.940 -0.968 1.00 0.00 N ATOM 498 CA LEU A 37 6.042 5.310 -2.375 1.00 0.00 C ATOM 499 C LEU A 37 5.393 6.681 -2.526 1.00 0.00 C ATOM 500 O LEU A 37 5.498 7.311 -3.573 1.00 0.00 O ATOM 501 CB LEU A 37 5.265 4.260 -3.171 1.00 0.00 C ATOM 502 CG LEU A 37 5.869 2.857 -3.154 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.069 1.928 -4.043 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.325 2.898 -3.585 1.00 0.00 C ATOM 0 H LEU A 37 5.530 4.214 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 37 7.050 5.358 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.250 4.207 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.189 4.594 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 37 5.829 2.473 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.512 0.932 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.041 1.876 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.078 2.306 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.738 1.890 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.394 3.300 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.889 3.534 -2.902 1.00 0.00 H new ATOM 516 N ASP A 38 4.704 7.139 -1.485 1.00 0.00 N ATOM 517 CA ASP A 38 4.061 8.451 -1.517 1.00 0.00 C ATOM 518 C ASP A 38 5.110 9.547 -1.689 1.00 0.00 C ATOM 519 O ASP A 38 4.877 10.552 -2.360 1.00 0.00 O ATOM 520 CB ASP A 38 3.258 8.694 -0.235 1.00 0.00 C ATOM 521 CG ASP A 38 2.337 9.890 -0.349 1.00 0.00 C ATOM 522 OD1 ASP A 38 1.945 10.230 -1.482 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.000 10.483 0.698 1.00 0.00 O ATOM 0 H ASP A 38 4.576 6.625 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 38 3.376 8.475 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.669 7.806 -0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.945 8.846 0.598 1.00 0.00 H new ATOM 528 N SER A 39 6.267 9.340 -1.069 1.00 0.00 N ATOM 529 CA SER A 39 7.369 10.292 -1.145 1.00 0.00 C ATOM 530 C SER A 39 8.257 10.007 -2.358 1.00 0.00 C ATOM 531 O SER A 39 9.321 10.608 -2.515 1.00 0.00 O ATOM 532 CB SER A 39 8.203 10.234 0.136 1.00 0.00 C ATOM 533 OG SER A 39 7.425 10.585 1.267 1.00 0.00 O ATOM 0 H SER A 39 6.466 8.515 -0.504 1.00 0.00 H new ATOM 0 HA SER A 39 6.948 11.291 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.607 9.230 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.053 10.911 0.051 1.00 0.00 H new ATOM 0 HG SER A 39 7.980 10.539 2.073 1.00 0.00 H new ATOM 539 N CYS A 40 7.814 9.077 -3.204 1.00 0.00 N ATOM 540 CA CYS A 40 8.557 8.694 -4.400 1.00 0.00 C ATOM 541 C CYS A 40 8.704 9.860 -5.370 1.00 0.00 C ATOM 542 O CYS A 40 7.792 10.669 -5.544 1.00 0.00 O ATOM 543 CB CYS A 40 7.883 7.520 -5.107 1.00 0.00 C ATOM 544 SG CYS A 40 8.757 6.944 -6.573 1.00 0.00 S ATOM 0 H CYS A 40 6.936 8.572 -3.079 1.00 0.00 H new ATOM 0 HA CYS A 40 9.552 8.392 -4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.789 6.692 -4.404 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.872 7.813 -5.391 1.00 0.00 H new ATOM 0 HG CYS A 40 7.982 7.053 -7.611 1.00 0.00 H new ATOM 550 N ASP A 41 9.862 9.924 -6.005 1.00 0.00 N ATOM 551 CA ASP A 41 10.163 10.983 -6.957 1.00 0.00 C ATOM 552 C ASP A 41 10.699 10.380 -8.249 1.00 0.00 C ATOM 553 O ASP A 41 11.637 10.898 -8.852 1.00 0.00 O ATOM 554 CB ASP A 41 11.185 11.956 -6.361 1.00 0.00 C ATOM 555 CG ASP A 41 11.074 13.343 -6.958 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.935 13.782 -7.230 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.122 13.996 -7.147 1.00 0.00 O ATOM 0 H ASP A 41 10.616 9.249 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 41 9.248 11.533 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.041 12.015 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.191 11.570 -6.528 1.00 0.00 H new ATOM 562 N GLY A 42 10.096 9.266 -8.653 1.00 0.00 N ATOM 563 CA GLY A 42 10.505 8.586 -9.870 1.00 0.00 C ATOM 564 C GLY A 42 11.514 7.478 -9.623 1.00 0.00 C ATOM 565 O GLY A 42 11.785 6.680 -10.518 1.00 0.00 O ATOM 0 H GLY A 42 9.326 8.819 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.625 8.166 -10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.934 9.313 -10.559 1.00 0.00 H new ATOM 569 N ALA A 43 12.074 7.428 -8.412 1.00 0.00 N ATOM 570 CA ALA A 43 13.054 6.399 -8.059 1.00 0.00 C ATOM 571 C ALA A 43 12.440 4.999 -8.095 1.00 0.00 C ATOM 572 O ALA A 43 13.053 4.054 -8.589 1.00 0.00 O ATOM 573 CB ALA A 43 13.643 6.682 -6.684 1.00 0.00 C ATOM 0 H ALA A 43 11.866 8.086 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 43 13.850 6.430 -8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.370 5.910 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.135 7.655 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.846 6.685 -5.940 1.00 0.00 H new ATOM 579 N LEU A 44 11.228 4.876 -7.562 1.00 0.00 N ATOM 580 CA LEU A 44 10.521 3.596 -7.550 1.00 0.00 C ATOM 581 C LEU A 44 9.282 3.663 -8.432 1.00 0.00 C ATOM 582 O LEU A 44 8.777 2.642 -8.896 1.00 0.00 O ATOM 583 CB LEU A 44 10.128 3.207 -6.114 1.00 0.00 C ATOM 584 CG LEU A 44 11.310 3.015 -5.152 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.819 2.767 -3.734 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.191 1.864 -5.615 1.00 0.00 C ATOM 0 H LEU A 44 10.714 5.645 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 44 11.191 2.833 -7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.471 3.978 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.552 2.283 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 44 11.902 3.931 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.674 2.634 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.229 3.620 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.202 1.869 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.024 1.742 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.605 0.946 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.577 2.079 -6.612 1.00 0.00 H new ATOM 598 N GLY A 45 8.807 4.883 -8.662 1.00 0.00 N ATOM 599 CA GLY A 45 7.629 5.095 -9.480 1.00 0.00 C ATOM 600 C GLY A 45 6.339 4.793 -8.739 1.00 0.00 C ATOM 601 O GLY A 45 6.056 3.633 -8.444 1.00 0.00 O ATOM 0 H GLY A 45 9.223 5.737 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.612 6.129 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.690 4.465 -10.367 1.00 0.00 H new ATOM 605 N TRP A 46 5.560 5.833 -8.423 1.00 0.00 N ATOM 606 CA TRP A 46 4.273 5.647 -7.734 1.00 0.00 C ATOM 607 C TRP A 46 3.408 4.620 -8.473 1.00 0.00 C ATOM 608 O TRP A 46 2.909 3.666 -7.875 1.00 0.00 O ATOM 609 CB TRP A 46 3.521 6.984 -7.618 1.00 0.00 C ATOM 610 CG TRP A 46 3.667 7.878 -8.819 1.00 0.00 C ATOM 611 CD1 TRP A 46 2.869 7.907 -9.928 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.675 8.876 -9.027 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.324 8.851 -10.814 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.430 9.461 -10.284 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.762 9.330 -8.274 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.231 10.475 -10.803 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.555 10.337 -8.790 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.286 10.900 -10.043 1.00 0.00 C ATOM 0 H TRP A 46 5.793 6.804 -8.630 1.00 0.00 H new ATOM 0 HA TRP A 46 4.478 5.274 -6.731 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.462 6.780 -7.457 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.881 7.516 -6.737 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.005 7.278 -10.085 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.906 9.064 -11.720 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.978 8.901 -7.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.027 10.910 -11.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.397 10.696 -8.217 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.925 11.686 -10.418 1.00 0.00 H new ATOM 629 N ARG A 47 3.225 4.835 -9.772 1.00 0.00 N ATOM 630 CA ARG A 47 2.459 3.921 -10.615 1.00 0.00 C ATOM 631 C ARG A 47 3.308 2.755 -11.099 1.00 0.00 C ATOM 632 O ARG A 47 2.820 1.920 -11.831 1.00 0.00 O ATOM 633 CB ARG A 47 1.851 4.637 -11.828 1.00 0.00 C ATOM 634 CG ARG A 47 2.884 5.292 -12.729 1.00 0.00 C ATOM 635 CD ARG A 47 2.234 6.099 -13.841 1.00 0.00 C ATOM 636 NE ARG A 47 3.231 6.761 -14.681 1.00 0.00 N ATOM 637 CZ ARG A 47 2.931 7.600 -15.668 1.00 0.00 C ATOM 638 NH1 ARG A 47 3.902 8.170 -16.373 1.00 0.00 N ATOM 639 NH2 ARG A 47 1.663 7.866 -15.953 1.00 0.00 N ATOM 0 H ARG A 47 3.601 5.643 -10.269 1.00 0.00 H new ATOM 0 HA ARG A 47 1.652 3.538 -9.990 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.275 3.919 -12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.152 5.397 -11.478 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.524 5.943 -12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.525 4.525 -13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.618 5.442 -14.456 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.569 6.846 -13.408 1.00 0.00 H new ATOM 0 HE ARG A 47 4.216 6.568 -14.499 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.877 7.964 -16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.672 8.814 -17.130 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.916 7.427 -15.415 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.435 8.510 -16.710 1.00 0.00 H new ATOM 653 N GLY A 48 4.577 2.701 -10.707 1.00 0.00 N ATOM 654 CA GLY A 48 5.444 1.632 -11.182 1.00 0.00 C ATOM 655 C GLY A 48 4.922 0.249 -10.849 1.00 0.00 C ATOM 656 O GLY A 48 4.892 -0.627 -11.712 1.00 0.00 O ATOM 0 H GLY A 48 5.019 3.369 -10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.560 1.719 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.435 1.755 -10.744 1.00 0.00 H new ATOM 660 N LEU A 49 4.507 0.046 -9.605 1.00 0.00 N ATOM 661 CA LEU A 49 3.971 -1.245 -9.194 1.00 0.00 C ATOM 662 C LEU A 49 2.568 -1.475 -9.766 1.00 0.00 C ATOM 663 O LEU A 49 2.254 -2.567 -10.246 1.00 0.00 O ATOM 664 CB LEU A 49 3.937 -1.344 -7.668 1.00 0.00 C ATOM 665 CG LEU A 49 5.302 -1.251 -6.974 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.131 -1.322 -5.470 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.227 -2.356 -7.457 1.00 0.00 C ATOM 0 H LEU A 49 4.531 0.752 -8.869 1.00 0.00 H new ATOM 0 HA LEU A 49 4.628 -2.019 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.297 -0.550 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.471 -2.290 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 49 5.754 -0.293 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.107 -1.255 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.504 -0.495 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.659 -2.267 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.189 -2.271 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.783 -3.326 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.373 -2.264 -8.533 1.00 0.00 H new ATOM 679 N ALA A 50 1.730 -0.435 -9.713 1.00 0.00 N ATOM 680 CA ALA A 50 0.357 -0.518 -10.220 1.00 0.00 C ATOM 681 C ALA A 50 0.288 -0.743 -11.729 1.00 0.00 C ATOM 682 O ALA A 50 -0.536 -1.523 -12.209 1.00 0.00 O ATOM 683 CB ALA A 50 -0.407 0.743 -9.867 1.00 0.00 C ATOM 0 H ALA A 50 1.979 0.474 -9.324 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.097 -1.386 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.425 0.670 -10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.433 0.861 -8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.087 1.605 -10.315 1.00 0.00 H new ATOM 689 N GLU A 51 1.161 -0.060 -12.462 1.00 0.00 N ATOM 690 CA GLU A 51 1.193 -0.134 -13.916 1.00 0.00 C ATOM 691 C GLU A 51 1.469 -1.560 -14.392 1.00 0.00 C ATOM 692 O GLU A 51 0.841 -2.038 -15.337 1.00 0.00 O ATOM 693 CB GLU A 51 2.262 0.821 -14.473 1.00 0.00 C ATOM 694 CG GLU A 51 2.342 0.847 -15.996 1.00 0.00 C ATOM 695 CD GLU A 51 1.087 1.402 -16.648 1.00 0.00 C ATOM 696 OE1 GLU A 51 0.317 2.105 -15.960 1.00 0.00 O ATOM 697 OE2 GLU A 51 0.877 1.137 -17.849 1.00 0.00 O ATOM 0 H GLU A 51 1.866 0.560 -12.064 1.00 0.00 H new ATOM 0 HA GLU A 51 0.214 0.166 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.056 1.829 -14.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.234 0.533 -14.074 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.199 1.449 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.518 -0.164 -16.362 1.00 0.00 H new ATOM 704 N ARG A 52 2.428 -2.225 -13.746 1.00 0.00 N ATOM 705 CA ARG A 52 2.779 -3.597 -14.104 1.00 0.00 C ATOM 706 C ARG A 52 1.629 -4.565 -13.842 1.00 0.00 C ATOM 707 O ARG A 52 1.384 -5.469 -14.642 1.00 0.00 O ATOM 708 CB ARG A 52 4.023 -4.063 -13.341 1.00 0.00 C ATOM 709 CG ARG A 52 5.311 -3.406 -13.805 1.00 0.00 C ATOM 710 CD ARG A 52 6.502 -3.916 -13.011 1.00 0.00 C ATOM 711 NE ARG A 52 7.759 -3.323 -13.462 1.00 0.00 N ATOM 712 CZ ARG A 52 8.471 -3.780 -14.489 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.608 -3.184 -14.825 1.00 0.00 N ATOM 714 NH2 ARG A 52 8.048 -4.831 -15.181 1.00 0.00 N ATOM 0 H ARG A 52 2.972 -1.837 -12.976 1.00 0.00 H new ATOM 0 HA ARG A 52 2.992 -3.598 -15.173 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.884 -3.858 -12.279 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.119 -5.144 -13.447 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.464 -3.607 -14.865 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.232 -2.325 -13.694 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.355 -3.692 -11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.560 -5.001 -13.102 1.00 0.00 H new ATOM 0 HE ARG A 52 8.112 -2.509 -12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.936 -2.376 -14.296 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.154 -3.534 -15.612 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.174 -5.291 -14.926 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.597 -5.178 -15.968 1.00 0.00 H new ATOM 851 N ASP A 61 -4.852 8.840 -14.741 1.00 0.00 N ATOM 852 CA ASP A 61 -5.238 10.199 -14.367 1.00 0.00 C ATOM 853 C ASP A 61 -5.547 10.273 -12.872 1.00 0.00 C ATOM 854 O ASP A 61 -5.145 11.215 -12.191 1.00 0.00 O ATOM 855 CB ASP A 61 -6.459 10.651 -15.178 1.00 0.00 C ATOM 856 CG ASP A 61 -6.748 12.133 -15.029 1.00 0.00 C ATOM 857 OD1 ASP A 61 -5.794 12.904 -14.802 1.00 0.00 O ATOM 858 OD2 ASP A 61 -7.928 12.518 -15.151 1.00 0.00 O ATOM 0 HA ASP A 61 -4.404 10.866 -14.587 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.295 10.421 -16.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.332 10.081 -14.860 1.00 0.00 H new ATOM 863 N HIS A 62 -6.257 9.260 -12.369 1.00 0.00 N ATOM 864 CA HIS A 62 -6.617 9.193 -10.955 1.00 0.00 C ATOM 865 C HIS A 62 -5.371 8.968 -10.098 1.00 0.00 C ATOM 866 O HIS A 62 -5.320 9.389 -8.938 1.00 0.00 O ATOM 867 CB HIS A 62 -7.649 8.089 -10.710 1.00 0.00 C ATOM 868 CG HIS A 62 -8.524 8.350 -9.521 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.446 9.373 -9.460 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.610 7.700 -8.333 1.00 0.00 C ATOM 871 CE1 HIS A 62 -10.048 9.314 -8.264 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.577 8.317 -7.543 1.00 0.00 N ATOM 0 H HIS A 62 -6.594 8.473 -12.924 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.065 10.144 -10.669 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.274 7.982 -11.596 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.130 7.141 -10.570 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.022 6.841 -8.046 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.819 9.995 -7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.862 8.052 -6.600 1.00 0.00 H new ATOM 879 N ILE A 63 -4.370 8.295 -10.675 1.00 0.00 N ATOM 880 CA ILE A 63 -3.109 8.034 -9.983 1.00 0.00 C ATOM 881 C ILE A 63 -2.447 9.362 -9.601 1.00 0.00 C ATOM 882 O ILE A 63 -1.908 9.519 -8.505 1.00 0.00 O ATOM 883 CB ILE A 63 -2.141 7.191 -10.854 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.662 5.757 -10.987 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.734 7.190 -10.268 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.929 4.934 -12.026 1.00 0.00 C ATOM 0 H ILE A 63 -4.412 7.921 -11.623 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.331 7.459 -9.084 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.094 7.645 -11.844 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.581 5.260 -10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.721 5.787 -11.242 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.077 6.591 -10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.359 8.212 -10.221 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.758 6.766 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.354 3.931 -12.062 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.031 5.407 -13.003 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.873 4.871 -11.762 1.00 0.00 H new ATOM 898 N GLU A 64 -2.473 10.306 -10.527 1.00 0.00 N ATOM 899 CA GLU A 64 -1.913 11.629 -10.287 1.00 0.00 C ATOM 900 C GLU A 64 -2.753 12.410 -9.265 1.00 0.00 C ATOM 901 O GLU A 64 -2.222 13.178 -8.470 1.00 0.00 O ATOM 902 CB GLU A 64 -1.824 12.409 -11.599 1.00 0.00 C ATOM 903 CG GLU A 64 -0.777 11.862 -12.561 1.00 0.00 C ATOM 904 CD GLU A 64 -0.811 12.540 -13.918 1.00 0.00 C ATOM 905 OE1 GLU A 64 -1.783 13.273 -14.194 1.00 0.00 O ATOM 906 OE2 GLU A 64 0.137 12.335 -14.704 1.00 0.00 O ATOM 0 H GLU A 64 -2.877 10.182 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.911 11.503 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.798 12.394 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.594 13.451 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.213 11.987 -12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.935 10.791 -12.691 1.00 0.00 H new ATOM 913 N LYS A 65 -4.071 12.216 -9.317 1.00 0.00 N ATOM 914 CA LYS A 65 -5.002 12.926 -8.431 1.00 0.00 C ATOM 915 C LYS A 65 -4.816 12.628 -6.931 1.00 0.00 C ATOM 916 O LYS A 65 -4.774 13.557 -6.124 1.00 0.00 O ATOM 917 CB LYS A 65 -6.439 12.589 -8.838 1.00 0.00 C ATOM 918 CG LYS A 65 -6.847 13.176 -10.181 1.00 0.00 C ATOM 919 CD LYS A 65 -8.269 12.788 -10.553 1.00 0.00 C ATOM 920 CE LYS A 65 -8.676 13.392 -11.886 1.00 0.00 C ATOM 921 NZ LYS A 65 -10.063 13.012 -12.270 1.00 0.00 N ATOM 0 H LYS A 65 -4.522 11.571 -9.965 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.785 13.987 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.552 11.506 -8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.120 12.954 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.763 14.262 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.161 12.829 -10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.350 11.702 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.955 13.123 -9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.600 14.478 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.983 13.063 -12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.301 13.445 -13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.130 11.977 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.728 13.348 -11.545 1.00 0.00 H new ATOM 935 N GLU A 66 -4.703 11.353 -6.543 1.00 0.00 N ATOM 936 CA GLU A 66 -4.554 11.024 -5.115 1.00 0.00 C ATOM 937 C GLU A 66 -3.097 10.987 -4.662 1.00 0.00 C ATOM 938 O GLU A 66 -2.833 10.766 -3.482 1.00 0.00 O ATOM 939 CB GLU A 66 -5.250 9.709 -4.723 1.00 0.00 C ATOM 940 CG GLU A 66 -6.519 9.415 -5.512 1.00 0.00 C ATOM 941 CD GLU A 66 -7.366 8.337 -4.865 1.00 0.00 C ATOM 942 OE1 GLU A 66 -8.114 8.662 -3.919 1.00 0.00 O ATOM 943 OE2 GLU A 66 -7.280 7.170 -5.301 1.00 0.00 O ATOM 0 H GLU A 66 -4.711 10.551 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.054 11.841 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.550 8.885 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.495 9.743 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.106 10.329 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.252 9.106 -6.522 1.00 0.00 H new ATOM 950 N VAL A 67 -2.148 11.172 -5.579 1.00 0.00 N ATOM 951 CA VAL A 67 -0.730 11.138 -5.210 1.00 0.00 C ATOM 952 C VAL A 67 -0.416 12.174 -4.118 1.00 0.00 C ATOM 953 O VAL A 67 0.439 11.949 -3.267 1.00 0.00 O ATOM 954 CB VAL A 67 0.198 11.343 -6.438 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.282 12.807 -6.849 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.587 10.786 -6.155 1.00 0.00 C ATOM 0 H VAL A 67 -2.329 11.344 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.531 10.143 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.239 10.795 -7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.941 12.906 -7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.713 13.170 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.678 13.395 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.224 10.938 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.017 11.301 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.515 9.720 -5.940 1.00 0.00 H new ATOM 966 N ASP A 68 -1.129 13.299 -4.139 1.00 0.00 N ATOM 967 CA ASP A 68 -0.944 14.347 -3.136 1.00 0.00 C ATOM 968 C ASP A 68 -1.848 14.104 -1.928 1.00 0.00 C ATOM 969 O ASP A 68 -1.779 14.822 -0.933 1.00 0.00 O ATOM 970 CB ASP A 68 -1.233 15.732 -3.727 1.00 0.00 C ATOM 971 CG ASP A 68 -0.171 16.188 -4.708 1.00 0.00 C ATOM 972 OD1 ASP A 68 0.923 15.584 -4.727 1.00 0.00 O ATOM 973 OD2 ASP A 68 -0.432 17.152 -5.458 1.00 0.00 O ATOM 0 H ASP A 68 -1.840 13.508 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 68 0.097 14.315 -2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.200 15.712 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.309 16.458 -2.918 1.00 0.00 H new ATOM 978 N GLN A 69 -2.689 13.078 -2.032 1.00 0.00 N ATOM 979 CA GLN A 69 -3.635 12.736 -0.973 1.00 0.00 C ATOM 980 C GLN A 69 -3.207 11.477 -0.216 1.00 0.00 C ATOM 981 O GLN A 69 -4.032 10.825 0.425 1.00 0.00 O ATOM 982 CB GLN A 69 -5.036 12.532 -1.559 1.00 0.00 C ATOM 983 CG GLN A 69 -5.584 13.748 -2.293 1.00 0.00 C ATOM 984 CD GLN A 69 -5.700 14.972 -1.405 1.00 0.00 C ATOM 985 OE1 GLN A 69 -5.062 15.993 -1.651 1.00 0.00 O ATOM 986 NE2 GLN A 69 -6.518 14.875 -0.366 1.00 0.00 N ATOM 0 H GLN A 69 -2.734 12.465 -2.846 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.650 13.567 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.011 11.686 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.721 12.268 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.935 13.979 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.566 13.507 -2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.029 14.008 -0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.636 15.667 0.266 1.00 0.00 H new ATOM 995 N GLY A 70 -1.922 11.141 -0.279 1.00 0.00 N ATOM 996 CA GLY A 70 -1.436 9.957 0.413 1.00 0.00 C ATOM 997 C GLY A 70 -1.164 8.769 -0.497 1.00 0.00 C ATOM 998 O GLY A 70 -1.193 7.632 -0.026 1.00 0.00 O ATOM 0 H GLY A 70 -1.212 11.662 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.518 10.211 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.168 9.664 1.165 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.945 9.048 -1.796 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.612 8.034 -2.822 1.00 0.00 C ATOM 1004 C LYS A 71 -1.851 7.529 -3.554 1.00 0.00 C ATOM 1005 O LYS A 71 -2.926 7.383 -2.979 1.00 0.00 O ATOM 1006 CB LYS A 71 0.170 6.838 -2.241 1.00 0.00 C ATOM 1007 CG LYS A 71 0.363 5.665 -3.206 1.00 0.00 C ATOM 1008 CD LYS A 71 1.158 6.054 -4.450 1.00 0.00 C ATOM 1009 CE LYS A 71 2.566 6.464 -4.107 1.00 0.00 C ATOM 1010 NZ LYS A 71 2.862 7.860 -4.530 1.00 0.00 N ATOM 0 H LYS A 71 -0.994 9.996 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 71 0.032 8.546 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.150 7.187 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.351 6.478 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.877 4.855 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.612 5.283 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.183 5.213 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.655 6.874 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.718 6.372 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.269 5.783 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.889 8.023 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.520 8.008 -5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.384 8.526 -3.889 1.00 0.00 H new ATOM 1024 N SER A 72 -1.680 7.294 -4.848 1.00 0.00 N ATOM 1025 CA SER A 72 -2.733 6.769 -5.692 1.00 0.00 C ATOM 1026 C SER A 72 -2.211 5.591 -6.502 1.00 0.00 C ATOM 1027 O SER A 72 -2.948 4.671 -6.811 1.00 0.00 O ATOM 1028 CB SER A 72 -3.245 7.845 -6.628 1.00 0.00 C ATOM 1029 OG SER A 72 -4.537 7.530 -7.114 1.00 0.00 O ATOM 0 H SER A 72 -0.802 7.464 -5.339 1.00 0.00 H new ATOM 0 HA SER A 72 -3.553 6.434 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.273 8.801 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.557 7.960 -7.465 1.00 0.00 H new ATOM 0 HG SER A 72 -5.111 7.261 -6.367 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.926 5.621 -6.848 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.353 4.534 -7.617 1.00 0.00 C ATOM 1037 C GLY A 73 -0.576 3.185 -6.961 1.00 0.00 C ATOM 1038 O GLY A 73 -1.265 2.328 -7.508 1.00 0.00 O ATOM 0 H GLY A 73 -0.278 6.372 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.792 4.527 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.717 4.703 -7.740 1.00 0.00 H new ATOM 1042 N THR A 74 -0.020 3.001 -5.777 1.00 0.00 N ATOM 1043 CA THR A 74 -0.180 1.756 -5.056 1.00 0.00 C ATOM 1044 C THR A 74 -1.430 1.753 -4.178 1.00 0.00 C ATOM 1045 O THR A 74 -2.105 0.730 -4.054 1.00 0.00 O ATOM 1046 CB THR A 74 1.060 1.464 -4.192 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.705 2.694 -3.838 1.00 0.00 O ATOM 1048 CG2 THR A 74 2.032 0.563 -4.938 1.00 0.00 C ATOM 0 H THR A 74 0.546 3.700 -5.296 1.00 0.00 H new ATOM 0 HA THR A 74 -0.295 0.972 -5.804 1.00 0.00 H new ATOM 0 HB THR A 74 0.740 0.951 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.136 2.597 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.902 0.368 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.541 -0.379 -5.181 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.350 1.054 -5.858 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.737 2.902 -3.573 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.891 3.017 -2.680 1.00 0.00 C ATOM 1058 C ARG A 75 -4.211 2.747 -3.409 1.00 0.00 C ATOM 1059 O ARG A 75 -5.044 1.983 -2.921 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.938 4.405 -2.035 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.000 4.519 -0.959 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.995 5.880 -0.288 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.009 5.971 0.759 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.210 7.057 1.498 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.153 7.062 2.433 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -4.466 8.137 1.303 1.00 0.00 N ATOM 0 H ARG A 75 -1.204 3.764 -3.685 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.770 2.259 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.964 4.632 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.127 5.152 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.981 4.337 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.838 3.745 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.011 6.070 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.172 6.654 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.596 5.155 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.725 6.231 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.306 7.897 2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.740 8.134 0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.619 8.971 1.870 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.392 3.366 -4.575 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.614 3.184 -5.359 1.00 0.00 C ATOM 1082 C GLU A 76 -5.755 1.735 -5.804 1.00 0.00 C ATOM 1083 O GLU A 76 -6.852 1.185 -5.811 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.628 4.111 -6.582 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.878 3.985 -7.436 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.804 4.789 -8.720 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.771 5.450 -8.955 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.779 4.748 -9.498 1.00 0.00 O ATOM 0 H GLU A 76 -3.710 3.996 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.459 3.442 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.533 5.143 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.755 3.896 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.040 2.935 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.741 4.314 -6.857 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.639 1.133 -6.194 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.624 -0.254 -6.644 1.00 0.00 C ATOM 1097 C LEU A 77 -5.092 -1.201 -5.534 1.00 0.00 C ATOM 1098 O LEU A 77 -5.909 -2.092 -5.769 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.207 -0.634 -7.088 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.032 -2.066 -7.598 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -3.852 -2.290 -8.861 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.562 -2.362 -7.846 1.00 0.00 C ATOM 0 H LEU A 77 -3.726 1.587 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.312 -0.350 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.897 0.053 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.530 -0.482 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.396 -2.754 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.714 -3.314 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.907 -2.119 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.523 -1.597 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.453 -3.384 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.172 -1.669 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.005 -2.245 -6.916 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.562 -1.001 -4.329 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.915 -1.839 -3.183 1.00 0.00 C ATOM 1116 C LEU A 78 -6.348 -1.572 -2.694 1.00 0.00 C ATOM 1117 O LEU A 78 -7.084 -2.502 -2.370 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.910 -1.613 -2.044 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.451 -1.948 -2.389 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.541 -1.695 -1.200 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.325 -3.389 -2.861 1.00 0.00 C ATOM 0 H LEU A 78 -3.886 -0.266 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.873 -2.880 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.964 -0.569 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.213 -2.216 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.139 -1.292 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.514 -1.940 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.601 -0.645 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.855 -2.318 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.283 -3.604 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.663 -4.061 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.939 -3.536 -3.750 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.746 -0.303 -2.678 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.084 0.091 -2.215 1.00 0.00 C ATOM 1135 C TRP A 79 -9.157 -0.062 -3.293 1.00 0.00 C ATOM 1136 O TRP A 79 -10.341 0.143 -3.023 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.073 1.531 -1.697 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.509 1.668 -0.314 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -6.249 2.067 0.024 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.193 1.410 0.919 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -6.106 2.073 1.390 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.285 1.673 1.962 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.485 0.985 1.241 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.629 1.522 3.303 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -9.824 0.834 2.573 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.900 1.103 3.590 1.00 0.00 C ATOM 0 H TRP A 79 -6.162 0.477 -2.981 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.341 -0.590 -1.404 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.491 2.150 -2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.092 1.919 -1.705 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.476 2.339 -0.680 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.260 2.333 1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.206 0.778 0.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.918 1.728 4.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.818 0.503 2.833 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.196 0.977 4.621 1.00 0.00 H new ATOM 1157 N SER A 80 -8.744 -0.400 -4.508 1.00 0.00 N ATOM 1158 CA SER A 80 -9.672 -0.548 -5.633 1.00 0.00 C ATOM 1159 C SER A 80 -10.743 -1.608 -5.368 1.00 0.00 C ATOM 1160 O SER A 80 -11.909 -1.407 -5.713 1.00 0.00 O ATOM 1161 CB SER A 80 -8.905 -0.896 -6.912 1.00 0.00 C ATOM 1162 OG SER A 80 -9.782 -1.035 -8.018 1.00 0.00 O ATOM 0 H SER A 80 -7.768 -0.579 -4.745 1.00 0.00 H new ATOM 0 HA SER A 80 -10.179 0.409 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.172 -0.117 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.351 -1.823 -6.765 1.00 0.00 H new ATOM 0 HG SER A 80 -9.264 -1.256 -8.820 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.356 -2.738 -4.785 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.320 -3.800 -4.505 1.00 0.00 C ATOM 1170 C TRP A 81 -12.024 -3.579 -3.162 1.00 0.00 C ATOM 1171 O TRP A 81 -13.074 -2.942 -3.104 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.625 -5.167 -4.537 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.549 -5.759 -5.910 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.473 -5.744 -6.752 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.589 -6.463 -6.599 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.783 -6.393 -7.922 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.074 -6.843 -7.854 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -12.905 -6.808 -6.280 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.831 -7.551 -8.785 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.654 -7.511 -7.204 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.116 -7.875 -8.444 1.00 0.00 C ATOM 0 H TRP A 81 -9.398 -2.942 -4.501 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.084 -3.776 -5.282 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.616 -5.064 -4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.159 -5.854 -3.881 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.519 -5.289 -6.530 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.153 -6.519 -8.714 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.330 -6.530 -5.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.418 -7.834 -9.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.671 -7.784 -6.966 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.728 -8.423 -9.146 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.455 -4.114 -2.084 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.039 -3.949 -0.755 1.00 0.00 C ATOM 1194 C ALA A 82 -11.195 -2.996 0.088 1.00 0.00 C ATOM 1195 O ALA A 82 -11.448 -1.794 0.139 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.184 -5.299 -0.064 1.00 0.00 C ATOM 0 H ALA A 82 -10.595 -4.662 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.032 -3.515 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.621 -5.157 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.832 -5.944 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.203 -5.764 0.036 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.192 -3.557 0.753 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.273 -2.781 1.578 1.00 0.00 C ATOM 1204 C GLN A 83 -7.899 -2.812 0.922 1.00 0.00 C ATOM 1205 O GLN A 83 -7.312 -1.775 0.622 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.232 -3.361 2.994 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.527 -3.148 3.764 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.574 -3.924 5.064 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -10.220 -5.099 5.108 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.017 -3.272 6.131 1.00 0.00 N ATOM 0 H GLN A 83 -9.993 -4.557 0.736 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.605 -1.746 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.022 -4.429 2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.410 -2.903 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.647 -2.086 3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.369 -3.445 3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.301 -2.296 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.073 -3.747 7.032 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.389 -4.021 0.720 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.130 -4.219 0.017 1.00 0.00 C ATOM 1221 C LYS A 84 -6.339 -5.309 -1.035 1.00 0.00 C ATOM 1222 O LYS A 84 -5.893 -5.183 -2.172 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.982 -4.586 0.980 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.800 -5.270 0.300 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.519 -5.201 1.122 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.661 -5.903 2.462 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.191 -7.287 2.317 1.00 0.00 N ATOM 0 H LYS A 84 -7.832 -4.883 1.036 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.835 -3.286 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.630 -3.680 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.370 -5.242 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.050 -6.314 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.628 -4.805 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.703 -5.655 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.250 -4.158 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.691 -5.937 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.327 -5.326 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.160 -7.329 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.198 -7.553 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.586 -7.948 2.845 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.057 -6.367 -0.625 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.400 -7.516 -1.482 1.00 0.00 C ATOM 1243 C ASN A 85 -6.176 -8.064 -2.216 1.00 0.00 C ATOM 1244 O ASN A 85 -6.281 -8.596 -3.323 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.488 -7.140 -2.491 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.263 -8.354 -2.973 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.642 -9.214 -2.180 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.495 -8.435 -4.277 1.00 0.00 N ATOM 0 H ASN A 85 -7.421 -6.451 0.324 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.779 -8.300 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.176 -6.429 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.033 -6.639 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.005 -9.233 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.163 -7.699 -4.901 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.022 -7.932 -1.590 1.00 0.00 N ATOM 1256 CA LYS A 86 -3.771 -8.398 -2.162 1.00 0.00 C ATOM 1257 C LYS A 86 -2.937 -9.034 -1.066 1.00 0.00 C ATOM 1258 O LYS A 86 -3.214 -8.836 0.114 1.00 0.00 O ATOM 1259 CB LYS A 86 -2.997 -7.234 -2.793 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.191 -7.093 -4.297 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.352 -6.171 -4.633 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.584 -6.080 -6.131 1.00 0.00 C ATOM 1263 NZ LYS A 86 -5.651 -5.099 -6.473 1.00 0.00 N ATOM 0 H LYS A 86 -4.924 -7.499 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.985 -9.129 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.303 -6.306 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.935 -7.365 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.277 -6.705 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.369 -8.076 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.257 -6.534 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.153 -5.176 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.656 -5.792 -6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.858 -7.062 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.742 -5.031 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.555 -5.413 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.402 -4.167 -6.085 1.00 0.00 H new ATOM 1277 N THR A 87 -1.920 -9.793 -1.436 1.00 0.00 N ATOM 1278 CA THR A 87 -1.069 -10.416 -0.439 1.00 0.00 C ATOM 1279 C THR A 87 0.387 -10.046 -0.674 1.00 0.00 C ATOM 1280 O THR A 87 0.766 -9.633 -1.774 1.00 0.00 O ATOM 1281 CB THR A 87 -1.215 -11.950 -0.413 1.00 0.00 C ATOM 1282 OG1 THR A 87 -0.771 -12.512 -1.655 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.660 -12.357 -0.159 1.00 0.00 C ATOM 0 H THR A 87 -1.666 -9.990 -2.404 1.00 0.00 H new ATOM 0 HA THR A 87 -1.394 -10.037 0.530 1.00 0.00 H new ATOM 0 HB THR A 87 -0.597 -12.331 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.867 -13.487 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.735 -13.444 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.987 -11.959 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.295 -11.959 -0.951 1.00 0.00 H new ATOM 1291 N ILE A 88 1.194 -10.200 0.367 1.00 0.00 N ATOM 1292 CA ILE A 88 2.615 -9.872 0.314 1.00 0.00 C ATOM 1293 C ILE A 88 3.350 -10.681 -0.758 1.00 0.00 C ATOM 1294 O ILE A 88 4.170 -10.130 -1.491 1.00 0.00 O ATOM 1295 CB ILE A 88 3.265 -10.057 1.713 1.00 0.00 C ATOM 1296 CG1 ILE A 88 3.009 -8.816 2.587 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.754 -10.346 1.613 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.588 -8.689 3.090 1.00 0.00 C ATOM 0 H ILE A 88 0.884 -10.555 1.272 1.00 0.00 H new ATOM 0 HA ILE A 88 2.705 -8.824 0.030 1.00 0.00 H new ATOM 0 HB ILE A 88 2.800 -10.924 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.683 -8.844 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.259 -7.924 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.169 -10.468 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.909 -11.261 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.253 -9.516 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.496 -7.788 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.906 -8.627 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.337 -9.561 3.694 1.00 0.00 H new ATOM 1310 N GLY A 89 3.036 -11.970 -0.867 1.00 0.00 N ATOM 1311 CA GLY A 89 3.689 -12.806 -1.864 1.00 0.00 C ATOM 1312 C GLY A 89 3.446 -12.329 -3.288 1.00 0.00 C ATOM 1313 O GLY A 89 4.363 -12.326 -4.111 1.00 0.00 O ATOM 0 H GLY A 89 2.346 -12.449 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.761 -12.823 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.330 -13.830 -1.763 1.00 0.00 H new ATOM 1317 N ASP A 90 2.209 -11.927 -3.579 1.00 0.00 N ATOM 1318 CA ASP A 90 1.845 -11.442 -4.915 1.00 0.00 C ATOM 1319 C ASP A 90 2.579 -10.147 -5.271 1.00 0.00 C ATOM 1320 O ASP A 90 3.021 -9.966 -6.406 1.00 0.00 O ATOM 1321 CB ASP A 90 0.333 -11.217 -5.014 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.454 -12.512 -5.056 1.00 0.00 C ATOM 1323 OD1 ASP A 90 0.161 -13.577 -5.277 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.687 -12.462 -4.867 1.00 0.00 O ATOM 0 H ASP A 90 1.440 -11.927 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 90 2.146 -12.211 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.002 -10.624 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.115 -10.636 -5.910 1.00 0.00 H new ATOM 1329 N LEU A 91 2.703 -9.252 -4.291 1.00 0.00 N ATOM 1330 CA LEU A 91 3.374 -7.968 -4.496 1.00 0.00 C ATOM 1331 C LEU A 91 4.890 -8.128 -4.563 1.00 0.00 C ATOM 1332 O LEU A 91 5.560 -7.354 -5.240 1.00 0.00 O ATOM 1333 CB LEU A 91 3.003 -6.967 -3.398 1.00 0.00 C ATOM 1334 CG LEU A 91 2.187 -5.742 -3.851 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.777 -5.135 -5.117 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.731 -6.125 -4.073 1.00 0.00 C ATOM 0 H LEU A 91 2.347 -9.393 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 91 3.029 -7.580 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.436 -7.493 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.922 -6.614 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 91 2.233 -4.992 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.183 -4.271 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.803 -4.821 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.767 -5.877 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.169 -5.248 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.671 -6.895 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.309 -6.507 -3.143 1.00 0.00 H new ATOM 1348 N LEU A 92 5.429 -9.138 -3.874 1.00 0.00 N ATOM 1349 CA LEU A 92 6.875 -9.386 -3.886 1.00 0.00 C ATOM 1350 C LEU A 92 7.355 -9.648 -5.306 1.00 0.00 C ATOM 1351 O LEU A 92 8.450 -9.236 -5.689 1.00 0.00 O ATOM 1352 CB LEU A 92 7.244 -10.563 -2.976 1.00 0.00 C ATOM 1353 CG LEU A 92 7.164 -10.284 -1.476 1.00 0.00 C ATOM 1354 CD1 LEU A 92 7.342 -11.572 -0.686 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.216 -9.262 -1.069 1.00 0.00 C ATOM 0 H LEU A 92 4.892 -9.793 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 92 7.372 -8.494 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.585 -11.400 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.259 -10.881 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 92 6.179 -9.874 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.282 -11.356 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.556 -12.277 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.315 -12.007 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.146 -9.074 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.208 -9.647 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.049 -8.332 -1.612 1.00 0.00 H new ATOM 1367 N GLN A 93 6.526 -10.349 -6.069 1.00 0.00 N ATOM 1368 CA GLN A 93 6.816 -10.651 -7.463 1.00 0.00 C ATOM 1369 C GLN A 93 7.000 -9.354 -8.261 1.00 0.00 C ATOM 1370 O GLN A 93 7.950 -9.211 -9.034 1.00 0.00 O ATOM 1371 CB GLN A 93 5.656 -11.484 -8.027 1.00 0.00 C ATOM 1372 CG GLN A 93 5.491 -11.419 -9.534 1.00 0.00 C ATOM 1373 CD GLN A 93 4.137 -11.938 -9.980 1.00 0.00 C ATOM 1374 OE1 GLN A 93 3.086 -11.569 -9.250 1.00 0.00 O flip ATOM 1375 NE2 GLN A 93 4.035 -12.668 -10.964 1.00 0.00 N flip ATOM 0 H GLN A 93 5.636 -10.723 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 93 7.744 -11.218 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.802 -12.525 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.729 -11.150 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.612 -10.389 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.278 -12.003 -10.011 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.866 -12.927 -11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.119 -13.015 -11.249 1.00 0.00 H new ATOM 1384 N VAL A 94 6.081 -8.412 -8.059 1.00 0.00 N ATOM 1385 CA VAL A 94 6.123 -7.113 -8.729 1.00 0.00 C ATOM 1386 C VAL A 94 7.279 -6.258 -8.186 1.00 0.00 C ATOM 1387 O VAL A 94 7.963 -5.558 -8.939 1.00 0.00 O ATOM 1388 CB VAL A 94 4.783 -6.360 -8.560 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.836 -4.987 -9.214 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.632 -7.181 -9.125 1.00 0.00 C ATOM 0 H VAL A 94 5.288 -8.527 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 94 6.288 -7.292 -9.791 1.00 0.00 H new ATOM 0 HB VAL A 94 4.613 -6.215 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.880 -4.482 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.627 -4.395 -8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.039 -5.099 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.698 -6.634 -8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.802 -7.364 -10.186 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.571 -8.133 -8.597 1.00 0.00 H new ATOM 1400 N LEU A 95 7.485 -6.330 -6.868 1.00 0.00 N ATOM 1401 CA LEU A 95 8.539 -5.576 -6.179 1.00 0.00 C ATOM 1402 C LEU A 95 9.917 -5.901 -6.748 1.00 0.00 C ATOM 1403 O LEU A 95 10.765 -5.019 -6.874 1.00 0.00 O ATOM 1404 CB LEU A 95 8.525 -5.900 -4.678 1.00 0.00 C ATOM 1405 CG LEU A 95 7.730 -4.942 -3.777 1.00 0.00 C ATOM 1406 CD1 LEU A 95 6.449 -4.478 -4.450 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.412 -5.618 -2.451 1.00 0.00 C ATOM 0 H LEU A 95 6.925 -6.914 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 95 8.340 -4.515 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.120 -6.904 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.556 -5.924 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 95 8.347 -4.062 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.912 -3.802 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.693 -3.957 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.822 -5.341 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.848 -4.932 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.819 -6.514 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.341 -5.893 -1.951 1.00 0.00 H new ATOM 1419 N GLN A 96 10.139 -7.175 -7.064 1.00 0.00 N ATOM 1420 CA GLN A 96 11.409 -7.620 -7.630 1.00 0.00 C ATOM 1421 C GLN A 96 11.656 -6.984 -8.998 1.00 0.00 C ATOM 1422 O GLN A 96 12.782 -6.619 -9.329 1.00 0.00 O ATOM 1423 CB GLN A 96 11.434 -9.145 -7.752 1.00 0.00 C ATOM 1424 CG GLN A 96 11.495 -9.865 -6.415 1.00 0.00 C ATOM 1425 CD GLN A 96 11.529 -11.374 -6.564 1.00 0.00 C ATOM 1426 OE1 GLN A 96 12.299 -11.912 -7.357 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.689 -12.063 -5.806 1.00 0.00 N ATOM 0 H GLN A 96 9.453 -7.919 -6.937 1.00 0.00 H new ATOM 0 HA GLN A 96 12.204 -7.303 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.544 -9.472 -8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.295 -9.438 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 96 12.381 -9.538 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.630 -9.583 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.067 -11.576 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.664 -13.081 -5.867 1.00 0.00 H new ATOM 1436 N GLU A 97 10.587 -6.864 -9.785 1.00 0.00 N ATOM 1437 CA GLU A 97 10.668 -6.285 -11.125 1.00 0.00 C ATOM 1438 C GLU A 97 11.103 -4.817 -11.088 1.00 0.00 C ATOM 1439 O GLU A 97 11.893 -4.376 -11.922 1.00 0.00 O ATOM 1440 CB GLU A 97 9.313 -6.404 -11.828 1.00 0.00 C ATOM 1441 CG GLU A 97 8.935 -7.833 -12.200 1.00 0.00 C ATOM 1442 CD GLU A 97 9.927 -8.476 -13.148 1.00 0.00 C ATOM 1443 OE1 GLU A 97 10.262 -7.848 -14.174 1.00 0.00 O ATOM 1444 OE2 GLU A 97 10.368 -9.610 -12.863 1.00 0.00 O ATOM 0 H GLU A 97 9.650 -7.162 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 97 11.423 -6.843 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.540 -5.991 -11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.329 -5.795 -12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.865 -8.433 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.947 -7.834 -12.660 1.00 0.00 H new ATOM 1451 N MET A 98 10.582 -4.060 -10.123 1.00 0.00 N ATOM 1452 CA MET A 98 10.931 -2.644 -10.000 1.00 0.00 C ATOM 1453 C MET A 98 12.142 -2.418 -9.095 1.00 0.00 C ATOM 1454 O MET A 98 12.685 -1.314 -9.048 1.00 0.00 O ATOM 1455 CB MET A 98 9.739 -1.835 -9.486 1.00 0.00 C ATOM 1456 CG MET A 98 8.611 -1.695 -10.495 1.00 0.00 C ATOM 1457 SD MET A 98 9.142 -0.879 -12.014 1.00 0.00 S ATOM 1458 CE MET A 98 9.556 0.755 -11.405 1.00 0.00 C ATOM 0 H MET A 98 9.923 -4.398 -9.421 1.00 0.00 H new ATOM 0 HA MET A 98 11.198 -2.300 -10.999 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.351 -2.310 -8.585 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.083 -0.841 -9.199 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.218 -2.683 -10.735 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.795 -1.127 -10.047 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.730 1.424 -12.248 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.733 1.138 -10.801 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.458 0.698 -10.795 1.00 0.00 H new ATOM 1468 N GLY A 99 12.567 -3.458 -8.384 1.00 0.00 N ATOM 1469 CA GLY A 99 13.720 -3.328 -7.505 1.00 0.00 C ATOM 1470 C GLY A 99 13.413 -2.544 -6.242 1.00 0.00 C ATOM 1471 O GLY A 99 14.229 -1.740 -5.787 1.00 0.00 O ATOM 0 H GLY A 99 12.138 -4.383 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.077 -4.321 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.529 -2.836 -8.045 1.00 0.00 H new ATOM 1475 N HIS A 100 12.231 -2.776 -5.679 1.00 0.00 N ATOM 1476 CA HIS A 100 11.798 -2.090 -4.461 1.00 0.00 C ATOM 1477 C HIS A 100 12.520 -2.627 -3.227 1.00 0.00 C ATOM 1478 O HIS A 100 11.984 -3.452 -2.485 1.00 0.00 O ATOM 1479 CB HIS A 100 10.288 -2.241 -4.290 1.00 0.00 C ATOM 1480 CG HIS A 100 9.498 -1.197 -5.009 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.466 -1.069 -6.378 1.00 0.00 N ATOM 1482 CD2 HIS A 100 8.697 -0.219 -4.522 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.667 -0.036 -6.675 1.00 0.00 C ATOM 1484 NE2 HIS A 100 8.174 0.512 -5.585 1.00 0.00 N ATOM 0 H HIS A 100 11.550 -3.439 -6.049 1.00 0.00 H new ATOM 0 HA HIS A 100 12.051 -1.035 -4.562 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.987 -3.225 -4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.045 -2.202 -3.228 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.496 -0.036 -3.477 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.455 0.303 -7.678 1.00 0.00 H new ATOM 0 HE2 HIS A 100 7.539 1.309 -5.530 1.00 0.00 H new ATOM 1491 N ARG A 101 13.739 -2.137 -3.017 1.00 0.00 N ATOM 1492 CA ARG A 101 14.571 -2.551 -1.889 1.00 0.00 C ATOM 1493 C ARG A 101 13.952 -2.187 -0.538 1.00 0.00 C ATOM 1494 O ARG A 101 13.975 -2.992 0.393 1.00 0.00 O ATOM 1495 CB ARG A 101 15.944 -1.894 -2.009 1.00 0.00 C ATOM 1496 CG ARG A 101 16.780 -2.440 -3.155 1.00 0.00 C ATOM 1497 CD ARG A 101 18.075 -1.659 -3.323 1.00 0.00 C ATOM 1498 NE ARG A 101 18.911 -2.205 -4.391 1.00 0.00 N ATOM 1499 CZ ARG A 101 18.735 -1.938 -5.684 1.00 0.00 C ATOM 1500 NH1 ARG A 101 19.545 -2.471 -6.588 1.00 0.00 N ATOM 1501 NH2 ARG A 101 17.746 -1.138 -6.072 1.00 0.00 N ATOM 0 H ARG A 101 14.178 -1.443 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 101 14.656 -3.637 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.814 -0.820 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.488 -2.034 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.008 -3.490 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.205 -2.396 -4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.844 -0.616 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.631 -1.673 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 101 19.675 -2.828 -4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.304 -3.086 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.410 -2.266 -7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 101 17.120 -0.727 -5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.613 -0.935 -7.063 1.00 0.00 H new ATOM 1515 N ARG A 102 13.392 -0.980 -0.438 1.00 0.00 N ATOM 1516 CA ARG A 102 12.776 -0.523 0.812 1.00 0.00 C ATOM 1517 C ARG A 102 11.601 -1.414 1.192 1.00 0.00 C ATOM 1518 O ARG A 102 11.416 -1.758 2.363 1.00 0.00 O ATOM 1519 CB ARG A 102 12.304 0.927 0.692 1.00 0.00 C ATOM 1520 CG ARG A 102 11.718 1.476 1.986 1.00 0.00 C ATOM 1521 CD ARG A 102 12.794 1.701 3.041 1.00 0.00 C ATOM 1522 NE ARG A 102 13.807 2.663 2.604 1.00 0.00 N ATOM 1523 CZ ARG A 102 13.664 3.984 2.689 1.00 0.00 C ATOM 1524 NH1 ARG A 102 14.636 4.783 2.268 1.00 0.00 N ATOM 1525 NH2 ARG A 102 12.554 4.503 3.197 1.00 0.00 N ATOM 0 H ARG A 102 13.352 -0.304 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 102 13.533 -0.582 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.144 1.552 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.554 0.994 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.205 2.416 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.971 0.782 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.330 2.058 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.275 0.751 3.275 1.00 0.00 H new ATOM 0 HE ARG A 102 14.675 2.299 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.491 4.385 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.528 5.795 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.807 3.890 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.447 5.515 3.261 1.00 0.00 H new ATOM 1539 N ALA A 103 10.808 -1.778 0.189 1.00 0.00 N ATOM 1540 CA ALA A 103 9.646 -2.630 0.401 1.00 0.00 C ATOM 1541 C ALA A 103 10.076 -3.982 0.957 1.00 0.00 C ATOM 1542 O ALA A 103 9.411 -4.545 1.823 1.00 0.00 O ATOM 1543 CB ALA A 103 8.875 -2.807 -0.898 1.00 0.00 C ATOM 0 H ALA A 103 10.951 -1.495 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 103 8.990 -2.151 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.010 -3.446 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.541 -1.834 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.521 -3.268 -1.645 1.00 0.00 H new ATOM 1549 N ILE A 104 11.194 -4.493 0.448 1.00 0.00 N ATOM 1550 CA ILE A 104 11.742 -5.770 0.896 1.00 0.00 C ATOM 1551 C ILE A 104 12.128 -5.702 2.378 1.00 0.00 C ATOM 1552 O ILE A 104 11.863 -6.633 3.142 1.00 0.00 O ATOM 1553 CB ILE A 104 12.972 -6.181 0.050 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.538 -6.508 -1.383 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.689 -7.377 0.669 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.693 -6.659 -2.349 1.00 0.00 C ATOM 0 H ILE A 104 11.742 -4.037 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 104 10.967 -6.525 0.765 1.00 0.00 H new ATOM 0 HB ILE A 104 13.668 -5.342 0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.959 -7.431 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.877 -5.719 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.549 -7.644 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 104 14.027 -7.119 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 104 13.005 -8.224 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.309 -6.890 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.260 -5.729 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.343 -7.467 -2.015 1.00 0.00 H new ATOM 1568 N HIS A 105 12.755 -4.598 2.780 1.00 0.00 N ATOM 1569 CA HIS A 105 13.171 -4.420 4.172 1.00 0.00 C ATOM 1570 C HIS A 105 11.971 -4.389 5.122 1.00 0.00 C ATOM 1571 O HIS A 105 12.016 -4.981 6.200 1.00 0.00 O ATOM 1572 CB HIS A 105 13.989 -3.135 4.334 1.00 0.00 C ATOM 1573 CG HIS A 105 15.387 -3.237 3.800 1.00 0.00 C ATOM 1574 ND1 HIS A 105 16.377 -3.998 4.381 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.956 -2.646 2.718 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.491 -3.849 3.652 1.00 0.00 C ATOM 1577 NE2 HIS A 105 17.289 -3.040 2.631 1.00 0.00 N ATOM 0 H HIS A 105 12.986 -3.817 2.166 1.00 0.00 H new ATOM 0 HA HIS A 105 13.792 -5.277 4.433 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.474 -2.321 3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.032 -2.873 5.391 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.455 -1.977 2.034 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.433 -4.330 3.872 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.968 -2.760 1.924 1.00 0.00 H new ATOM 1584 N LEU A 106 10.897 -3.708 4.726 1.00 0.00 N ATOM 1585 CA LEU A 106 9.699 -3.619 5.567 1.00 0.00 C ATOM 1586 C LEU A 106 8.809 -4.858 5.445 1.00 0.00 C ATOM 1587 O LEU A 106 8.027 -5.157 6.349 1.00 0.00 O ATOM 1588 CB LEU A 106 8.890 -2.369 5.221 1.00 0.00 C ATOM 1589 CG LEU A 106 8.683 -1.374 6.373 1.00 0.00 C ATOM 1590 CD1 LEU A 106 8.557 -2.093 7.710 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.821 -0.364 6.415 1.00 0.00 C ATOM 0 H LEU A 106 10.829 -3.213 3.837 1.00 0.00 H new ATOM 0 HA LEU A 106 10.044 -3.557 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.388 -1.851 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.912 -2.681 4.853 1.00 0.00 H new ATOM 0 HG LEU A 106 7.749 -0.841 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.411 -1.361 8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.704 -2.770 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.466 -2.663 7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.658 0.333 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.766 -0.887 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.855 0.186 5.474 1.00 0.00 H new ATOM 1603 N ILE A 107 8.925 -5.574 4.331 1.00 0.00 N ATOM 1604 CA ILE A 107 8.122 -6.773 4.095 1.00 0.00 C ATOM 1605 C ILE A 107 8.461 -7.877 5.105 1.00 0.00 C ATOM 1606 O ILE A 107 7.664 -8.788 5.337 1.00 0.00 O ATOM 1607 CB ILE A 107 8.287 -7.297 2.643 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.981 -7.909 2.146 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.418 -8.312 2.529 1.00 0.00 C ATOM 1610 CD1 ILE A 107 6.077 -6.912 1.453 1.00 0.00 C ATOM 0 H ILE A 107 9.569 -5.345 3.574 1.00 0.00 H new ATOM 0 HA ILE A 107 7.078 -6.491 4.233 1.00 0.00 H new ATOM 0 HB ILE A 107 8.545 -6.443 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.208 -8.723 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.448 -8.346 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.499 -8.653 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.356 -7.847 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.209 -9.163 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 107 5.166 -7.413 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.820 -6.111 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.592 -6.493 0.589 1.00 0.00 H new ATOM 1622 N THR A 108 9.641 -7.769 5.715 1.00 0.00 N ATOM 1623 CA THR A 108 10.106 -8.746 6.695 1.00 0.00 C ATOM 1624 C THR A 108 9.319 -8.649 8.005 1.00 0.00 C ATOM 1625 O THR A 108 9.487 -9.480 8.898 1.00 0.00 O ATOM 1626 CB THR A 108 11.607 -8.575 7.003 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.850 -7.287 7.587 1.00 0.00 O ATOM 1628 CG2 THR A 108 12.443 -8.730 5.742 1.00 0.00 C ATOM 0 H THR A 108 10.297 -7.007 5.544 1.00 0.00 H new ATOM 0 HA THR A 108 9.942 -9.727 6.249 1.00 0.00 H new ATOM 0 HB THR A 108 11.896 -9.353 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.726 -6.591 6.908 1.00 0.00 H new ATOM 0 HG21 THR A 108 13.498 -8.605 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.284 -9.722 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.147 -7.974 5.014 1.00 0.00 H new ATOM 1636 N ASN A 109 8.465 -7.630 8.116 1.00 0.00 N ATOM 1637 CA ASN A 109 7.659 -7.438 9.320 1.00 0.00 C ATOM 1638 C ASN A 109 6.609 -8.540 9.457 1.00 0.00 C ATOM 1639 O ASN A 109 6.180 -8.867 10.564 1.00 0.00 O ATOM 1640 CB ASN A 109 6.976 -6.065 9.291 1.00 0.00 C ATOM 1641 CG ASN A 109 6.497 -5.630 10.663 1.00 0.00 C ATOM 1642 OD1 ASN A 109 7.162 -5.867 11.671 1.00 0.00 O ATOM 1643 ND2 ASN A 109 5.338 -4.985 10.710 1.00 0.00 N ATOM 0 H ASN A 109 8.315 -6.929 7.390 1.00 0.00 H new ATOM 0 HA ASN A 109 8.324 -7.487 10.182 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.673 -5.323 8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.128 -6.098 8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.968 -4.666 11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.817 -4.808 9.851 1.00 0.00 H new ATOM 1650 N TYR A 110 6.192 -9.114 8.331 1.00 0.00 N ATOM 1651 CA TYR A 110 5.212 -10.192 8.355 1.00 0.00 C ATOM 1652 C TYR A 110 5.919 -11.529 8.128 1.00 0.00 C ATOM 1653 O TYR A 110 6.355 -11.827 7.017 1.00 0.00 O ATOM 1654 CB TYR A 110 4.122 -9.970 7.294 1.00 0.00 C ATOM 1655 CG TYR A 110 2.757 -10.534 7.663 1.00 0.00 C ATOM 1656 CD1 TYR A 110 2.542 -11.186 8.878 1.00 0.00 C ATOM 1657 CD2 TYR A 110 1.676 -10.410 6.791 1.00 0.00 C ATOM 1658 CE1 TYR A 110 1.300 -11.695 9.206 1.00 0.00 C ATOM 1659 CE2 TYR A 110 0.434 -10.919 7.119 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.251 -11.558 8.325 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.985 -12.064 8.651 1.00 0.00 O ATOM 0 H TYR A 110 6.515 -8.852 7.400 1.00 0.00 H new ATOM 0 HA TYR A 110 4.726 -10.203 9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 110 4.022 -8.900 7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.447 -10.423 6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.361 -11.295 9.574 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.812 -9.908 5.844 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.153 -12.198 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.392 -10.816 6.431 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.101 -12.043 9.624 1.00 0.00 H new