USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 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 92 GLN : amide:sc= 0.511 K(o=-2.3,f=-4.8!) USER MOD Set 1.2: B 87 HIS : no HE2:sc= -2.8! K(o=-2.3!,f=-4.9) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 176:sc= 1.16 (180deg=-0.104) USER MOD Set 2.2: A 87 HIS : no HE2:sc= 0.244 K(o=1.1,f=-10!) USER MOD Set 2.3: A 90 ASN : amide:sc= -0.34 K(o=1.1,f=-0.06) USER MOD Set 3.1: A 83 MET CE :methyl 177:sc= -0.633 (180deg=-0.698) USER MOD Set 3.2: A 86 LYS NZ :NH3+ -179:sc= 1.37 (180deg=1.36) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0845 (180deg=-0.478) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 53 SER OG : rot 71:sc= 1.27 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.00226 K(o=0.0023,f=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 90:sc= 1.17 USER MOD Single : A 72 HIS : no HD1:sc= -0.805 K(o=-0.81,f=-2.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 95:sc= 0.116 USER MOD Single : B 44 LYS NZ :NH3+ -164:sc= -0.0238 (180deg=-0.292) USER MOD Single : B 51 ASN : amide:sc= 0.757 K(o=0.76,f=-0.17) USER MOD Single : B 53 SER OG : rot 69:sc= 1.3 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= 0.362 X(o=0.36,f=-0.015) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 94:sc= 1.25 USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0.0105 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 72 HIS : no HE2:sc= 0.1 K(o=0.1,f=-2.9!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.21) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 164:sc= -0.139 (180deg=-0.559) USER MOD Single : B 84 THR OG1 : rot 88:sc= -0.344 USER MOD Single : B 86 LYS NZ :NH3+ 148:sc= 0.591 (180deg=0.137) USER MOD Single : B 90 ASN : amide:sc= 0.175 K(o=0.17,f=-2.2!) USER MOD Single : B 92 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.6!) USER MOD Single : B 95 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -19.110 4.151 10.605 1.00 0.00 N ATOM 269 CA MET A 42 -19.014 2.862 9.940 1.00 0.00 C ATOM 270 C MET A 42 -17.622 2.571 9.454 1.00 0.00 C ATOM 271 O MET A 42 -17.156 1.454 9.569 1.00 0.00 O ATOM 272 CB MET A 42 -20.003 2.738 8.814 1.00 0.00 C ATOM 273 CG MET A 42 -21.434 2.788 9.274 1.00 0.00 C ATOM 274 SD MET A 42 -21.871 1.428 10.396 1.00 0.00 S ATOM 275 CE MET A 42 -21.617 -0.004 9.333 1.00 0.00 C ATOM 0 HA MET A 42 -19.262 2.114 10.693 1.00 0.00 H new ATOM 0 HB2 MET A 42 -19.830 3.541 8.097 1.00 0.00 H new ATOM 0 HB3 MET A 42 -19.830 1.799 8.289 1.00 0.00 H new ATOM 0 HG2 MET A 42 -21.614 3.738 9.777 1.00 0.00 H new ATOM 0 HG3 MET A 42 -22.090 2.758 8.404 1.00 0.00 H new ATOM 0 HE1 MET A 42 -22.121 -0.870 9.763 1.00 0.00 H new ATOM 0 HE2 MET A 42 -22.027 0.200 8.344 1.00 0.00 H new ATOM 0 HE3 MET A 42 -20.550 -0.210 9.249 1.00 0.00 H new ATOM 285 N GLU A 43 -16.946 3.569 8.942 1.00 0.00 N ATOM 286 CA GLU A 43 -15.581 3.365 8.482 1.00 0.00 C ATOM 287 C GLU A 43 -14.618 3.237 9.660 1.00 0.00 C ATOM 288 O GLU A 43 -13.542 2.662 9.529 1.00 0.00 O ATOM 289 CB GLU A 43 -15.105 4.426 7.482 1.00 0.00 C ATOM 290 CG GLU A 43 -15.052 5.839 8.011 1.00 0.00 C ATOM 291 CD GLU A 43 -14.483 6.795 7.006 1.00 0.00 C ATOM 292 OE1 GLU A 43 -15.209 7.271 6.112 1.00 0.00 O ATOM 293 OE2 GLU A 43 -13.276 7.092 7.077 1.00 0.00 O ATOM 0 H GLU A 43 -17.304 4.518 8.831 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.584 2.423 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.110 4.150 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.765 4.406 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.056 6.160 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.447 5.864 8.918 1.00 0.00 H new ATOM 300 N LYS A 44 -15.019 3.759 10.816 1.00 0.00 N ATOM 301 CA LYS A 44 -14.234 3.615 12.033 1.00 0.00 C ATOM 302 C LYS A 44 -14.313 2.141 12.437 1.00 0.00 C ATOM 303 O LYS A 44 -13.318 1.517 12.818 1.00 0.00 O ATOM 304 CB LYS A 44 -14.814 4.536 13.138 1.00 0.00 C ATOM 305 CG LYS A 44 -13.912 4.807 14.360 1.00 0.00 C ATOM 306 CD LYS A 44 -13.692 3.600 15.273 1.00 0.00 C ATOM 307 CE LYS A 44 -14.995 3.105 15.887 1.00 0.00 C ATOM 308 NZ LYS A 44 -14.765 2.027 16.868 1.00 0.00 N ATOM 0 H LYS A 44 -15.885 4.286 10.933 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.195 3.906 11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.068 5.494 12.684 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.745 4.095 13.494 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.943 5.160 14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.351 5.614 14.947 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.230 2.794 14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.996 3.868 16.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.506 3.936 16.373 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.654 2.743 15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.676 1.717 17.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.300 1.224 16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.157 2.379 17.635 1.00 0.00 H new ATOM 322 N ARG A 45 -15.506 1.599 12.318 1.00 0.00 N ATOM 323 CA ARG A 45 -15.762 0.194 12.575 1.00 0.00 C ATOM 324 C ARG A 45 -15.013 -0.663 11.559 1.00 0.00 C ATOM 325 O ARG A 45 -14.329 -1.620 11.921 1.00 0.00 O ATOM 326 CB ARG A 45 -17.266 -0.067 12.510 1.00 0.00 C ATOM 327 CG ARG A 45 -18.030 0.522 13.682 1.00 0.00 C ATOM 328 CD ARG A 45 -19.525 0.535 13.431 1.00 0.00 C ATOM 329 NE ARG A 45 -20.264 0.860 14.651 1.00 0.00 N ATOM 330 CZ ARG A 45 -21.569 1.166 14.722 1.00 0.00 C ATOM 331 NH1 ARG A 45 -22.319 1.235 13.620 1.00 0.00 N ATOM 332 NH2 ARG A 45 -22.114 1.417 15.901 1.00 0.00 N ATOM 0 H ARG A 45 -16.334 2.124 12.038 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.406 -0.071 13.570 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.660 0.349 11.583 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.440 -1.143 12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.818 -0.056 14.581 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.684 1.539 13.867 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.760 1.264 12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.842 -0.439 13.059 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.741 0.853 15.526 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -21.902 1.054 12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -23.309 1.469 13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -21.543 1.377 16.746 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -23.105 1.650 15.966 1.00 0.00 H new ATOM 346 N ARG A 46 -15.126 -0.279 10.296 1.00 0.00 N ATOM 347 CA ARG A 46 -14.455 -0.948 9.200 1.00 0.00 C ATOM 348 C ARG A 46 -12.937 -0.995 9.409 1.00 0.00 C ATOM 349 O ARG A 46 -12.359 -2.070 9.345 1.00 0.00 O ATOM 350 CB ARG A 46 -14.788 -0.281 7.861 1.00 0.00 C ATOM 351 CG ARG A 46 -14.075 -0.907 6.674 1.00 0.00 C ATOM 352 CD ARG A 46 -14.281 -0.104 5.406 1.00 0.00 C ATOM 353 NE ARG A 46 -15.573 -0.353 4.748 1.00 0.00 N ATOM 354 CZ ARG A 46 -16.158 0.484 3.880 1.00 0.00 C ATOM 355 NH1 ARG A 46 -15.776 1.765 3.803 1.00 0.00 N ATOM 356 NH2 ARG A 46 -17.127 0.029 3.096 1.00 0.00 N ATOM 0 H ARG A 46 -15.694 0.516 10.004 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.822 -1.974 9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.864 -0.334 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.525 0.775 7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.009 -0.981 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.441 -1.923 6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.203 0.957 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.477 -0.335 4.707 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.057 -1.223 4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.033 2.113 4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.228 2.393 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.418 -0.947 3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.581 0.655 2.431 1.00 0.00 H new ATOM 370 N ARG A 47 -12.299 0.164 9.682 1.00 0.00 N ATOM 371 CA ARG A 47 -10.830 0.205 9.860 1.00 0.00 C ATOM 372 C ARG A 47 -10.365 -0.696 10.974 1.00 0.00 C ATOM 373 O ARG A 47 -9.331 -1.340 10.842 1.00 0.00 O ATOM 374 CB ARG A 47 -10.240 1.616 10.056 1.00 0.00 C ATOM 375 CG ARG A 47 -10.764 2.381 11.254 1.00 0.00 C ATOM 376 CD ARG A 47 -9.857 3.543 11.615 1.00 0.00 C ATOM 377 NE ARG A 47 -8.597 3.084 12.244 1.00 0.00 N ATOM 378 CZ ARG A 47 -7.382 3.630 12.067 1.00 0.00 C ATOM 379 NH1 ARG A 47 -7.212 4.640 11.215 1.00 0.00 N ATOM 380 NH2 ARG A 47 -6.336 3.163 12.752 1.00 0.00 N ATOM 0 H ARG A 47 -12.765 1.066 9.782 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.446 -0.164 8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.157 1.529 10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.438 2.202 9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.765 2.754 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.851 1.708 12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.627 4.117 10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.380 4.214 12.297 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.657 2.280 12.869 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.008 5.005 10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.286 5.049 11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.459 2.393 13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.413 3.577 12.619 1.00 0.00 H new ATOM 394 N ALA A 48 -11.136 -0.759 12.056 1.00 0.00 N ATOM 395 CA ALA A 48 -10.801 -1.607 13.170 1.00 0.00 C ATOM 396 C ALA A 48 -10.733 -3.043 12.699 1.00 0.00 C ATOM 397 O ALA A 48 -9.740 -3.718 12.894 1.00 0.00 O ATOM 398 CB ALA A 48 -11.821 -1.448 14.288 1.00 0.00 C ATOM 0 H ALA A 48 -11.998 -0.226 12.174 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.828 -1.317 13.567 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.551 -2.097 15.121 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.834 -0.411 14.624 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.810 -1.722 13.920 1.00 0.00 H new ATOM 404 N ARG A 49 -11.767 -3.463 11.993 1.00 0.00 N ATOM 405 CA ARG A 49 -11.859 -4.816 11.473 1.00 0.00 C ATOM 406 C ARG A 49 -10.731 -5.079 10.462 1.00 0.00 C ATOM 407 O ARG A 49 -10.159 -6.172 10.436 1.00 0.00 O ATOM 408 CB ARG A 49 -13.231 -5.048 10.823 1.00 0.00 C ATOM 409 CG ARG A 49 -14.445 -4.787 11.722 1.00 0.00 C ATOM 410 CD ARG A 49 -14.636 -5.819 12.842 1.00 0.00 C ATOM 411 NE ARG A 49 -13.508 -5.908 13.781 1.00 0.00 N ATOM 412 CZ ARG A 49 -13.365 -5.173 14.897 1.00 0.00 C ATOM 413 NH1 ARG A 49 -14.177 -4.144 15.147 1.00 0.00 N ATOM 414 NH2 ARG A 49 -12.395 -5.459 15.748 1.00 0.00 N ATOM 0 H ARG A 49 -12.568 -2.875 11.763 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.749 -5.515 12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.309 -4.408 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.277 -6.079 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.345 -3.798 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.343 -4.769 11.104 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.539 -5.570 13.399 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.798 -6.799 12.393 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.774 -6.583 13.568 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.918 -3.907 14.487 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.057 -3.595 15.998 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.760 -6.234 15.556 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.281 -4.905 16.597 1.00 0.00 H new ATOM 428 N ILE A 50 -10.425 -4.069 9.633 1.00 0.00 N ATOM 429 CA ILE A 50 -9.333 -4.137 8.662 1.00 0.00 C ATOM 430 C ILE A 50 -8.011 -4.407 9.367 1.00 0.00 C ATOM 431 O ILE A 50 -7.352 -5.416 9.103 1.00 0.00 O ATOM 432 CB ILE A 50 -9.222 -2.811 7.844 1.00 0.00 C ATOM 433 CG1 ILE A 50 -10.461 -2.613 6.978 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.957 -2.785 6.979 1.00 0.00 C ATOM 435 CD1 ILE A 50 -10.527 -1.267 6.307 1.00 0.00 C ATOM 0 H ILE A 50 -10.931 -3.183 9.621 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.553 -4.954 7.975 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.154 -1.989 8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.487 -3.390 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.349 -2.744 7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.914 -1.847 6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.078 -2.869 7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.978 -3.620 6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.436 -1.203 5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.534 -0.483 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.658 -1.140 5.661 1.00 0.00 H new ATOM 447 N ASN A 51 -7.670 -3.535 10.297 1.00 0.00 N ATOM 448 CA ASN A 51 -6.402 -3.610 11.023 1.00 0.00 C ATOM 449 C ASN A 51 -6.305 -4.891 11.781 1.00 0.00 C ATOM 450 O ASN A 51 -5.284 -5.551 11.747 1.00 0.00 O ATOM 451 CB ASN A 51 -6.238 -2.436 11.979 1.00 0.00 C ATOM 452 CG ASN A 51 -6.216 -1.117 11.270 1.00 0.00 C ATOM 453 OD1 ASN A 51 -5.739 -0.995 10.143 1.00 0.00 O ATOM 454 ND2 ASN A 51 -6.753 -0.124 11.892 1.00 0.00 N ATOM 0 H ASN A 51 -8.260 -2.751 10.576 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.601 -3.568 10.285 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.054 -2.443 12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.313 -2.557 12.543 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.791 0.794 11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.140 -0.257 12.826 1.00 0.00 H new ATOM 461 N GLU A 52 -7.386 -5.255 12.448 1.00 0.00 N ATOM 462 CA GLU A 52 -7.450 -6.521 13.189 1.00 0.00 C ATOM 463 C GLU A 52 -7.194 -7.732 12.285 1.00 0.00 C ATOM 464 O GLU A 52 -6.500 -8.687 12.680 1.00 0.00 O ATOM 465 CB GLU A 52 -8.793 -6.693 13.910 1.00 0.00 C ATOM 466 CG GLU A 52 -9.036 -5.701 15.033 1.00 0.00 C ATOM 467 CD GLU A 52 -7.947 -5.741 16.071 1.00 0.00 C ATOM 468 OE1 GLU A 52 -7.720 -6.803 16.666 1.00 0.00 O ATOM 469 OE2 GLU A 52 -7.316 -4.703 16.328 1.00 0.00 O ATOM 0 H GLU A 52 -8.238 -4.696 12.497 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.656 -6.473 13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.597 -6.601 13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.846 -7.703 14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.104 -4.695 14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.994 -5.917 15.505 1.00 0.00 H new ATOM 476 N SER A 53 -7.711 -7.689 11.068 1.00 0.00 N ATOM 477 CA SER A 53 -7.553 -8.789 10.167 1.00 0.00 C ATOM 478 C SER A 53 -6.143 -8.807 9.571 1.00 0.00 C ATOM 479 O SER A 53 -5.543 -9.860 9.448 1.00 0.00 O ATOM 480 CB SER A 53 -8.634 -8.756 9.099 1.00 0.00 C ATOM 481 OG SER A 53 -9.922 -8.781 9.708 1.00 0.00 O ATOM 0 H SER A 53 -8.240 -6.901 10.694 1.00 0.00 H new ATOM 0 HA SER A 53 -7.672 -9.721 10.720 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.528 -7.858 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.522 -9.610 8.430 1.00 0.00 H new ATOM 0 HG SER A 53 -10.089 -7.925 10.155 1.00 0.00 H new ATOM 487 N LEU A 54 -5.609 -7.626 9.254 1.00 0.00 N ATOM 488 CA LEU A 54 -4.262 -7.491 8.709 1.00 0.00 C ATOM 489 C LEU A 54 -3.249 -7.940 9.785 1.00 0.00 C ATOM 490 O LEU A 54 -2.253 -8.616 9.492 1.00 0.00 O ATOM 491 CB LEU A 54 -4.035 -6.006 8.323 1.00 0.00 C ATOM 492 CG LEU A 54 -3.032 -5.699 7.189 1.00 0.00 C ATOM 493 CD1 LEU A 54 -3.046 -4.211 6.855 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.611 -6.142 7.520 1.00 0.00 C ATOM 0 H LEU A 54 -6.099 -6.739 9.369 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.132 -8.111 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.999 -5.583 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.703 -5.475 9.216 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.356 -6.275 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.334 -4.011 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.046 -3.920 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.768 -3.637 7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.951 -5.901 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.268 -5.625 8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.597 -7.218 7.694 1.00 0.00 H new ATOM 506 N SER A 55 -3.546 -7.583 11.022 1.00 0.00 N ATOM 507 CA SER A 55 -2.730 -7.908 12.162 1.00 0.00 C ATOM 508 C SER A 55 -2.594 -9.424 12.317 1.00 0.00 C ATOM 509 O SER A 55 -1.479 -9.955 12.302 1.00 0.00 O ATOM 510 CB SER A 55 -3.322 -7.268 13.430 1.00 0.00 C ATOM 511 OG SER A 55 -2.485 -7.453 14.557 1.00 0.00 O ATOM 0 H SER A 55 -4.381 -7.048 11.259 1.00 0.00 H new ATOM 0 HA SER A 55 -1.730 -7.503 12.008 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.473 -6.202 13.261 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.302 -7.701 13.631 1.00 0.00 H new ATOM 0 HG SER A 55 -2.894 -7.031 15.341 1.00 0.00 H new ATOM 517 N GLN A 56 -3.717 -10.128 12.412 1.00 0.00 N ATOM 518 CA GLN A 56 -3.680 -11.579 12.580 1.00 0.00 C ATOM 519 C GLN A 56 -3.100 -12.257 11.331 1.00 0.00 C ATOM 520 O GLN A 56 -2.452 -13.287 11.430 1.00 0.00 O ATOM 521 CB GLN A 56 -5.068 -12.136 12.917 1.00 0.00 C ATOM 522 CG GLN A 56 -6.091 -11.968 11.817 1.00 0.00 C ATOM 523 CD GLN A 56 -7.462 -12.432 12.217 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.816 -13.600 12.044 1.00 0.00 O ATOM 525 NE2 GLN A 56 -8.244 -11.533 12.753 1.00 0.00 N ATOM 0 H GLN A 56 -4.654 -9.725 12.376 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.024 -11.802 13.421 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.974 -13.197 13.150 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.436 -11.643 13.817 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.138 -10.918 11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.767 -12.525 10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.911 -10.577 12.878 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.187 -11.787 13.046 1.00 0.00 H new ATOM 534 N LEU A 57 -3.300 -11.626 10.185 1.00 0.00 N ATOM 535 CA LEU A 57 -2.825 -12.114 8.901 1.00 0.00 C ATOM 536 C LEU A 57 -1.303 -12.251 8.899 1.00 0.00 C ATOM 537 O LEU A 57 -0.776 -13.354 8.740 1.00 0.00 O ATOM 538 CB LEU A 57 -3.362 -11.168 7.796 1.00 0.00 C ATOM 539 CG LEU A 57 -3.019 -11.458 6.338 1.00 0.00 C ATOM 540 CD1 LEU A 57 -4.180 -11.036 5.450 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.806 -10.664 5.936 1.00 0.00 C ATOM 0 H LEU A 57 -3.807 -10.743 10.121 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.203 -13.117 8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.449 -11.149 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.007 -10.163 8.023 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.824 -12.525 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.935 -11.243 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.074 -11.593 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.364 -9.969 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.563 -10.873 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.012 -9.600 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.963 -10.943 6.568 1.00 0.00 H new ATOM 553 N LYS A 58 -0.609 -11.151 9.152 1.00 0.00 N ATOM 554 CA LYS A 58 0.860 -11.160 9.209 1.00 0.00 C ATOM 555 C LYS A 58 1.362 -12.067 10.342 1.00 0.00 C ATOM 556 O LYS A 58 2.438 -12.669 10.243 1.00 0.00 O ATOM 557 CB LYS A 58 1.432 -9.734 9.392 1.00 0.00 C ATOM 558 CG LYS A 58 1.034 -9.068 10.697 1.00 0.00 C ATOM 559 CD LYS A 58 1.670 -7.707 10.878 1.00 0.00 C ATOM 560 CE LYS A 58 1.266 -7.122 12.220 1.00 0.00 C ATOM 561 NZ LYS A 58 1.862 -5.800 12.467 1.00 0.00 N ATOM 0 H LYS A 58 -1.031 -10.238 9.322 1.00 0.00 H new ATOM 0 HA LYS A 58 1.213 -11.553 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.520 -9.781 9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.098 -9.111 8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.051 -8.965 10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.319 -9.711 11.530 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.755 -7.793 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.360 -7.041 10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.180 -7.040 12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.566 -7.805 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.553 -5.448 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.899 -5.879 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.556 -5.137 11.726 1.00 0.00 H new ATOM 575 N THR A 59 0.565 -12.173 11.398 1.00 0.00 N ATOM 576 CA THR A 59 0.921 -12.964 12.544 1.00 0.00 C ATOM 577 C THR A 59 0.896 -14.454 12.200 1.00 0.00 C ATOM 578 O THR A 59 1.901 -15.125 12.330 1.00 0.00 O ATOM 579 CB THR A 59 -0.015 -12.670 13.744 1.00 0.00 C ATOM 580 OG1 THR A 59 0.001 -11.257 14.024 1.00 0.00 O ATOM 581 CG2 THR A 59 0.440 -13.415 14.990 1.00 0.00 C ATOM 0 H THR A 59 -0.341 -11.710 11.473 1.00 0.00 H new ATOM 0 HA THR A 59 1.935 -12.690 12.834 1.00 0.00 H new ATOM 0 HB THR A 59 -1.020 -13.001 13.481 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.790 -10.836 13.628 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.235 -13.190 15.816 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.431 -14.488 14.796 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.451 -13.102 15.252 1.00 0.00 H new ATOM 589 N LEU A 60 -0.232 -14.944 11.696 1.00 0.00 N ATOM 590 CA LEU A 60 -0.375 -16.362 11.390 1.00 0.00 C ATOM 591 C LEU A 60 0.510 -16.802 10.257 1.00 0.00 C ATOM 592 O LEU A 60 0.947 -17.942 10.231 1.00 0.00 O ATOM 593 CB LEU A 60 -1.837 -16.794 11.175 1.00 0.00 C ATOM 594 CG LEU A 60 -2.666 -17.092 12.446 1.00 0.00 C ATOM 595 CD1 LEU A 60 -2.059 -18.244 13.242 1.00 0.00 C ATOM 596 CD2 LEU A 60 -2.811 -15.864 13.328 1.00 0.00 C ATOM 0 H LEU A 60 -1.058 -14.382 11.491 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.031 -16.884 12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.345 -16.010 10.613 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.840 -17.687 10.550 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.662 -17.385 12.113 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.663 -18.431 14.130 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.036 -19.141 12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.044 -17.984 13.542 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.400 -16.117 14.210 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.824 -15.520 13.637 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.313 -15.073 12.771 1.00 0.00 H new ATOM 608 N ILE A 61 0.796 -15.910 9.339 1.00 0.00 N ATOM 609 CA ILE A 61 1.727 -16.213 8.278 1.00 0.00 C ATOM 610 C ILE A 61 3.115 -16.476 8.864 1.00 0.00 C ATOM 611 O ILE A 61 3.713 -17.524 8.636 1.00 0.00 O ATOM 612 CB ILE A 61 1.771 -15.083 7.203 1.00 0.00 C ATOM 613 CG1 ILE A 61 0.473 -15.085 6.385 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.992 -15.199 6.291 1.00 0.00 C ATOM 615 CD1 ILE A 61 0.230 -16.370 5.596 1.00 0.00 C ATOM 0 H ILE A 61 0.399 -14.971 9.305 1.00 0.00 H new ATOM 0 HA ILE A 61 1.383 -17.114 7.771 1.00 0.00 H new ATOM 0 HB ILE A 61 1.860 -14.131 7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.368 -14.922 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.493 -14.245 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.978 -14.391 5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.901 -15.132 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.969 -16.158 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.708 -16.288 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.049 -16.527 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.175 -17.214 6.283 1.00 0.00 H new ATOM 627 N LEU A 62 3.583 -15.581 9.694 1.00 0.00 N ATOM 628 CA LEU A 62 4.907 -15.724 10.250 1.00 0.00 C ATOM 629 C LEU A 62 4.911 -16.860 11.300 1.00 0.00 C ATOM 630 O LEU A 62 5.912 -17.474 11.536 1.00 0.00 O ATOM 631 CB LEU A 62 5.366 -14.386 10.867 1.00 0.00 C ATOM 632 CG LEU A 62 6.860 -13.992 10.701 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.809 -15.003 11.322 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.202 -13.749 9.226 1.00 0.00 C ATOM 0 H LEU A 62 3.074 -14.751 9.999 1.00 0.00 H new ATOM 0 HA LEU A 62 5.610 -15.988 9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.759 -13.591 10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.142 -14.414 11.933 1.00 0.00 H new ATOM 0 HG LEU A 62 6.999 -13.060 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.838 -14.675 11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.604 -15.087 12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.667 -15.974 10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.253 -13.475 9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.014 -14.658 8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.582 -12.941 8.837 1.00 0.00 H new ATOM 646 N ASP A 63 3.767 -17.144 11.859 1.00 0.00 N ATOM 647 CA ASP A 63 3.624 -18.158 12.919 1.00 0.00 C ATOM 648 C ASP A 63 3.505 -19.577 12.375 1.00 0.00 C ATOM 649 O ASP A 63 3.942 -20.525 13.010 1.00 0.00 O ATOM 650 CB ASP A 63 2.387 -17.875 13.707 1.00 0.00 C ATOM 651 CG ASP A 63 2.326 -18.604 15.031 1.00 0.00 C ATOM 652 OD1 ASP A 63 3.002 -18.160 15.997 1.00 0.00 O ATOM 653 OD2 ASP A 63 1.577 -19.590 15.155 1.00 0.00 O ATOM 0 H ASP A 63 2.891 -16.687 11.605 1.00 0.00 H new ATOM 0 HA ASP A 63 4.525 -18.099 13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.322 -16.802 13.890 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.517 -18.150 13.111 1.00 0.00 H new ATOM 658 N ALA A 64 2.870 -19.736 11.229 1.00 0.00 N ATOM 659 CA ALA A 64 2.649 -21.066 10.679 1.00 0.00 C ATOM 660 C ALA A 64 3.855 -21.506 9.914 1.00 0.00 C ATOM 661 O ALA A 64 4.253 -22.673 9.934 1.00 0.00 O ATOM 662 CB ALA A 64 1.421 -21.072 9.780 1.00 0.00 C ATOM 0 H ALA A 64 2.500 -18.972 10.664 1.00 0.00 H new ATOM 0 HA ALA A 64 2.477 -21.762 11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.270 -22.073 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.545 -20.778 10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.567 -20.369 8.960 1.00 0.00 H new ATOM 668 N LEU A 65 4.461 -20.553 9.282 1.00 0.00 N ATOM 669 CA LEU A 65 5.541 -20.804 8.377 1.00 0.00 C ATOM 670 C LEU A 65 6.864 -20.585 9.061 1.00 0.00 C ATOM 671 O LEU A 65 7.850 -21.232 8.724 1.00 0.00 O ATOM 672 CB LEU A 65 5.343 -19.880 7.211 1.00 0.00 C ATOM 673 CG LEU A 65 3.932 -19.978 6.620 1.00 0.00 C ATOM 674 CD1 LEU A 65 3.596 -18.765 5.829 1.00 0.00 C ATOM 675 CD2 LEU A 65 3.768 -21.235 5.783 1.00 0.00 C ATOM 0 H LEU A 65 4.219 -19.567 9.379 1.00 0.00 H new ATOM 0 HA LEU A 65 5.549 -21.839 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.531 -18.854 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.075 -20.113 6.438 1.00 0.00 H new ATOM 0 HG LEU A 65 3.232 -20.041 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.590 -18.863 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.643 -17.886 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.309 -18.655 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.756 -21.274 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.486 -21.222 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.944 -22.112 6.406 1.00 0.00 H new ATOM 687 N LYS A 66 6.855 -19.687 10.045 1.00 0.00 N ATOM 688 CA LYS A 66 8.009 -19.372 10.885 1.00 0.00 C ATOM 689 C LYS A 66 9.273 -19.125 10.118 1.00 0.00 C ATOM 690 O LYS A 66 10.176 -19.974 10.048 1.00 0.00 O ATOM 691 CB LYS A 66 8.166 -20.375 12.004 1.00 0.00 C ATOM 692 CG LYS A 66 7.078 -20.244 13.065 1.00 0.00 C ATOM 693 CD LYS A 66 6.896 -21.528 13.837 1.00 0.00 C ATOM 694 CE LYS A 66 6.261 -22.586 12.950 1.00 0.00 C ATOM 695 NZ LYS A 66 5.989 -23.840 13.676 1.00 0.00 N ATOM 0 H LYS A 66 6.025 -19.145 10.286 1.00 0.00 H new ATOM 0 HA LYS A 66 7.797 -18.410 11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.145 -21.383 11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.142 -20.243 12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.335 -19.439 13.753 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.137 -19.968 12.589 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.860 -21.881 14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.269 -21.350 14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.329 -22.199 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.921 -22.793 12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.556 -24.529 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.880 -24.226 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.338 -23.650 14.465 1.00 0.00 H new ATOM 709 N LYS A 67 9.274 -17.998 9.459 1.00 0.00 N ATOM 710 CA LYS A 67 10.415 -17.554 8.709 1.00 0.00 C ATOM 711 C LYS A 67 11.470 -16.997 9.663 1.00 0.00 C ATOM 712 O LYS A 67 12.413 -17.695 10.028 1.00 0.00 O ATOM 713 CB LYS A 67 10.007 -16.515 7.660 1.00 0.00 C ATOM 714 CG LYS A 67 9.025 -17.035 6.618 1.00 0.00 C ATOM 715 CD LYS A 67 8.685 -15.957 5.609 1.00 0.00 C ATOM 716 CE LYS A 67 7.755 -16.477 4.529 1.00 0.00 C ATOM 717 NZ LYS A 67 8.392 -17.491 3.662 1.00 0.00 N ATOM 0 H LYS A 67 8.479 -17.360 9.428 1.00 0.00 H new ATOM 0 HA LYS A 67 10.843 -18.402 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.563 -15.658 8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.902 -16.156 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.455 -17.896 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.115 -17.378 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.217 -15.115 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.601 -15.583 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.870 -16.909 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.416 -15.642 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.692 -17.860 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.180 -17.056 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.752 -18.271 4.247 1.00 0.00 H new ATOM 731 N ASP A 68 11.292 -15.761 10.094 1.00 0.00 N ATOM 732 CA ASP A 68 12.208 -15.143 11.043 1.00 0.00 C ATOM 733 C ASP A 68 11.515 -13.994 11.643 1.00 0.00 C ATOM 734 O ASP A 68 10.679 -13.353 10.987 1.00 0.00 O ATOM 735 CB ASP A 68 13.478 -14.634 10.382 1.00 0.00 C ATOM 736 CG ASP A 68 14.648 -14.434 11.349 1.00 0.00 C ATOM 737 OD1 ASP A 68 14.546 -13.630 12.280 1.00 0.00 O ATOM 738 OD2 ASP A 68 15.698 -15.077 11.167 1.00 0.00 O ATOM 0 H ASP A 68 10.520 -15.162 9.802 1.00 0.00 H new ATOM 0 HA ASP A 68 12.495 -15.894 11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.778 -15.338 9.606 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.263 -13.687 9.887 1.00 0.00 H new ATOM 743 N SER A 69 11.872 -13.695 12.823 1.00 0.00 N ATOM 744 CA SER A 69 11.254 -12.661 13.546 1.00 0.00 C ATOM 745 C SER A 69 11.893 -11.315 13.164 1.00 0.00 C ATOM 746 O SER A 69 11.230 -10.274 13.146 1.00 0.00 O ATOM 747 CB SER A 69 11.363 -12.961 15.048 1.00 0.00 C ATOM 748 OG SER A 69 10.734 -11.980 15.850 1.00 0.00 O ATOM 0 H SER A 69 12.619 -14.172 13.328 1.00 0.00 H new ATOM 0 HA SER A 69 10.194 -12.597 13.300 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.915 -13.933 15.253 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.415 -13.030 15.325 1.00 0.00 H new ATOM 0 HG SER A 69 10.831 -12.219 16.795 1.00 0.00 H new ATOM 754 N SER A 70 13.152 -11.376 12.778 1.00 0.00 N ATOM 755 CA SER A 70 13.930 -10.208 12.439 1.00 0.00 C ATOM 756 C SER A 70 13.390 -9.544 11.173 1.00 0.00 C ATOM 757 O SER A 70 13.101 -8.335 11.153 1.00 0.00 O ATOM 758 CB SER A 70 15.369 -10.651 12.230 1.00 0.00 C ATOM 759 OG SER A 70 15.782 -11.476 13.318 1.00 0.00 O ATOM 0 H SER A 70 13.668 -12.252 12.691 1.00 0.00 H new ATOM 0 HA SER A 70 13.870 -9.475 13.244 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.458 -11.199 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.020 -9.780 12.154 1.00 0.00 H new ATOM 0 HG SER A 70 15.581 -12.413 13.113 1.00 0.00 H new ATOM 765 N ARG A 71 13.194 -10.346 10.136 1.00 0.00 N ATOM 766 CA ARG A 71 12.750 -9.819 8.866 1.00 0.00 C ATOM 767 C ARG A 71 11.256 -9.562 8.856 1.00 0.00 C ATOM 768 O ARG A 71 10.765 -8.882 7.982 1.00 0.00 O ATOM 769 CB ARG A 71 13.240 -10.679 7.672 1.00 0.00 C ATOM 770 CG ARG A 71 12.742 -12.121 7.618 1.00 0.00 C ATOM 771 CD ARG A 71 11.415 -12.274 6.874 1.00 0.00 C ATOM 772 NE ARG A 71 11.500 -11.881 5.447 1.00 0.00 N ATOM 773 CZ ARG A 71 11.550 -12.753 4.408 1.00 0.00 C ATOM 774 NH1 ARG A 71 11.809 -14.052 4.628 1.00 0.00 N ATOM 775 NH2 ARG A 71 11.418 -12.319 3.156 1.00 0.00 N ATOM 0 H ARG A 71 13.336 -11.356 10.154 1.00 0.00 H new ATOM 0 HA ARG A 71 13.221 -8.845 8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.943 -10.181 6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.330 -10.695 7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.496 -12.741 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.626 -12.497 8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.086 -13.311 6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.656 -11.666 7.367 1.00 0.00 H new ATOM 0 HE ARG A 71 11.523 -10.884 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.969 -14.386 5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.846 -14.704 3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.278 -11.325 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.457 -12.980 2.380 1.00 0.00 H new ATOM 789 N HIS A 72 10.537 -10.092 9.864 1.00 0.00 N ATOM 790 CA HIS A 72 9.091 -9.826 10.028 1.00 0.00 C ATOM 791 C HIS A 72 8.867 -8.321 10.148 1.00 0.00 C ATOM 792 O HIS A 72 7.948 -7.752 9.551 1.00 0.00 O ATOM 793 CB HIS A 72 8.534 -10.567 11.275 1.00 0.00 C ATOM 794 CG HIS A 72 7.080 -10.259 11.631 1.00 0.00 C ATOM 795 ND1 HIS A 72 5.984 -10.866 11.049 1.00 0.00 N ATOM 796 CD2 HIS A 72 6.571 -9.392 12.546 1.00 0.00 C ATOM 797 CE1 HIS A 72 4.879 -10.367 11.609 1.00 0.00 C ATOM 798 NE2 HIS A 72 5.176 -9.466 12.529 1.00 0.00 N ATOM 0 H HIS A 72 10.931 -10.706 10.577 1.00 0.00 H new ATOM 0 HA HIS A 72 8.556 -10.199 9.155 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.630 -11.640 11.110 1.00 0.00 H new ATOM 0 HB3 HIS A 72 9.160 -10.319 12.132 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.154 -8.747 13.186 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.874 -10.661 11.345 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.523 -8.936 13.106 1.00 0.00 H new ATOM 806 N SER A 73 9.769 -7.684 10.846 1.00 0.00 N ATOM 807 CA SER A 73 9.721 -6.269 11.066 1.00 0.00 C ATOM 808 C SER A 73 10.354 -5.489 9.894 1.00 0.00 C ATOM 809 O SER A 73 10.660 -4.296 10.009 1.00 0.00 O ATOM 810 CB SER A 73 10.424 -5.972 12.375 1.00 0.00 C ATOM 811 OG SER A 73 9.871 -6.774 13.421 1.00 0.00 O ATOM 0 H SER A 73 10.568 -8.143 11.283 1.00 0.00 H new ATOM 0 HA SER A 73 8.683 -5.942 11.122 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.491 -6.172 12.278 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.319 -4.915 12.622 1.00 0.00 H new ATOM 0 HG SER A 73 10.332 -6.577 14.263 1.00 0.00 H new ATOM 817 N LYS A 74 10.547 -6.164 8.776 1.00 0.00 N ATOM 818 CA LYS A 74 11.057 -5.531 7.582 1.00 0.00 C ATOM 819 C LYS A 74 10.187 -5.930 6.379 1.00 0.00 C ATOM 820 O LYS A 74 10.540 -5.734 5.213 1.00 0.00 O ATOM 821 CB LYS A 74 12.558 -5.845 7.366 1.00 0.00 C ATOM 822 CG LYS A 74 13.256 -5.148 6.158 1.00 0.00 C ATOM 823 CD LYS A 74 13.231 -3.604 6.206 1.00 0.00 C ATOM 824 CE LYS A 74 11.928 -3.023 5.641 1.00 0.00 C ATOM 825 NZ LYS A 74 11.922 -1.544 5.622 1.00 0.00 N ATOM 0 H LYS A 74 10.355 -7.161 8.674 1.00 0.00 H new ATOM 0 HA LYS A 74 10.997 -4.449 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.096 -5.571 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.665 -6.923 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.293 -5.481 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.775 -5.478 5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.356 -3.273 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.076 -3.212 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.778 -3.396 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.088 -3.378 6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.020 -1.205 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.037 -1.184 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.706 -1.201 5.030 1.00 0.00 H new ATOM 839 N LEU A 75 9.049 -6.479 6.657 1.00 0.00 N ATOM 840 CA LEU A 75 8.108 -6.713 5.615 1.00 0.00 C ATOM 841 C LEU A 75 7.316 -5.453 5.429 1.00 0.00 C ATOM 842 O LEU A 75 6.805 -4.876 6.405 1.00 0.00 O ATOM 843 CB LEU A 75 7.145 -7.894 5.870 1.00 0.00 C ATOM 844 CG LEU A 75 7.552 -9.292 5.360 1.00 0.00 C ATOM 845 CD1 LEU A 75 8.493 -9.999 6.298 1.00 0.00 C ATOM 846 CD2 LEU A 75 6.323 -10.141 5.085 1.00 0.00 C ATOM 0 H LEU A 75 8.752 -6.771 7.588 1.00 0.00 H new ATOM 0 HA LEU A 75 8.673 -6.990 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.985 -7.966 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.184 -7.643 5.421 1.00 0.00 H new ATOM 0 HG LEU A 75 8.093 -9.144 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.746 -10.977 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.402 -9.408 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.013 -10.124 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.632 -11.123 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.747 -10.255 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.707 -9.655 4.328 1.00 0.00 H new ATOM 858 N GLU A 76 7.270 -4.980 4.226 1.00 0.00 N ATOM 859 CA GLU A 76 6.463 -3.841 3.911 1.00 0.00 C ATOM 860 C GLU A 76 5.049 -4.362 3.767 1.00 0.00 C ATOM 861 O GLU A 76 4.891 -5.545 3.499 1.00 0.00 O ATOM 862 CB GLU A 76 6.939 -3.215 2.606 1.00 0.00 C ATOM 863 CG GLU A 76 8.439 -2.929 2.568 1.00 0.00 C ATOM 864 CD GLU A 76 8.844 -2.182 1.323 1.00 0.00 C ATOM 865 OE1 GLU A 76 8.920 -2.799 0.245 1.00 0.00 O ATOM 866 OE2 GLU A 76 9.120 -0.972 1.399 1.00 0.00 O ATOM 0 H GLU A 76 7.787 -5.368 3.437 1.00 0.00 H new ATOM 0 HA GLU A 76 6.524 -3.073 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.685 -3.881 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.397 -2.283 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.719 -2.347 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.988 -3.869 2.621 1.00 0.00 H new ATOM 873 N LYS A 77 4.031 -3.524 3.943 1.00 0.00 N ATOM 874 CA LYS A 77 2.623 -3.982 3.862 1.00 0.00 C ATOM 875 C LYS A 77 2.340 -4.788 2.597 1.00 0.00 C ATOM 876 O LYS A 77 1.650 -5.807 2.625 1.00 0.00 O ATOM 877 CB LYS A 77 1.681 -2.813 3.977 1.00 0.00 C ATOM 878 CG LYS A 77 0.215 -3.183 3.818 1.00 0.00 C ATOM 879 CD LYS A 77 -0.690 -2.200 4.537 1.00 0.00 C ATOM 880 CE LYS A 77 -0.457 -0.817 4.018 1.00 0.00 C ATOM 881 NZ LYS A 77 -1.177 0.216 4.784 1.00 0.00 N ATOM 0 H LYS A 77 4.140 -2.529 4.142 1.00 0.00 H new ATOM 0 HA LYS A 77 2.456 -4.654 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.822 -2.340 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.943 -2.073 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.042 -3.208 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.048 -4.186 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.733 -2.481 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.497 -2.232 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.611 -0.601 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.768 -0.770 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.977 1.152 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.199 0.031 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.864 0.195 5.775 1.00 0.00 H new ATOM 895 N ALA A 78 2.925 -4.337 1.519 1.00 0.00 N ATOM 896 CA ALA A 78 2.855 -4.996 0.225 1.00 0.00 C ATOM 897 C ALA A 78 3.370 -6.424 0.314 1.00 0.00 C ATOM 898 O ALA A 78 2.781 -7.345 -0.235 1.00 0.00 O ATOM 899 CB ALA A 78 3.698 -4.222 -0.773 1.00 0.00 C ATOM 0 H ALA A 78 3.479 -3.481 1.508 1.00 0.00 H new ATOM 0 HA ALA A 78 1.814 -5.022 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.650 -4.711 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.317 -3.204 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.733 -4.195 -0.431 1.00 0.00 H new ATOM 905 N ASP A 79 4.425 -6.594 1.075 1.00 0.00 N ATOM 906 CA ASP A 79 5.112 -7.871 1.166 1.00 0.00 C ATOM 907 C ASP A 79 4.354 -8.787 2.105 1.00 0.00 C ATOM 908 O ASP A 79 4.310 -9.985 1.893 1.00 0.00 O ATOM 909 CB ASP A 79 6.577 -7.691 1.603 1.00 0.00 C ATOM 910 CG ASP A 79 7.505 -8.752 1.014 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.885 -8.617 -0.187 1.00 0.00 O ATOM 912 OD2 ASP A 79 7.896 -9.705 1.710 1.00 0.00 O ATOM 0 H ASP A 79 4.834 -5.857 1.649 1.00 0.00 H new ATOM 0 HA ASP A 79 5.137 -8.331 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.923 -6.703 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.634 -7.728 2.691 1.00 0.00 H new ATOM 917 N ILE A 80 3.717 -8.199 3.138 1.00 0.00 N ATOM 918 CA ILE A 80 2.851 -8.972 4.043 1.00 0.00 C ATOM 919 C ILE A 80 1.688 -9.571 3.257 1.00 0.00 C ATOM 920 O ILE A 80 1.443 -10.784 3.315 1.00 0.00 O ATOM 921 CB ILE A 80 2.284 -8.146 5.272 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.345 -7.870 6.336 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.090 -8.821 5.914 1.00 0.00 C ATOM 924 CD1 ILE A 80 3.917 -6.491 6.295 1.00 0.00 C ATOM 0 H ILE A 80 3.786 -7.206 3.362 1.00 0.00 H new ATOM 0 HA ILE A 80 3.485 -9.752 4.466 1.00 0.00 H new ATOM 0 HB ILE A 80 1.964 -7.192 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.908 -8.040 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.155 -8.590 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.737 -8.218 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.292 -8.924 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.380 -9.808 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.661 -6.382 7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.387 -6.321 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.121 -5.762 6.445 1.00 0.00 H new ATOM 936 N LEU A 81 1.001 -8.727 2.498 1.00 0.00 N ATOM 937 CA LEU A 81 -0.149 -9.159 1.720 1.00 0.00 C ATOM 938 C LEU A 81 0.267 -10.224 0.729 1.00 0.00 C ATOM 939 O LEU A 81 -0.329 -11.303 0.680 1.00 0.00 O ATOM 940 CB LEU A 81 -0.788 -7.986 0.979 1.00 0.00 C ATOM 941 CG LEU A 81 -1.252 -6.799 1.824 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.888 -5.755 0.934 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.227 -7.241 2.913 1.00 0.00 C ATOM 0 H LEU A 81 1.223 -7.736 2.406 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.887 -9.570 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.071 -7.619 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.647 -8.363 0.425 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.381 -6.367 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.217 -4.911 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.160 -5.411 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.746 -6.189 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.538 -6.374 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.101 -7.702 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.738 -7.963 3.568 1.00 0.00 H new ATOM 955 N GLU A 82 1.331 -9.937 -0.011 1.00 0.00 N ATOM 956 CA GLU A 82 1.871 -10.842 -0.992 1.00 0.00 C ATOM 957 C GLU A 82 2.274 -12.164 -0.360 1.00 0.00 C ATOM 958 O GLU A 82 2.001 -13.194 -0.915 1.00 0.00 O ATOM 959 CB GLU A 82 3.070 -10.199 -1.698 1.00 0.00 C ATOM 960 CG GLU A 82 3.828 -11.089 -2.631 1.00 0.00 C ATOM 961 CD GLU A 82 5.141 -10.487 -3.072 1.00 0.00 C ATOM 962 OE1 GLU A 82 5.152 -9.527 -3.862 1.00 0.00 O ATOM 963 OE2 GLU A 82 6.200 -10.953 -2.595 1.00 0.00 O ATOM 0 H GLU A 82 1.842 -9.057 0.062 1.00 0.00 H new ATOM 0 HA GLU A 82 1.094 -11.048 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.717 -9.333 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.759 -9.828 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.017 -12.045 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.215 -11.296 -3.508 1.00 0.00 H new ATOM 970 N MET A 83 2.842 -12.124 0.840 1.00 0.00 N ATOM 971 CA MET A 83 3.372 -13.323 1.493 1.00 0.00 C ATOM 972 C MET A 83 2.244 -14.275 1.779 1.00 0.00 C ATOM 973 O MET A 83 2.344 -15.468 1.535 1.00 0.00 O ATOM 974 CB MET A 83 4.076 -12.963 2.807 1.00 0.00 C ATOM 975 CG MET A 83 4.941 -14.081 3.369 1.00 0.00 C ATOM 976 SD MET A 83 6.366 -14.438 2.314 1.00 0.00 S ATOM 977 CE MET A 83 7.308 -12.924 2.523 1.00 0.00 C ATOM 0 H MET A 83 2.949 -11.269 1.386 1.00 0.00 H new ATOM 0 HA MET A 83 4.097 -13.789 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.698 -12.082 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.324 -12.691 3.548 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.288 -13.804 4.364 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.339 -14.983 3.481 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.248 -13.002 1.977 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.733 -12.082 2.137 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.515 -12.767 3.582 1.00 0.00 H new ATOM 987 N THR A 84 1.168 -13.709 2.233 1.00 0.00 N ATOM 988 CA THR A 84 -0.033 -14.418 2.572 1.00 0.00 C ATOM 989 C THR A 84 -0.639 -15.058 1.303 1.00 0.00 C ATOM 990 O THR A 84 -1.074 -16.212 1.320 1.00 0.00 O ATOM 991 CB THR A 84 -1.001 -13.409 3.208 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.255 -12.661 4.177 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.147 -14.090 3.935 1.00 0.00 C ATOM 0 H THR A 84 1.097 -12.703 2.384 1.00 0.00 H new ATOM 0 HA THR A 84 0.170 -15.224 3.277 1.00 0.00 H new ATOM 0 HB THR A 84 -1.423 -12.787 2.419 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.067 -11.829 3.771 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.804 -13.335 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.712 -14.702 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.750 -14.723 4.729 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.609 -14.316 0.202 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.090 -14.817 -1.078 1.00 0.00 C ATOM 1003 C VAL A 85 -0.196 -15.966 -1.558 1.00 0.00 C ATOM 1004 O VAL A 85 -0.673 -17.063 -1.804 1.00 0.00 O ATOM 1005 CB VAL A 85 -1.117 -13.706 -2.156 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.619 -14.228 -3.498 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.955 -12.544 -1.705 1.00 0.00 C ATOM 0 H VAL A 85 -0.254 -13.360 0.172 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.110 -15.172 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.090 -13.368 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.622 -13.417 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.963 -15.026 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.631 -14.615 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.959 -11.776 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.976 -12.881 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.540 -12.131 -0.786 1.00 0.00 H new ATOM 1017 N LYS A 86 1.109 -15.708 -1.635 1.00 0.00 N ATOM 1018 CA LYS A 86 2.097 -16.691 -2.098 1.00 0.00 C ATOM 1019 C LYS A 86 2.028 -17.967 -1.268 1.00 0.00 C ATOM 1020 O LYS A 86 2.093 -19.077 -1.787 1.00 0.00 O ATOM 1021 CB LYS A 86 3.507 -16.111 -2.009 1.00 0.00 C ATOM 1022 CG LYS A 86 3.668 -14.781 -2.722 1.00 0.00 C ATOM 1023 CD LYS A 86 5.099 -14.328 -2.771 1.00 0.00 C ATOM 1024 CE LYS A 86 5.620 -13.949 -1.397 1.00 0.00 C ATOM 1025 NZ LYS A 86 6.905 -13.242 -1.481 1.00 0.00 N ATOM 0 H LYS A 86 1.516 -14.809 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 86 1.865 -16.930 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.772 -15.984 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.212 -16.827 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.282 -14.867 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.067 -14.025 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.717 -15.123 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.186 -13.473 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.889 -13.318 -0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.738 -14.848 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.239 -13.014 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.604 -13.848 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.783 -12.363 -2.024 1.00 0.00 H new ATOM 1039 N HIS A 87 1.854 -17.803 0.015 1.00 0.00 N ATOM 1040 CA HIS A 87 1.774 -18.917 0.918 1.00 0.00 C ATOM 1041 C HIS A 87 0.472 -19.670 0.870 1.00 0.00 C ATOM 1042 O HIS A 87 0.443 -20.866 1.175 1.00 0.00 O ATOM 1043 CB HIS A 87 2.232 -18.586 2.323 1.00 0.00 C ATOM 1044 CG HIS A 87 3.723 -18.636 2.438 1.00 0.00 C ATOM 1045 ND1 HIS A 87 4.429 -19.767 2.823 1.00 0.00 N ATOM 1046 CD2 HIS A 87 4.652 -17.693 2.173 1.00 0.00 C ATOM 1047 CE1 HIS A 87 5.726 -19.475 2.775 1.00 0.00 C ATOM 1048 NE2 HIS A 87 5.919 -18.227 2.387 1.00 0.00 N ATOM 0 H HIS A 87 1.764 -16.892 0.464 1.00 0.00 H new ATOM 0 HA HIS A 87 2.505 -19.628 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.878 -17.593 2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.788 -19.289 3.027 1.00 0.00 H new ATOM 0 HD1 HIS A 87 4.025 -20.663 3.095 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.445 -16.685 1.847 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.517 -20.167 3.021 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.614 -19.011 0.474 1.00 0.00 N ATOM 1057 CA LEU A 88 -1.863 -19.725 0.360 1.00 0.00 C ATOM 1058 C LEU A 88 -1.771 -20.624 -0.852 1.00 0.00 C ATOM 1059 O LEU A 88 -2.363 -21.686 -0.879 1.00 0.00 O ATOM 1060 CB LEU A 88 -3.115 -18.781 0.319 1.00 0.00 C ATOM 1061 CG LEU A 88 -3.394 -17.958 -0.962 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -4.112 -18.784 -2.039 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.188 -16.714 -0.629 1.00 0.00 C ATOM 0 H LEU A 88 -0.648 -18.020 0.236 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.016 -20.326 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.995 -19.393 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.025 -18.079 1.148 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.428 -17.664 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.286 -18.163 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.494 -19.638 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.067 -19.137 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.375 -16.147 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.138 -16.999 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.623 -16.099 0.071 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.956 -20.196 -1.844 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.738 -20.991 -3.054 1.00 0.00 C ATOM 1077 C ARG A 89 -0.009 -22.246 -2.629 1.00 0.00 C ATOM 1078 O ARG A 89 -0.357 -23.355 -3.027 1.00 0.00 O ATOM 1079 CB ARG A 89 0.151 -20.274 -4.097 1.00 0.00 C ATOM 1080 CG ARG A 89 -0.061 -18.776 -4.273 1.00 0.00 C ATOM 1081 CD ARG A 89 -1.487 -18.384 -4.594 1.00 0.00 C ATOM 1082 NE ARG A 89 -1.972 -18.939 -5.860 1.00 0.00 N ATOM 1083 CZ ARG A 89 -2.120 -18.237 -6.993 1.00 0.00 C ATOM 1084 NH1 ARG A 89 -1.571 -17.027 -7.114 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -2.763 -18.768 -8.025 1.00 0.00 N ATOM 0 H ARG A 89 -0.447 -19.312 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.707 -21.180 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.193 -20.439 -3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.006 -20.754 -5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.247 -18.267 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.590 -18.420 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.138 -18.718 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.557 -17.297 -4.632 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.214 -19.930 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.035 -16.631 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.687 -16.498 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.145 -19.711 -7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.875 -18.233 -8.886 1.00 0.00 H new ATOM 1099 N ASN A 90 1.000 -22.041 -1.775 1.00 0.00 N ATOM 1100 CA ASN A 90 1.803 -23.120 -1.221 1.00 0.00 C ATOM 1101 C ASN A 90 0.924 -24.122 -0.527 1.00 0.00 C ATOM 1102 O ASN A 90 0.940 -25.287 -0.863 1.00 0.00 O ATOM 1103 CB ASN A 90 2.840 -22.611 -0.209 1.00 0.00 C ATOM 1104 CG ASN A 90 3.904 -21.688 -0.775 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.244 -21.744 -1.947 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.476 -20.880 0.072 1.00 0.00 N ATOM 0 H ASN A 90 1.278 -21.115 -1.451 1.00 0.00 H new ATOM 0 HA ASN A 90 2.326 -23.580 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.316 -22.087 0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.333 -23.471 0.244 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.232 -20.269 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.168 -20.858 1.044 1.00 0.00 H new ATOM 1113 N LEU A 91 0.126 -23.647 0.422 1.00 0.00 N ATOM 1114 CA LEU A 91 -0.779 -24.505 1.188 1.00 0.00 C ATOM 1115 C LEU A 91 -1.837 -25.164 0.305 1.00 0.00 C ATOM 1116 O LEU A 91 -2.283 -26.268 0.592 1.00 0.00 O ATOM 1117 CB LEU A 91 -1.437 -23.729 2.316 1.00 0.00 C ATOM 1118 CG LEU A 91 -0.538 -23.293 3.472 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -1.287 -22.327 4.375 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.095 -24.510 4.277 1.00 0.00 C ATOM 0 H LEU A 91 0.086 -22.662 0.684 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.172 -25.302 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.898 -22.838 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.242 -24.341 2.724 1.00 0.00 H new ATOM 0 HG LEU A 91 0.342 -22.795 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.640 -22.021 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.585 -21.449 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.174 -22.817 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.545 -24.189 5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.971 -25.020 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.458 -25.192 3.631 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.217 -24.494 -0.769 1.00 0.00 N ATOM 1133 CA GLN A 92 -3.166 -25.031 -1.731 1.00 0.00 C ATOM 1134 C GLN A 92 -2.621 -26.280 -2.404 1.00 0.00 C ATOM 1135 O GLN A 92 -3.338 -27.268 -2.584 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.540 -23.969 -2.779 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.752 -23.136 -2.440 1.00 0.00 C ATOM 1138 CD GLN A 92 -6.015 -23.920 -2.660 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.061 -24.814 -3.517 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -7.035 -23.613 -1.937 1.00 0.00 N ATOM 0 H GLN A 92 -1.876 -23.561 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.069 -25.311 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.688 -23.303 -2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.716 -24.467 -3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.697 -22.811 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.765 -22.237 -3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.962 -22.871 -1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.916 -24.111 -2.061 1.00 0.00 H new ATOM 1149 N ARG A 93 -1.354 -26.267 -2.714 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.737 -27.389 -3.411 1.00 0.00 C ATOM 1151 C ARG A 93 0.275 -28.140 -2.565 1.00 0.00 C ATOM 1152 O ARG A 93 1.072 -28.891 -3.081 1.00 0.00 O ATOM 1153 CB ARG A 93 -0.166 -26.964 -4.781 1.00 0.00 C ATOM 1154 CG ARG A 93 0.721 -25.714 -4.793 1.00 0.00 C ATOM 1155 CD ARG A 93 2.058 -25.881 -4.067 1.00 0.00 C ATOM 1156 NE ARG A 93 2.866 -26.987 -4.609 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.170 -26.919 -4.919 1.00 0.00 C ATOM 1158 NH1 ARG A 93 4.833 -25.767 -4.840 1.00 0.00 N ATOM 1159 NH2 ARG A 93 4.796 -28.006 -5.325 1.00 0.00 N ATOM 0 H ARG A 93 -0.719 -25.498 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.536 -28.105 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.412 -27.796 -5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.001 -26.797 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.916 -25.432 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.173 -24.890 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.625 -24.953 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.872 -26.058 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 93 2.395 -27.879 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.350 -24.920 -4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.824 -25.731 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.289 -28.888 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.787 -27.965 -5.563 1.00 0.00 H new ATOM 1173 N ALA A 94 0.182 -27.998 -1.269 1.00 0.00 N ATOM 1174 CA ALA A 94 1.088 -28.680 -0.324 1.00 0.00 C ATOM 1175 C ALA A 94 0.618 -30.114 -0.086 1.00 0.00 C ATOM 1176 O ALA A 94 0.873 -30.708 0.968 1.00 0.00 O ATOM 1177 CB ALA A 94 1.087 -27.922 0.990 1.00 0.00 C ATOM 0 H ALA A 94 -0.518 -27.410 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 94 2.095 -28.705 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.753 -28.417 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.431 -26.901 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.076 -27.902 1.398 1.00 0.00 H new ATOM 1485 N GLU B 43 8.324 3.877 -2.565 1.00 0.00 N ATOM 1486 CA GLU B 43 7.118 3.754 -1.780 1.00 0.00 C ATOM 1487 C GLU B 43 5.873 3.873 -2.652 1.00 0.00 C ATOM 1488 O GLU B 43 4.798 3.425 -2.269 1.00 0.00 O ATOM 1489 CB GLU B 43 7.078 4.731 -0.619 1.00 0.00 C ATOM 1490 CG GLU B 43 7.089 6.181 -1.018 1.00 0.00 C ATOM 1491 CD GLU B 43 7.035 7.069 0.171 1.00 0.00 C ATOM 1492 OE1 GLU B 43 8.075 7.268 0.830 1.00 0.00 O ATOM 1493 OE2 GLU B 43 5.942 7.564 0.497 1.00 0.00 O ATOM 0 HA GLU B 43 7.128 2.754 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU B 43 6.182 4.537 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU B 43 7.934 4.540 0.029 1.00 0.00 H new ATOM 0 HG2 GLU B 43 7.990 6.395 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU B 43 6.239 6.388 -1.668 1.00 0.00 H new ATOM 1500 N LYS B 44 6.019 4.459 -3.832 1.00 0.00 N ATOM 1501 CA LYS B 44 4.909 4.551 -4.759 1.00 0.00 C ATOM 1502 C LYS B 44 4.697 3.150 -5.308 1.00 0.00 C ATOM 1503 O LYS B 44 3.575 2.654 -5.380 1.00 0.00 O ATOM 1504 CB LYS B 44 5.220 5.582 -5.881 1.00 0.00 C ATOM 1505 CG LYS B 44 4.011 6.068 -6.720 1.00 0.00 C ATOM 1506 CD LYS B 44 3.438 5.008 -7.665 1.00 0.00 C ATOM 1507 CE LYS B 44 4.407 4.659 -8.790 1.00 0.00 C ATOM 1508 NZ LYS B 44 4.687 5.823 -9.654 1.00 0.00 N ATOM 0 H LYS B 44 6.889 4.874 -4.165 1.00 0.00 H new ATOM 0 HA LYS B 44 4.001 4.905 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS B 44 5.692 6.452 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS B 44 5.951 5.141 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS B 44 3.223 6.400 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS B 44 4.315 6.936 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS B 44 3.201 4.107 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS B 44 2.503 5.371 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS B 44 5.340 4.290 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS B 44 3.990 3.852 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 5.118 5.499 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.799 6.323 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 5.342 6.468 -9.167 1.00 0.00 H new ATOM 1522 N ARG B 45 5.808 2.504 -5.637 1.00 0.00 N ATOM 1523 CA ARG B 45 5.811 1.115 -6.087 1.00 0.00 C ATOM 1524 C ARG B 45 5.306 0.211 -4.971 1.00 0.00 C ATOM 1525 O ARG B 45 4.627 -0.786 -5.219 1.00 0.00 O ATOM 1526 CB ARG B 45 7.213 0.684 -6.451 1.00 0.00 C ATOM 1527 CG ARG B 45 7.831 1.405 -7.623 1.00 0.00 C ATOM 1528 CD ARG B 45 9.281 1.010 -7.746 1.00 0.00 C ATOM 1529 NE ARG B 45 9.431 -0.446 -7.948 1.00 0.00 N ATOM 1530 CZ ARG B 45 10.195 -1.270 -7.203 1.00 0.00 C ATOM 1531 NH1 ARG B 45 10.962 -0.792 -6.236 1.00 0.00 N ATOM 1532 NH2 ARG B 45 10.200 -2.575 -7.450 1.00 0.00 N ATOM 0 H ARG B 45 6.735 2.928 -5.600 1.00 0.00 H new ATOM 0 HA ARG B 45 5.163 1.036 -6.960 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.855 0.824 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG B 45 7.201 -0.384 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG B 45 7.296 1.157 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG B 45 7.747 2.483 -7.486 1.00 0.00 H new ATOM 0 HD2 ARG B 45 9.735 1.543 -8.582 1.00 0.00 H new ATOM 0 HD3 ARG B 45 9.819 1.311 -6.847 1.00 0.00 H new ATOM 0 HE ARG B 45 8.911 -0.865 -8.719 1.00 0.00 H new ATOM 0 HH11 ARG B 45 10.980 0.210 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG B 45 11.535 -1.426 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG B 45 9.626 -2.954 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG B 45 10.778 -3.198 -6.886 1.00 0.00 H new ATOM 1546 N ARG B 46 5.680 0.550 -3.748 1.00 0.00 N ATOM 1547 CA ARG B 46 5.234 -0.154 -2.561 1.00 0.00 C ATOM 1548 C ARG B 46 3.741 -0.085 -2.472 1.00 0.00 C ATOM 1549 O ARG B 46 3.106 -1.101 -2.375 1.00 0.00 O ATOM 1550 CB ARG B 46 5.854 0.457 -1.316 1.00 0.00 C ATOM 1551 CG ARG B 46 5.477 -0.186 0.019 1.00 0.00 C ATOM 1552 CD ARG B 46 6.131 0.629 1.129 1.00 0.00 C ATOM 1553 NE ARG B 46 5.758 0.239 2.503 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.591 0.323 3.573 1.00 0.00 C ATOM 1555 NH1 ARG B 46 7.902 0.388 3.399 1.00 0.00 N ATOM 1556 NH2 ARG B 46 6.108 0.239 4.808 1.00 0.00 N ATOM 0 H ARG B 46 6.308 1.329 -3.552 1.00 0.00 H new ATOM 0 HA ARG B 46 5.548 -1.196 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.938 0.417 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG B 46 5.576 1.510 -1.278 1.00 0.00 H new ATOM 0 HG2 ARG B 46 4.394 -0.201 0.143 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.817 -1.221 0.054 1.00 0.00 H new ATOM 0 HD2 ARG B 46 7.213 0.548 1.027 1.00 0.00 H new ATOM 0 HD3 ARG B 46 5.875 1.679 0.985 1.00 0.00 H new ATOM 0 HE ARG B 46 4.815 -0.116 2.659 1.00 0.00 H new ATOM 0 HH11 ARG B 46 8.293 0.375 2.457 1.00 0.00 H new ATOM 0 HH12 ARG B 46 8.521 0.451 4.207 1.00 0.00 H new ATOM 0 HH21 ARG B 46 5.107 0.111 4.957 1.00 0.00 H new ATOM 0 HH22 ARG B 46 6.738 0.303 5.608 1.00 0.00 H new ATOM 1570 N ARG B 47 3.182 1.129 -2.537 1.00 0.00 N ATOM 1571 CA ARG B 47 1.736 1.304 -2.503 1.00 0.00 C ATOM 1572 C ARG B 47 1.068 0.569 -3.621 1.00 0.00 C ATOM 1573 O ARG B 47 0.048 -0.083 -3.406 1.00 0.00 O ATOM 1574 CB ARG B 47 1.298 2.758 -2.501 1.00 0.00 C ATOM 1575 CG ARG B 47 1.704 3.527 -1.273 1.00 0.00 C ATOM 1576 CD ARG B 47 1.042 4.883 -1.257 1.00 0.00 C ATOM 1577 NE ARG B 47 1.510 5.702 -0.134 1.00 0.00 N ATOM 1578 CZ ARG B 47 0.954 6.841 0.299 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -0.283 7.182 -0.073 1.00 0.00 N ATOM 1580 NH2 ARG B 47 1.617 7.588 1.179 1.00 0.00 N ATOM 0 H ARG B 47 3.711 1.998 -2.613 1.00 0.00 H new ATOM 0 HA ARG B 47 1.418 0.877 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG B 47 1.715 3.252 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG B 47 0.213 2.798 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG B 47 1.426 2.969 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG B 47 2.787 3.644 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG B 47 1.248 5.399 -2.195 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -0.039 4.759 -1.192 1.00 0.00 H new ATOM 0 HE ARG B 47 2.337 5.373 0.364 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -0.815 6.572 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -0.695 8.052 0.264 1.00 0.00 H new ATOM 0 HH21 ARG B 47 2.534 7.290 1.513 1.00 0.00 H new ATOM 0 HH22 ARG B 47 1.208 8.458 1.519 1.00 0.00 H new ATOM 1594 N ALA B 48 1.648 0.648 -4.801 1.00 0.00 N ATOM 1595 CA ALA B 48 1.138 -0.065 -5.942 1.00 0.00 C ATOM 1596 C ALA B 48 1.068 -1.546 -5.625 1.00 0.00 C ATOM 1597 O ALA B 48 0.019 -2.149 -5.756 1.00 0.00 O ATOM 1598 CB ALA B 48 2.000 0.187 -7.166 1.00 0.00 C ATOM 0 H ALA B 48 2.481 1.206 -4.990 1.00 0.00 H new ATOM 0 HA ALA B 48 0.134 0.296 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.595 -0.362 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.007 1.253 -7.393 1.00 0.00 H new ATOM 0 HB3 ALA B 48 3.018 -0.149 -6.969 1.00 0.00 H new ATOM 1604 N ARG B 49 2.154 -2.106 -5.096 1.00 0.00 N ATOM 1605 CA ARG B 49 2.181 -3.519 -4.785 1.00 0.00 C ATOM 1606 C ARG B 49 1.272 -3.848 -3.592 1.00 0.00 C ATOM 1607 O ARG B 49 0.779 -4.953 -3.498 1.00 0.00 O ATOM 1608 CB ARG B 49 3.618 -4.070 -4.601 1.00 0.00 C ATOM 1609 CG ARG B 49 3.665 -5.595 -4.411 1.00 0.00 C ATOM 1610 CD ARG B 49 5.084 -6.158 -4.378 1.00 0.00 C ATOM 1611 NE ARG B 49 5.899 -5.618 -3.279 1.00 0.00 N ATOM 1612 CZ ARG B 49 6.524 -6.370 -2.344 1.00 0.00 C ATOM 1613 NH1 ARG B 49 6.357 -7.685 -2.295 1.00 0.00 N ATOM 1614 NH2 ARG B 49 7.310 -5.794 -1.458 1.00 0.00 N ATOM 0 H ARG B 49 3.014 -1.603 -4.879 1.00 0.00 H new ATOM 0 HA ARG B 49 1.777 -4.038 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.217 -3.801 -5.471 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.076 -3.589 -3.737 1.00 0.00 H new ATOM 0 HG2 ARG B 49 3.158 -5.854 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.111 -6.072 -5.220 1.00 0.00 H new ATOM 0 HD2 ARG B 49 5.035 -7.243 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.576 -5.941 -5.326 1.00 0.00 H new ATOM 0 HE ARG B 49 6.000 -4.605 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.748 -8.147 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG B 49 6.837 -8.234 -1.582 1.00 0.00 H new ATOM 0 HH21 ARG B 49 7.446 -4.783 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.782 -6.359 -0.752 1.00 0.00 H new ATOM 1628 N ILE B 50 1.052 -2.887 -2.681 1.00 0.00 N ATOM 1629 CA ILE B 50 0.106 -3.084 -1.594 1.00 0.00 C ATOM 1630 C ILE B 50 -1.274 -3.355 -2.183 1.00 0.00 C ATOM 1631 O ILE B 50 -1.902 -4.382 -1.906 1.00 0.00 O ATOM 1632 CB ILE B 50 0.019 -1.847 -0.652 1.00 0.00 C ATOM 1633 CG1 ILE B 50 1.365 -1.626 0.035 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.087 -2.052 0.389 1.00 0.00 C ATOM 1635 CD1 ILE B 50 1.471 -0.361 0.837 1.00 0.00 C ATOM 0 H ILE B 50 1.515 -1.978 -2.682 1.00 0.00 H new ATOM 0 HA ILE B 50 0.455 -3.929 -1.000 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.224 -0.964 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.563 -2.472 0.693 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.147 -1.623 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.138 -1.181 1.042 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.043 -2.183 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.867 -2.939 0.984 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.463 -0.296 1.285 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.310 0.498 0.185 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.717 -0.365 1.624 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.699 -2.462 -3.059 1.00 0.00 N ATOM 1648 CA ASN B 51 -3.003 -2.573 -3.695 1.00 0.00 C ATOM 1649 C ASN B 51 -3.061 -3.794 -4.579 1.00 0.00 C ATOM 1650 O ASN B 51 -4.033 -4.538 -4.548 1.00 0.00 O ATOM 1651 CB ASN B 51 -3.367 -1.318 -4.512 1.00 0.00 C ATOM 1652 CG ASN B 51 -3.543 -0.067 -3.667 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -4.636 0.199 -3.143 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -2.498 0.713 -3.537 1.00 0.00 N ATOM 0 H ASN B 51 -1.158 -1.647 -3.348 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.736 -2.669 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -2.587 -1.139 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.290 -1.508 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -2.567 1.571 -2.990 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -1.615 0.462 -3.982 1.00 0.00 H new ATOM 1661 N GLU B 52 -2.002 -4.020 -5.330 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.929 -5.164 -6.236 1.00 0.00 C ATOM 1663 C GLU B 52 -1.924 -6.498 -5.503 1.00 0.00 C ATOM 1664 O GLU B 52 -2.463 -7.488 -6.016 1.00 0.00 O ATOM 1665 CB GLU B 52 -0.731 -5.080 -7.182 1.00 0.00 C ATOM 1666 CG GLU B 52 -0.762 -3.875 -8.099 1.00 0.00 C ATOM 1667 CD GLU B 52 -2.055 -3.773 -8.854 1.00 0.00 C ATOM 1668 OE1 GLU B 52 -2.314 -4.625 -9.729 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -2.856 -2.848 -8.573 1.00 0.00 O ATOM 0 H GLU B 52 -1.172 -3.427 -5.335 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.840 -5.116 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.185 -5.053 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.694 -5.985 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.613 -2.969 -7.511 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.066 -3.936 -8.805 1.00 0.00 H new ATOM 1676 N SER B 53 -1.348 -6.547 -4.320 1.00 0.00 N ATOM 1677 CA SER B 53 -1.323 -7.776 -3.583 1.00 0.00 C ATOM 1678 C SER B 53 -2.683 -8.041 -3.002 1.00 0.00 C ATOM 1679 O SER B 53 -3.168 -9.143 -3.075 1.00 0.00 O ATOM 1680 CB SER B 53 -0.243 -7.767 -2.516 1.00 0.00 C ATOM 1681 OG SER B 53 1.022 -7.581 -3.114 1.00 0.00 O ATOM 0 H SER B 53 -0.898 -5.756 -3.859 1.00 0.00 H new ATOM 0 HA SER B 53 -1.073 -8.589 -4.264 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.436 -6.970 -1.798 1.00 0.00 H new ATOM 0 HB3 SER B 53 -0.259 -8.706 -1.962 1.00 0.00 H new ATOM 0 HG SER B 53 1.083 -6.672 -3.474 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.320 -6.992 -2.486 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.661 -7.089 -1.932 1.00 0.00 C ATOM 1689 C LEU B 54 -5.638 -7.498 -3.065 1.00 0.00 C ATOM 1690 O LEU B 54 -6.572 -8.285 -2.861 1.00 0.00 O ATOM 1691 CB LEU B 54 -5.035 -5.714 -1.347 1.00 0.00 C ATOM 1692 CG LEU B 54 -6.013 -5.678 -0.164 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -6.091 -4.272 0.386 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -7.406 -6.157 -0.548 1.00 0.00 C ATOM 0 H LEU B 54 -2.919 -6.055 -2.442 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.714 -7.839 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -4.114 -5.222 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.460 -5.113 -2.151 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.633 -6.361 0.596 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.786 -4.248 1.226 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -5.103 -3.958 0.723 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.441 -3.595 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -8.059 -6.112 0.323 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.806 -5.518 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -7.351 -7.184 -0.908 1.00 0.00 H new ATOM 1706 N SER B 55 -5.371 -6.974 -4.255 1.00 0.00 N ATOM 1707 CA SER B 55 -6.136 -7.264 -5.448 1.00 0.00 C ATOM 1708 C SER B 55 -6.102 -8.764 -5.764 1.00 0.00 C ATOM 1709 O SER B 55 -7.143 -9.423 -5.794 1.00 0.00 O ATOM 1710 CB SER B 55 -5.564 -6.451 -6.625 1.00 0.00 C ATOM 1711 OG SER B 55 -6.270 -6.673 -7.837 1.00 0.00 O ATOM 0 H SER B 55 -4.601 -6.324 -4.414 1.00 0.00 H new ATOM 0 HA SER B 55 -7.176 -6.982 -5.284 1.00 0.00 H new ATOM 0 HB2 SER B 55 -5.597 -5.390 -6.379 1.00 0.00 H new ATOM 0 HB3 SER B 55 -4.515 -6.713 -6.767 1.00 0.00 H new ATOM 0 HG SER B 55 -5.871 -6.134 -8.552 1.00 0.00 H new ATOM 1717 N GLN B 56 -4.911 -9.311 -5.942 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.759 -10.723 -6.299 1.00 0.00 C ATOM 1719 C GLN B 56 -5.192 -11.626 -5.143 1.00 0.00 C ATOM 1720 O GLN B 56 -5.714 -12.717 -5.356 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.317 -11.011 -6.739 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.283 -10.775 -5.662 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.877 -10.775 -6.193 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.218 -11.802 -6.258 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.405 -9.614 -6.568 1.00 0.00 N ATOM 0 H GLN B 56 -4.031 -8.804 -5.846 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.413 -10.943 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.250 -12.047 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -3.079 -10.385 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.483 -9.820 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.378 -11.547 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.988 -8.780 -6.498 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.546 -9.543 -6.931 1.00 0.00 H new ATOM 1734 N LEU B 57 -5.023 -11.118 -3.937 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.394 -11.796 -2.714 1.00 0.00 C ATOM 1736 C LEU B 57 -6.884 -12.137 -2.726 1.00 0.00 C ATOM 1737 O LEU B 57 -7.245 -13.311 -2.716 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.964 -10.891 -1.525 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.298 -11.292 -0.100 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.210 -10.776 0.836 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.595 -10.650 0.299 1.00 0.00 C ATOM 0 H LEU B 57 -4.613 -10.198 -3.779 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.883 -12.753 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.882 -10.775 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.400 -9.906 -1.694 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.371 -12.378 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.446 -11.062 1.861 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.250 -11.207 0.551 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.155 -9.690 0.766 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.842 -10.934 1.322 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.499 -9.566 0.236 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.387 -10.984 -0.371 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.734 -11.122 -2.852 1.00 0.00 N ATOM 1754 CA LYS B 58 -9.191 -11.337 -2.900 1.00 0.00 C ATOM 1755 C LYS B 58 -9.582 -12.183 -4.123 1.00 0.00 C ATOM 1756 O LYS B 58 -10.519 -12.995 -4.063 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.972 -9.997 -2.922 1.00 0.00 C ATOM 1758 CG LYS B 58 -9.758 -9.155 -4.171 1.00 0.00 C ATOM 1759 CD LYS B 58 -10.604 -7.897 -4.173 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.414 -7.125 -5.471 1.00 0.00 C ATOM 1761 NZ LYS B 58 -11.232 -5.902 -5.514 1.00 0.00 N ATOM 0 H LYS B 58 -7.449 -10.145 -2.923 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.461 -11.875 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -11.036 -10.211 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.683 -9.410 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -8.705 -8.882 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -9.996 -9.751 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -11.655 -8.159 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -10.331 -7.268 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -9.363 -6.861 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -10.675 -7.765 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -11.071 -5.408 -6.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.238 -6.154 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -10.966 -5.278 -4.725 1.00 0.00 H new ATOM 1775 N THR B 59 -8.831 -12.009 -5.206 1.00 0.00 N ATOM 1776 CA THR B 59 -9.090 -12.687 -6.450 1.00 0.00 C ATOM 1777 C THR B 59 -8.930 -14.206 -6.292 1.00 0.00 C ATOM 1778 O THR B 59 -9.884 -14.960 -6.520 1.00 0.00 O ATOM 1779 CB THR B 59 -8.163 -12.154 -7.579 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.346 -10.727 -7.715 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.485 -12.816 -8.913 1.00 0.00 C ATOM 0 H THR B 59 -8.023 -11.387 -5.235 1.00 0.00 H new ATOM 0 HA THR B 59 -10.122 -12.481 -6.732 1.00 0.00 H new ATOM 0 HB THR B 59 -7.132 -12.386 -7.310 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.674 -10.258 -7.177 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.821 -12.424 -9.683 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.345 -13.894 -8.828 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.520 -12.605 -9.184 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.761 -14.642 -5.836 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.484 -16.061 -5.710 1.00 0.00 C ATOM 1791 C LEU B 60 -8.204 -16.691 -4.532 1.00 0.00 C ATOM 1792 O LEU B 60 -8.509 -17.885 -4.566 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.973 -16.387 -5.697 1.00 0.00 C ATOM 1794 CG LEU B 60 -5.216 -16.312 -7.053 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.856 -17.221 -8.096 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -5.099 -14.887 -7.578 1.00 0.00 C ATOM 0 H LEU B 60 -6.995 -14.033 -5.549 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.888 -16.517 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.486 -15.704 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.848 -17.393 -5.296 1.00 0.00 H new ATOM 0 HG LEU B 60 -4.203 -16.667 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -5.303 -17.146 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.833 -18.252 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.890 -16.916 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.562 -14.892 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -6.095 -14.471 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -4.555 -14.277 -6.857 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.486 -15.896 -3.503 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.248 -16.373 -2.353 1.00 0.00 C ATOM 1810 C ILE B 61 -10.628 -16.831 -2.763 1.00 0.00 C ATOM 1811 O ILE B 61 -10.997 -17.993 -2.555 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.355 -15.291 -1.226 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -8.047 -15.205 -0.446 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.555 -15.517 -0.284 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.649 -16.503 0.222 1.00 0.00 C ATOM 0 H ILE B 61 -8.198 -14.919 -3.442 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.700 -17.224 -1.949 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.536 -14.335 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.250 -14.896 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.138 -14.429 0.314 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.574 -14.735 0.475 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.480 -15.487 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.460 -16.489 0.200 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.710 -16.364 0.757 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.426 -16.804 0.925 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.524 -17.278 -0.534 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.366 -15.963 -3.407 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.721 -16.278 -3.727 1.00 0.00 C ATOM 1829 C LEU B 62 -12.776 -17.255 -4.878 1.00 0.00 C ATOM 1830 O LEU B 62 -13.720 -17.963 -5.041 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.495 -15.018 -3.998 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.983 -15.092 -3.697 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.431 -13.742 -3.291 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.786 -15.567 -4.899 1.00 0.00 C ATOM 0 H LEU B 62 -11.049 -15.043 -3.714 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.193 -16.767 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -13.061 -14.211 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -13.366 -14.751 -5.047 1.00 0.00 H new ATOM 0 HG LEU B 62 -15.149 -15.817 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.498 -13.764 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -14.881 -13.428 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.244 -13.038 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.844 -15.605 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -15.641 -14.876 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -15.449 -16.561 -5.192 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.725 -17.303 -5.619 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.567 -18.261 -6.725 1.00 0.00 C ATOM 1848 C ASP B 63 -11.374 -19.676 -6.186 1.00 0.00 C ATOM 1849 O ASP B 63 -11.734 -20.646 -6.825 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.339 -17.907 -7.491 1.00 0.00 C ATOM 1851 CG ASP B 63 -10.142 -18.693 -8.768 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -10.743 -18.334 -9.812 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -9.355 -19.664 -8.764 1.00 0.00 O ATOM 0 H ASP B 63 -10.925 -16.682 -5.496 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.459 -18.220 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.373 -16.845 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -9.471 -18.059 -6.850 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.768 -19.781 -5.018 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.502 -21.063 -4.417 1.00 0.00 C ATOM 1860 C ALA B 64 -11.719 -21.543 -3.677 1.00 0.00 C ATOM 1861 O ALA B 64 -12.010 -22.735 -3.631 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.313 -20.962 -3.472 1.00 0.00 C ATOM 0 H ALA B 64 -10.451 -18.983 -4.467 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.262 -21.781 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.121 -21.937 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.433 -20.639 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.533 -20.238 -2.687 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.451 -20.606 -3.124 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.580 -20.955 -2.291 1.00 0.00 C ATOM 1870 C LEU B 65 -14.852 -20.992 -3.110 1.00 0.00 C ATOM 1871 O LEU B 65 -15.700 -21.866 -2.915 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.716 -19.956 -1.131 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.419 -19.638 -0.370 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -12.676 -18.802 0.860 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -11.639 -20.891 -0.042 1.00 0.00 C ATOM 0 H LEU B 65 -12.289 -19.605 -3.233 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.410 -21.948 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -14.123 -19.024 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.445 -20.348 -0.422 1.00 0.00 H new ATOM 0 HG LEU B 65 -11.799 -19.039 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -11.732 -18.601 1.367 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -13.139 -17.859 0.569 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -13.342 -19.341 1.534 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -10.729 -20.623 0.496 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -12.248 -21.547 0.580 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -11.376 -21.408 -0.965 1.00 0.00 H new ATOM 1887 N LYS B 66 -14.950 -20.053 -4.042 1.00 0.00 N ATOM 1888 CA LYS B 66 -16.090 -19.889 -4.934 1.00 0.00 C ATOM 1889 C LYS B 66 -17.384 -19.827 -4.166 1.00 0.00 C ATOM 1890 O LYS B 66 -18.208 -20.745 -4.185 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.062 -20.933 -6.038 1.00 0.00 C ATOM 1892 CG LYS B 66 -14.874 -20.745 -6.997 1.00 0.00 C ATOM 1893 CD LYS B 66 -14.479 -22.051 -7.663 1.00 0.00 C ATOM 1894 CE LYS B 66 -13.824 -22.987 -6.654 1.00 0.00 C ATOM 1895 NZ LYS B 66 -13.397 -24.259 -7.262 1.00 0.00 N ATOM 0 H LYS B 66 -14.216 -19.363 -4.203 1.00 0.00 H new ATOM 0 HA LYS B 66 -16.016 -18.925 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -16.012 -21.927 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -16.993 -20.884 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -15.135 -20.011 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -14.022 -20.344 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.360 -22.528 -8.092 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -13.791 -21.854 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -12.960 -22.492 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -14.525 -23.192 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -12.958 -24.861 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -14.223 -24.747 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -12.708 -24.069 -8.017 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.484 -18.768 -3.400 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.637 -18.520 -2.582 1.00 0.00 C ATOM 1911 C LYS B 67 -19.756 -17.947 -3.438 1.00 0.00 C ATOM 1912 O LYS B 67 -20.744 -18.630 -3.726 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.308 -17.551 -1.430 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.253 -18.038 -0.433 1.00 0.00 C ATOM 1915 CD LYS B 67 -17.038 -16.996 0.648 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.038 -17.445 1.706 1.00 0.00 C ATOM 1917 NZ LYS B 67 -16.553 -18.516 2.586 1.00 0.00 N ATOM 0 H LYS B 67 -16.761 -18.052 -3.329 1.00 0.00 H new ATOM 0 HA LYS B 67 -18.956 -19.466 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.968 -16.608 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -19.227 -17.340 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.572 -18.979 0.016 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.315 -18.235 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.686 -16.071 0.191 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -17.992 -16.773 1.127 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.131 -17.795 1.213 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.757 -16.587 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -15.824 -18.774 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -17.402 -18.179 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -16.796 -19.349 2.013 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.581 -16.711 -3.875 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.579 -16.024 -4.648 1.00 0.00 C ATOM 1933 C ASP B 68 -19.936 -14.884 -5.331 1.00 0.00 C ATOM 1934 O ASP B 68 -19.159 -14.141 -4.710 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.657 -15.514 -3.735 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.753 -14.783 -4.411 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -23.628 -15.419 -5.051 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -22.802 -13.577 -4.276 1.00 0.00 O ATOM 0 H ASP B 68 -18.739 -16.163 -3.699 1.00 0.00 H new ATOM 0 HA ASP B 68 -21.020 -16.702 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -22.083 -16.358 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -21.204 -14.856 -2.994 1.00 0.00 H new ATOM 1943 N SER B 69 -20.223 -14.729 -6.575 1.00 0.00 N ATOM 1944 CA SER B 69 -19.614 -13.706 -7.323 1.00 0.00 C ATOM 1945 C SER B 69 -20.375 -12.374 -7.232 1.00 0.00 C ATOM 1946 O SER B 69 -19.839 -11.310 -7.558 1.00 0.00 O ATOM 1947 CB SER B 69 -19.335 -14.168 -8.740 1.00 0.00 C ATOM 1948 OG SER B 69 -20.498 -14.741 -9.317 1.00 0.00 O ATOM 0 H SER B 69 -20.884 -15.308 -7.094 1.00 0.00 H new ATOM 0 HA SER B 69 -18.644 -13.490 -6.876 1.00 0.00 H new ATOM 0 HB2 SER B 69 -19.001 -13.324 -9.344 1.00 0.00 H new ATOM 0 HB3 SER B 69 -18.526 -14.899 -8.737 1.00 0.00 H new ATOM 0 HG SER B 69 -20.300 -15.032 -10.232 1.00 0.00 H new ATOM 1954 N SER B 70 -21.597 -12.437 -6.771 1.00 0.00 N ATOM 1955 CA SER B 70 -22.386 -11.260 -6.546 1.00 0.00 C ATOM 1956 C SER B 70 -21.783 -10.501 -5.359 1.00 0.00 C ATOM 1957 O SER B 70 -21.417 -9.326 -5.470 1.00 0.00 O ATOM 1958 CB SER B 70 -23.845 -11.668 -6.277 1.00 0.00 C ATOM 1959 OG SER B 70 -24.690 -10.550 -6.025 1.00 0.00 O ATOM 0 H SER B 70 -22.072 -13.310 -6.541 1.00 0.00 H new ATOM 0 HA SER B 70 -22.381 -10.609 -7.420 1.00 0.00 H new ATOM 0 HB2 SER B 70 -24.227 -12.221 -7.135 1.00 0.00 H new ATOM 0 HB3 SER B 70 -23.878 -12.343 -5.422 1.00 0.00 H new ATOM 0 HG SER B 70 -25.605 -10.861 -5.862 1.00 0.00 H new ATOM 1965 N ARG B 71 -21.572 -11.214 -4.259 1.00 0.00 N ATOM 1966 CA ARG B 71 -21.017 -10.616 -3.059 1.00 0.00 C ATOM 1967 C ARG B 71 -19.536 -10.328 -3.221 1.00 0.00 C ATOM 1968 O ARG B 71 -18.951 -9.633 -2.416 1.00 0.00 O ATOM 1969 CB ARG B 71 -21.348 -11.446 -1.798 1.00 0.00 C ATOM 1970 CG ARG B 71 -20.681 -12.814 -1.673 1.00 0.00 C ATOM 1971 CD ARG B 71 -19.385 -12.748 -0.878 1.00 0.00 C ATOM 1972 NE ARG B 71 -19.601 -12.080 0.424 1.00 0.00 N ATOM 1973 CZ ARG B 71 -18.654 -11.734 1.319 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -17.395 -12.118 1.174 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -18.986 -11.018 2.376 1.00 0.00 N ATOM 0 H ARG B 71 -21.779 -12.209 -4.177 1.00 0.00 H new ATOM 0 HA ARG B 71 -21.500 -9.650 -2.909 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -21.076 -10.856 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -22.428 -11.591 -1.762 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -21.368 -13.509 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -20.476 -13.209 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -19.001 -13.755 -0.716 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.630 -12.207 -1.449 1.00 0.00 H new ATOM 0 HE ARG B 71 -20.566 -11.858 0.670 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -17.125 -12.688 0.372 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -16.696 -11.844 1.864 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -19.955 -10.729 2.513 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -18.274 -10.753 3.057 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.947 -10.837 -4.311 1.00 0.00 N ATOM 1990 CA HIS B 72 -17.557 -10.537 -4.677 1.00 0.00 C ATOM 1991 C HIS B 72 -17.436 -9.016 -4.963 1.00 0.00 C ATOM 1992 O HIS B 72 -16.354 -8.416 -4.867 1.00 0.00 O ATOM 1993 CB HIS B 72 -17.151 -11.346 -5.939 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.663 -11.371 -6.292 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.798 -10.295 -6.191 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -14.903 -12.402 -6.745 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.582 -10.696 -6.573 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -13.588 -11.972 -6.921 1.00 0.00 N ATOM 0 H HIS B 72 -19.418 -11.466 -4.961 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.893 -10.816 -3.859 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -17.486 -12.375 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.696 -10.941 -6.792 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -15.046 -9.356 -5.878 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -15.262 -13.402 -6.939 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.709 -10.061 -6.595 1.00 0.00 H new ATOM 2006 N SER B 73 -18.563 -8.403 -5.282 1.00 0.00 N ATOM 2007 CA SER B 73 -18.613 -6.995 -5.596 1.00 0.00 C ATOM 2008 C SER B 73 -18.920 -6.156 -4.347 1.00 0.00 C ATOM 2009 O SER B 73 -19.008 -4.937 -4.412 1.00 0.00 O ATOM 2010 CB SER B 73 -19.656 -6.758 -6.683 1.00 0.00 C ATOM 2011 OG SER B 73 -19.416 -7.627 -7.798 1.00 0.00 O ATOM 0 H SER B 73 -19.467 -8.873 -5.329 1.00 0.00 H new ATOM 0 HA SER B 73 -17.636 -6.680 -5.962 1.00 0.00 H new ATOM 0 HB2 SER B 73 -20.655 -6.935 -6.283 1.00 0.00 H new ATOM 0 HB3 SER B 73 -19.622 -5.718 -7.009 1.00 0.00 H new ATOM 0 HG SER B 73 -20.093 -7.467 -8.489 1.00 0.00 H new ATOM 2017 N LYS B 74 -19.019 -6.816 -3.222 1.00 0.00 N ATOM 2018 CA LYS B 74 -19.339 -6.172 -1.956 1.00 0.00 C ATOM 2019 C LYS B 74 -18.380 -6.695 -0.892 1.00 0.00 C ATOM 2020 O LYS B 74 -18.717 -6.880 0.278 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.837 -6.418 -1.600 1.00 0.00 C ATOM 2022 CG LYS B 74 -21.406 -5.799 -0.275 1.00 0.00 C ATOM 2023 CD LYS B 74 -21.194 -4.275 -0.120 1.00 0.00 C ATOM 2024 CE LYS B 74 -19.826 -3.944 0.493 1.00 0.00 C ATOM 2025 NZ LYS B 74 -19.601 -2.499 0.680 1.00 0.00 N ATOM 0 H LYS B 74 -18.880 -7.824 -3.149 1.00 0.00 H new ATOM 0 HA LYS B 74 -19.211 -5.092 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -21.440 -6.042 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.994 -7.496 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -22.474 -6.009 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -20.941 -6.303 0.572 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -21.280 -3.796 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -21.983 -3.861 0.509 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.737 -4.445 1.457 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.042 -4.346 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -18.668 -2.346 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.638 -2.020 -0.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.338 -2.110 1.302 1.00 0.00 H new ATOM 2039 N LEU B 75 -17.170 -6.906 -1.302 1.00 0.00 N ATOM 2040 CA LEU B 75 -16.163 -7.306 -0.382 1.00 0.00 C ATOM 2041 C LEU B 75 -15.592 -6.104 0.320 1.00 0.00 C ATOM 2042 O LEU B 75 -15.129 -5.149 -0.311 1.00 0.00 O ATOM 2043 CB LEU B 75 -15.048 -8.096 -1.036 1.00 0.00 C ATOM 2044 CG LEU B 75 -14.990 -9.598 -0.742 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -14.999 -9.908 0.746 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -16.055 -10.350 -1.475 1.00 0.00 C ATOM 0 H LEU B 75 -16.859 -6.807 -2.268 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.643 -7.966 0.341 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -15.129 -7.966 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -14.098 -7.655 -0.732 1.00 0.00 H new ATOM 0 HG LEU B 75 -14.029 -9.946 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -14.956 -10.987 0.893 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -14.135 -9.443 1.220 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -15.913 -9.517 1.194 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -15.979 -11.411 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -17.035 -9.980 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -15.928 -10.207 -2.548 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.656 -6.154 1.603 1.00 0.00 N ATOM 2059 CA GLU B 76 -15.091 -5.142 2.449 1.00 0.00 C ATOM 2060 C GLU B 76 -13.655 -5.524 2.658 1.00 0.00 C ATOM 2061 O GLU B 76 -13.363 -6.708 2.745 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.815 -5.136 3.795 1.00 0.00 C ATOM 2063 CG GLU B 76 -17.264 -4.689 3.732 1.00 0.00 C ATOM 2064 CD GLU B 76 -17.403 -3.193 3.613 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -17.298 -2.500 4.642 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -17.637 -2.674 2.516 1.00 0.00 O ATOM 0 H GLU B 76 -16.110 -6.912 2.113 1.00 0.00 H new ATOM 0 HA GLU B 76 -15.184 -4.152 2.003 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -15.776 -6.140 4.218 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -15.276 -4.481 4.480 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -17.751 -5.165 2.880 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.785 -5.029 4.627 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.762 -4.561 2.742 1.00 0.00 N ATOM 2074 CA LYS B 77 -11.343 -4.840 2.937 1.00 0.00 C ATOM 2075 C LYS B 77 -11.106 -5.698 4.174 1.00 0.00 C ATOM 2076 O LYS B 77 -10.303 -6.621 4.165 1.00 0.00 O ATOM 2077 CB LYS B 77 -10.554 -3.548 2.980 1.00 0.00 C ATOM 2078 CG LYS B 77 -9.089 -3.729 3.347 1.00 0.00 C ATOM 2079 CD LYS B 77 -8.207 -2.657 2.723 1.00 0.00 C ATOM 2080 CE LYS B 77 -8.694 -1.289 3.068 1.00 0.00 C ATOM 2081 NZ LYS B 77 -7.885 -0.225 2.436 1.00 0.00 N ATOM 0 H LYS B 77 -12.990 -3.569 2.679 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.986 -5.420 2.086 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -10.617 -3.064 2.006 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -11.018 -2.875 3.701 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.981 -3.701 4.431 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.752 -4.712 3.018 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -7.181 -2.779 3.070 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -8.193 -2.779 1.640 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -9.733 -1.186 2.754 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -8.674 -1.162 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -8.263 0.705 2.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -6.898 -0.304 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -7.924 -0.327 1.402 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.868 -5.419 5.194 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.831 -6.166 6.442 1.00 0.00 C ATOM 2097 C ALA B 78 -12.249 -7.622 6.226 1.00 0.00 C ATOM 2098 O ALA B 78 -11.711 -8.537 6.843 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.768 -5.516 7.432 1.00 0.00 C ATOM 0 H ALA B 78 -12.546 -4.657 5.192 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.810 -6.157 6.823 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.747 -6.070 8.371 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -12.453 -4.488 7.610 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.782 -5.521 7.031 1.00 0.00 H new ATOM 2105 N ASP B 79 -13.165 -7.809 5.298 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.751 -9.125 5.016 1.00 0.00 C ATOM 2107 C ASP B 79 -12.785 -9.912 4.178 1.00 0.00 C ATOM 2108 O ASP B 79 -12.580 -11.093 4.378 1.00 0.00 O ATOM 2109 CB ASP B 79 -15.074 -8.962 4.260 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.996 -10.176 4.395 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -16.578 -10.359 5.493 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.225 -10.925 3.415 1.00 0.00 O ATOM 0 H ASP B 79 -13.532 -7.059 4.712 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.946 -9.647 5.953 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -15.591 -8.077 4.631 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -14.864 -8.789 3.205 1.00 0.00 H new ATOM 2117 N ILE B 80 -12.169 -9.205 3.263 1.00 0.00 N ATOM 2118 CA ILE B 80 -11.169 -9.735 2.355 1.00 0.00 C ATOM 2119 C ILE B 80 -9.958 -10.259 3.123 1.00 0.00 C ATOM 2120 O ILE B 80 -9.579 -11.426 2.970 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.723 -8.624 1.367 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -11.884 -8.212 0.491 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.566 -9.080 0.513 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.690 -6.903 -0.215 1.00 0.00 C ATOM 0 H ILE B 80 -12.352 -8.212 3.121 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.609 -10.565 1.801 1.00 0.00 H new ATOM 0 HB ILE B 80 -10.391 -7.767 1.953 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.057 -8.990 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.783 -8.151 1.104 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -9.278 -8.279 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.720 -9.335 1.152 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.862 -9.957 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.569 -6.683 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.549 -6.111 0.520 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.812 -6.963 -0.858 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.383 -9.408 3.967 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.193 -9.771 4.737 1.00 0.00 C ATOM 2138 C LEU B 81 -8.488 -10.990 5.587 1.00 0.00 C ATOM 2139 O LEU B 81 -7.746 -11.975 5.569 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.748 -8.615 5.635 1.00 0.00 C ATOM 2141 CG LEU B 81 -7.440 -7.283 4.953 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -7.058 -6.246 5.986 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.336 -7.434 3.914 1.00 0.00 C ATOM 0 H LEU B 81 -9.721 -8.461 4.137 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.387 -9.995 4.038 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.528 -8.443 6.377 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.857 -8.931 6.177 1.00 0.00 H new ATOM 0 HG LEU B 81 -8.340 -6.952 4.434 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.840 -5.300 5.489 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.883 -6.107 6.685 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -6.175 -6.582 6.529 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.141 -6.468 3.447 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.428 -7.793 4.398 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.648 -8.149 3.152 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.617 -10.936 6.267 1.00 0.00 N ATOM 2156 CA GLU B 82 -10.064 -12.002 7.117 1.00 0.00 C ATOM 2157 C GLU B 82 -10.308 -13.283 6.345 1.00 0.00 C ATOM 2158 O GLU B 82 -9.939 -14.331 6.806 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.310 -11.567 7.884 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.071 -12.641 8.568 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.301 -12.114 9.253 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.174 -11.357 10.239 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.417 -12.486 8.853 1.00 0.00 O ATOM 0 H GLU B 82 -10.251 -10.138 6.239 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.270 -12.220 7.832 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.012 -10.831 8.630 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -11.981 -11.063 7.188 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.359 -13.400 7.841 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.429 -13.129 9.301 1.00 0.00 H new ATOM 2170 N MET B 83 -10.841 -13.183 5.142 1.00 0.00 N ATOM 2171 CA MET B 83 -11.211 -14.368 4.380 1.00 0.00 C ATOM 2172 C MET B 83 -9.965 -15.116 3.965 1.00 0.00 C ATOM 2173 O MET B 83 -9.936 -16.343 3.919 1.00 0.00 O ATOM 2174 CB MET B 83 -12.057 -13.992 3.158 1.00 0.00 C ATOM 2175 CG MET B 83 -12.768 -15.173 2.505 1.00 0.00 C ATOM 2176 SD MET B 83 -13.778 -16.100 3.680 1.00 0.00 S ATOM 2177 CE MET B 83 -14.908 -14.820 4.233 1.00 0.00 C ATOM 0 H MET B 83 -11.028 -12.298 4.670 1.00 0.00 H new ATOM 0 HA MET B 83 -11.817 -15.017 5.012 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.801 -13.254 3.458 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.415 -13.514 2.418 1.00 0.00 H new ATOM 0 HG2 MET B 83 -13.399 -14.811 1.694 1.00 0.00 H new ATOM 0 HG3 MET B 83 -12.028 -15.839 2.061 1.00 0.00 H new ATOM 0 HE1 MET B 83 -15.761 -15.279 4.733 1.00 0.00 H new ATOM 0 HE2 MET B 83 -14.394 -14.156 4.928 1.00 0.00 H new ATOM 0 HE3 MET B 83 -15.257 -14.247 3.374 1.00 0.00 H new ATOM 2187 N THR B 84 -8.930 -14.361 3.745 1.00 0.00 N ATOM 2188 CA THR B 84 -7.650 -14.869 3.357 1.00 0.00 C ATOM 2189 C THR B 84 -7.002 -15.612 4.542 1.00 0.00 C ATOM 2190 O THR B 84 -6.465 -16.719 4.392 1.00 0.00 O ATOM 2191 CB THR B 84 -6.790 -13.686 2.894 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.592 -12.921 1.994 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.557 -14.146 2.131 1.00 0.00 C ATOM 0 H THR B 84 -8.955 -13.345 3.833 1.00 0.00 H new ATOM 0 HA THR B 84 -7.746 -15.583 2.539 1.00 0.00 H new ATOM 0 HB THR B 84 -6.462 -13.121 3.767 1.00 0.00 H new ATOM 0 HG1 THR B 84 -8.119 -12.268 2.500 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.976 -13.277 1.821 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.947 -14.780 2.774 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.864 -14.710 1.250 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.123 -15.030 5.724 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.599 -15.633 6.944 1.00 0.00 C ATOM 2203 C VAL B 85 -7.427 -16.873 7.304 1.00 0.00 C ATOM 2204 O VAL B 85 -6.897 -17.895 7.704 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.663 -14.644 8.122 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.115 -15.250 9.404 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -5.949 -13.376 7.788 1.00 0.00 C ATOM 0 H VAL B 85 -7.584 -14.131 5.867 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.559 -15.907 6.764 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.714 -14.415 8.296 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.179 -14.518 10.209 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.699 -16.132 9.668 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.074 -15.535 9.255 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.007 -12.692 8.635 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -4.904 -13.594 7.569 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.414 -12.915 6.917 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.727 -16.775 7.135 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.621 -17.880 7.420 1.00 0.00 C ATOM 2219 C LYS B 86 -9.375 -19.050 6.469 1.00 0.00 C ATOM 2220 O LYS B 86 -9.494 -20.218 6.855 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.084 -17.443 7.413 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.409 -16.369 8.455 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.900 -16.211 8.628 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.235 -15.496 9.923 1.00 0.00 C ATOM 2225 NZ LYS B 86 -14.674 -15.189 10.035 1.00 0.00 N ATOM 0 H LYS B 86 -9.194 -15.933 6.798 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.400 -18.226 8.430 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.336 -17.064 6.423 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.715 -18.313 7.592 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -10.956 -16.636 9.410 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -10.973 -15.418 8.149 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.308 -15.652 7.786 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.375 -17.192 8.619 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -12.931 -16.115 10.767 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -12.662 -14.571 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -14.959 -15.222 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -14.857 -14.239 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -15.221 -15.890 9.496 1.00 0.00 H new ATOM 2239 N HIS B 87 -8.995 -18.730 5.244 1.00 0.00 N ATOM 2240 CA HIS B 87 -8.615 -19.728 4.250 1.00 0.00 C ATOM 2241 C HIS B 87 -7.283 -20.373 4.645 1.00 0.00 C ATOM 2242 O HIS B 87 -7.062 -21.561 4.391 1.00 0.00 O ATOM 2243 CB HIS B 87 -8.525 -19.076 2.853 1.00 0.00 C ATOM 2244 CG HIS B 87 -8.053 -19.977 1.734 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -7.029 -19.650 0.877 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -8.522 -21.172 1.304 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -6.912 -20.617 -0.024 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -7.793 -21.572 0.184 1.00 0.00 N ATOM 0 H HIS B 87 -8.940 -17.769 4.906 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.375 -20.508 4.211 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -9.509 -18.688 2.590 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -7.851 -18.222 2.915 1.00 0.00 H new ATOM 0 HD1 HIS B 87 -6.456 -18.807 0.926 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -9.331 -21.727 1.756 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -6.187 -20.620 -0.825 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.437 -19.599 5.332 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.137 -20.056 5.780 1.00 0.00 C ATOM 2258 C LEU B 88 -5.392 -21.150 6.781 1.00 0.00 C ATOM 2259 O LEU B 88 -4.773 -22.202 6.739 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.391 -18.842 6.422 1.00 0.00 C ATOM 2261 CG LEU B 88 -2.927 -18.971 6.918 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.447 -17.605 7.353 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -2.785 -19.918 8.100 1.00 0.00 C ATOM 0 H LEU B 88 -6.645 -18.634 5.589 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.516 -20.441 4.971 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.409 -18.034 5.691 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.988 -18.515 7.273 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.338 -19.374 6.094 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.418 -17.676 7.705 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.495 -16.917 6.509 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -3.082 -17.236 8.159 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.739 -19.968 8.403 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.387 -19.554 8.933 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.127 -20.912 7.813 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.376 -20.899 7.634 1.00 0.00 N ATOM 2276 CA ARG B 89 -6.759 -21.827 8.676 1.00 0.00 C ATOM 2277 C ARG B 89 -7.225 -23.120 8.053 1.00 0.00 C ATOM 2278 O ARG B 89 -6.752 -24.184 8.405 1.00 0.00 O ATOM 2279 CB ARG B 89 -7.895 -21.261 9.546 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.706 -19.824 10.030 1.00 0.00 C ATOM 2281 CD ARG B 89 -6.322 -19.581 10.584 1.00 0.00 C ATOM 2282 NE ARG B 89 -5.969 -20.565 11.619 1.00 0.00 N ATOM 2283 CZ ARG B 89 -5.478 -20.291 12.826 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -5.411 -19.037 13.265 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -5.104 -21.289 13.618 1.00 0.00 N ATOM 0 H ARG B 89 -6.929 -20.042 7.618 1.00 0.00 H new ATOM 0 HA ARG B 89 -5.887 -21.997 9.308 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.824 -21.314 8.978 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.016 -21.905 10.417 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.889 -19.138 9.203 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.446 -19.602 10.799 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -5.593 -19.627 9.775 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.269 -18.577 11.004 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.114 -21.549 11.391 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.738 -18.272 12.675 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.033 -18.841 14.192 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.194 -22.254 13.300 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.727 -21.091 14.545 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.112 -22.989 7.070 1.00 0.00 N ATOM 2300 CA ASN B 90 -8.724 -24.125 6.378 1.00 0.00 C ATOM 2301 C ASN B 90 -7.689 -25.031 5.814 1.00 0.00 C ATOM 2302 O ASN B 90 -7.714 -26.236 6.051 1.00 0.00 O ATOM 2303 CB ASN B 90 -9.661 -23.685 5.248 1.00 0.00 C ATOM 2304 CG ASN B 90 -10.869 -22.896 5.707 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.356 -23.064 6.827 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.387 -22.057 4.843 1.00 0.00 N ATOM 0 H ASN B 90 -8.431 -22.083 6.726 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.310 -24.654 7.129 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.096 -23.080 4.539 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.003 -24.570 4.711 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.218 -21.519 5.089 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -10.959 -21.942 3.924 1.00 0.00 H new ATOM 2313 N LEU B 91 -6.766 -24.451 5.090 1.00 0.00 N ATOM 2314 CA LEU B 91 -5.706 -25.199 4.499 1.00 0.00 C ATOM 2315 C LEU B 91 -4.853 -25.836 5.578 1.00 0.00 C ATOM 2316 O LEU B 91 -4.619 -27.013 5.539 1.00 0.00 O ATOM 2317 CB LEU B 91 -4.866 -24.310 3.596 1.00 0.00 C ATOM 2318 CG LEU B 91 -5.610 -23.661 2.424 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -4.706 -22.701 1.690 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -6.140 -24.719 1.467 1.00 0.00 C ATOM 0 H LEU B 91 -6.735 -23.450 4.899 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.134 -25.992 3.886 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -4.424 -23.520 4.204 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.043 -24.903 3.196 1.00 0.00 H new ATOM 0 HG LEU B 91 -6.457 -23.106 2.827 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.251 -22.250 0.861 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -4.373 -21.920 2.374 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -3.840 -23.239 1.305 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -6.664 -24.235 0.643 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -5.308 -25.304 1.074 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -6.828 -25.378 1.997 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.528 -25.073 6.605 1.00 0.00 N ATOM 2333 CA GLN B 92 -3.628 -25.520 7.694 1.00 0.00 C ATOM 2334 C GLN B 92 -4.185 -26.698 8.491 1.00 0.00 C ATOM 2335 O GLN B 92 -3.434 -27.445 9.112 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.335 -24.368 8.649 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.217 -23.451 8.230 1.00 0.00 C ATOM 2338 CD GLN B 92 -0.871 -24.089 8.438 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -0.698 -24.924 9.311 1.00 0.00 O ATOM 2340 NE2 GLN B 92 0.088 -23.685 7.684 1.00 0.00 N ATOM 0 H GLN B 92 -4.873 -24.120 6.723 1.00 0.00 H new ATOM 0 HA GLN B 92 -2.712 -25.856 7.209 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.243 -23.776 8.767 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.095 -24.782 9.628 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.337 -23.187 7.179 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.273 -22.524 8.800 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.090 -22.986 6.963 1.00 0.00 H new ATOM 0 HE22 GLN B 92 1.027 -24.064 7.806 1.00 0.00 H new ATOM 2349 N ARG B 93 -5.470 -26.886 8.442 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.104 -27.939 9.239 1.00 0.00 C ATOM 2351 C ARG B 93 -6.639 -29.032 8.366 1.00 0.00 C ATOM 2352 O ARG B 93 -7.289 -29.972 8.822 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.173 -27.358 10.176 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.250 -26.525 9.505 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.347 -27.341 8.836 1.00 0.00 C ATOM 2356 NE ARG B 93 -10.366 -26.464 8.251 1.00 0.00 N ATOM 2357 CZ ARG B 93 -11.196 -26.789 7.249 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -11.137 -27.990 6.676 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -12.079 -25.901 6.811 1.00 0.00 N ATOM 0 H ARG B 93 -6.111 -26.338 7.869 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.342 -28.390 9.874 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -7.653 -28.181 10.706 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -6.677 -26.742 10.926 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -8.703 -25.870 10.249 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -7.784 -25.883 8.758 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -8.915 -27.972 8.059 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.809 -28.006 9.566 1.00 0.00 H new ATOM 0 HE ARG B 93 -10.451 -25.525 8.640 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -10.454 -28.676 6.998 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -11.774 -28.224 5.915 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -12.125 -24.975 7.236 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -12.712 -26.144 6.049 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.351 -28.914 7.103 1.00 0.00 N ATOM 2374 CA ALA B 94 -6.753 -29.890 6.135 1.00 0.00 C ATOM 2375 C ALA B 94 -5.612 -30.859 5.909 1.00 0.00 C ATOM 2376 O ALA B 94 -5.583 -31.597 4.933 1.00 0.00 O ATOM 2377 CB ALA B 94 -7.115 -29.199 4.842 1.00 0.00 C ATOM 0 H ALA B 94 -5.826 -28.131 6.713 1.00 0.00 H new ATOM 0 HA ALA B 94 -7.624 -30.437 6.496 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -7.421 -29.942 4.106 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.936 -28.504 5.018 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -6.250 -28.652 4.467 1.00 0.00 H new ATOM 2383 N GLN B 95 -4.673 -30.850 6.819 1.00 0.00 N ATOM 2384 CA GLN B 95 -3.521 -31.681 6.699 1.00 0.00 C ATOM 2385 C GLN B 95 -3.860 -33.016 7.307 1.00 0.00 C ATOM 2386 O GLN B 95 -4.189 -33.952 6.563 1.00 0.00 O ATOM 2387 CB GLN B 95 -2.319 -31.065 7.425 1.00 0.00 C ATOM 2388 CG GLN B 95 -2.035 -29.603 7.106 1.00 0.00 C ATOM 2389 CD GLN B 95 -1.852 -29.317 5.642 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -0.749 -29.420 5.104 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -2.894 -28.870 5.021 1.00 0.00 N ATOM 0 H GLN B 95 -4.692 -30.268 7.656 1.00 0.00 H new ATOM 0 HA GLN B 95 -3.249 -31.788 5.649 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -2.479 -31.159 8.499 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -1.432 -31.650 7.182 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -2.856 -28.994 7.484 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -1.137 -29.294 7.640 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.788 -28.802 5.508 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -2.822 -28.585 4.044 1.00 0.00 H new