USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 705 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 47 TYR OH : rot 67:sc= 0.0586 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -10.1! C(o=-10!,f=-11!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -4.27! C(o=-4.6!,f=-7.7!) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= -0.347! USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 1.53 (180deg=1.45) USER MOD Single : A 21 GLN : amide:sc= -4.74! C(o=-4.7!,f=-4.9!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0784 USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -0.127 (180deg=-0.159) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 68 CYS SG : rot 140:sc= -1.83 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.96) USER MOD Single : A 92 THR OG1 : rot 160:sc= -0.0822 USER MOD Single : A 97 HIS : no HE2:sc= -4.11! C(o=-4.1!,f=-8!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.313 USER MOD Single : A 101 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.037) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.092 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -2.35 K(o=-2.4,f=-1.2) USER MOD Single : A 117 MET CE :methyl 169:sc= -2.16! (180deg=-3.07!) USER MOD Single : A 119 SER OG : rot -24:sc= -0.706 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 5.270 8.422 8.538 1.00 0.00 N ATOM 224 CA VAL A 17 4.738 7.613 9.622 1.00 0.00 C ATOM 225 C VAL A 17 3.712 6.627 9.059 1.00 0.00 C ATOM 226 O VAL A 17 3.329 6.721 7.895 1.00 0.00 O ATOM 227 CB VAL A 17 4.163 8.515 10.715 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.671 8.768 10.489 1.00 0.00 C ATOM 229 CG2 VAL A 17 4.414 7.922 12.103 1.00 0.00 C ATOM 0 HA VAL A 17 5.531 7.028 10.087 1.00 0.00 H new ATOM 0 HB VAL A 17 4.677 9.475 10.662 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.287 9.412 11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.526 9.253 9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.135 7.819 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.995 8.583 12.862 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.939 6.943 12.172 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.487 7.817 12.265 1.00 0.00 H new ATOM 239 N ILE A 18 3.298 5.702 9.913 1.00 0.00 N ATOM 240 CA ILE A 18 2.324 4.699 9.516 1.00 0.00 C ATOM 241 C ILE A 18 0.938 5.115 10.014 1.00 0.00 C ATOM 242 O ILE A 18 0.822 5.936 10.923 1.00 0.00 O ATOM 243 CB ILE A 18 2.759 3.312 9.994 1.00 0.00 C ATOM 244 CG1 ILE A 18 3.943 2.796 9.174 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.582 2.334 9.980 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.788 1.815 9.990 1.00 0.00 C ATOM 0 H ILE A 18 3.619 5.626 10.878 1.00 0.00 H new ATOM 0 HA ILE A 18 2.266 4.633 8.430 1.00 0.00 H new ATOM 0 HB ILE A 18 3.096 3.396 11.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.579 2.305 8.272 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.561 3.635 8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.918 1.356 10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.796 2.701 10.640 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.193 2.248 8.966 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.623 1.463 9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.170 2.316 10.879 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.173 0.966 10.289 1.00 0.00 H new ATOM 258 N ILE A 19 -0.077 4.529 9.397 1.00 0.00 N ATOM 259 CA ILE A 19 -1.450 4.828 9.766 1.00 0.00 C ATOM 260 C ILE A 19 -2.175 3.527 10.115 1.00 0.00 C ATOM 261 O ILE A 19 -2.947 3.480 11.072 1.00 0.00 O ATOM 262 CB ILE A 19 -2.137 5.638 8.664 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.787 5.088 7.280 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.806 7.126 8.790 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.535 5.767 6.720 1.00 0.00 C ATOM 0 H ILE A 19 0.024 3.849 8.644 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.477 5.457 10.656 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.215 5.537 8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.624 4.012 7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.625 5.244 6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.307 7.679 7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.147 7.494 9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.728 7.267 8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.308 5.358 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.710 6.840 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.306 5.588 7.390 1.00 0.00 H new ATOM 277 N LYS A 20 -1.901 2.503 9.321 1.00 0.00 N ATOM 278 CA LYS A 20 -2.518 1.205 9.534 1.00 0.00 C ATOM 279 C LYS A 20 -1.638 0.119 8.911 1.00 0.00 C ATOM 280 O LYS A 20 -1.227 0.235 7.757 1.00 0.00 O ATOM 281 CB LYS A 20 -3.957 1.203 9.016 1.00 0.00 C ATOM 282 CG LYS A 20 -4.689 -0.075 9.432 1.00 0.00 C ATOM 283 CD LYS A 20 -5.195 -0.840 8.208 1.00 0.00 C ATOM 284 CE LYS A 20 -5.889 -2.140 8.623 1.00 0.00 C ATOM 285 NZ LYS A 20 -4.912 -3.084 9.210 1.00 0.00 N ATOM 0 H LYS A 20 -1.260 2.546 8.529 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.588 0.987 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.488 2.073 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.956 1.288 7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.019 -0.710 10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.528 0.177 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.890 -0.216 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.360 -1.065 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.675 -1.925 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.369 -2.596 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.373 -4.001 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.115 -3.211 8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.561 -2.704 10.112 1.00 0.00 H new ATOM 299 N GLN A 21 -1.377 -0.912 9.701 1.00 0.00 N ATOM 300 CA GLN A 21 -0.554 -2.018 9.241 1.00 0.00 C ATOM 301 C GLN A 21 -0.999 -3.323 9.904 1.00 0.00 C ATOM 302 O GLN A 21 -1.656 -3.302 10.944 1.00 0.00 O ATOM 303 CB GLN A 21 0.928 -1.746 9.506 1.00 0.00 C ATOM 304 CG GLN A 21 1.259 -1.915 10.990 1.00 0.00 C ATOM 305 CD GLN A 21 1.799 -0.612 11.583 1.00 0.00 C ATOM 306 OE1 GLN A 21 1.060 0.292 11.938 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.126 -0.565 11.670 1.00 0.00 N ATOM 0 H GLN A 21 -1.721 -1.005 10.657 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.684 -2.118 8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.538 -2.428 8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.179 -0.734 9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.365 -2.223 11.533 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.996 -2.708 11.114 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.686 -1.357 11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.583 0.263 12.052 1.00 0.00 H new ATOM 316 N GLY A 22 -0.625 -4.427 9.275 1.00 0.00 N ATOM 317 CA GLY A 22 -0.977 -5.739 9.791 1.00 0.00 C ATOM 318 C GLY A 22 -0.664 -6.833 8.768 1.00 0.00 C ATOM 319 O GLY A 22 0.123 -6.620 7.847 1.00 0.00 O ATOM 0 H GLY A 22 -0.081 -4.440 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.428 -5.930 10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.038 -5.763 10.041 1.00 0.00 H new ATOM 323 N CYS A 23 -1.297 -7.980 8.964 1.00 0.00 N ATOM 324 CA CYS A 23 -1.096 -9.108 8.070 1.00 0.00 C ATOM 325 C CYS A 23 -2.211 -9.096 7.023 1.00 0.00 C ATOM 326 O CYS A 23 -3.329 -8.667 7.306 1.00 0.00 O ATOM 327 CB CYS A 23 -1.044 -10.433 8.834 1.00 0.00 C ATOM 328 SG CYS A 23 -2.542 -10.618 9.868 1.00 0.00 S ATOM 0 H CYS A 23 -1.949 -8.153 9.729 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.131 -9.013 7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.971 -11.264 8.133 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.153 -10.466 9.461 1.00 0.00 H new ATOM 0 HG CYS A 23 -2.489 -11.747 10.511 1.00 0.00 H new ATOM 334 N LEU A 24 -1.869 -9.572 5.835 1.00 0.00 N ATOM 335 CA LEU A 24 -2.827 -9.621 4.744 1.00 0.00 C ATOM 336 C LEU A 24 -2.469 -10.777 3.808 1.00 0.00 C ATOM 337 O LEU A 24 -1.314 -11.195 3.747 1.00 0.00 O ATOM 338 CB LEU A 24 -2.911 -8.264 4.043 1.00 0.00 C ATOM 339 CG LEU A 24 -3.876 -7.249 4.659 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.982 -5.995 3.789 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.244 -7.882 4.921 1.00 0.00 C ATOM 0 H LEU A 24 -0.941 -9.927 5.604 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.829 -9.818 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.914 -7.824 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.203 -8.430 3.006 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.475 -6.939 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.674 -5.290 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.000 -5.532 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.348 -6.269 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.911 -7.139 5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.666 -8.239 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.132 -8.719 5.610 1.00 0.00 H new ATOM 353 N LEU A 25 -3.480 -11.259 3.101 1.00 0.00 N ATOM 354 CA LEU A 25 -3.286 -12.358 2.170 1.00 0.00 C ATOM 355 C LEU A 25 -3.135 -11.800 0.753 1.00 0.00 C ATOM 356 O LEU A 25 -4.126 -11.481 0.099 1.00 0.00 O ATOM 357 CB LEU A 25 -4.412 -13.384 2.310 1.00 0.00 C ATOM 358 CG LEU A 25 -4.692 -13.883 3.729 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.470 -14.595 4.312 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.171 -12.740 4.627 1.00 0.00 C ATOM 0 H LEU A 25 -4.437 -10.909 3.154 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.366 -12.895 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.328 -12.946 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.173 -14.244 1.684 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.498 -14.615 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.697 -14.939 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.214 -15.450 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.628 -13.904 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.363 -13.121 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.403 -11.967 4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.088 -12.316 4.218 1.00 0.00 H new ATOM 372 N LYS A 26 -1.886 -11.700 0.321 1.00 0.00 N ATOM 373 CA LYS A 26 -1.593 -11.186 -1.006 1.00 0.00 C ATOM 374 C LYS A 26 -1.563 -12.347 -2.002 1.00 0.00 C ATOM 375 O LYS A 26 -0.723 -13.239 -1.896 1.00 0.00 O ATOM 376 CB LYS A 26 -0.306 -10.358 -0.988 1.00 0.00 C ATOM 377 CG LYS A 26 -0.149 -9.561 -2.284 1.00 0.00 C ATOM 378 CD LYS A 26 1.295 -9.087 -2.464 1.00 0.00 C ATOM 379 CE LYS A 26 1.358 -7.848 -3.360 1.00 0.00 C ATOM 380 NZ LYS A 26 2.564 -7.048 -3.053 1.00 0.00 N ATOM 0 H LYS A 26 -1.066 -11.966 0.866 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.378 -10.505 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.320 -9.677 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.552 -11.016 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.441 -10.179 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.819 -8.701 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.731 -8.859 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.892 -9.887 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.371 -8.150 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.465 -7.241 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.899 -6.579 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.331 -6.330 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.311 -7.672 -2.686 1.00 0.00 H new ATOM 394 N GLN A 27 -2.489 -12.297 -2.948 1.00 0.00 N ATOM 395 CA GLN A 27 -2.579 -13.333 -3.963 1.00 0.00 C ATOM 396 C GLN A 27 -1.665 -13.001 -5.144 1.00 0.00 C ATOM 397 O GLN A 27 -1.311 -11.842 -5.352 1.00 0.00 O ATOM 398 CB GLN A 27 -4.025 -13.523 -4.426 1.00 0.00 C ATOM 399 CG GLN A 27 -4.534 -14.922 -4.073 1.00 0.00 C ATOM 400 CD GLN A 27 -4.772 -15.754 -5.335 1.00 0.00 C ATOM 401 OE1 GLN A 27 -3.958 -15.797 -6.243 1.00 0.00 O ATOM 402 NE2 GLN A 27 -5.929 -16.409 -5.341 1.00 0.00 N ATOM 0 H GLN A 27 -3.184 -11.555 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.246 -14.273 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.662 -12.772 -3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.089 -13.370 -5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.810 -15.425 -3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.461 -14.843 -3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.565 -16.329 -4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.181 -16.992 -6.139 1.00 0.00 H new ATOM 543 N LYS A 35 -1.195 -16.440 0.485 1.00 0.00 N ATOM 544 CA LYS A 35 0.010 -16.464 1.297 1.00 0.00 C ATOM 545 C LYS A 35 -0.017 -15.289 2.277 1.00 0.00 C ATOM 546 O LYS A 35 -0.001 -14.131 1.863 1.00 0.00 O ATOM 547 CB LYS A 35 1.255 -16.496 0.408 1.00 0.00 C ATOM 548 CG LYS A 35 1.534 -17.914 -0.094 1.00 0.00 C ATOM 549 CD LYS A 35 2.998 -18.297 0.135 1.00 0.00 C ATOM 550 CE LYS A 35 3.317 -19.648 -0.509 1.00 0.00 C ATOM 551 NZ LYS A 35 4.485 -19.530 -1.409 1.00 0.00 N ATOM 0 HA LYS A 35 0.050 -17.376 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.117 -15.826 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.115 -16.129 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.884 -18.621 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.298 -17.981 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.649 -17.528 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.203 -18.342 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.520 -20.388 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.453 -20.003 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.688 -20.456 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.277 -18.839 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.312 -19.212 -0.865 1.00 0.00 H new ATOM 565 N VAL A 36 -0.058 -15.629 3.557 1.00 0.00 N ATOM 566 CA VAL A 36 -0.087 -14.616 4.599 1.00 0.00 C ATOM 567 C VAL A 36 1.164 -13.742 4.490 1.00 0.00 C ATOM 568 O VAL A 36 2.253 -14.242 4.211 1.00 0.00 O ATOM 569 CB VAL A 36 -0.234 -15.280 5.970 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.069 -14.288 7.094 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.628 -15.889 6.137 1.00 0.00 C ATOM 0 H VAL A 36 -0.072 -16.591 3.896 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.951 -13.964 4.473 1.00 0.00 H new ATOM 0 HB VAL A 36 0.494 -16.089 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.043 -14.785 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.090 -13.922 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.625 -13.449 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.706 -16.355 7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.381 -15.106 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.791 -16.641 5.365 1.00 0.00 H new ATOM 581 N ARG A 37 0.966 -12.451 4.715 1.00 0.00 N ATOM 582 CA ARG A 37 2.065 -11.503 4.645 1.00 0.00 C ATOM 583 C ARG A 37 1.731 -10.244 5.449 1.00 0.00 C ATOM 584 O ARG A 37 0.584 -10.040 5.841 1.00 0.00 O ATOM 585 CB ARG A 37 2.363 -11.111 3.197 1.00 0.00 C ATOM 586 CG ARG A 37 3.507 -11.951 2.625 1.00 0.00 C ATOM 587 CD ARG A 37 4.016 -11.360 1.309 1.00 0.00 C ATOM 588 NE ARG A 37 5.129 -12.182 0.783 1.00 0.00 N ATOM 589 CZ ARG A 37 5.554 -12.146 -0.487 1.00 0.00 C ATOM 590 NH1 ARG A 37 4.962 -11.329 -1.369 1.00 0.00 N ATOM 591 NH2 ARG A 37 6.571 -12.928 -0.876 1.00 0.00 N ATOM 0 H ARG A 37 0.062 -12.040 4.946 1.00 0.00 H new ATOM 0 HA ARG A 37 2.947 -11.985 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.469 -11.246 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.624 -10.054 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.323 -11.999 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.166 -12.973 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.206 -11.321 0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.353 -10.335 1.467 1.00 0.00 H new ATOM 0 HE ARG A 37 5.602 -12.815 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.188 -10.734 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.286 -11.302 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.021 -13.550 -0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.895 -12.901 -1.843 1.00 0.00 H new ATOM 605 N LYS A 38 2.755 -9.433 5.669 1.00 0.00 N ATOM 606 CA LYS A 38 2.585 -8.200 6.419 1.00 0.00 C ATOM 607 C LYS A 38 2.456 -7.028 5.443 1.00 0.00 C ATOM 608 O LYS A 38 3.110 -7.009 4.402 1.00 0.00 O ATOM 609 CB LYS A 38 3.715 -8.031 7.436 1.00 0.00 C ATOM 610 CG LYS A 38 3.223 -7.299 8.686 1.00 0.00 C ATOM 611 CD LYS A 38 4.199 -6.194 9.095 1.00 0.00 C ATOM 612 CE LYS A 38 3.670 -5.413 10.300 1.00 0.00 C ATOM 613 NZ LYS A 38 3.892 -6.174 11.549 1.00 0.00 N ATOM 0 H LYS A 38 3.705 -9.605 5.341 1.00 0.00 H new ATOM 0 HA LYS A 38 1.665 -8.233 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.108 -9.009 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.536 -7.474 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.240 -6.869 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.108 -8.009 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.168 -6.631 9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.356 -5.515 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.170 -4.447 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.606 -5.214 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.527 -5.630 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.395 -7.086 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.910 -6.342 11.677 1.00 0.00 H new ATOM 627 N PHE A 39 1.608 -6.081 5.815 1.00 0.00 N ATOM 628 CA PHE A 39 1.385 -4.909 4.985 1.00 0.00 C ATOM 629 C PHE A 39 1.347 -3.636 5.834 1.00 0.00 C ATOM 630 O PHE A 39 0.442 -3.455 6.648 1.00 0.00 O ATOM 631 CB PHE A 39 0.028 -5.095 4.304 1.00 0.00 C ATOM 632 CG PHE A 39 0.100 -5.824 2.961 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.223 -7.178 2.929 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.041 -5.118 1.800 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.290 -7.855 1.682 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.108 -5.795 0.554 1.00 0.00 C ATOM 637 CZ PHE A 39 0.231 -7.149 0.521 1.00 0.00 C ATOM 0 H PHE A 39 1.067 -6.101 6.680 1.00 0.00 H new ATOM 0 HA PHE A 39 2.193 -4.806 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.629 -5.651 4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.427 -4.116 4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.270 -7.738 3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.057 -4.043 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.388 -8.930 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.061 -5.235 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.282 -7.664 -0.427 1.00 0.00 H new ATOM 647 N ILE A 40 2.339 -2.787 5.614 1.00 0.00 N ATOM 648 CA ILE A 40 2.431 -1.536 6.348 1.00 0.00 C ATOM 649 C ILE A 40 2.082 -0.375 5.414 1.00 0.00 C ATOM 650 O ILE A 40 2.625 -0.272 4.316 1.00 0.00 O ATOM 651 CB ILE A 40 3.804 -1.402 7.009 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.044 -2.535 8.009 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.970 -0.024 7.654 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.539 -2.817 8.170 1.00 0.00 C ATOM 0 H ILE A 40 3.087 -2.940 4.938 1.00 0.00 H new ATOM 0 HA ILE A 40 1.708 -1.519 7.163 1.00 0.00 H new ATOM 0 HB ILE A 40 4.566 -1.489 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.614 -2.269 8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.534 -3.437 7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.954 0.045 8.117 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.873 0.749 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.201 0.117 8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.682 -3.626 8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.961 -3.106 7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.042 -1.920 8.532 1.00 0.00 H new ATOM 666 N LEU A 41 1.176 0.470 5.886 1.00 0.00 N ATOM 667 CA LEU A 41 0.749 1.619 5.107 1.00 0.00 C ATOM 668 C LEU A 41 1.298 2.896 5.746 1.00 0.00 C ATOM 669 O LEU A 41 1.280 3.040 6.968 1.00 0.00 O ATOM 670 CB LEU A 41 -0.773 1.619 4.943 1.00 0.00 C ATOM 671 CG LEU A 41 -1.370 2.832 4.227 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.133 2.750 2.718 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.853 2.994 4.566 1.00 0.00 C ATOM 0 H LEU A 41 0.727 0.381 6.797 1.00 0.00 H new ATOM 0 HA LEU A 41 1.156 1.567 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.060 0.721 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.225 1.547 5.932 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.858 3.725 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.567 3.624 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.062 2.720 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.601 1.847 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.253 3.863 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.397 2.102 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.967 3.132 5.641 1.00 0.00 H new ATOM 685 N ARG A 42 1.773 3.791 4.892 1.00 0.00 N ATOM 686 CA ARG A 42 2.327 5.051 5.358 1.00 0.00 C ATOM 687 C ARG A 42 1.939 6.185 4.407 1.00 0.00 C ATOM 688 O ARG A 42 2.189 6.105 3.206 1.00 0.00 O ATOM 689 CB ARG A 42 3.852 4.978 5.459 1.00 0.00 C ATOM 690 CG ARG A 42 4.472 4.582 4.118 1.00 0.00 C ATOM 691 CD ARG A 42 5.942 4.191 4.288 1.00 0.00 C ATOM 692 NE ARG A 42 6.045 2.767 4.679 1.00 0.00 N ATOM 693 CZ ARG A 42 7.203 2.111 4.826 1.00 0.00 C ATOM 694 NH1 ARG A 42 8.365 2.745 4.615 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.201 0.819 5.184 1.00 0.00 N ATOM 0 H ARG A 42 1.786 3.668 3.879 1.00 0.00 H new ATOM 0 HA ARG A 42 1.918 5.247 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.246 5.944 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.135 4.254 6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.917 3.748 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.392 5.412 3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.482 4.361 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.409 4.820 5.046 1.00 0.00 H new ATOM 0 HE ARG A 42 5.180 2.253 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.368 3.728 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.247 2.245 4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.317 0.336 5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.083 0.319 5.296 1.00 0.00 H new ATOM 709 N GLU A 43 1.335 7.215 4.981 1.00 0.00 N ATOM 710 CA GLU A 43 0.910 8.364 4.200 1.00 0.00 C ATOM 711 C GLU A 43 1.916 9.507 4.347 1.00 0.00 C ATOM 712 O GLU A 43 2.478 9.709 5.423 1.00 0.00 O ATOM 713 CB GLU A 43 -0.495 8.814 4.606 1.00 0.00 C ATOM 714 CG GLU A 43 -0.506 9.349 6.039 1.00 0.00 C ATOM 715 CD GLU A 43 -1.244 10.687 6.120 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.191 11.425 5.112 1.00 0.00 O ATOM 717 OE2 GLU A 43 -1.845 10.941 7.186 1.00 0.00 O ATOM 0 H GLU A 43 1.130 7.278 5.978 1.00 0.00 H new ATOM 0 HA GLU A 43 0.873 8.072 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.845 9.588 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.188 7.977 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.986 8.625 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.518 9.472 6.393 1.00 0.00 H new ATOM 724 N ASP A 44 2.112 10.225 3.251 1.00 0.00 N ATOM 725 CA ASP A 44 3.041 11.343 3.245 1.00 0.00 C ATOM 726 C ASP A 44 4.394 10.879 3.788 1.00 0.00 C ATOM 727 O ASP A 44 4.744 11.176 4.929 1.00 0.00 O ATOM 728 CB ASP A 44 2.539 12.481 4.136 1.00 0.00 C ATOM 729 CG ASP A 44 3.018 13.877 3.733 1.00 0.00 C ATOM 730 OD1 ASP A 44 4.216 13.991 3.396 1.00 0.00 O ATOM 731 OD2 ASP A 44 2.175 14.799 3.771 1.00 0.00 O ATOM 0 H ASP A 44 1.644 10.055 2.361 1.00 0.00 H new ATOM 0 HA ASP A 44 3.131 11.701 2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.449 12.472 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.855 12.287 5.161 1.00 0.00 H new ATOM 736 N PRO A 45 5.138 10.140 2.922 1.00 0.00 N ATOM 737 CA PRO A 45 4.649 9.833 1.589 1.00 0.00 C ATOM 738 C PRO A 45 3.567 8.753 1.636 1.00 0.00 C ATOM 739 O PRO A 45 3.346 8.135 2.677 1.00 0.00 O ATOM 740 CB PRO A 45 5.881 9.406 0.807 1.00 0.00 C ATOM 741 CG PRO A 45 6.929 9.043 1.846 1.00 0.00 C ATOM 742 CD PRO A 45 6.458 9.578 3.189 1.00 0.00 C ATOM 0 HA PRO A 45 4.166 10.686 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.659 8.555 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.233 10.211 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.063 7.962 1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.895 9.473 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.407 8.785 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.140 10.336 3.575 1.00 0.00 H new ATOM 750 N ALA A 46 2.920 8.557 0.496 1.00 0.00 N ATOM 751 CA ALA A 46 1.867 7.562 0.394 1.00 0.00 C ATOM 752 C ALA A 46 2.424 6.301 -0.268 1.00 0.00 C ATOM 753 O ALA A 46 2.532 6.235 -1.492 1.00 0.00 O ATOM 754 CB ALA A 46 0.682 8.150 -0.375 1.00 0.00 C ATOM 0 H ALA A 46 3.105 9.071 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 46 1.507 7.282 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.108 7.403 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.304 9.026 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.005 8.440 -1.375 1.00 0.00 H new ATOM 760 N TYR A 47 2.763 5.332 0.569 1.00 0.00 N ATOM 761 CA TYR A 47 3.307 4.076 0.079 1.00 0.00 C ATOM 762 C TYR A 47 2.852 2.905 0.951 1.00 0.00 C ATOM 763 O TYR A 47 2.494 3.093 2.113 1.00 0.00 O ATOM 764 CB TYR A 47 4.828 4.209 0.177 1.00 0.00 C ATOM 765 CG TYR A 47 5.477 4.853 -1.050 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.316 4.281 -2.296 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.223 6.005 -0.911 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.926 4.887 -3.451 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.834 6.611 -2.066 1.00 0.00 C ATOM 770 CZ TYR A 47 6.655 6.022 -3.279 1.00 0.00 C ATOM 771 OH TYR A 47 7.232 6.595 -4.370 1.00 0.00 O ATOM 0 H TYR A 47 2.672 5.391 1.583 1.00 0.00 H new ATOM 0 HA TYR A 47 2.969 3.882 -0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.075 4.801 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.260 3.220 0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.732 3.379 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.349 6.453 0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.807 4.450 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.421 7.513 -1.971 1.00 0.00 H new ATOM 0 HH TYR A 47 6.534 6.940 -4.966 1.00 0.00 H new ATOM 781 N LEU A 48 2.882 1.720 0.358 1.00 0.00 N ATOM 782 CA LEU A 48 2.477 0.518 1.066 1.00 0.00 C ATOM 783 C LEU A 48 3.589 -0.528 0.963 1.00 0.00 C ATOM 784 O LEU A 48 3.846 -1.061 -0.116 1.00 0.00 O ATOM 785 CB LEU A 48 1.121 0.027 0.557 1.00 0.00 C ATOM 786 CG LEU A 48 0.688 -1.361 1.033 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.477 -2.458 0.314 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.799 -1.479 2.554 1.00 0.00 C ATOM 0 H LEU A 48 3.181 1.567 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 48 2.335 0.730 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.360 0.747 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.143 0.025 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.362 -1.498 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.150 -3.435 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.303 -2.387 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.541 -2.335 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.485 -2.475 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.833 -1.313 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.158 -0.733 3.025 1.00 0.00 H new ATOM 800 N HIS A 49 4.217 -0.792 2.099 1.00 0.00 N ATOM 801 CA HIS A 49 5.295 -1.765 2.150 1.00 0.00 C ATOM 802 C HIS A 49 4.810 -3.031 2.859 1.00 0.00 C ATOM 803 O HIS A 49 4.140 -2.953 3.888 1.00 0.00 O ATOM 804 CB HIS A 49 6.542 -1.162 2.799 1.00 0.00 C ATOM 805 CG HIS A 49 7.102 0.031 2.061 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.656 1.323 2.277 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.076 0.113 1.110 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.338 2.138 1.486 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.217 1.387 0.763 1.00 0.00 N ATOM 0 H HIS A 49 4.000 -0.349 2.992 1.00 0.00 H new ATOM 0 HA HIS A 49 5.584 -2.046 1.137 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.300 -0.865 3.819 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.312 -1.930 2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.637 -0.717 0.707 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.219 3.210 1.425 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.874 1.745 0.070 1.00 0.00 H new ATOM 817 N TYR A 50 5.168 -4.169 2.282 1.00 0.00 N ATOM 818 CA TYR A 50 4.778 -5.450 2.846 1.00 0.00 C ATOM 819 C TYR A 50 5.999 -6.347 3.065 1.00 0.00 C ATOM 820 O TYR A 50 6.729 -6.648 2.122 1.00 0.00 O ATOM 821 CB TYR A 50 3.858 -6.103 1.813 1.00 0.00 C ATOM 822 CG TYR A 50 4.517 -6.336 0.452 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.472 -5.351 -0.513 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.156 -7.530 0.190 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.092 -5.570 -1.795 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.776 -7.749 -1.091 1.00 0.00 C ATOM 827 CZ TYR A 50 5.714 -6.758 -2.020 1.00 0.00 C ATOM 828 OH TYR A 50 6.299 -6.965 -3.230 1.00 0.00 O ATOM 0 H TYR A 50 5.724 -4.230 1.429 1.00 0.00 H new ATOM 0 HA TYR A 50 4.291 -5.312 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.509 -7.059 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.978 -5.474 1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.972 -4.416 -0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.191 -8.301 0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.063 -4.808 -2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.279 -8.680 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 50 6.706 -7.856 -3.248 1.00 0.00 H new ATOM 838 N TYR A 51 6.182 -6.748 4.315 1.00 0.00 N ATOM 839 CA TYR A 51 7.301 -7.604 4.669 1.00 0.00 C ATOM 840 C TYR A 51 6.812 -8.952 5.202 1.00 0.00 C ATOM 841 O TYR A 51 5.661 -9.080 5.617 1.00 0.00 O ATOM 842 CB TYR A 51 8.056 -6.873 5.781 1.00 0.00 C ATOM 843 CG TYR A 51 8.192 -5.366 5.554 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.113 -4.534 5.774 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.395 -4.839 5.129 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.242 -3.116 5.560 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.523 -3.420 4.915 1.00 0.00 C ATOM 848 CZ TYR A 51 8.441 -2.629 5.141 1.00 0.00 C ATOM 849 OH TYR A 51 8.562 -1.290 4.940 1.00 0.00 O ATOM 0 H TYR A 51 5.574 -6.496 5.094 1.00 0.00 H new ATOM 0 HA TYR A 51 7.926 -7.799 3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.542 -7.043 6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.051 -7.307 5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.172 -4.947 6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.240 -5.490 4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.406 -2.454 5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.458 -2.994 4.582 1.00 0.00 H new ATOM 0 HH TYR A 51 9.473 -1.085 4.643 1.00 0.00 H new ATOM 859 N ASP A 52 7.712 -9.925 5.173 1.00 0.00 N ATOM 860 CA ASP A 52 7.386 -11.259 5.647 1.00 0.00 C ATOM 861 C ASP A 52 6.956 -11.183 7.114 1.00 0.00 C ATOM 862 O ASP A 52 7.519 -10.413 7.890 1.00 0.00 O ATOM 863 CB ASP A 52 8.600 -12.187 5.558 1.00 0.00 C ATOM 864 CG ASP A 52 8.433 -13.538 6.255 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.420 -13.535 7.505 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.323 -14.545 5.522 1.00 0.00 O ATOM 0 H ASP A 52 8.666 -9.816 4.829 1.00 0.00 H new ATOM 0 HA ASP A 52 6.584 -11.653 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.828 -12.363 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.461 -11.677 5.989 1.00 0.00 H new ATOM 871 N PRO A 53 5.936 -12.015 7.457 1.00 0.00 N ATOM 872 CA PRO A 53 5.424 -12.049 8.817 1.00 0.00 C ATOM 873 C PRO A 53 6.387 -12.790 9.747 1.00 0.00 C ATOM 874 O PRO A 53 6.759 -12.274 10.800 1.00 0.00 O ATOM 875 CB PRO A 53 4.066 -12.723 8.709 1.00 0.00 C ATOM 876 CG PRO A 53 4.070 -13.456 7.377 1.00 0.00 C ATOM 877 CD PRO A 53 5.246 -12.941 6.564 1.00 0.00 C ATOM 0 HA PRO A 53 5.327 -11.056 9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.907 -13.416 9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.261 -11.989 8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.156 -14.531 7.534 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.134 -13.285 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.901 -13.756 6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.911 -12.440 5.656 1.00 0.00 H new ATOM 885 N ALA A 54 6.764 -13.987 9.324 1.00 0.00 N ATOM 886 CA ALA A 54 7.677 -14.804 10.106 1.00 0.00 C ATOM 887 C ALA A 54 8.808 -13.925 10.643 1.00 0.00 C ATOM 888 O ALA A 54 9.268 -14.117 11.767 1.00 0.00 O ATOM 889 CB ALA A 54 8.194 -15.959 9.245 1.00 0.00 C ATOM 0 H ALA A 54 6.454 -14.411 8.450 1.00 0.00 H new ATOM 0 HA ALA A 54 7.164 -15.241 10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.879 -16.572 9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.354 -16.570 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.718 -15.559 8.377 1.00 0.00 H new ATOM 895 N GLY A 55 9.225 -12.979 9.813 1.00 0.00 N ATOM 896 CA GLY A 55 10.294 -12.071 10.191 1.00 0.00 C ATOM 897 C GLY A 55 11.081 -11.610 8.963 1.00 0.00 C ATOM 898 O GLY A 55 11.324 -12.394 8.046 1.00 0.00 O ATOM 0 H GLY A 55 8.842 -12.822 8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.876 -11.206 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.965 -12.566 10.893 1.00 0.00 H new ATOM 902 N ALA A 56 11.458 -10.340 8.983 1.00 0.00 N ATOM 903 CA ALA A 56 12.213 -9.765 7.883 1.00 0.00 C ATOM 904 C ALA A 56 12.754 -8.397 8.301 1.00 0.00 C ATOM 905 O ALA A 56 12.659 -8.017 9.467 1.00 0.00 O ATOM 906 CB ALA A 56 11.324 -9.686 6.640 1.00 0.00 C ATOM 0 H ALA A 56 11.254 -9.693 9.744 1.00 0.00 H new ATOM 0 HA ALA A 56 13.067 -10.394 7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.890 -9.255 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.990 -10.687 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.457 -9.060 6.852 1.00 0.00 H new ATOM 912 N GLU A 57 13.311 -7.693 7.326 1.00 0.00 N ATOM 913 CA GLU A 57 13.868 -6.375 7.578 1.00 0.00 C ATOM 914 C GLU A 57 13.545 -5.432 6.417 1.00 0.00 C ATOM 915 O GLU A 57 12.838 -4.441 6.595 1.00 0.00 O ATOM 916 CB GLU A 57 15.377 -6.454 7.818 1.00 0.00 C ATOM 917 CG GLU A 57 15.685 -7.150 9.145 1.00 0.00 C ATOM 918 CD GLU A 57 17.195 -7.269 9.363 1.00 0.00 C ATOM 919 OE1 GLU A 57 17.831 -7.978 8.554 1.00 0.00 O ATOM 920 OE2 GLU A 57 17.679 -6.649 10.335 1.00 0.00 O ATOM 0 H GLU A 57 13.388 -8.011 6.360 1.00 0.00 H new ATOM 0 HA GLU A 57 13.411 -5.975 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.851 -6.996 7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.801 -5.450 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.238 -6.590 9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.233 -8.142 9.153 1.00 0.00 H new ATOM 927 N ASP A 58 14.080 -5.773 5.253 1.00 0.00 N ATOM 928 CA ASP A 58 13.858 -4.969 4.064 1.00 0.00 C ATOM 929 C ASP A 58 12.471 -5.277 3.496 1.00 0.00 C ATOM 930 O ASP A 58 11.951 -6.376 3.682 1.00 0.00 O ATOM 931 CB ASP A 58 14.892 -5.288 2.983 1.00 0.00 C ATOM 932 CG ASP A 58 15.099 -6.778 2.705 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.105 -7.424 2.308 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.245 -7.238 2.895 1.00 0.00 O ATOM 0 H ASP A 58 14.666 -6.595 5.109 1.00 0.00 H new ATOM 0 HA ASP A 58 13.943 -3.920 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.589 -4.800 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.847 -4.852 3.276 1.00 0.00 H new ATOM 939 N PRO A 59 11.896 -4.261 2.798 1.00 0.00 N ATOM 940 CA PRO A 59 10.580 -4.413 2.203 1.00 0.00 C ATOM 941 C PRO A 59 10.643 -5.285 0.948 1.00 0.00 C ATOM 942 O PRO A 59 11.488 -5.070 0.080 1.00 0.00 O ATOM 943 CB PRO A 59 10.111 -2.995 1.918 1.00 0.00 C ATOM 944 CG PRO A 59 11.362 -2.132 1.933 1.00 0.00 C ATOM 945 CD PRO A 59 12.483 -2.946 2.559 1.00 0.00 C ATOM 0 HA PRO A 59 9.878 -4.926 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.608 -2.937 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.397 -2.661 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.629 -1.830 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.189 -1.219 2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.344 -3.012 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.831 -2.493 3.487 1.00 0.00 H new ATOM 953 N LEU A 60 9.738 -6.251 0.891 1.00 0.00 N ATOM 954 CA LEU A 60 9.680 -7.157 -0.244 1.00 0.00 C ATOM 955 C LEU A 60 9.346 -6.363 -1.508 1.00 0.00 C ATOM 956 O LEU A 60 9.725 -6.756 -2.611 1.00 0.00 O ATOM 957 CB LEU A 60 8.708 -8.305 0.036 1.00 0.00 C ATOM 958 CG LEU A 60 9.073 -9.222 1.205 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.818 -9.695 1.942 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.937 -10.393 0.734 1.00 0.00 C ATOM 0 H LEU A 60 9.039 -6.426 1.613 1.00 0.00 H new ATOM 0 HA LEU A 60 10.651 -7.625 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.722 -7.882 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.625 -8.913 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 60 9.668 -8.649 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.105 -10.345 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.277 -8.832 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.177 -10.245 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.182 -11.029 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.389 -10.974 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.856 -10.011 0.289 1.00 0.00 H new ATOM 972 N GLY A 61 8.640 -5.259 -1.307 1.00 0.00 N ATOM 973 CA GLY A 61 8.251 -4.407 -2.417 1.00 0.00 C ATOM 974 C GLY A 61 7.702 -3.070 -1.915 1.00 0.00 C ATOM 975 O GLY A 61 7.974 -2.668 -0.785 1.00 0.00 O ATOM 0 H GLY A 61 8.328 -4.936 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.110 -4.231 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.496 -4.911 -3.020 1.00 0.00 H new ATOM 979 N ALA A 62 6.940 -2.417 -2.780 1.00 0.00 N ATOM 980 CA ALA A 62 6.351 -1.134 -2.439 1.00 0.00 C ATOM 981 C ALA A 62 5.285 -0.774 -3.477 1.00 0.00 C ATOM 982 O ALA A 62 5.546 -0.811 -4.678 1.00 0.00 O ATOM 983 CB ALA A 62 7.451 -0.075 -2.344 1.00 0.00 C ATOM 0 H ALA A 62 6.717 -2.753 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 62 5.861 -1.184 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.008 0.888 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.166 -0.362 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.963 0.005 -3.303 1.00 0.00 H new ATOM 989 N ILE A 63 4.106 -0.436 -2.975 1.00 0.00 N ATOM 990 CA ILE A 63 3.000 -0.071 -3.843 1.00 0.00 C ATOM 991 C ILE A 63 2.810 1.447 -3.809 1.00 0.00 C ATOM 992 O ILE A 63 2.615 2.028 -2.742 1.00 0.00 O ATOM 993 CB ILE A 63 1.742 -0.857 -3.468 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.090 -2.294 -3.075 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.707 -0.804 -4.593 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.865 -3.022 -2.519 1.00 0.00 C ATOM 0 H ILE A 63 3.893 -0.407 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 63 3.221 -0.342 -4.875 1.00 0.00 H new ATOM 0 HB ILE A 63 1.292 -0.385 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.473 -2.830 -3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.884 -2.288 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.177 -1.370 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.428 0.233 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.132 -1.236 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.140 -4.041 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.499 -2.497 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.082 -3.047 -3.277 1.00 0.00 H new ATOM 1008 N HIS A 64 2.875 2.046 -4.989 1.00 0.00 N ATOM 1009 CA HIS A 64 2.713 3.485 -5.107 1.00 0.00 C ATOM 1010 C HIS A 64 1.246 3.857 -4.881 1.00 0.00 C ATOM 1011 O HIS A 64 0.349 3.233 -5.448 1.00 0.00 O ATOM 1012 CB HIS A 64 3.250 3.984 -6.450 1.00 0.00 C ATOM 1013 CG HIS A 64 3.744 5.411 -6.422 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.197 6.070 -7.552 1.00 0.00 N ATOM 1015 CD2 HIS A 64 3.851 6.297 -5.391 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.558 7.296 -7.204 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.343 7.435 -5.864 1.00 0.00 N ATOM 0 H HIS A 64 3.038 1.561 -5.872 1.00 0.00 H new ATOM 0 HA HIS A 64 3.302 3.985 -4.337 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.065 3.334 -6.768 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.463 3.897 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.581 6.105 -4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.953 8.053 -7.865 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.530 8.275 -5.316 1.00 0.00 H new ATOM 1025 N LEU A 65 1.046 4.871 -4.052 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.297 5.332 -3.744 1.00 0.00 C ATOM 1027 C LEU A 65 -0.435 6.798 -4.160 1.00 0.00 C ATOM 1028 O LEU A 65 -1.280 7.520 -3.633 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.627 5.077 -2.272 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.148 3.742 -1.699 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.156 3.767 -0.169 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -0.970 2.579 -2.258 1.00 0.00 C ATOM 0 H LEU A 65 1.792 5.386 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.034 4.767 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.193 5.881 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.708 5.136 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 65 0.884 3.586 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.189 2.806 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.506 4.557 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.169 3.956 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.609 1.642 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.019 2.716 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.868 2.550 -3.343 1.00 0.00 H new ATOM 1044 N ARG A 66 0.407 7.195 -5.103 1.00 0.00 N ATOM 1045 CA ARG A 66 0.389 8.561 -5.596 1.00 0.00 C ATOM 1046 C ARG A 66 -0.930 8.849 -6.316 1.00 0.00 C ATOM 1047 O ARG A 66 -1.350 10.001 -6.414 1.00 0.00 O ATOM 1048 CB ARG A 66 1.552 8.815 -6.557 1.00 0.00 C ATOM 1049 CG ARG A 66 1.578 7.770 -7.675 1.00 0.00 C ATOM 1050 CD ARG A 66 2.334 8.294 -8.898 1.00 0.00 C ATOM 1051 NE ARG A 66 2.761 7.163 -9.751 1.00 0.00 N ATOM 1052 CZ ARG A 66 3.306 7.303 -10.967 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.493 8.527 -11.481 1.00 0.00 N ATOM 1054 NH2 ARG A 66 3.664 6.220 -11.670 1.00 0.00 N ATOM 0 H ARG A 66 1.106 6.594 -5.539 1.00 0.00 H new ATOM 0 HA ARG A 66 0.490 9.224 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.461 9.812 -6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.494 8.790 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.052 6.857 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.558 7.509 -7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.696 8.970 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.204 8.869 -8.580 1.00 0.00 H new ATOM 0 HE ARG A 66 2.632 6.217 -9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.220 9.352 -10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.908 8.633 -12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.522 5.289 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.079 6.327 -12.596 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.548 7.782 -6.800 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.811 7.905 -7.508 1.00 0.00 C ATOM 1070 C GLY A 67 -3.471 6.537 -7.693 1.00 0.00 C ATOM 1071 O GLY A 67 -4.165 6.308 -8.682 1.00 0.00 O ATOM 0 H GLY A 67 -1.198 6.828 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.480 8.564 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.643 8.366 -8.481 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.232 5.664 -6.725 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.795 4.325 -6.769 1.00 0.00 C ATOM 1077 C CYS A 68 -5.312 4.436 -6.601 1.00 0.00 C ATOM 1078 O CYS A 68 -5.823 5.491 -6.229 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.169 3.414 -5.712 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.504 4.073 -4.039 1.00 0.00 S ATOM 0 H CYS A 68 -2.656 5.858 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.570 3.864 -7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.574 2.406 -5.803 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.094 3.341 -5.874 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.780 3.091 -3.233 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.988 3.333 -6.884 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.436 3.293 -6.769 1.00 0.00 C ATOM 1088 C VAL A 69 -7.834 2.216 -5.757 1.00 0.00 C ATOM 1089 O VAL A 69 -7.127 1.223 -5.593 1.00 0.00 O ATOM 1090 CB VAL A 69 -8.065 3.079 -8.147 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.589 3.200 -8.079 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.483 4.054 -9.172 1.00 0.00 C ATOM 0 H VAL A 69 -5.560 2.460 -7.193 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.815 4.245 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.824 2.067 -8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.011 3.044 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.983 2.449 -7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.860 4.194 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.947 3.881 -10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.680 5.078 -8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.407 3.899 -9.251 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.963 2.450 -5.105 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.463 1.513 -4.114 1.00 0.00 C ATOM 1104 C VAL A 70 -10.811 0.958 -4.577 1.00 0.00 C ATOM 1105 O VAL A 70 -11.646 1.698 -5.094 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.534 2.189 -2.743 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.403 1.380 -1.777 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.133 2.409 -2.167 1.00 0.00 C ATOM 0 H VAL A 70 -9.546 3.275 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.782 0.668 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.000 3.166 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.437 1.882 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.413 1.297 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.979 0.384 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.212 2.891 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.630 1.448 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.558 3.045 -2.841 1.00 0.00 H new ATOM 1118 N THR A 71 -10.981 -0.341 -4.375 1.00 0.00 N ATOM 1119 CA THR A 71 -12.214 -1.004 -4.765 1.00 0.00 C ATOM 1120 C THR A 71 -12.402 -2.295 -3.967 1.00 0.00 C ATOM 1121 O THR A 71 -11.479 -2.753 -3.294 1.00 0.00 O ATOM 1122 CB THR A 71 -12.173 -1.226 -6.279 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.363 -0.603 -6.754 1.00 0.00 O ATOM 1124 CG2 THR A 71 -12.344 -2.697 -6.659 1.00 0.00 C ATOM 0 H THR A 71 -10.285 -0.952 -3.946 1.00 0.00 H new ATOM 0 HA THR A 71 -13.083 -0.388 -4.535 1.00 0.00 H new ATOM 0 HB THR A 71 -11.227 -0.857 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.416 -0.698 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.307 -2.799 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.542 -3.284 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.305 -3.058 -6.293 1.00 0.00 H new ATOM 1132 N SER A 72 -13.602 -2.846 -4.067 1.00 0.00 N ATOM 1133 CA SER A 72 -13.922 -4.076 -3.362 1.00 0.00 C ATOM 1134 C SER A 72 -14.100 -5.221 -4.362 1.00 0.00 C ATOM 1135 O SER A 72 -14.550 -5.004 -5.486 1.00 0.00 O ATOM 1136 CB SER A 72 -15.185 -3.912 -2.514 1.00 0.00 C ATOM 1137 OG SER A 72 -15.582 -2.547 -2.407 1.00 0.00 O ATOM 0 H SER A 72 -14.365 -2.464 -4.626 1.00 0.00 H new ATOM 0 HA SER A 72 -13.095 -4.311 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.996 -4.492 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.008 -4.317 -1.518 1.00 0.00 H new ATOM 0 HG SER A 72 -16.393 -2.484 -1.860 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.736 -6.414 -3.916 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.850 -7.594 -4.758 1.00 0.00 C ATOM 1145 C VAL A 73 -15.329 -7.918 -4.977 1.00 0.00 C ATOM 1146 O VAL A 73 -16.200 -7.124 -4.628 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.068 -8.755 -4.139 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.592 -8.391 -3.966 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.687 -9.185 -2.808 1.00 0.00 C ATOM 0 H VAL A 73 -13.362 -6.590 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.410 -7.409 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.126 -9.601 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.059 -9.233 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.159 -8.157 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.505 -7.523 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.112 -10.011 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.674 -8.346 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.716 -9.505 -2.972 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.937 -15.042 2.460 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.500 -14.073 3.385 1.00 0.00 C ATOM 1320 C GLU A 85 -13.655 -12.713 2.700 1.00 0.00 C ATOM 1321 O GLU A 85 -13.935 -12.645 1.504 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.641 -13.956 4.646 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.197 -15.336 5.136 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.750 -15.280 6.598 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -10.712 -14.630 6.850 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -12.455 -15.889 7.431 1.00 0.00 O ATOM 0 HA GLU A 85 -14.488 -14.420 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.766 -13.341 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.206 -13.452 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.018 -16.045 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.378 -15.700 4.515 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.468 -11.665 3.488 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.584 -10.311 2.972 1.00 0.00 C ATOM 1335 C ASN A 86 -12.283 -9.926 2.265 1.00 0.00 C ATOM 1336 O ASN A 86 -11.220 -9.900 2.883 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.821 -9.309 4.104 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.136 -9.602 4.829 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.219 -9.336 4.336 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.981 -10.163 6.025 1.00 0.00 N ATOM 0 H ASN A 86 -13.237 -11.725 4.480 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.428 -10.284 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.994 -9.353 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.842 -8.297 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.798 -10.397 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.045 -10.359 6.379 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.410 -9.637 0.978 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.258 -9.254 0.180 1.00 0.00 C ATOM 1349 C LEU A 87 -11.553 -7.934 -0.534 1.00 0.00 C ATOM 1350 O LEU A 87 -12.709 -7.528 -0.643 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.861 -10.389 -0.766 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.621 -11.706 -0.591 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.713 -12.467 -1.915 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.996 -12.556 0.517 1.00 0.00 C ATOM 0 H LEU A 87 -13.293 -9.660 0.468 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.392 -9.084 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.000 -10.046 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.797 -10.587 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.640 -11.474 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.258 -13.399 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.238 -11.856 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.709 -12.689 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.555 -13.486 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.960 -12.781 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.027 -12.007 1.458 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.487 -7.300 -1.001 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.618 -6.033 -1.702 1.00 0.00 C ATOM 1368 C PHE A 88 -9.470 -5.835 -2.694 1.00 0.00 C ATOM 1369 O PHE A 88 -8.335 -6.219 -2.421 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.558 -4.929 -0.644 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.342 -5.019 0.281 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.170 -4.427 -0.077 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.433 -5.690 1.460 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.042 -4.511 0.781 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.304 -5.773 2.318 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.133 -5.182 1.961 1.00 0.00 C ATOM 0 H PHE A 88 -9.530 -7.639 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.554 -6.011 -2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.550 -3.961 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.465 -4.969 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.098 -3.894 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.363 -6.160 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.111 -4.042 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.376 -6.306 3.255 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.275 -5.245 2.614 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.807 -5.235 -3.827 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.820 -4.981 -4.862 1.00 0.00 C ATOM 1388 C GLU A 89 -8.348 -3.527 -4.800 1.00 0.00 C ATOM 1389 O GLU A 89 -9.152 -2.618 -4.599 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.377 -5.319 -6.246 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.341 -5.040 -7.337 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.008 -4.487 -8.598 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.491 -3.337 -8.527 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.019 -5.228 -9.605 1.00 0.00 O ATOM 0 H GLU A 89 -10.750 -4.918 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.961 -5.629 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.670 -6.368 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.276 -4.731 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.603 -4.327 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.805 -5.958 -7.578 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.047 -3.352 -4.977 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.459 -2.024 -4.944 1.00 0.00 C ATOM 1403 C ILE A 90 -5.585 -1.827 -6.185 1.00 0.00 C ATOM 1404 O ILE A 90 -4.487 -2.374 -6.269 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.714 -1.800 -3.626 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.650 -1.982 -2.430 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -5.023 -0.435 -3.612 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.866 -1.991 -1.116 1.00 0.00 C ATOM 0 H ILE A 90 -6.383 -4.108 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.238 -1.262 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.933 -2.556 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.385 -1.177 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.202 -2.916 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.501 -0.301 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.307 -0.381 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.768 0.351 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.555 -2.122 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.149 -2.812 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.335 -1.046 -1.003 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.107 -1.043 -7.118 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.389 -0.767 -8.350 1.00 0.00 C ATOM 1422 C ILE A 91 -4.386 0.363 -8.108 1.00 0.00 C ATOM 1423 O ILE A 91 -4.657 1.285 -7.340 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.369 -0.485 -9.490 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.497 -1.519 -9.511 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.640 -0.404 -10.833 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.861 -0.840 -9.653 1.00 0.00 C ATOM 0 H ILE A 91 -7.018 -0.591 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.817 -1.641 -8.661 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.827 0.488 -9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.344 -2.212 -10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.473 -2.107 -8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.360 -0.203 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.903 0.399 -10.799 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.137 -1.350 -11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.645 -1.597 -9.665 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.021 -0.166 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.890 -0.273 -10.583 1.00 0.00 H new ATOM 1439 N THR A 92 -3.248 0.255 -8.779 1.00 0.00 N ATOM 1440 CA THR A 92 -2.204 1.257 -8.647 1.00 0.00 C ATOM 1441 C THR A 92 -2.092 2.084 -9.929 1.00 0.00 C ATOM 1442 O THR A 92 -2.807 1.833 -10.898 1.00 0.00 O ATOM 1443 CB THR A 92 -0.905 0.539 -8.272 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.607 -0.258 -9.415 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.103 -0.481 -7.149 1.00 0.00 C ATOM 0 H THR A 92 -3.026 -0.511 -9.415 1.00 0.00 H new ATOM 0 HA THR A 92 -2.439 1.971 -7.857 1.00 0.00 H new ATOM 0 HB THR A 92 -0.159 1.273 -7.968 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.343 -0.499 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.151 -0.961 -6.922 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.475 0.026 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.824 -1.235 -7.465 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.190 3.053 -9.893 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.976 3.919 -11.041 1.00 0.00 C ATOM 1455 C ALA A 93 -0.474 3.082 -12.219 1.00 0.00 C ATOM 1456 O ALA A 93 -0.481 3.543 -13.360 1.00 0.00 O ATOM 1457 CB ALA A 93 -0.002 5.037 -10.662 1.00 0.00 C ATOM 0 H ALA A 93 -0.599 3.258 -9.088 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.910 4.390 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.159 5.687 -11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.419 5.620 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.949 4.602 -10.353 1.00 0.00 H new ATOM 1463 N ASP A 94 -0.050 1.867 -11.903 1.00 0.00 N ATOM 1464 CA ASP A 94 0.455 0.962 -12.921 1.00 0.00 C ATOM 1465 C ASP A 94 -0.676 0.043 -13.386 1.00 0.00 C ATOM 1466 O ASP A 94 -0.499 -0.745 -14.314 1.00 0.00 O ATOM 1467 CB ASP A 94 1.581 0.085 -12.369 1.00 0.00 C ATOM 1468 CG ASP A 94 2.916 0.207 -13.107 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.601 1.226 -12.875 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.220 -0.723 -13.885 1.00 0.00 O ATOM 0 H ASP A 94 -0.046 1.488 -10.956 1.00 0.00 H new ATOM 0 HA ASP A 94 0.838 1.562 -13.746 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.738 0.338 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.259 -0.956 -12.401 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.814 0.174 -12.719 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.974 -0.636 -13.052 1.00 0.00 C ATOM 1477 C GLU A 95 -2.883 -2.001 -12.368 1.00 0.00 C ATOM 1478 O GLU A 95 -3.784 -2.828 -12.501 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.117 -0.791 -14.568 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.817 0.527 -15.285 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.659 0.664 -16.555 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.876 -0.379 -17.207 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -4.066 1.810 -16.845 1.00 0.00 O ATOM 0 H GLU A 95 -1.957 0.829 -11.950 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.865 -0.127 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.437 -1.565 -14.924 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.128 -1.119 -14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.022 1.363 -14.617 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.758 0.574 -15.540 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.786 -2.195 -11.649 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.566 -3.446 -10.944 1.00 0.00 C ATOM 1492 C VAL A 96 -2.684 -3.652 -9.919 1.00 0.00 C ATOM 1493 O VAL A 96 -3.016 -2.739 -9.166 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.171 -3.454 -10.316 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.126 -4.802 -9.656 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.899 -3.103 -11.352 1.00 0.00 C ATOM 0 H VAL A 96 -1.041 -1.507 -11.540 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.601 -4.287 -11.637 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.149 -2.689 -9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.124 -4.780 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.610 -4.995 -8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.076 -5.593 -10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.881 -3.116 -10.879 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.876 -3.833 -12.161 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.703 -2.109 -11.755 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.233 -4.858 -9.925 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.306 -5.196 -9.006 1.00 0.00 C ATOM 1508 C HIS A 97 -3.761 -6.085 -7.886 1.00 0.00 C ATOM 1509 O HIS A 97 -2.906 -6.937 -8.124 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.480 -5.834 -9.751 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.831 -5.145 -11.048 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -6.978 -4.387 -11.208 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.174 -5.106 -12.243 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.001 -3.919 -12.447 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.882 -4.366 -13.087 1.00 0.00 N ATOM 0 H HIS A 97 -2.955 -5.613 -10.552 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.695 -4.288 -8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.242 -6.877 -9.958 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.355 -5.830 -9.101 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.686 -4.218 -10.493 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.237 -5.595 -12.465 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.770 -3.294 -12.875 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.279 -5.857 -6.688 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.856 -6.626 -5.530 1.00 0.00 C ATOM 1525 C TYR A 98 -5.054 -7.014 -4.662 1.00 0.00 C ATOM 1526 O TYR A 98 -5.775 -6.147 -4.169 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.935 -5.707 -4.726 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.561 -5.491 -5.364 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.702 -6.558 -5.530 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.180 -4.229 -5.773 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.592 -6.355 -6.129 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.113 -4.026 -6.373 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.935 -5.099 -6.521 1.00 0.00 C ATOM 1534 OH TYR A 98 2.156 -4.907 -7.088 1.00 0.00 O ATOM 0 H TYR A 98 -4.988 -5.150 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.360 -7.546 -5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.422 -4.740 -4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.800 -6.127 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.000 -7.546 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.852 -3.394 -5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.274 -7.181 -6.264 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.423 -3.044 -6.698 1.00 0.00 H new ATOM 0 HH TYR A 98 2.264 -3.961 -7.319 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.230 -8.317 -4.499 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.329 -8.831 -3.699 1.00 0.00 C ATOM 1546 C PHE A 99 -5.847 -9.240 -2.305 1.00 0.00 C ATOM 1547 O PHE A 99 -5.139 -10.234 -2.157 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.870 -10.066 -4.421 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.765 -9.743 -5.619 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -7.295 -8.962 -6.629 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -9.031 -10.237 -5.675 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.126 -8.663 -7.741 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -9.862 -9.938 -6.787 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.391 -9.157 -7.797 1.00 0.00 C ATOM 0 H PHE A 99 -4.629 -9.033 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.093 -8.063 -3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.031 -10.673 -4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.434 -10.671 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.290 -8.569 -6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.404 -10.857 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.753 -8.043 -8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.867 -10.330 -6.831 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.022 -8.930 -8.643 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.250 -8.452 -1.319 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.869 -8.720 0.057 1.00 0.00 C ATOM 1566 C LEU A 100 -7.115 -9.087 0.865 1.00 0.00 C ATOM 1567 O LEU A 100 -8.141 -8.416 0.770 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.087 -7.539 0.636 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.959 -6.988 -0.239 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.017 -8.107 -0.688 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.519 -6.200 -1.425 1.00 0.00 C ATOM 0 H LEU A 100 -6.837 -7.627 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.194 -9.575 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.788 -6.730 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.662 -7.844 1.592 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.371 -6.293 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.225 -7.688 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.578 -8.586 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.577 -8.845 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.696 -5.820 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.145 -6.853 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.116 -5.365 -1.058 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.985 -10.153 1.641 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.087 -10.618 2.465 1.00 0.00 C ATOM 1585 C GLN A 101 -7.951 -10.077 3.889 1.00 0.00 C ATOM 1586 O GLN A 101 -6.895 -10.205 4.507 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.166 -12.146 2.464 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.294 -12.638 3.372 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.856 -13.862 4.179 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.290 -13.759 5.255 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -9.146 -15.024 3.600 1.00 0.00 N ATOM 0 H GLN A 101 -6.133 -10.708 1.716 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.017 -10.239 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.330 -12.504 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.216 -12.563 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.594 -11.839 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.167 -12.889 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.622 -15.040 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.893 -15.899 4.058 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.034 -9.484 4.369 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.048 -8.923 5.709 1.00 0.00 C ATOM 1602 C ALA A 102 -9.719 -9.912 6.664 1.00 0.00 C ATOM 1603 O ALA A 102 -10.849 -10.339 6.429 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.753 -7.565 5.686 1.00 0.00 C ATOM 0 H ALA A 102 -9.908 -9.380 3.854 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.032 -8.757 6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.764 -7.144 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.221 -6.890 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.777 -7.693 5.335 1.00 0.00 H new ATOM 1610 N ALA A 103 -8.995 -10.248 7.722 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.505 -11.179 8.714 1.00 0.00 C ATOM 1612 C ALA A 103 -10.990 -10.898 8.953 1.00 0.00 C ATOM 1613 O ALA A 103 -11.840 -11.738 8.659 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.677 -11.065 9.995 1.00 0.00 C ATOM 0 H ALA A 103 -8.059 -9.892 7.914 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.416 -12.206 8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.060 -11.764 10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.635 -11.301 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.745 -10.049 10.383 1.00 0.00 H new ATOM 1620 N THR A 104 -11.258 -9.714 9.484 1.00 0.00 N ATOM 1621 CA THR A 104 -12.626 -9.313 9.766 1.00 0.00 C ATOM 1622 C THR A 104 -13.186 -8.479 8.612 1.00 0.00 C ATOM 1623 O THR A 104 -12.433 -7.997 7.768 1.00 0.00 O ATOM 1624 CB THR A 104 -12.635 -8.577 11.108 1.00 0.00 C ATOM 1625 OG1 THR A 104 -12.041 -7.315 10.816 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.686 -9.208 12.129 1.00 0.00 C ATOM 0 H THR A 104 -10.551 -9.020 9.726 1.00 0.00 H new ATOM 0 HA THR A 104 -13.283 -10.179 9.849 1.00 0.00 H new ATOM 0 HB THR A 104 -13.648 -8.570 11.510 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.009 -6.772 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.731 -8.647 13.063 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.982 -10.241 12.311 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.668 -9.186 11.741 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.538 -8.331 8.614 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.207 -7.563 7.577 1.00 0.00 C ATOM 1636 C PRO A 105 -15.008 -6.062 7.791 1.00 0.00 C ATOM 1637 O PRO A 105 -15.311 -5.260 6.909 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.665 -7.986 7.655 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.843 -8.619 9.025 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.461 -8.887 9.598 1.00 0.00 C ATOM 0 HA PRO A 105 -14.802 -7.755 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.327 -7.129 7.532 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.909 -8.694 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.406 -7.956 9.682 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.410 -9.547 8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.337 -8.411 10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.292 -9.954 9.741 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.499 -5.727 8.968 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.255 -4.335 9.309 1.00 0.00 C ATOM 1650 C LYS A 106 -12.853 -3.938 8.842 1.00 0.00 C ATOM 1651 O LYS A 106 -12.611 -2.779 8.510 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.497 -4.099 10.801 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.806 -2.627 11.080 1.00 0.00 C ATOM 1654 CD LYS A 106 -14.737 -2.327 12.579 1.00 0.00 C ATOM 1655 CE LYS A 106 -16.032 -1.674 13.068 1.00 0.00 C ATOM 1656 NZ LYS A 106 -16.232 -1.937 14.510 1.00 0.00 N ATOM 0 H LYS A 106 -14.249 -6.395 9.697 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.960 -3.686 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.326 -4.719 11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.618 -4.404 11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.096 -1.995 10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.798 -2.382 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.560 -3.250 13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.893 -1.668 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.994 -0.599 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.878 -2.061 12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.115 -1.487 14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.289 -2.963 14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.433 -1.546 15.048 1.00 0.00 H new ATOM 1670 N GLU A 107 -11.967 -4.923 8.833 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.595 -4.691 8.413 1.00 0.00 C ATOM 1672 C GLU A 107 -10.546 -4.365 6.919 1.00 0.00 C ATOM 1673 O GLU A 107 -9.777 -3.504 6.493 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.710 -5.895 8.741 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.248 -5.611 8.393 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.347 -5.798 9.616 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.702 -6.653 10.456 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.324 -5.082 9.682 1.00 0.00 O ATOM 0 H GLU A 107 -12.172 -5.883 9.110 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.206 -3.835 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.795 -6.136 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.057 -6.767 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.925 -6.277 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.151 -4.592 8.018 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.375 -5.071 6.164 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.435 -4.867 4.726 1.00 0.00 C ATOM 1687 C ARG A 108 -11.808 -3.417 4.411 1.00 0.00 C ATOM 1688 O ARG A 108 -11.198 -2.790 3.546 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.460 -5.802 4.080 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.538 -5.569 2.570 1.00 0.00 C ATOM 1691 CD ARG A 108 -13.922 -5.056 2.165 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.719 -6.159 1.583 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.855 -5.982 0.895 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.334 -4.746 0.698 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -16.513 -7.041 0.403 1.00 0.00 N ATOM 0 H ARG A 108 -12.011 -5.785 6.521 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.449 -5.089 4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.188 -6.839 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.440 -5.639 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.777 -4.849 2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.322 -6.499 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.435 -4.644 3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.822 -4.247 1.441 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.383 -7.113 1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -15.834 -3.940 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.199 -4.612 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.149 -7.982 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.378 -6.906 -0.121 1.00 0.00 H new ATOM 1709 N THR A 109 -12.807 -2.926 5.129 1.00 0.00 N ATOM 1710 CA THR A 109 -13.268 -1.562 4.937 1.00 0.00 C ATOM 1711 C THR A 109 -12.209 -0.568 5.420 1.00 0.00 C ATOM 1712 O THR A 109 -11.844 0.357 4.696 1.00 0.00 O ATOM 1713 CB THR A 109 -14.613 -1.412 5.651 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.567 -1.849 4.688 1.00 0.00 O ATOM 1715 CG2 THR A 109 -14.981 0.051 5.904 1.00 0.00 C ATOM 0 H THR A 109 -13.310 -3.449 5.845 1.00 0.00 H new ATOM 0 HA THR A 109 -13.419 -1.341 3.880 1.00 0.00 H new ATOM 0 HB THR A 109 -14.583 -1.948 6.600 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.468 -1.787 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.944 0.101 6.413 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.217 0.516 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.045 0.580 4.953 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.746 -0.793 6.641 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.737 0.071 7.229 1.00 0.00 C ATOM 1725 C GLU A 110 -9.554 0.233 6.273 1.00 0.00 C ATOM 1726 O GLU A 110 -9.189 1.351 5.915 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.277 -0.468 8.586 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.330 -0.208 9.665 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.675 0.225 10.978 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.415 1.441 11.108 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.448 -0.669 11.821 1.00 0.00 O ATOM 0 H GLU A 110 -12.051 -1.561 7.239 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.180 1.053 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.086 -1.538 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.337 0.005 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.020 0.565 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.919 -1.111 9.829 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.987 -0.901 5.887 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.852 -0.899 4.980 1.00 0.00 C ATOM 1740 C TRP A 111 -8.145 0.101 3.859 1.00 0.00 C ATOM 1741 O TRP A 111 -7.413 1.074 3.685 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.563 -2.310 4.462 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.463 -3.042 5.233 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.554 -4.203 5.897 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.094 -2.614 5.394 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.349 -4.552 6.472 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.433 -3.555 6.157 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.437 -1.469 4.912 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.081 -3.448 6.504 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.086 -1.377 5.268 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.406 -2.316 6.035 1.00 0.00 C ATOM 0 H TRP A 111 -9.293 -1.827 6.186 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.945 -0.587 5.497 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.479 -2.898 4.510 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.278 -2.249 3.412 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.457 -4.791 5.972 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.164 -5.388 7.026 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.935 -0.720 4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.586 -4.199 7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.533 -0.516 4.922 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.361 -2.172 6.268 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.215 -0.174 3.129 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.613 0.690 2.030 1.00 0.00 C ATOM 1764 C ILE A 112 -9.432 2.151 2.444 1.00 0.00 C ATOM 1765 O ILE A 112 -8.573 2.850 1.909 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.033 0.352 1.570 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -11.019 -0.759 0.518 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.760 1.603 1.073 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.922 -1.921 0.937 1.00 0.00 C ATOM 0 H ILE A 112 -9.819 -0.983 3.276 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.974 0.523 1.163 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.590 -0.025 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.353 -0.362 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.000 -1.118 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.767 1.335 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.819 2.334 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.213 2.032 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.894 -2.697 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.571 -2.332 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.945 -1.563 1.054 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.255 2.570 3.394 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.197 3.936 3.887 1.00 0.00 C ATOM 1783 C LYS A 113 -8.759 4.266 4.294 1.00 0.00 C ATOM 1784 O LYS A 113 -8.322 5.409 4.169 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.217 4.145 5.008 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.566 3.522 4.645 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.701 4.171 5.440 1.00 0.00 C ATOM 1788 CE LYS A 113 -13.562 3.876 6.935 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.411 4.795 7.726 1.00 0.00 N ATOM 0 H LYS A 113 -10.966 1.987 3.836 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.475 4.637 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.844 3.701 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.343 5.211 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.750 3.641 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.542 2.451 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.695 5.249 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.661 3.800 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.848 2.844 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.520 3.983 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.305 4.581 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.120 5.777 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.406 4.673 7.449 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.064 3.244 4.771 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.685 3.411 5.197 1.00 0.00 C ATOM 1805 C ALA A 114 -5.835 3.845 4.001 1.00 0.00 C ATOM 1806 O ALA A 114 -5.156 4.868 4.056 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.184 2.110 5.827 1.00 0.00 C ATOM 0 H ALA A 114 -8.430 2.297 4.872 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.609 4.190 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.149 2.235 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.803 1.862 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.242 1.305 5.095 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.902 3.044 2.947 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.147 3.333 1.739 1.00 0.00 C ATOM 1815 C ILE A 115 -5.601 4.677 1.168 1.00 0.00 C ATOM 1816 O ILE A 115 -4.775 5.521 0.826 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.260 2.174 0.747 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.419 0.979 1.201 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.896 2.626 -0.668 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.282 -0.276 1.345 1.00 0.00 C ATOM 0 H ILE A 115 -6.467 2.196 2.905 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.085 3.426 1.967 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.299 1.846 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.622 0.796 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.941 1.207 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.985 1.783 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.573 3.421 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.871 2.997 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.660 -1.110 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.063 -0.098 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.739 -0.515 0.385 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.914 4.835 1.084 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.488 6.063 0.560 1.00 0.00 C ATOM 1834 C GLN A 116 -6.937 7.272 1.319 1.00 0.00 C ATOM 1835 O GLN A 116 -6.495 8.244 0.708 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.016 6.025 0.624 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.563 4.777 -0.072 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.511 5.156 -1.211 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.334 6.150 -1.897 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.526 4.312 -1.375 1.00 0.00 N ATOM 0 H GLN A 116 -7.597 4.133 1.370 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.204 6.156 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.340 6.037 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.426 6.918 0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.737 4.183 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.089 4.154 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.616 3.498 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.214 4.478 -2.109 1.00 0.00 H new ATOM 1849 N MET A 117 -6.983 7.173 2.640 1.00 0.00 N ATOM 1850 CA MET A 117 -6.494 8.246 3.488 1.00 0.00 C ATOM 1851 C MET A 117 -5.082 8.670 3.078 1.00 0.00 C ATOM 1852 O MET A 117 -4.804 9.860 2.936 1.00 0.00 O ATOM 1853 CB MET A 117 -6.484 7.781 4.945 1.00 0.00 C ATOM 1854 CG MET A 117 -5.099 7.962 5.570 1.00 0.00 C ATOM 1855 SD MET A 117 -5.183 7.694 7.332 1.00 0.00 S ATOM 1856 CE MET A 117 -5.822 6.027 7.362 1.00 0.00 C ATOM 0 H MET A 117 -7.352 6.366 3.143 1.00 0.00 H new ATOM 0 HA MET A 117 -7.158 9.103 3.375 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.221 8.346 5.516 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.776 6.732 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.394 7.262 5.121 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.727 8.966 5.364 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.754 5.629 8.375 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.864 6.031 7.043 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.239 5.401 6.686 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.228 7.673 2.898 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.852 7.927 2.506 1.00 0.00 C ATOM 1868 C ALA A 118 -2.820 8.405 1.053 1.00 0.00 C ATOM 1869 O ALA A 118 -2.320 9.491 0.764 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.018 6.664 2.724 1.00 0.00 C ATOM 0 H ALA A 118 -4.463 6.687 3.016 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.416 8.715 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.986 6.854 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.050 6.384 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.423 5.852 2.121 1.00 0.00 H new ATOM 1876 N SER A 119 -3.360 7.570 0.177 1.00 0.00 N ATOM 1877 CA SER A 119 -3.399 7.893 -1.239 1.00 0.00 C ATOM 1878 C SER A 119 -3.957 9.304 -1.438 1.00 0.00 C ATOM 1879 O SER A 119 -3.594 9.990 -2.392 1.00 0.00 O ATOM 1880 CB SER A 119 -4.239 6.875 -2.013 1.00 0.00 C ATOM 1881 OG SER A 119 -5.633 7.037 -1.769 1.00 0.00 O ATOM 0 H SER A 119 -3.774 6.670 0.421 1.00 0.00 H new ATOM 0 HA SER A 119 -2.381 7.854 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.043 6.980 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.937 5.866 -1.731 1.00 0.00 H new ATOM 0 HG SER A 119 -5.764 7.485 -0.908 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.832 9.694 -0.523 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.444 11.010 -0.586 1.00 0.00 C ATOM 1889 C ARG A 120 -4.381 12.099 -0.422 1.00 0.00 C ATOM 1890 O ARG A 120 -4.428 13.124 -1.100 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.507 11.176 0.502 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.868 10.671 0.020 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.454 11.601 -1.044 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.762 11.085 -1.503 1.00 0.00 N ATOM 1895 CZ ARG A 120 -9.911 10.168 -2.469 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -8.834 9.662 -3.084 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.137 9.758 -2.821 1.00 0.00 N ATOM 0 H ARG A 120 -5.132 9.122 0.266 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.921 11.107 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.207 10.628 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.584 12.226 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.763 9.666 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.554 10.601 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.573 12.605 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.768 11.679 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.603 11.450 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.900 9.975 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.947 8.964 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.958 10.144 -2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.250 9.060 -3.556 1.00 0.00 H new