USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=28 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: B 58 LYS NZ :NH3+ -98:sc= 1.21 (180deg=-0.322) USER MOD Set 1.2: B 59 THR OG1 : rot 81:sc= 1.15 USER MOD Set 1.3: B 72 HIS : no HE2:sc= -1.28 K(o=1.1,f=-9.3!) USER MOD Set 2.1: A 92 GLN : amide:sc= -0.869 K(o=-4.6,f=-5.5) USER MOD Set 2.2: B 87 HIS : no HE2:sc= -3.74! C(o=-4.6!,f=-7.7!) USER MOD Set 3.1: A 87 HIS :FLIP no HD1:sc= -1.57 F(o=-2.7,f=-2.1) USER MOD Set 3.2: A 90 ASN :FLIP amide:sc= -0.563 X(o=-2.2,f=-2.1) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0764 (180deg=-0.45) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.667 K(o=0.67,f=-0.071) USER MOD Single : A 53 SER OG : rot 76:sc= 1.25 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.0899 X(o=0.09,f=-0.34) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 0.453 (180deg=0.000527) USER MOD Single : A 67 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 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-4.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -140:sc= -1.67! (180deg=-2.96!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -149:sc= -1.93 (180deg=-3.53!) USER MOD Single : A 84 THR OG1 : rot 91:sc= -0.238 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0.902 K(o=0.9,f=-0.17) USER MOD Single : B 53 SER OG : rot -83:sc= 0.788 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= 0.941 K(o=0.94,f=-3.9!) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0299) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 86:sc= 1.12 USER MOD Single : B 73 SER OG : rot 73:sc= 0.272 USER MOD Single : B 74 LYS NZ :NH3+ -162:sc= 1.32 (180deg=1.05) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl -162:sc= -0.173 (180deg=-0.772) USER MOD Single : B 84 THR OG1 : rot 96:sc= -0.37 USER MOD Single : B 86 LYS NZ :NH3+ -162:sc= 1.27 (180deg=0.867) USER MOD Single : B 90 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.55) USER MOD Single : B 92 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.8!) USER MOD Single : B 95 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -19.280 3.522 10.918 1.00 0.00 N ATOM 269 CA MET A 42 -19.317 2.225 10.255 1.00 0.00 C ATOM 270 C MET A 42 -17.982 1.892 9.631 1.00 0.00 C ATOM 271 O MET A 42 -17.469 0.783 9.792 1.00 0.00 O ATOM 272 CB MET A 42 -20.416 2.170 9.201 1.00 0.00 C ATOM 273 CG MET A 42 -21.815 2.331 9.767 1.00 0.00 C ATOM 274 SD MET A 42 -22.281 1.009 10.914 1.00 0.00 S ATOM 275 CE MET A 42 -22.244 -0.430 9.835 1.00 0.00 C ATOM 0 HA MET A 42 -19.538 1.480 11.019 1.00 0.00 H new ATOM 0 HB2 MET A 42 -20.240 2.954 8.464 1.00 0.00 H new ATOM 0 HB3 MET A 42 -20.354 1.218 8.674 1.00 0.00 H new ATOM 0 HG2 MET A 42 -21.883 3.290 10.281 1.00 0.00 H new ATOM 0 HG3 MET A 42 -22.531 2.359 8.945 1.00 0.00 H new ATOM 0 HE1 MET A 42 -22.788 -1.250 10.303 1.00 0.00 H new ATOM 0 HE2 MET A 42 -22.711 -0.182 8.882 1.00 0.00 H new ATOM 0 HE3 MET A 42 -21.210 -0.731 9.665 1.00 0.00 H new ATOM 285 N GLU A 43 -17.383 2.861 8.969 1.00 0.00 N ATOM 286 CA GLU A 43 -16.123 2.622 8.308 1.00 0.00 C ATOM 287 C GLU A 43 -14.979 2.563 9.307 1.00 0.00 C ATOM 288 O GLU A 43 -13.923 2.045 8.993 1.00 0.00 O ATOM 289 CB GLU A 43 -15.826 3.641 7.215 1.00 0.00 C ATOM 290 CG GLU A 43 -15.464 5.022 7.704 1.00 0.00 C ATOM 291 CD GLU A 43 -15.101 5.924 6.572 1.00 0.00 C ATOM 292 OE1 GLU A 43 -13.982 5.777 6.000 1.00 0.00 O ATOM 293 OE2 GLU A 43 -15.905 6.788 6.207 1.00 0.00 O ATOM 0 H GLU A 43 -17.746 3.810 8.877 1.00 0.00 H new ATOM 0 HA GLU A 43 -16.214 1.651 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.007 3.264 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -16.699 3.720 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.304 5.446 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.628 4.955 8.400 1.00 0.00 H new ATOM 300 N LYS A 44 -15.196 3.101 10.502 1.00 0.00 N ATOM 301 CA LYS A 44 -14.211 3.030 11.569 1.00 0.00 C ATOM 302 C LYS A 44 -14.135 1.609 12.062 1.00 0.00 C ATOM 303 O LYS A 44 -13.055 1.066 12.266 1.00 0.00 O ATOM 304 CB LYS A 44 -14.606 3.947 12.706 1.00 0.00 C ATOM 305 CG LYS A 44 -13.617 4.001 13.837 1.00 0.00 C ATOM 306 CD LYS A 44 -13.994 5.072 14.826 1.00 0.00 C ATOM 307 CE LYS A 44 -15.335 4.798 15.500 1.00 0.00 C ATOM 308 NZ LYS A 44 -15.705 5.866 16.443 1.00 0.00 N ATOM 0 H LYS A 44 -16.052 3.594 10.755 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.239 3.346 11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.744 4.954 12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.570 3.624 13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.578 3.034 14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.619 4.197 13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.217 5.149 15.587 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.037 6.034 14.316 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.110 4.701 14.740 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.287 3.847 16.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.622 5.642 16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.979 5.942 17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.776 6.770 15.933 1.00 0.00 H new ATOM 322 N ARG A 45 -15.309 1.011 12.216 1.00 0.00 N ATOM 323 CA ARG A 45 -15.451 -0.383 12.614 1.00 0.00 C ATOM 324 C ARG A 45 -14.833 -1.276 11.551 1.00 0.00 C ATOM 325 O ARG A 45 -14.159 -2.265 11.852 1.00 0.00 O ATOM 326 CB ARG A 45 -16.929 -0.713 12.780 1.00 0.00 C ATOM 327 CG ARG A 45 -17.595 0.008 13.939 1.00 0.00 C ATOM 328 CD ARG A 45 -19.103 -0.148 13.892 1.00 0.00 C ATOM 329 NE ARG A 45 -19.516 -1.565 13.803 1.00 0.00 N ATOM 330 CZ ARG A 45 -20.774 -1.993 13.553 1.00 0.00 C ATOM 331 NH1 ARG A 45 -21.780 -1.128 13.463 1.00 0.00 N ATOM 332 NH2 ARG A 45 -21.016 -3.289 13.400 1.00 0.00 N ATOM 0 H ARG A 45 -16.199 1.486 12.066 1.00 0.00 H new ATOM 0 HA ARG A 45 -14.940 -0.551 13.562 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.453 -0.460 11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.037 -1.788 12.924 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.216 -0.387 14.882 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.336 1.066 13.909 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.541 0.301 14.784 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.496 0.398 13.034 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.796 -2.274 13.941 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -21.607 -0.130 13.583 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -22.725 -1.463 13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.253 -3.962 13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -21.965 -3.612 13.211 1.00 0.00 H new ATOM 346 N ARG A 46 -15.077 -0.912 10.308 1.00 0.00 N ATOM 347 CA ARG A 46 -14.493 -1.586 9.168 1.00 0.00 C ATOM 348 C ARG A 46 -12.979 -1.489 9.220 1.00 0.00 C ATOM 349 O ARG A 46 -12.289 -2.482 9.147 1.00 0.00 O ATOM 350 CB ARG A 46 -14.975 -0.941 7.881 1.00 0.00 C ATOM 351 CG ARG A 46 -14.350 -1.525 6.629 1.00 0.00 C ATOM 352 CD ARG A 46 -14.720 -0.707 5.412 1.00 0.00 C ATOM 353 NE ARG A 46 -14.238 0.690 5.489 1.00 0.00 N ATOM 354 CZ ARG A 46 -14.293 1.584 4.474 1.00 0.00 C ATOM 355 NH1 ARG A 46 -14.776 1.222 3.278 1.00 0.00 N ATOM 356 NH2 ARG A 46 -13.854 2.836 4.658 1.00 0.00 N ATOM 0 H ARG A 46 -15.690 -0.135 10.060 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.796 -2.633 9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -16.058 -1.046 7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.760 0.127 7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.266 -1.553 6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.684 -2.554 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.305 -1.181 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.804 -0.706 5.297 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.834 1.002 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.105 0.268 3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.815 1.900 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.478 3.117 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.896 3.509 3.893 1.00 0.00 H new ATOM 370 N ARG A 47 -12.487 -0.273 9.328 1.00 0.00 N ATOM 371 CA ARG A 47 -11.067 0.008 9.359 1.00 0.00 C ATOM 372 C ARG A 47 -10.373 -0.705 10.518 1.00 0.00 C ATOM 373 O ARG A 47 -9.271 -1.222 10.362 1.00 0.00 O ATOM 374 CB ARG A 47 -10.803 1.518 9.368 1.00 0.00 C ATOM 375 CG ARG A 47 -9.335 1.910 9.274 1.00 0.00 C ATOM 376 CD ARG A 47 -9.171 3.422 9.263 1.00 0.00 C ATOM 377 NE ARG A 47 -9.657 4.045 10.504 1.00 0.00 N ATOM 378 CZ ARG A 47 -9.975 5.348 10.647 1.00 0.00 C ATOM 379 NH1 ARG A 47 -9.937 6.174 9.596 1.00 0.00 N ATOM 380 NH2 ARG A 47 -10.339 5.813 11.839 1.00 0.00 N ATOM 0 H ARG A 47 -13.071 0.560 9.398 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.631 -0.391 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.340 1.971 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.219 1.940 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.788 1.488 10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.900 1.487 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.119 3.670 9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.713 3.838 8.414 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.762 3.444 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.666 5.820 8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.179 7.158 9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.377 5.185 12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.580 6.798 11.950 1.00 0.00 H new ATOM 394 N ALA A 48 -11.032 -0.756 11.661 1.00 0.00 N ATOM 395 CA ALA A 48 -10.521 -1.480 12.806 1.00 0.00 C ATOM 396 C ALA A 48 -10.377 -2.942 12.436 1.00 0.00 C ATOM 397 O ALA A 48 -9.318 -3.531 12.619 1.00 0.00 O ATOM 398 CB ALA A 48 -11.443 -1.316 14.009 1.00 0.00 C ATOM 0 H ALA A 48 -11.930 -0.300 11.820 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.547 -1.077 13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.038 -1.869 14.856 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.519 -0.260 14.268 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.433 -1.702 13.764 1.00 0.00 H new ATOM 404 N ARG A 49 -11.426 -3.479 11.809 1.00 0.00 N ATOM 405 CA ARG A 49 -11.465 -4.868 11.366 1.00 0.00 C ATOM 406 C ARG A 49 -10.332 -5.125 10.360 1.00 0.00 C ATOM 407 O ARG A 49 -9.739 -6.201 10.362 1.00 0.00 O ATOM 408 CB ARG A 49 -12.824 -5.175 10.719 1.00 0.00 C ATOM 409 CG ARG A 49 -13.073 -6.646 10.377 1.00 0.00 C ATOM 410 CD ARG A 49 -13.279 -7.483 11.627 1.00 0.00 C ATOM 411 NE ARG A 49 -14.439 -7.013 12.398 1.00 0.00 N ATOM 412 CZ ARG A 49 -14.984 -7.635 13.440 1.00 0.00 C ATOM 413 NH1 ARG A 49 -14.493 -8.792 13.864 1.00 0.00 N ATOM 414 NH2 ARG A 49 -16.022 -7.090 14.063 1.00 0.00 N ATOM 0 H ARG A 49 -12.275 -2.957 11.595 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.330 -5.521 12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.612 -4.838 11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.913 -4.587 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.950 -6.728 9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.227 -7.037 9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.423 -8.527 11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.384 -7.439 12.248 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.864 -6.132 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.692 -9.210 13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.916 -9.263 14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.398 -6.198 13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.443 -7.563 14.862 1.00 0.00 H new ATOM 428 N ILE A 50 -10.047 -4.126 9.503 1.00 0.00 N ATOM 429 CA ILE A 50 -8.940 -4.191 8.546 1.00 0.00 C ATOM 430 C ILE A 50 -7.636 -4.479 9.287 1.00 0.00 C ATOM 431 O ILE A 50 -6.976 -5.489 9.037 1.00 0.00 O ATOM 432 CB ILE A 50 -8.787 -2.851 7.773 1.00 0.00 C ATOM 433 CG1 ILE A 50 -10.063 -2.546 6.988 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.563 -2.877 6.859 1.00 0.00 C ATOM 435 CD1 ILE A 50 -10.066 -1.221 6.275 1.00 0.00 C ATOM 0 H ILE A 50 -10.579 -3.257 9.459 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.158 -4.987 7.834 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.632 -2.051 8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.219 -3.337 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.910 -2.575 7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.482 -1.926 6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.666 -3.038 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.666 -3.686 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.011 -1.094 5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.945 -0.417 7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.244 -1.191 5.560 1.00 0.00 H new ATOM 447 N ASN A 51 -7.320 -3.613 10.245 1.00 0.00 N ATOM 448 CA ASN A 51 -6.094 -3.734 11.045 1.00 0.00 C ATOM 449 C ASN A 51 -6.065 -5.049 11.775 1.00 0.00 C ATOM 450 O ASN A 51 -5.068 -5.755 11.746 1.00 0.00 O ATOM 451 CB ASN A 51 -5.951 -2.589 12.060 1.00 0.00 C ATOM 452 CG ASN A 51 -5.724 -1.238 11.424 1.00 0.00 C ATOM 453 OD1 ASN A 51 -4.598 -0.845 11.164 1.00 0.00 O ATOM 454 ND2 ASN A 51 -6.779 -0.511 11.178 1.00 0.00 N ATOM 0 H ASN A 51 -7.899 -2.810 10.492 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.257 -3.680 10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.851 -2.545 12.674 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.119 -2.810 12.729 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.675 0.412 10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.708 -0.866 11.406 1.00 0.00 H new ATOM 461 N GLU A 52 -7.186 -5.393 12.390 1.00 0.00 N ATOM 462 CA GLU A 52 -7.317 -6.642 13.140 1.00 0.00 C ATOM 463 C GLU A 52 -7.056 -7.863 12.259 1.00 0.00 C ATOM 464 O GLU A 52 -6.427 -8.840 12.700 1.00 0.00 O ATOM 465 CB GLU A 52 -8.702 -6.761 13.780 1.00 0.00 C ATOM 466 CG GLU A 52 -9.027 -5.661 14.775 1.00 0.00 C ATOM 467 CD GLU A 52 -8.023 -5.571 15.885 1.00 0.00 C ATOM 468 OE1 GLU A 52 -8.110 -6.364 16.837 1.00 0.00 O ATOM 469 OE2 GLU A 52 -7.128 -4.708 15.834 1.00 0.00 O ATOM 0 H GLU A 52 -8.030 -4.820 12.386 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.562 -6.615 13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.455 -6.756 12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.775 -7.724 14.285 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.072 -4.705 14.252 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.016 -5.840 15.198 1.00 0.00 H new ATOM 476 N SER A 53 -7.506 -7.807 11.022 1.00 0.00 N ATOM 477 CA SER A 53 -7.342 -8.905 10.131 1.00 0.00 C ATOM 478 C SER A 53 -5.910 -8.966 9.620 1.00 0.00 C ATOM 479 O SER A 53 -5.303 -10.014 9.643 1.00 0.00 O ATOM 480 CB SER A 53 -8.346 -8.820 8.993 1.00 0.00 C ATOM 481 OG SER A 53 -9.665 -8.759 9.510 1.00 0.00 O ATOM 0 H SER A 53 -7.989 -7.002 10.622 1.00 0.00 H new ATOM 0 HA SER A 53 -7.537 -9.832 10.671 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.144 -7.938 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.242 -9.687 8.341 1.00 0.00 H new ATOM 0 HG SER A 53 -9.836 -7.862 9.865 1.00 0.00 H new ATOM 487 N LEU A 54 -5.353 -7.815 9.243 1.00 0.00 N ATOM 488 CA LEU A 54 -3.993 -7.747 8.706 1.00 0.00 C ATOM 489 C LEU A 54 -2.980 -8.151 9.799 1.00 0.00 C ATOM 490 O LEU A 54 -1.983 -8.836 9.529 1.00 0.00 O ATOM 491 CB LEU A 54 -3.709 -6.319 8.186 1.00 0.00 C ATOM 492 CG LEU A 54 -2.854 -6.196 6.900 1.00 0.00 C ATOM 493 CD1 LEU A 54 -2.813 -4.754 6.425 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.440 -6.707 7.103 1.00 0.00 C ATOM 0 H LEU A 54 -5.825 -6.913 9.300 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.892 -8.442 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.665 -5.828 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.210 -5.763 8.979 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.329 -6.818 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.208 -4.686 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.826 -4.413 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.376 -4.127 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.878 -6.601 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.954 -6.130 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.471 -7.758 7.390 1.00 0.00 H new ATOM 506 N SER A 55 -3.273 -7.752 11.031 1.00 0.00 N ATOM 507 CA SER A 55 -2.449 -8.069 12.176 1.00 0.00 C ATOM 508 C SER A 55 -2.370 -9.588 12.373 1.00 0.00 C ATOM 509 O SER A 55 -1.277 -10.152 12.450 1.00 0.00 O ATOM 510 CB SER A 55 -3.007 -7.380 13.438 1.00 0.00 C ATOM 511 OG SER A 55 -2.175 -7.593 14.573 1.00 0.00 O ATOM 0 H SER A 55 -4.097 -7.195 11.258 1.00 0.00 H new ATOM 0 HA SER A 55 -1.440 -7.697 11.999 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.103 -6.310 13.254 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.008 -7.759 13.646 1.00 0.00 H new ATOM 0 HG SER A 55 -2.561 -7.140 15.351 1.00 0.00 H new ATOM 517 N GLN A 56 -3.514 -10.261 12.400 1.00 0.00 N ATOM 518 CA GLN A 56 -3.515 -11.704 12.611 1.00 0.00 C ATOM 519 C GLN A 56 -3.011 -12.431 11.359 1.00 0.00 C ATOM 520 O GLN A 56 -2.407 -13.496 11.453 1.00 0.00 O ATOM 521 CB GLN A 56 -4.898 -12.208 13.031 1.00 0.00 C ATOM 522 CG GLN A 56 -5.972 -12.056 11.975 1.00 0.00 C ATOM 523 CD GLN A 56 -7.321 -12.494 12.456 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.686 -13.665 12.344 1.00 0.00 O ATOM 525 NE2 GLN A 56 -8.083 -11.571 12.977 1.00 0.00 N ATOM 0 H GLN A 56 -4.436 -9.842 12.281 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.831 -11.926 13.430 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.820 -13.261 13.302 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.209 -11.671 13.927 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.023 -11.013 11.662 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.697 -12.639 11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.744 -10.612 13.052 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.018 -11.809 13.309 1.00 0.00 H new ATOM 534 N LEU A 57 -3.239 -11.815 10.212 1.00 0.00 N ATOM 535 CA LEU A 57 -2.804 -12.313 8.920 1.00 0.00 C ATOM 536 C LEU A 57 -1.293 -12.486 8.907 1.00 0.00 C ATOM 537 O LEU A 57 -0.800 -13.600 8.735 1.00 0.00 O ATOM 538 CB LEU A 57 -3.319 -11.338 7.822 1.00 0.00 C ATOM 539 CG LEU A 57 -2.960 -11.590 6.360 1.00 0.00 C ATOM 540 CD1 LEU A 57 -4.067 -11.044 5.465 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.689 -10.862 6.019 1.00 0.00 C ATOM 0 H LEU A 57 -3.745 -10.931 10.153 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.222 -13.299 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.407 -11.314 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.962 -10.341 8.078 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.836 -12.662 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.812 -11.223 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.006 -11.545 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.176 -9.973 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.435 -11.043 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.828 -9.793 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.881 -11.221 6.657 1.00 0.00 H new ATOM 553 N LYS A 58 -0.567 -11.400 9.158 1.00 0.00 N ATOM 554 CA LYS A 58 0.895 -11.462 9.209 1.00 0.00 C ATOM 555 C LYS A 58 1.369 -12.412 10.308 1.00 0.00 C ATOM 556 O LYS A 58 2.347 -13.118 10.127 1.00 0.00 O ATOM 557 CB LYS A 58 1.555 -10.073 9.401 1.00 0.00 C ATOM 558 CG LYS A 58 1.229 -9.380 10.717 1.00 0.00 C ATOM 559 CD LYS A 58 2.147 -8.198 10.970 1.00 0.00 C ATOM 560 CE LYS A 58 1.869 -7.570 12.327 1.00 0.00 C ATOM 561 NZ LYS A 58 2.869 -6.543 12.675 1.00 0.00 N ATOM 0 H LYS A 58 -0.960 -10.474 9.328 1.00 0.00 H new ATOM 0 HA LYS A 58 1.210 -11.843 8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.636 -10.188 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.247 -9.425 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.193 -9.040 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.319 -10.093 11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.186 -8.524 10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.010 -7.453 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.875 -7.122 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.865 -8.346 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.643 -6.140 13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.815 -6.975 12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.855 -5.789 11.959 1.00 0.00 H new ATOM 575 N THR A 59 0.637 -12.445 11.419 1.00 0.00 N ATOM 576 CA THR A 59 0.992 -13.278 12.550 1.00 0.00 C ATOM 577 C THR A 59 0.944 -14.770 12.175 1.00 0.00 C ATOM 578 O THR A 59 1.931 -15.486 12.328 1.00 0.00 O ATOM 579 CB THR A 59 0.060 -12.996 13.761 1.00 0.00 C ATOM 580 OG1 THR A 59 0.136 -11.598 14.116 1.00 0.00 O ATOM 581 CG2 THR A 59 0.459 -13.825 14.972 1.00 0.00 C ATOM 0 H THR A 59 -0.212 -11.897 11.554 1.00 0.00 H new ATOM 0 HA THR A 59 2.014 -13.030 12.836 1.00 0.00 H new ATOM 0 HB THR A 59 -0.956 -13.264 13.469 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.569 -11.103 13.648 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.213 -13.604 15.802 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.394 -14.885 14.725 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.482 -13.581 15.259 1.00 0.00 H new ATOM 589 N LEU A 60 -0.178 -15.208 11.626 1.00 0.00 N ATOM 590 CA LEU A 60 -0.351 -16.607 11.274 1.00 0.00 C ATOM 591 C LEU A 60 0.506 -17.007 10.090 1.00 0.00 C ATOM 592 O LEU A 60 0.965 -18.141 10.014 1.00 0.00 O ATOM 593 CB LEU A 60 -1.824 -16.971 11.055 1.00 0.00 C ATOM 594 CG LEU A 60 -2.661 -17.301 12.309 1.00 0.00 C ATOM 595 CD1 LEU A 60 -2.665 -16.166 13.324 1.00 0.00 C ATOM 596 CD2 LEU A 60 -4.074 -17.657 11.907 1.00 0.00 C ATOM 0 H LEU A 60 -0.981 -14.615 11.415 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.004 -17.186 12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.304 -16.141 10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.864 -17.830 10.386 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.194 -18.157 12.796 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.268 -16.451 14.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.644 -15.963 13.647 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.086 -15.270 12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.658 -17.889 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.527 -16.814 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.057 -18.525 11.248 1.00 0.00 H new ATOM 608 N ILE A 61 0.736 -16.083 9.177 1.00 0.00 N ATOM 609 CA ILE A 61 1.614 -16.352 8.057 1.00 0.00 C ATOM 610 C ILE A 61 3.048 -16.518 8.539 1.00 0.00 C ATOM 611 O ILE A 61 3.680 -17.541 8.289 1.00 0.00 O ATOM 612 CB ILE A 61 1.532 -15.251 6.965 1.00 0.00 C ATOM 613 CG1 ILE A 61 0.178 -15.315 6.247 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.682 -15.357 5.963 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.081 -16.625 5.511 1.00 0.00 C ATOM 0 H ILE A 61 0.330 -15.147 9.189 1.00 0.00 H new ATOM 0 HA ILE A 61 1.279 -17.282 7.599 1.00 0.00 H new ATOM 0 HB ILE A 61 1.624 -14.284 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.615 -15.160 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.119 -14.493 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.588 -14.569 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.632 -15.249 6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.648 -16.329 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.059 -16.586 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.688 -16.775 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.058 -17.452 6.221 1.00 0.00 H new ATOM 627 N LEU A 62 3.525 -15.555 9.299 1.00 0.00 N ATOM 628 CA LEU A 62 4.893 -15.565 9.776 1.00 0.00 C ATOM 629 C LEU A 62 5.115 -16.810 10.638 1.00 0.00 C ATOM 630 O LEU A 62 6.181 -17.423 10.596 1.00 0.00 O ATOM 631 CB LEU A 62 5.170 -14.274 10.587 1.00 0.00 C ATOM 632 CG LEU A 62 6.628 -13.755 10.677 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.573 -14.724 11.369 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.143 -13.373 9.299 1.00 0.00 C ATOM 0 H LEU A 62 2.980 -14.748 9.602 1.00 0.00 H new ATOM 0 HA LEU A 62 5.583 -15.595 8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.560 -13.477 10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.813 -14.438 11.604 1.00 0.00 H new ATOM 0 HG LEU A 62 6.603 -12.865 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.576 -14.297 11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.227 -14.905 12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.595 -15.666 10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.168 -13.011 9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.118 -14.246 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.513 -12.588 8.880 1.00 0.00 H new ATOM 646 N ASP A 63 4.077 -17.220 11.338 1.00 0.00 N ATOM 647 CA ASP A 63 4.168 -18.336 12.251 1.00 0.00 C ATOM 648 C ASP A 63 4.074 -19.662 11.545 1.00 0.00 C ATOM 649 O ASP A 63 4.581 -20.662 12.027 1.00 0.00 O ATOM 650 CB ASP A 63 3.064 -18.312 13.228 1.00 0.00 C ATOM 651 CG ASP A 63 3.436 -18.895 14.568 1.00 0.00 C ATOM 652 OD1 ASP A 63 3.946 -18.148 15.430 1.00 0.00 O ATOM 653 OD2 ASP A 63 3.231 -20.100 14.796 1.00 0.00 O ATOM 0 H ASP A 63 3.153 -16.791 11.289 1.00 0.00 H new ATOM 0 HA ASP A 63 5.138 -18.234 12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.734 -17.282 13.367 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.217 -18.866 12.822 1.00 0.00 H new ATOM 658 N ALA A 64 3.402 -19.703 10.444 1.00 0.00 N ATOM 659 CA ALA A 64 3.238 -20.963 9.780 1.00 0.00 C ATOM 660 C ALA A 64 4.466 -21.322 8.982 1.00 0.00 C ATOM 661 O ALA A 64 4.845 -22.484 8.896 1.00 0.00 O ATOM 662 CB ALA A 64 1.984 -20.997 8.933 1.00 0.00 C ATOM 0 H ALA A 64 2.964 -18.902 9.989 1.00 0.00 H new ATOM 0 HA ALA A 64 3.114 -21.724 10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.899 -21.969 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.113 -20.830 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.036 -20.216 8.174 1.00 0.00 H new ATOM 668 N LEU A 65 5.108 -20.330 8.433 1.00 0.00 N ATOM 669 CA LEU A 65 6.297 -20.591 7.635 1.00 0.00 C ATOM 670 C LEU A 65 7.509 -20.498 8.504 1.00 0.00 C ATOM 671 O LEU A 65 8.534 -21.100 8.212 1.00 0.00 O ATOM 672 CB LEU A 65 6.438 -19.657 6.408 1.00 0.00 C ATOM 673 CG LEU A 65 5.334 -19.730 5.348 1.00 0.00 C ATOM 674 CD1 LEU A 65 4.057 -19.151 5.879 1.00 0.00 C ATOM 675 CD2 LEU A 65 5.754 -19.011 4.087 1.00 0.00 C ATOM 0 H LEU A 65 4.844 -19.348 8.514 1.00 0.00 H new ATOM 0 HA LEU A 65 6.195 -21.599 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.494 -18.630 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.389 -19.877 5.923 1.00 0.00 H new ATOM 0 HG LEU A 65 5.165 -20.779 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.284 -19.211 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.741 -19.712 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.216 -18.108 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.955 -19.076 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.954 -17.964 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.656 -19.474 3.687 1.00 0.00 H new ATOM 687 N LYS A 66 7.367 -19.744 9.598 1.00 0.00 N ATOM 688 CA LYS A 66 8.423 -19.536 10.569 1.00 0.00 C ATOM 689 C LYS A 66 9.617 -18.911 9.898 1.00 0.00 C ATOM 690 O LYS A 66 10.689 -19.514 9.749 1.00 0.00 O ATOM 691 CB LYS A 66 8.739 -20.833 11.317 1.00 0.00 C ATOM 692 CG LYS A 66 7.574 -21.404 12.173 1.00 0.00 C ATOM 693 CD LYS A 66 7.550 -20.857 13.574 1.00 0.00 C ATOM 694 CE LYS A 66 6.839 -19.543 13.608 1.00 0.00 C ATOM 695 NZ LYS A 66 6.786 -18.956 14.958 1.00 0.00 N ATOM 0 H LYS A 66 6.500 -19.258 9.829 1.00 0.00 H new ATOM 0 HA LYS A 66 8.092 -18.833 11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.039 -21.588 10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.596 -20.659 11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.627 -21.177 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.659 -22.490 12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.053 -21.564 14.239 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.569 -20.736 13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.339 -18.847 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.824 -19.675 13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.864 -18.495 15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.912 -19.706 15.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.544 -18.252 15.060 1.00 0.00 H new ATOM 709 N LYS A 67 9.367 -17.713 9.428 1.00 0.00 N ATOM 710 CA LYS A 67 10.329 -16.928 8.698 1.00 0.00 C ATOM 711 C LYS A 67 11.424 -16.420 9.606 1.00 0.00 C ATOM 712 O LYS A 67 12.515 -16.991 9.650 1.00 0.00 O ATOM 713 CB LYS A 67 9.639 -15.752 8.037 1.00 0.00 C ATOM 714 CG LYS A 67 8.692 -16.088 6.905 1.00 0.00 C ATOM 715 CD LYS A 67 9.463 -16.469 5.668 1.00 0.00 C ATOM 716 CE LYS A 67 8.549 -16.638 4.476 1.00 0.00 C ATOM 717 NZ LYS A 67 9.298 -16.825 3.214 1.00 0.00 N ATOM 0 H LYS A 67 8.467 -17.247 9.546 1.00 0.00 H new ATOM 0 HA LYS A 67 10.779 -17.569 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.083 -15.207 8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.404 -15.075 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.039 -16.909 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.052 -15.232 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.207 -15.703 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.005 -17.398 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.898 -17.497 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.906 -15.762 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.628 -16.936 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.900 -15.995 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.892 -17.675 3.286 1.00 0.00 H new ATOM 731 N ASP A 68 11.122 -15.361 10.348 1.00 0.00 N ATOM 732 CA ASP A 68 12.073 -14.743 11.253 1.00 0.00 C ATOM 733 C ASP A 68 11.392 -13.628 11.917 1.00 0.00 C ATOM 734 O ASP A 68 10.470 -13.036 11.343 1.00 0.00 O ATOM 735 CB ASP A 68 13.261 -14.163 10.508 1.00 0.00 C ATOM 736 CG ASP A 68 14.480 -13.978 11.373 1.00 0.00 C ATOM 737 OD1 ASP A 68 14.573 -12.976 12.092 1.00 0.00 O ATOM 738 OD2 ASP A 68 15.375 -14.847 11.357 1.00 0.00 O ATOM 0 H ASP A 68 10.208 -14.909 10.336 1.00 0.00 H new ATOM 0 HA ASP A 68 12.429 -15.500 11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.513 -14.819 9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.978 -13.200 10.082 1.00 0.00 H new ATOM 743 N SER A 69 11.831 -13.307 13.070 1.00 0.00 N ATOM 744 CA SER A 69 11.256 -12.253 13.795 1.00 0.00 C ATOM 745 C SER A 69 11.716 -10.884 13.251 1.00 0.00 C ATOM 746 O SER A 69 10.964 -9.909 13.293 1.00 0.00 O ATOM 747 CB SER A 69 11.568 -12.418 15.266 1.00 0.00 C ATOM 748 OG SER A 69 11.093 -13.668 15.742 1.00 0.00 O ATOM 0 H SER A 69 12.607 -13.774 13.540 1.00 0.00 H new ATOM 0 HA SER A 69 10.173 -12.284 13.673 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.644 -12.348 15.425 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.109 -11.609 15.833 1.00 0.00 H new ATOM 0 HG SER A 69 11.305 -13.757 16.695 1.00 0.00 H new ATOM 754 N SER A 70 12.915 -10.833 12.681 1.00 0.00 N ATOM 755 CA SER A 70 13.441 -9.589 12.156 1.00 0.00 C ATOM 756 C SER A 70 12.654 -9.191 10.904 1.00 0.00 C ATOM 757 O SER A 70 12.258 -8.042 10.739 1.00 0.00 O ATOM 758 CB SER A 70 14.943 -9.740 11.842 1.00 0.00 C ATOM 759 OG SER A 70 15.552 -8.490 11.529 1.00 0.00 O ATOM 0 H SER A 70 13.534 -11.636 12.573 1.00 0.00 H new ATOM 0 HA SER A 70 13.331 -8.801 12.901 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.449 -10.185 12.698 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.071 -10.425 11.004 1.00 0.00 H new ATOM 0 HG SER A 70 16.503 -8.628 11.338 1.00 0.00 H new ATOM 765 N ARG A 71 12.346 -10.176 10.075 1.00 0.00 N ATOM 766 CA ARG A 71 11.631 -9.928 8.833 1.00 0.00 C ATOM 767 C ARG A 71 10.142 -9.825 9.085 1.00 0.00 C ATOM 768 O ARG A 71 9.380 -9.577 8.180 1.00 0.00 O ATOM 769 CB ARG A 71 12.029 -10.966 7.756 1.00 0.00 C ATOM 770 CG ARG A 71 11.448 -12.352 7.932 1.00 0.00 C ATOM 771 CD ARG A 71 10.125 -12.456 7.220 1.00 0.00 C ATOM 772 NE ARG A 71 10.289 -12.438 5.763 1.00 0.00 N ATOM 773 CZ ARG A 71 9.750 -11.541 4.927 1.00 0.00 C ATOM 774 NH1 ARG A 71 9.201 -10.436 5.390 1.00 0.00 N ATOM 775 NH2 ARG A 71 9.830 -11.732 3.622 1.00 0.00 N ATOM 0 H ARG A 71 12.580 -11.155 10.240 1.00 0.00 H new ATOM 0 HA ARG A 71 11.925 -8.960 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.724 -10.586 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.116 -11.047 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.140 -13.097 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.316 -12.567 8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.623 -13.376 7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.482 -11.630 7.524 1.00 0.00 H new ATOM 0 HE ARG A 71 10.864 -13.173 5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.184 -10.257 6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.793 -9.760 4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.301 -12.559 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.421 -11.052 2.981 1.00 0.00 H new ATOM 789 N HIS A 72 9.744 -10.034 10.323 1.00 0.00 N ATOM 790 CA HIS A 72 8.384 -9.766 10.729 1.00 0.00 C ATOM 791 C HIS A 72 8.273 -8.245 10.925 1.00 0.00 C ATOM 792 O HIS A 72 7.311 -7.610 10.506 1.00 0.00 O ATOM 793 CB HIS A 72 8.029 -10.513 12.043 1.00 0.00 C ATOM 794 CG HIS A 72 6.555 -10.492 12.422 1.00 0.00 C ATOM 795 ND1 HIS A 72 5.913 -11.529 13.057 1.00 0.00 N ATOM 796 CD2 HIS A 72 5.608 -9.534 12.246 1.00 0.00 C ATOM 797 CE1 HIS A 72 4.635 -11.181 13.239 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.400 -9.975 12.763 1.00 0.00 N ATOM 0 H HIS A 72 10.346 -10.390 11.066 1.00 0.00 H new ATOM 0 HA HIS A 72 7.684 -10.119 9.972 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.349 -11.551 11.950 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.604 -10.074 12.858 1.00 0.00 H new ATOM 0 HD1 HIS A 72 6.338 -12.412 13.340 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.771 -8.576 11.775 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.893 -11.806 13.714 1.00 0.00 H new ATOM 806 N SER A 73 9.304 -7.662 11.513 1.00 0.00 N ATOM 807 CA SER A 73 9.354 -6.227 11.745 1.00 0.00 C ATOM 808 C SER A 73 9.848 -5.490 10.475 1.00 0.00 C ATOM 809 O SER A 73 9.928 -4.252 10.402 1.00 0.00 O ATOM 810 CB SER A 73 10.235 -5.938 12.956 1.00 0.00 C ATOM 811 OG SER A 73 9.800 -6.694 14.092 1.00 0.00 O ATOM 0 H SER A 73 10.127 -8.167 11.842 1.00 0.00 H new ATOM 0 HA SER A 73 8.353 -5.854 11.960 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.271 -6.184 12.725 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.204 -4.873 13.188 1.00 0.00 H new ATOM 0 HG SER A 73 10.379 -6.496 14.858 1.00 0.00 H new ATOM 817 N LYS A 74 10.140 -6.260 9.478 1.00 0.00 N ATOM 818 CA LYS A 74 10.523 -5.755 8.201 1.00 0.00 C ATOM 819 C LYS A 74 9.564 -6.309 7.188 1.00 0.00 C ATOM 820 O LYS A 74 9.911 -7.080 6.289 1.00 0.00 O ATOM 821 CB LYS A 74 11.994 -6.046 7.855 1.00 0.00 C ATOM 822 CG LYS A 74 12.518 -5.438 6.533 1.00 0.00 C ATOM 823 CD LYS A 74 12.707 -3.898 6.531 1.00 0.00 C ATOM 824 CE LYS A 74 11.403 -3.080 6.606 1.00 0.00 C ATOM 825 NZ LYS A 74 11.108 -2.547 7.977 1.00 0.00 N ATOM 0 H LYS A 74 10.118 -7.278 9.530 1.00 0.00 H new ATOM 0 HA LYS A 74 10.465 -4.667 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.617 -5.680 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.128 -7.127 7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.474 -5.904 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.826 -5.702 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.339 -3.624 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.244 -3.614 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.466 -2.246 5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.572 -3.706 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.089 -2.630 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.640 -3.094 8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.390 -1.547 8.029 1.00 0.00 H new ATOM 839 N LEU A 75 8.340 -5.987 7.433 1.00 0.00 N ATOM 840 CA LEU A 75 7.260 -6.356 6.616 1.00 0.00 C ATOM 841 C LEU A 75 6.541 -5.145 6.138 1.00 0.00 C ATOM 842 O LEU A 75 5.908 -4.409 6.919 1.00 0.00 O ATOM 843 CB LEU A 75 6.326 -7.287 7.357 1.00 0.00 C ATOM 844 CG LEU A 75 6.664 -8.760 7.272 1.00 0.00 C ATOM 845 CD1 LEU A 75 5.850 -9.551 8.259 1.00 0.00 C ATOM 846 CD2 LEU A 75 6.412 -9.272 5.867 1.00 0.00 C ATOM 0 H LEU A 75 8.064 -5.436 8.246 1.00 0.00 H new ATOM 0 HA LEU A 75 7.644 -6.891 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.311 -6.997 8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.317 -7.142 6.972 1.00 0.00 H new ATOM 0 HG LEU A 75 7.719 -8.884 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.109 -10.607 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.061 -9.200 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.790 -9.421 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.658 -10.333 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.362 -9.131 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.034 -8.721 5.162 1.00 0.00 H new ATOM 858 N GLU A 76 6.714 -4.885 4.899 1.00 0.00 N ATOM 859 CA GLU A 76 6.018 -3.845 4.225 1.00 0.00 C ATOM 860 C GLU A 76 4.638 -4.367 3.920 1.00 0.00 C ATOM 861 O GLU A 76 4.473 -5.571 3.776 1.00 0.00 O ATOM 862 CB GLU A 76 6.757 -3.519 2.937 1.00 0.00 C ATOM 863 CG GLU A 76 8.160 -3.006 3.177 1.00 0.00 C ATOM 864 CD GLU A 76 8.192 -1.562 3.578 1.00 0.00 C ATOM 865 OE1 GLU A 76 7.775 -1.227 4.713 1.00 0.00 O ATOM 866 OE2 GLU A 76 8.601 -0.722 2.741 1.00 0.00 O ATOM 0 H GLU A 76 7.361 -5.401 4.303 1.00 0.00 H new ATOM 0 HA GLU A 76 5.955 -2.939 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.804 -4.413 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.193 -2.772 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.632 -3.605 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.750 -3.139 2.270 1.00 0.00 H new ATOM 873 N LYS A 77 3.660 -3.492 3.826 1.00 0.00 N ATOM 874 CA LYS A 77 2.274 -3.896 3.538 1.00 0.00 C ATOM 875 C LYS A 77 2.184 -4.854 2.331 1.00 0.00 C ATOM 876 O LYS A 77 1.527 -5.890 2.385 1.00 0.00 O ATOM 877 CB LYS A 77 1.395 -2.659 3.333 1.00 0.00 C ATOM 878 CG LYS A 77 0.020 -2.980 2.784 1.00 0.00 C ATOM 879 CD LYS A 77 -0.940 -1.791 2.832 1.00 0.00 C ATOM 880 CE LYS A 77 -1.342 -1.410 4.253 1.00 0.00 C ATOM 881 NZ LYS A 77 -2.305 -0.286 4.268 1.00 0.00 N ATOM 0 H LYS A 77 3.787 -2.487 3.943 1.00 0.00 H new ATOM 0 HA LYS A 77 1.904 -4.449 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.285 -2.139 4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.899 -1.974 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.118 -3.319 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.407 -3.807 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.472 -0.933 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.835 -2.030 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.783 -2.274 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.453 -1.135 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.555 -0.056 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.875 0.546 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.163 -0.557 3.747 1.00 0.00 H new ATOM 895 N ALA A 78 2.904 -4.514 1.300 1.00 0.00 N ATOM 896 CA ALA A 78 2.975 -5.292 0.067 1.00 0.00 C ATOM 897 C ALA A 78 3.612 -6.665 0.286 1.00 0.00 C ATOM 898 O ALA A 78 3.280 -7.635 -0.389 1.00 0.00 O ATOM 899 CB ALA A 78 3.799 -4.528 -0.931 1.00 0.00 C ATOM 0 H ALA A 78 3.477 -3.670 1.280 1.00 0.00 H new ATOM 0 HA ALA A 78 1.958 -5.451 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.863 -5.095 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.331 -3.563 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.801 -4.371 -0.532 1.00 0.00 H new ATOM 905 N ASP A 79 4.487 -6.734 1.266 1.00 0.00 N ATOM 906 CA ASP A 79 5.284 -7.942 1.537 1.00 0.00 C ATOM 907 C ASP A 79 4.433 -8.921 2.278 1.00 0.00 C ATOM 908 O ASP A 79 4.489 -10.118 2.059 1.00 0.00 O ATOM 909 CB ASP A 79 6.526 -7.564 2.363 1.00 0.00 C ATOM 910 CG ASP A 79 7.634 -8.630 2.382 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.921 -9.237 1.322 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.333 -8.777 3.420 1.00 0.00 O ATOM 0 H ASP A 79 4.676 -5.962 1.905 1.00 0.00 H new ATOM 0 HA ASP A 79 5.618 -8.394 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.940 -6.636 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.216 -7.363 3.389 1.00 0.00 H new ATOM 917 N ILE A 80 3.589 -8.373 3.105 1.00 0.00 N ATOM 918 CA ILE A 80 2.685 -9.131 3.927 1.00 0.00 C ATOM 919 C ILE A 80 1.568 -9.724 3.075 1.00 0.00 C ATOM 920 O ILE A 80 1.321 -10.927 3.130 1.00 0.00 O ATOM 921 CB ILE A 80 2.086 -8.221 5.018 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.209 -7.560 5.795 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.218 -9.029 5.956 1.00 0.00 C ATOM 924 CD1 ILE A 80 2.787 -6.401 6.661 1.00 0.00 C ATOM 0 H ILE A 80 3.507 -7.364 3.230 1.00 0.00 H new ATOM 0 HA ILE A 80 3.235 -9.945 4.399 1.00 0.00 H new ATOM 0 HB ILE A 80 1.470 -7.456 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.685 -8.311 6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.963 -7.211 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.802 -8.374 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.407 -9.491 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.819 -9.805 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.658 -5.995 7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.339 -5.626 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.058 -6.742 7.396 1.00 0.00 H new ATOM 936 N LEU A 81 0.923 -8.883 2.258 1.00 0.00 N ATOM 937 CA LEU A 81 -0.197 -9.338 1.420 1.00 0.00 C ATOM 938 C LEU A 81 0.254 -10.474 0.521 1.00 0.00 C ATOM 939 O LEU A 81 -0.317 -11.567 0.542 1.00 0.00 O ATOM 940 CB LEU A 81 -0.744 -8.214 0.532 1.00 0.00 C ATOM 941 CG LEU A 81 -1.238 -6.930 1.199 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.788 -5.987 0.138 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.295 -7.224 2.260 1.00 0.00 C ATOM 0 H LEU A 81 1.152 -7.894 2.158 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.986 -9.668 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.039 -7.940 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.570 -8.624 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.397 -6.455 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.140 -5.071 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.002 -5.746 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.616 -6.468 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.624 -6.289 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.147 -7.722 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.870 -7.870 3.028 1.00 0.00 H new ATOM 955 N GLU A 82 1.331 -10.225 -0.204 1.00 0.00 N ATOM 956 CA GLU A 82 1.899 -11.175 -1.132 1.00 0.00 C ATOM 957 C GLU A 82 2.335 -12.460 -0.447 1.00 0.00 C ATOM 958 O GLU A 82 2.132 -13.530 -0.984 1.00 0.00 O ATOM 959 CB GLU A 82 3.041 -10.508 -1.911 1.00 0.00 C ATOM 960 CG GLU A 82 3.960 -11.399 -2.674 1.00 0.00 C ATOM 961 CD GLU A 82 5.044 -10.609 -3.371 1.00 0.00 C ATOM 962 OE1 GLU A 82 4.771 -9.969 -4.407 1.00 0.00 O ATOM 963 OE2 GLU A 82 6.197 -10.606 -2.897 1.00 0.00 O ATOM 0 H GLU A 82 1.840 -9.342 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 82 1.127 -11.474 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.602 -9.798 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.639 -9.932 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.414 -12.122 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.391 -11.966 -3.410 1.00 0.00 H new ATOM 970 N MET A 83 2.832 -12.362 0.768 1.00 0.00 N ATOM 971 CA MET A 83 3.332 -13.532 1.463 1.00 0.00 C ATOM 972 C MET A 83 2.174 -14.452 1.824 1.00 0.00 C ATOM 973 O MET A 83 2.284 -15.674 1.781 1.00 0.00 O ATOM 974 CB MET A 83 4.125 -13.133 2.709 1.00 0.00 C ATOM 975 CG MET A 83 4.773 -14.280 3.506 1.00 0.00 C ATOM 976 SD MET A 83 6.204 -15.106 2.724 1.00 0.00 S ATOM 977 CE MET A 83 5.476 -16.080 1.394 1.00 0.00 C ATOM 0 H MET A 83 2.901 -11.490 1.293 1.00 0.00 H new ATOM 0 HA MET A 83 4.012 -14.068 0.801 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.911 -12.441 2.406 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.459 -12.587 3.377 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.091 -13.888 4.472 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.010 -15.033 3.703 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.073 -16.977 1.231 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.460 -16.365 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.454 -15.488 0.479 1.00 0.00 H new ATOM 987 N THR A 84 1.062 -13.844 2.107 1.00 0.00 N ATOM 988 CA THR A 84 -0.143 -14.535 2.465 1.00 0.00 C ATOM 989 C THR A 84 -0.740 -15.228 1.214 1.00 0.00 C ATOM 990 O THR A 84 -1.132 -16.401 1.265 1.00 0.00 O ATOM 991 CB THR A 84 -1.122 -13.509 3.069 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.385 -12.738 4.018 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.265 -14.178 3.820 1.00 0.00 C ATOM 0 H THR A 84 0.963 -12.829 2.096 1.00 0.00 H new ATOM 0 HA THR A 84 0.057 -15.312 3.203 1.00 0.00 H new ATOM 0 HB THR A 84 -1.545 -12.913 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.010 -11.947 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.928 -13.415 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.824 -14.818 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.862 -14.781 4.634 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.729 -14.521 0.084 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.247 -15.062 -1.174 1.00 0.00 C ATOM 1003 C VAL A 85 -0.336 -16.190 -1.672 1.00 0.00 C ATOM 1004 O VAL A 85 -0.794 -17.255 -2.096 1.00 0.00 O ATOM 1005 CB VAL A 85 -1.326 -13.981 -2.277 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -2.009 -14.498 -3.538 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -2.010 -12.746 -1.786 1.00 0.00 C ATOM 0 H VAL A 85 -0.366 -13.570 0.013 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.252 -15.435 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.298 -13.726 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.042 -13.705 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.450 -15.346 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.025 -14.813 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.048 -12.008 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.024 -12.992 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.458 -12.336 -0.941 1.00 0.00 H new ATOM 1017 N LYS A 86 0.957 -15.970 -1.596 1.00 0.00 N ATOM 1018 CA LYS A 86 1.900 -16.953 -2.059 1.00 0.00 C ATOM 1019 C LYS A 86 1.869 -18.205 -1.189 1.00 0.00 C ATOM 1020 O LYS A 86 2.066 -19.325 -1.681 1.00 0.00 O ATOM 1021 CB LYS A 86 3.312 -16.373 -2.206 1.00 0.00 C ATOM 1022 CG LYS A 86 3.379 -15.183 -3.168 1.00 0.00 C ATOM 1023 CD LYS A 86 4.781 -14.946 -3.672 1.00 0.00 C ATOM 1024 CE LYS A 86 4.780 -14.027 -4.879 1.00 0.00 C ATOM 1025 NZ LYS A 86 6.109 -13.915 -5.493 1.00 0.00 N ATOM 0 H LYS A 86 1.375 -15.120 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 86 1.592 -17.255 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.673 -16.060 -1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.984 -17.155 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.715 -15.362 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.018 -14.287 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.387 -14.508 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.241 -15.898 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.071 -14.401 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.436 -13.037 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.060 -13.278 -6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.782 -13.533 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.428 -14.855 -5.804 1.00 0.00 H new ATOM 1039 N HIS A 87 1.549 -18.028 0.083 1.00 0.00 N ATOM 1040 CA HIS A 87 1.431 -19.150 0.981 1.00 0.00 C ATOM 1041 C HIS A 87 0.166 -19.951 0.665 1.00 0.00 C ATOM 1042 O HIS A 87 0.144 -21.168 0.857 1.00 0.00 O ATOM 1043 CB HIS A 87 1.462 -18.711 2.458 1.00 0.00 C ATOM 1044 CG HIS A 87 1.493 -19.859 3.442 1.00 0.00 C ATOM 1045 ND1 HIS A 87 2.242 -20.992 3.438 1.00 0.00 N flip ATOM 1046 CD2 HIS A 87 0.746 -19.912 4.596 1.00 0.00 C flip ATOM 1047 CE1 HIS A 87 1.961 -21.731 4.576 1.00 0.00 C flip ATOM 1048 NE2 HIS A 87 1.060 -21.040 5.237 1.00 0.00 N flip ATOM 0 H HIS A 87 1.368 -17.119 0.509 1.00 0.00 H new ATOM 0 HA HIS A 87 2.297 -19.794 0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.338 -18.083 2.621 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.586 -18.095 2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.032 -19.172 4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.393 -22.679 4.861 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.652 -21.329 6.126 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.879 -19.285 0.145 1.00 0.00 N ATOM 1057 CA LEU A 88 -2.087 -20.017 -0.203 1.00 0.00 C ATOM 1058 C LEU A 88 -1.791 -20.952 -1.360 1.00 0.00 C ATOM 1059 O LEU A 88 -2.292 -22.043 -1.389 1.00 0.00 O ATOM 1060 CB LEU A 88 -3.356 -19.108 -0.434 1.00 0.00 C ATOM 1061 CG LEU A 88 -3.486 -18.275 -1.735 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -3.939 -19.125 -2.929 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.429 -17.105 -1.526 1.00 0.00 C ATOM 0 H LEU A 88 -0.906 -18.281 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.373 -20.615 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.232 -19.753 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.413 -18.413 0.403 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.493 -17.893 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.015 -18.496 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.213 -19.918 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.912 -19.566 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.508 -16.532 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.414 -17.477 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.043 -16.464 -0.733 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.913 -20.518 -2.298 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.473 -21.412 -3.391 1.00 0.00 C ATOM 1077 C ARG A 89 0.179 -22.645 -2.813 1.00 0.00 C ATOM 1078 O ARG A 89 -0.166 -23.760 -3.182 1.00 0.00 O ATOM 1079 CB ARG A 89 0.521 -20.764 -4.385 1.00 0.00 C ATOM 1080 CG ARG A 89 -0.074 -19.884 -5.480 1.00 0.00 C ATOM 1081 CD ARG A 89 -0.651 -18.598 -4.953 1.00 0.00 C ATOM 1082 NE ARG A 89 -1.118 -17.723 -6.036 1.00 0.00 N ATOM 1083 CZ ARG A 89 -0.675 -16.470 -6.242 1.00 0.00 C ATOM 1084 NH1 ARG A 89 0.425 -16.043 -5.618 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -1.270 -15.693 -7.135 1.00 0.00 N ATOM 0 H ARG A 89 -0.507 -19.582 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.377 -21.652 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.229 -20.163 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.091 -21.561 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.698 -19.655 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.854 -20.439 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.481 -18.820 -4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.103 -18.076 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.825 -18.090 -6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.928 -16.667 -4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.763 -15.093 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.066 -16.045 -7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.933 -14.743 -7.290 1.00 0.00 H new ATOM 1099 N ASN A 90 1.083 -22.423 -1.863 1.00 0.00 N ATOM 1100 CA ASN A 90 1.826 -23.495 -1.195 1.00 0.00 C ATOM 1101 C ASN A 90 0.867 -24.489 -0.576 1.00 0.00 C ATOM 1102 O ASN A 90 0.934 -25.683 -0.849 1.00 0.00 O ATOM 1103 CB ASN A 90 2.752 -22.946 -0.089 1.00 0.00 C ATOM 1104 CG ASN A 90 3.831 -21.988 -0.582 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.294 -21.114 0.285 1.00 0.00 O flip ATOM 1106 ND2 ASN A 90 4.279 -22.066 -1.725 1.00 0.00 N flip ATOM 0 H ASN A 90 1.324 -21.489 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 90 2.438 -23.983 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.143 -22.434 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.232 -23.785 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.900 -22.754 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.030 -21.443 -2.022 1.00 0.00 H new ATOM 1113 N LEU A 91 -0.060 -23.981 0.210 1.00 0.00 N ATOM 1114 CA LEU A 91 -1.035 -24.815 0.886 1.00 0.00 C ATOM 1115 C LEU A 91 -2.051 -25.407 -0.059 1.00 0.00 C ATOM 1116 O LEU A 91 -2.674 -26.372 0.274 1.00 0.00 O ATOM 1117 CB LEU A 91 -1.733 -24.047 1.975 1.00 0.00 C ATOM 1118 CG LEU A 91 -0.878 -23.544 3.121 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -1.728 -22.705 4.031 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.266 -24.705 3.893 1.00 0.00 C ATOM 0 H LEU A 91 -0.160 -22.983 0.398 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.479 -25.643 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.228 -23.189 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.515 -24.683 2.390 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.061 -22.943 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.122 -22.338 4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.132 -21.859 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.548 -23.308 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.343 -24.318 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.061 -25.332 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.358 -25.298 3.224 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.231 -24.821 -1.211 1.00 0.00 N ATOM 1133 CA GLN A 92 -3.109 -25.381 -2.210 1.00 0.00 C ATOM 1134 C GLN A 92 -2.456 -26.577 -2.895 1.00 0.00 C ATOM 1135 O GLN A 92 -3.085 -27.614 -3.087 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.544 -24.319 -3.233 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.671 -23.422 -2.769 1.00 0.00 C ATOM 1138 CD GLN A 92 -5.977 -24.170 -2.688 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.209 -25.135 -3.418 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -6.848 -23.732 -1.862 1.00 0.00 N ATOM 0 H GLN A 92 -1.779 -23.949 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.009 -25.733 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.683 -23.699 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.851 -24.821 -4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.427 -23.007 -1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.774 -22.582 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.631 -22.931 -1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.760 -24.183 -1.796 1.00 0.00 H new ATOM 1149 N ARG A 93 -1.174 -26.466 -3.171 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.441 -27.509 -3.906 1.00 0.00 C ATOM 1151 C ARG A 93 0.162 -28.556 -2.967 1.00 0.00 C ATOM 1152 O ARG A 93 0.862 -29.467 -3.400 1.00 0.00 O ATOM 1153 CB ARG A 93 0.628 -26.874 -4.835 1.00 0.00 C ATOM 1154 CG ARG A 93 1.684 -26.023 -4.127 1.00 0.00 C ATOM 1155 CD ARG A 93 2.860 -26.839 -3.598 1.00 0.00 C ATOM 1156 NE ARG A 93 3.678 -27.402 -4.686 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.189 -28.646 -4.714 1.00 0.00 C ATOM 1158 NH1 ARG A 93 3.952 -29.489 -3.717 1.00 0.00 N ATOM 1159 NH2 ARG A 93 4.948 -29.031 -5.741 1.00 0.00 N ATOM 0 H ARG A 93 -0.604 -25.665 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.156 -28.039 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.133 -27.672 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.121 -26.254 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.057 -25.268 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.217 -25.492 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.484 -26.207 -2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.486 -27.648 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 93 3.873 -26.798 -5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.380 -29.195 -2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.341 -30.431 -3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.141 -28.382 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.336 -29.974 -5.763 1.00 0.00 H new ATOM 1173 N ALA A 94 -0.168 -28.457 -1.696 1.00 0.00 N ATOM 1174 CA ALA A 94 0.366 -29.360 -0.677 1.00 0.00 C ATOM 1175 C ALA A 94 -0.329 -30.716 -0.725 1.00 0.00 C ATOM 1176 O ALA A 94 0.065 -31.661 -0.031 1.00 0.00 O ATOM 1177 CB ALA A 94 0.222 -28.737 0.701 1.00 0.00 C ATOM 0 H ALA A 94 -0.811 -27.753 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 94 1.424 -29.520 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.623 -29.418 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.771 -27.796 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.832 -28.549 0.907 1.00 0.00 H new ATOM 1485 N GLU B 43 8.388 3.751 -2.554 1.00 0.00 N ATOM 1486 CA GLU B 43 7.111 3.519 -1.932 1.00 0.00 C ATOM 1487 C GLU B 43 6.033 3.322 -2.998 1.00 0.00 C ATOM 1488 O GLU B 43 5.045 2.658 -2.762 1.00 0.00 O ATOM 1489 CB GLU B 43 6.712 4.618 -0.953 1.00 0.00 C ATOM 1490 CG GLU B 43 6.410 5.948 -1.592 1.00 0.00 C ATOM 1491 CD GLU B 43 5.524 6.787 -0.732 1.00 0.00 C ATOM 1492 OE1 GLU B 43 6.015 7.426 0.209 1.00 0.00 O ATOM 1493 OE2 GLU B 43 4.296 6.804 -0.975 1.00 0.00 O ATOM 0 HA GLU B 43 7.207 2.608 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU B 43 5.834 4.289 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU B 43 7.516 4.752 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU B 43 7.342 6.480 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU B 43 5.932 5.787 -2.558 1.00 0.00 H new ATOM 1500 N LYS B 44 6.253 3.895 -4.183 1.00 0.00 N ATOM 1501 CA LYS B 44 5.349 3.722 -5.307 1.00 0.00 C ATOM 1502 C LYS B 44 5.377 2.275 -5.766 1.00 0.00 C ATOM 1503 O LYS B 44 4.338 1.692 -6.097 1.00 0.00 O ATOM 1504 CB LYS B 44 5.743 4.647 -6.443 1.00 0.00 C ATOM 1505 CG LYS B 44 4.828 4.570 -7.641 1.00 0.00 C ATOM 1506 CD LYS B 44 5.141 5.650 -8.642 1.00 0.00 C ATOM 1507 CE LYS B 44 6.539 5.516 -9.239 1.00 0.00 C ATOM 1508 NZ LYS B 44 6.806 6.563 -10.244 1.00 0.00 N ATOM 0 H LYS B 44 7.059 4.487 -4.383 1.00 0.00 H new ATOM 0 HA LYS B 44 4.336 3.974 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS B 44 5.757 5.673 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS B 44 6.759 4.407 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS B 44 4.927 3.593 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS B 44 3.792 4.663 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS B 44 4.404 5.620 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS B 44 5.048 6.623 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS B 44 7.282 5.577 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS B 44 6.645 4.534 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 7.765 6.440 -10.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 6.112 6.489 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 6.729 7.500 -9.798 1.00 0.00 H new ATOM 1522 N ARG B 45 6.572 1.698 -5.744 1.00 0.00 N ATOM 1523 CA ARG B 45 6.782 0.292 -6.078 1.00 0.00 C ATOM 1524 C ARG B 45 6.108 -0.574 -5.042 1.00 0.00 C ATOM 1525 O ARG B 45 5.477 -1.584 -5.373 1.00 0.00 O ATOM 1526 CB ARG B 45 8.270 -0.010 -6.142 1.00 0.00 C ATOM 1527 CG ARG B 45 8.966 0.684 -7.285 1.00 0.00 C ATOM 1528 CD ARG B 45 10.469 0.662 -7.123 1.00 0.00 C ATOM 1529 NE ARG B 45 11.033 -0.698 -7.044 1.00 0.00 N ATOM 1530 CZ ARG B 45 12.227 -1.046 -7.531 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.873 -0.230 -8.356 1.00 0.00 N ATOM 1532 NH2 ARG B 45 12.733 -2.242 -7.261 1.00 0.00 N ATOM 0 H ARG B 45 7.428 2.193 -5.493 1.00 0.00 H new ATOM 0 HA ARG B 45 6.347 0.079 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.736 0.291 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG B 45 8.412 -1.086 -6.238 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.694 0.201 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG B 45 8.622 1.716 -7.347 1.00 0.00 H new ATOM 0 HD2 ARG B 45 10.925 1.187 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG B 45 10.737 1.211 -6.220 1.00 0.00 H new ATOM 0 HE ARG B 45 10.475 -1.420 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG B 45 12.457 0.664 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG B 45 13.785 -0.497 -8.727 1.00 0.00 H new ATOM 0 HH21 ARG B 45 12.210 -2.898 -6.681 1.00 0.00 H new ATOM 0 HH22 ARG B 45 13.645 -2.506 -7.634 1.00 0.00 H new ATOM 1546 N ARG B 46 6.230 -0.165 -3.777 1.00 0.00 N ATOM 1547 CA ARG B 46 5.531 -0.827 -2.698 1.00 0.00 C ATOM 1548 C ARG B 46 4.038 -0.794 -2.984 1.00 0.00 C ATOM 1549 O ARG B 46 3.401 -1.819 -2.981 1.00 0.00 O ATOM 1550 CB ARG B 46 5.776 -0.152 -1.347 1.00 0.00 C ATOM 1551 CG ARG B 46 5.046 -0.863 -0.207 1.00 0.00 C ATOM 1552 CD ARG B 46 4.871 0.023 1.008 1.00 0.00 C ATOM 1553 NE ARG B 46 6.127 0.392 1.631 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.377 1.559 2.213 1.00 0.00 C ATOM 1555 NH1 ARG B 46 5.451 2.526 2.249 1.00 0.00 N ATOM 1556 NH2 ARG B 46 7.536 1.725 2.787 1.00 0.00 N ATOM 0 H ARG B 46 6.809 0.623 -3.485 1.00 0.00 H new ATOM 0 HA ARG B 46 5.907 -1.849 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.846 -0.138 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG B 46 5.447 0.886 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG B 46 4.068 -1.194 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.602 -1.757 0.076 1.00 0.00 H new ATOM 0 HD2 ARG B 46 4.338 0.928 0.716 1.00 0.00 H new ATOM 0 HD3 ARG B 46 4.248 -0.492 1.739 1.00 0.00 H new ATOM 0 HE ARG B 46 6.877 -0.299 1.621 1.00 0.00 H new ATOM 0 HH11 ARG B 46 4.536 2.372 1.825 1.00 0.00 H new ATOM 0 HH12 ARG B 46 5.661 3.416 2.700 1.00 0.00 H new ATOM 0 HH21 ARG B 46 8.221 0.969 2.781 1.00 0.00 H new ATOM 0 HH22 ARG B 46 7.757 2.610 3.242 1.00 0.00 H new ATOM 1570 N ARG B 47 3.504 0.409 -3.250 1.00 0.00 N ATOM 1571 CA ARG B 47 2.075 0.607 -3.537 1.00 0.00 C ATOM 1572 C ARG B 47 1.605 -0.281 -4.654 1.00 0.00 C ATOM 1573 O ARG B 47 0.568 -0.920 -4.534 1.00 0.00 O ATOM 1574 CB ARG B 47 1.733 2.056 -3.877 1.00 0.00 C ATOM 1575 CG ARG B 47 2.025 3.073 -2.798 1.00 0.00 C ATOM 1576 CD ARG B 47 1.497 4.434 -3.210 1.00 0.00 C ATOM 1577 NE ARG B 47 1.928 5.509 -2.300 1.00 0.00 N ATOM 1578 CZ ARG B 47 1.179 6.556 -1.914 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -0.104 6.657 -2.280 1.00 0.00 N ATOM 1580 NH2 ARG B 47 1.721 7.498 -1.151 1.00 0.00 N ATOM 0 H ARG B 47 4.050 1.270 -3.272 1.00 0.00 H new ATOM 0 HA ARG B 47 1.556 0.341 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG B 47 2.284 2.338 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG B 47 0.673 2.111 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG B 47 1.563 2.763 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG B 47 3.099 3.129 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG B 47 1.837 4.661 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG B 47 0.408 4.403 -3.240 1.00 0.00 H new ATOM 0 HE ARG B 47 2.877 5.454 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -0.527 5.933 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -0.659 7.458 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG B 47 2.697 7.423 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG B 47 1.162 8.297 -0.852 1.00 0.00 H new ATOM 1594 N ALA B 48 2.374 -0.334 -5.725 1.00 0.00 N ATOM 1595 CA ALA B 48 2.052 -1.163 -6.863 1.00 0.00 C ATOM 1596 C ALA B 48 1.890 -2.593 -6.407 1.00 0.00 C ATOM 1597 O ALA B 48 0.836 -3.191 -6.591 1.00 0.00 O ATOM 1598 CB ALA B 48 3.150 -1.061 -7.912 1.00 0.00 C ATOM 0 H ALA B 48 3.239 0.198 -5.827 1.00 0.00 H new ATOM 0 HA ALA B 48 1.118 -0.821 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.897 -1.690 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.245 -0.026 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.095 -1.394 -7.483 1.00 0.00 H new ATOM 1604 N ARG B 49 2.889 -3.067 -5.685 1.00 0.00 N ATOM 1605 CA ARG B 49 2.930 -4.420 -5.192 1.00 0.00 C ATOM 1606 C ARG B 49 1.762 -4.679 -4.209 1.00 0.00 C ATOM 1607 O ARG B 49 1.210 -5.766 -4.190 1.00 0.00 O ATOM 1608 CB ARG B 49 4.293 -4.667 -4.542 1.00 0.00 C ATOM 1609 CG ARG B 49 4.560 -6.080 -4.057 1.00 0.00 C ATOM 1610 CD ARG B 49 5.924 -6.142 -3.392 1.00 0.00 C ATOM 1611 NE ARG B 49 6.193 -7.429 -2.758 1.00 0.00 N ATOM 1612 CZ ARG B 49 6.928 -7.597 -1.644 1.00 0.00 C ATOM 1613 NH1 ARG B 49 7.478 -6.539 -1.019 1.00 0.00 N ATOM 1614 NH2 ARG B 49 7.112 -8.817 -1.168 1.00 0.00 N ATOM 0 H ARG B 49 3.703 -2.510 -5.424 1.00 0.00 H new ATOM 0 HA ARG B 49 2.806 -5.122 -6.017 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.068 -4.400 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.396 -3.989 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG B 49 3.787 -6.385 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.521 -6.776 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG B 49 6.694 -5.942 -4.137 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.993 -5.353 -2.643 1.00 0.00 H new ATOM 0 HE ARG B 49 5.794 -8.262 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG B 49 7.339 -5.599 -1.390 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.034 -6.678 -0.175 1.00 0.00 H new ATOM 0 HH21 ARG B 49 6.698 -9.618 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.667 -8.957 -0.324 1.00 0.00 H new ATOM 1628 N ILE B 50 1.388 -3.658 -3.413 1.00 0.00 N ATOM 1629 CA ILE B 50 0.240 -3.733 -2.491 1.00 0.00 C ATOM 1630 C ILE B 50 -1.036 -3.974 -3.275 1.00 0.00 C ATOM 1631 O ILE B 50 -1.770 -4.926 -3.014 1.00 0.00 O ATOM 1632 CB ILE B 50 0.056 -2.406 -1.687 1.00 0.00 C ATOM 1633 CG1 ILE B 50 1.287 -2.113 -0.848 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.191 -2.463 -0.800 1.00 0.00 C ATOM 1635 CD1 ILE B 50 1.254 -0.786 -0.145 1.00 0.00 C ATOM 0 H ILE B 50 1.873 -2.761 -3.392 1.00 0.00 H new ATOM 0 HA ILE B 50 0.439 -4.551 -1.799 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.077 -1.598 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.402 -2.902 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.167 -2.149 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.292 -1.525 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.073 -2.617 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.097 -3.287 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.170 -0.657 0.431 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.172 0.014 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.396 -0.751 0.526 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.275 -3.122 -4.260 1.00 0.00 N ATOM 1648 CA ASN B 51 -2.488 -3.209 -5.059 1.00 0.00 C ATOM 1649 C ASN B 51 -2.547 -4.532 -5.769 1.00 0.00 C ATOM 1650 O ASN B 51 -3.574 -5.216 -5.731 1.00 0.00 O ATOM 1651 CB ASN B 51 -2.629 -2.058 -6.079 1.00 0.00 C ATOM 1652 CG ASN B 51 -2.870 -0.691 -5.457 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -4.007 -0.300 -5.200 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -1.825 0.051 -5.231 1.00 0.00 N ATOM 0 H ASN B 51 -0.646 -2.364 -4.525 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.324 -3.119 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -1.724 -2.013 -6.685 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -3.454 -2.287 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -1.938 0.982 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -0.893 -0.299 -5.454 1.00 0.00 H new ATOM 1661 N GLU B 52 -1.425 -4.909 -6.360 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.304 -6.168 -7.090 1.00 0.00 C ATOM 1663 C GLU B 52 -1.570 -7.376 -6.201 1.00 0.00 C ATOM 1664 O GLU B 52 -2.268 -8.310 -6.612 1.00 0.00 O ATOM 1665 CB GLU B 52 0.075 -6.338 -7.717 1.00 0.00 C ATOM 1666 CG GLU B 52 0.475 -5.263 -8.697 1.00 0.00 C ATOM 1667 CD GLU B 52 1.764 -5.600 -9.382 1.00 0.00 C ATOM 1668 OE1 GLU B 52 2.840 -5.518 -8.750 1.00 0.00 O ATOM 1669 OE2 GLU B 52 1.726 -5.998 -10.564 1.00 0.00 O ATOM 0 H GLU B 52 -0.570 -4.353 -6.349 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.059 -6.118 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.817 -6.373 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU B 52 0.108 -7.301 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.312 -5.136 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.577 -4.312 -8.175 1.00 0.00 H new ATOM 1676 N SER B 53 -1.035 -7.367 -4.990 1.00 0.00 N ATOM 1677 CA SER B 53 -1.158 -8.503 -4.139 1.00 0.00 C ATOM 1678 C SER B 53 -2.551 -8.608 -3.561 1.00 0.00 C ATOM 1679 O SER B 53 -3.122 -9.671 -3.573 1.00 0.00 O ATOM 1680 CB SER B 53 -0.068 -8.515 -3.071 1.00 0.00 C ATOM 1681 OG SER B 53 0.016 -7.268 -2.415 1.00 0.00 O ATOM 0 H SER B 53 -0.518 -6.583 -4.591 1.00 0.00 H new ATOM 0 HA SER B 53 -1.008 -9.398 -4.742 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.277 -9.299 -2.343 1.00 0.00 H new ATOM 0 HB3 SER B 53 0.892 -8.753 -3.529 1.00 0.00 H new ATOM 0 HG SER B 53 0.567 -6.655 -2.946 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.111 -7.481 -3.123 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.458 -7.441 -2.563 1.00 0.00 C ATOM 1689 C LEU B 54 -5.474 -7.869 -3.641 1.00 0.00 C ATOM 1690 O LEU B 54 -6.438 -8.601 -3.357 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.760 -6.010 -2.068 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.725 -5.859 -0.871 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.790 -4.412 -0.430 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -7.128 -6.365 -1.177 1.00 0.00 C ATOM 0 H LEU B 54 -2.645 -6.574 -3.147 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.534 -8.128 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.814 -5.540 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.170 -5.444 -2.904 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.326 -6.477 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.473 -4.319 0.414 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.797 -4.078 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.147 -3.796 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.762 -6.234 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.544 -5.802 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -7.085 -7.422 -1.438 1.00 0.00 H new ATOM 1706 N SER B 55 -5.228 -7.436 -4.872 1.00 0.00 N ATOM 1707 CA SER B 55 -6.076 -7.762 -5.992 1.00 0.00 C ATOM 1708 C SER B 55 -6.140 -9.276 -6.191 1.00 0.00 C ATOM 1709 O SER B 55 -7.218 -9.877 -6.119 1.00 0.00 O ATOM 1710 CB SER B 55 -5.568 -7.056 -7.268 1.00 0.00 C ATOM 1711 OG SER B 55 -6.354 -7.375 -8.404 1.00 0.00 O ATOM 0 H SER B 55 -4.430 -6.848 -5.113 1.00 0.00 H new ATOM 0 HA SER B 55 -7.086 -7.407 -5.784 1.00 0.00 H new ATOM 0 HB2 SER B 55 -5.577 -5.977 -7.113 1.00 0.00 H new ATOM 0 HB3 SER B 55 -4.533 -7.342 -7.452 1.00 0.00 H new ATOM 0 HG SER B 55 -6.000 -6.907 -9.189 1.00 0.00 H new ATOM 1717 N GLN B 56 -4.997 -9.899 -6.372 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.962 -11.327 -6.616 1.00 0.00 C ATOM 1719 C GLN B 56 -5.329 -12.113 -5.362 1.00 0.00 C ATOM 1720 O GLN B 56 -5.831 -13.212 -5.458 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.612 -11.757 -7.182 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.446 -11.525 -6.259 1.00 0.00 C ATOM 1723 CD GLN B 56 -1.133 -11.778 -6.933 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.620 -12.897 -6.936 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.576 -10.751 -7.497 1.00 0.00 N ATOM 0 H GLN B 56 -4.084 -9.445 -6.355 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.716 -11.556 -7.369 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.657 -12.817 -7.430 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -3.435 -11.219 -8.113 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.473 -10.499 -5.893 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.538 -12.176 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -1.037 -9.842 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.323 -10.853 -7.967 1.00 0.00 H new ATOM 1734 N LEU B 57 -5.105 -11.516 -4.209 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.433 -12.106 -2.923 1.00 0.00 C ATOM 1736 C LEU B 57 -6.923 -12.444 -2.870 1.00 0.00 C ATOM 1737 O LEU B 57 -7.289 -13.610 -2.764 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.980 -11.126 -1.800 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.205 -11.496 -0.339 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.116 -10.866 0.522 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.518 -10.947 0.116 1.00 0.00 C ATOM 0 H LEU B 57 -4.682 -10.591 -4.136 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.904 -13.047 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.912 -10.952 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.482 -10.175 -1.976 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.187 -12.582 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.279 -11.132 1.567 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.141 -11.233 0.202 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.149 -9.782 0.414 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.680 -11.211 1.161 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.514 -9.862 0.012 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.319 -11.367 -0.493 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.767 -11.436 -3.052 1.00 0.00 N ATOM 1754 CA LYS B 58 -9.222 -11.650 -3.039 1.00 0.00 C ATOM 1755 C LYS B 58 -9.646 -12.561 -4.199 1.00 0.00 C ATOM 1756 O LYS B 58 -10.547 -13.380 -4.063 1.00 0.00 O ATOM 1757 CB LYS B 58 -10.003 -10.314 -3.129 1.00 0.00 C ATOM 1758 CG LYS B 58 -9.922 -9.623 -4.482 1.00 0.00 C ATOM 1759 CD LYS B 58 -10.720 -8.343 -4.534 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.739 -7.795 -5.949 1.00 0.00 C ATOM 1761 NZ LYS B 58 -11.506 -8.660 -6.878 1.00 0.00 N ATOM 0 H LYS B 58 -7.481 -10.470 -3.209 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.463 -12.128 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -11.050 -10.504 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.624 -9.635 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -8.879 -9.405 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -10.283 -10.302 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -11.739 -8.527 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -10.286 -7.607 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -11.175 -6.796 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -9.716 -7.695 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -10.850 -9.274 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.172 -9.247 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -12.034 -8.066 -7.549 1.00 0.00 H new ATOM 1775 N THR B 59 -8.955 -12.427 -5.321 1.00 0.00 N ATOM 1776 CA THR B 59 -9.289 -13.149 -6.521 1.00 0.00 C ATOM 1777 C THR B 59 -9.048 -14.654 -6.353 1.00 0.00 C ATOM 1778 O THR B 59 -9.914 -15.465 -6.695 1.00 0.00 O ATOM 1779 CB THR B 59 -8.498 -12.578 -7.721 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.739 -11.158 -7.786 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.976 -13.181 -9.022 1.00 0.00 C ATOM 0 H THR B 59 -8.147 -11.812 -5.416 1.00 0.00 H new ATOM 0 HA THR B 59 -10.353 -13.018 -6.718 1.00 0.00 H new ATOM 0 HB THR B 59 -7.442 -12.808 -7.583 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.167 -10.699 -7.136 1.00 0.00 H new ATOM 0 HG21 THR B 59 -8.403 -12.762 -9.849 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.837 -14.262 -8.995 1.00 0.00 H new ATOM 0 HG23 THR B 59 -10.033 -12.955 -9.161 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.905 -15.017 -5.793 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.581 -16.411 -5.560 1.00 0.00 C ATOM 1791 C LEU B 60 -8.400 -16.978 -4.432 1.00 0.00 C ATOM 1792 O LEU B 60 -8.821 -18.120 -4.496 1.00 0.00 O ATOM 1793 CB LEU B 60 -6.073 -16.644 -5.324 1.00 0.00 C ATOM 1794 CG LEU B 60 -5.178 -16.798 -6.574 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.609 -18.001 -7.393 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -5.173 -15.546 -7.437 1.00 0.00 C ATOM 0 H LEU B 60 -7.185 -14.361 -5.491 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.839 -16.946 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.690 -15.810 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.961 -17.542 -4.716 1.00 0.00 H new ATOM 0 HG LEU B 60 -4.159 -16.953 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -4.967 -18.093 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.527 -18.903 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.643 -17.872 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.530 -15.704 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -6.188 -15.331 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -4.798 -14.704 -6.855 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.657 -16.176 -3.420 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.481 -16.617 -2.313 1.00 0.00 C ATOM 1810 C ILE B 61 -10.899 -16.933 -2.779 1.00 0.00 C ATOM 1811 O ILE B 61 -11.415 -18.027 -2.537 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.491 -15.591 -1.149 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -8.113 -15.530 -0.491 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.558 -15.920 -0.114 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.646 -16.851 0.097 1.00 0.00 C ATOM 0 H ILE B 61 -8.310 -15.220 -3.340 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.037 -17.534 -1.927 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.733 -14.615 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.384 -15.196 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.133 -14.780 0.299 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.532 -15.178 0.684 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.540 -15.909 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.367 -16.909 0.304 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.660 -16.722 0.544 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.351 -17.179 0.861 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.591 -17.601 -0.692 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.497 -16.030 -3.519 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.854 -16.238 -3.978 1.00 0.00 C ATOM 1829 C LEU B 62 -12.885 -17.411 -4.976 1.00 0.00 C ATOM 1830 O LEU B 62 -13.855 -18.119 -5.063 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.419 -14.938 -4.592 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.963 -14.716 -4.561 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.731 -15.705 -5.426 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.482 -14.741 -3.126 1.00 0.00 C ATOM 0 H LEU B 62 -11.072 -15.151 -3.815 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.493 -16.497 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.952 -14.097 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -13.098 -14.895 -5.633 1.00 0.00 H new ATOM 0 HG LEU B 62 -15.140 -13.730 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.798 -15.495 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.407 -15.610 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.539 -16.720 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.561 -14.584 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -15.256 -15.707 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -15.001 -13.950 -2.551 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.778 -17.654 -5.640 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.680 -18.732 -6.634 1.00 0.00 C ATOM 1848 C ASP B 63 -11.450 -20.076 -5.959 1.00 0.00 C ATOM 1849 O ASP B 63 -11.787 -21.113 -6.486 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.510 -18.474 -7.523 1.00 0.00 C ATOM 1851 CG ASP B 63 -10.513 -19.296 -8.797 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -11.070 -18.840 -9.813 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -9.929 -20.392 -8.827 1.00 0.00 O ATOM 0 H ASP B 63 -10.917 -17.121 -5.517 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.613 -18.757 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.492 -17.416 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -9.594 -18.682 -6.970 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.828 -20.053 -4.817 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.545 -21.264 -4.085 1.00 0.00 C ATOM 1860 C ALA B 64 -11.750 -21.688 -3.283 1.00 0.00 C ATOM 1861 O ALA B 64 -12.068 -22.874 -3.200 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.342 -21.070 -3.177 1.00 0.00 C ATOM 0 H ALA B 64 -10.501 -19.200 -4.363 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.311 -22.053 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.144 -21.994 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.471 -20.809 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.547 -20.268 -2.468 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.441 -20.729 -2.728 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.589 -21.048 -1.894 1.00 0.00 C ATOM 1870 C LEU B 65 -14.853 -21.093 -2.710 1.00 0.00 C ATOM 1871 O LEU B 65 -15.704 -21.964 -2.499 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.745 -20.099 -0.675 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.674 -20.205 0.435 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -11.349 -19.674 -0.021 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -13.104 -19.500 1.702 1.00 0.00 C ATOM 0 H LEU B 65 -12.241 -19.734 -2.830 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.402 -22.041 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -13.752 -19.073 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.720 -20.283 -0.224 1.00 0.00 H new ATOM 0 HG LEU B 65 -12.563 -21.267 0.655 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -10.623 -19.766 0.787 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -11.006 -20.245 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -11.453 -18.625 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -12.323 -19.599 2.456 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -13.274 -18.444 1.491 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -14.026 -19.948 2.073 1.00 0.00 H new ATOM 1887 N LYS B 66 -14.943 -20.182 -3.672 1.00 0.00 N ATOM 1888 CA LYS B 66 -16.090 -20.038 -4.555 1.00 0.00 C ATOM 1889 C LYS B 66 -17.377 -19.895 -3.790 1.00 0.00 C ATOM 1890 O LYS B 66 -18.209 -20.811 -3.707 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.113 -21.113 -5.631 1.00 0.00 C ATOM 1892 CG LYS B 66 -15.017 -20.919 -6.682 1.00 0.00 C ATOM 1893 CD LYS B 66 -14.687 -22.203 -7.412 1.00 0.00 C ATOM 1894 CE LYS B 66 -13.999 -23.177 -6.471 1.00 0.00 C ATOM 1895 NZ LYS B 66 -13.495 -24.374 -7.167 1.00 0.00 N ATOM 0 H LYS B 66 -14.202 -19.508 -3.863 1.00 0.00 H new ATOM 0 HA LYS B 66 -15.981 -19.098 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -15.995 -22.091 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -17.086 -21.110 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -15.337 -20.166 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -14.118 -20.537 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.599 -22.650 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -14.041 -21.990 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -13.170 -22.673 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -14.699 -23.481 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -13.035 -25.006 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -14.288 -24.872 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -12.806 -24.090 -7.892 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.451 -18.775 -3.120 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.610 -18.411 -2.341 1.00 0.00 C ATOM 1911 C LYS B 67 -19.663 -17.788 -3.245 1.00 0.00 C ATOM 1912 O LYS B 67 -20.683 -18.408 -3.543 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.238 -17.430 -1.215 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.274 -17.977 -0.168 1.00 0.00 C ATOM 1915 CD LYS B 67 -16.985 -16.922 0.895 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.015 -17.418 1.961 1.00 0.00 C ATOM 1917 NZ LYS B 67 -16.554 -18.547 2.750 1.00 0.00 N ATOM 0 H LYS B 67 -16.703 -18.082 -3.098 1.00 0.00 H new ATOM 0 HA LYS B 67 -19.011 -19.315 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.796 -16.540 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -19.153 -17.114 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.700 -18.865 0.299 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.344 -18.284 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.572 -16.033 0.418 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -17.920 -16.623 1.370 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.085 -17.727 1.483 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.770 -16.596 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -15.897 -18.775 3.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -17.478 -18.283 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -16.667 -19.378 2.135 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.389 -16.577 -3.717 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.322 -15.846 -4.560 1.00 0.00 C ATOM 1933 C ASP B 68 -19.620 -14.651 -5.068 1.00 0.00 C ATOM 1934 O ASP B 68 -18.835 -14.034 -4.338 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.500 -15.354 -3.740 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.731 -15.000 -4.558 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -22.603 -14.538 -5.715 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -23.846 -15.135 -4.040 1.00 0.00 O ATOM 0 H ASP B 68 -18.520 -16.079 -3.527 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.673 -16.497 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -21.769 -16.123 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -21.191 -14.476 -3.173 1.00 0.00 H new ATOM 1943 N SER B 69 -19.902 -14.292 -6.264 1.00 0.00 N ATOM 1944 CA SER B 69 -19.314 -13.142 -6.824 1.00 0.00 C ATOM 1945 C SER B 69 -20.100 -11.887 -6.394 1.00 0.00 C ATOM 1946 O SER B 69 -19.568 -10.786 -6.372 1.00 0.00 O ATOM 1947 CB SER B 69 -19.202 -13.289 -8.326 1.00 0.00 C ATOM 1948 OG SER B 69 -18.430 -14.447 -8.652 1.00 0.00 O ATOM 0 H SER B 69 -20.546 -14.788 -6.879 1.00 0.00 H new ATOM 0 HA SER B 69 -18.298 -13.023 -6.448 1.00 0.00 H new ATOM 0 HB2 SER B 69 -20.196 -13.370 -8.766 1.00 0.00 H new ATOM 0 HB3 SER B 69 -18.736 -12.400 -8.752 1.00 0.00 H new ATOM 0 HG SER B 69 -18.365 -14.533 -9.626 1.00 0.00 H new ATOM 1954 N SER B 70 -21.337 -12.086 -5.965 1.00 0.00 N ATOM 1955 CA SER B 70 -22.171 -10.997 -5.479 1.00 0.00 C ATOM 1956 C SER B 70 -21.579 -10.443 -4.174 1.00 0.00 C ATOM 1957 O SER B 70 -21.621 -9.239 -3.900 1.00 0.00 O ATOM 1958 CB SER B 70 -23.576 -11.524 -5.233 1.00 0.00 C ATOM 1959 OG SER B 70 -24.013 -12.284 -6.355 1.00 0.00 O ATOM 0 H SER B 70 -21.789 -13.000 -5.944 1.00 0.00 H new ATOM 0 HA SER B 70 -22.209 -10.196 -6.218 1.00 0.00 H new ATOM 0 HB2 SER B 70 -23.589 -12.143 -4.336 1.00 0.00 H new ATOM 0 HB3 SER B 70 -24.260 -10.693 -5.057 1.00 0.00 H new ATOM 0 HG SER B 70 -23.697 -13.208 -6.268 1.00 0.00 H new ATOM 1965 N ARG B 71 -20.982 -11.331 -3.399 1.00 0.00 N ATOM 1966 CA ARG B 71 -20.378 -10.951 -2.147 1.00 0.00 C ATOM 1967 C ARG B 71 -18.908 -10.618 -2.357 1.00 0.00 C ATOM 1968 O ARG B 71 -18.245 -10.163 -1.453 1.00 0.00 O ATOM 1969 CB ARG B 71 -20.629 -12.047 -1.071 1.00 0.00 C ATOM 1970 CG ARG B 71 -19.879 -13.360 -1.263 1.00 0.00 C ATOM 1971 CD ARG B 71 -18.541 -13.351 -0.544 1.00 0.00 C ATOM 1972 NE ARG B 71 -18.708 -13.366 0.926 1.00 0.00 N ATOM 1973 CZ ARG B 71 -18.658 -12.300 1.763 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -18.490 -11.068 1.290 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -18.787 -12.493 3.064 1.00 0.00 N ATOM 0 H ARG B 71 -20.906 -12.323 -3.622 1.00 0.00 H new ATOM 0 HA ARG B 71 -20.845 -10.043 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -20.362 -11.639 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -21.697 -12.263 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -20.487 -14.185 -0.891 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -19.720 -13.536 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -17.957 -14.218 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -17.977 -12.466 -0.837 1.00 0.00 H new ATOM 0 HE ARG B 71 -18.879 -14.275 1.356 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -18.397 -10.916 0.286 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -18.454 -10.276 1.932 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -18.922 -13.436 3.429 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -18.751 -11.699 3.703 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.432 -10.858 -3.575 1.00 0.00 N ATOM 1990 CA HIS B 72 -17.064 -10.526 -4.005 1.00 0.00 C ATOM 1991 C HIS B 72 -17.027 -9.041 -4.418 1.00 0.00 C ATOM 1992 O HIS B 72 -16.130 -8.283 -4.030 1.00 0.00 O ATOM 1993 CB HIS B 72 -16.677 -11.440 -5.199 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.247 -11.367 -5.711 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.767 -12.170 -6.733 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -14.194 -10.600 -5.328 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.485 -11.878 -6.928 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -13.080 -10.928 -6.102 1.00 0.00 N ATOM 0 H HIS B 72 -18.990 -11.296 -4.308 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.351 -10.688 -3.196 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -16.877 -12.472 -4.910 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.343 -11.206 -6.030 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -15.306 -12.867 -7.248 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -14.215 -9.854 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.856 -12.355 -7.665 1.00 0.00 H new ATOM 2006 N SER B 73 -18.051 -8.617 -5.143 1.00 0.00 N ATOM 2007 CA SER B 73 -18.166 -7.241 -5.635 1.00 0.00 C ATOM 2008 C SER B 73 -18.540 -6.235 -4.521 1.00 0.00 C ATOM 2009 O SER B 73 -18.726 -5.032 -4.770 1.00 0.00 O ATOM 2010 CB SER B 73 -19.189 -7.197 -6.766 1.00 0.00 C ATOM 2011 OG SER B 73 -18.858 -8.142 -7.774 1.00 0.00 O ATOM 0 H SER B 73 -18.832 -9.216 -5.411 1.00 0.00 H new ATOM 0 HA SER B 73 -17.187 -6.936 -6.004 1.00 0.00 H new ATOM 0 HB2 SER B 73 -20.183 -7.409 -6.373 1.00 0.00 H new ATOM 0 HB3 SER B 73 -19.223 -6.196 -7.195 1.00 0.00 H new ATOM 0 HG SER B 73 -19.040 -9.047 -7.446 1.00 0.00 H new ATOM 2017 N LYS B 74 -18.623 -6.708 -3.314 1.00 0.00 N ATOM 2018 CA LYS B 74 -18.955 -5.858 -2.190 1.00 0.00 C ATOM 2019 C LYS B 74 -17.929 -6.079 -1.085 1.00 0.00 C ATOM 2020 O LYS B 74 -18.105 -5.676 0.075 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.395 -6.126 -1.703 1.00 0.00 C ATOM 2022 CG LYS B 74 -20.952 -5.205 -0.572 1.00 0.00 C ATOM 2023 CD LYS B 74 -21.008 -3.712 -0.950 1.00 0.00 C ATOM 2024 CE LYS B 74 -19.658 -2.991 -0.800 1.00 0.00 C ATOM 2025 NZ LYS B 74 -19.233 -2.865 0.604 1.00 0.00 N ATOM 0 H LYS B 74 -18.465 -7.686 -3.072 1.00 0.00 H new ATOM 0 HA LYS B 74 -18.920 -4.812 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -21.062 -6.046 -2.562 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.447 -7.157 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -21.955 -5.540 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -20.331 -5.321 0.316 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -21.348 -3.619 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -21.748 -3.214 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -18.896 -3.535 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.730 -1.998 -1.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -18.502 -2.129 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -20.050 -2.604 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -18.846 -3.773 0.932 1.00 0.00 H new ATOM 2039 N LEU B 75 -16.842 -6.670 -1.463 1.00 0.00 N ATOM 2040 CA LEU B 75 -15.804 -6.969 -0.542 1.00 0.00 C ATOM 2041 C LEU B 75 -15.046 -5.753 -0.139 1.00 0.00 C ATOM 2042 O LEU B 75 -14.498 -5.027 -0.969 1.00 0.00 O ATOM 2043 CB LEU B 75 -14.868 -8.041 -1.061 1.00 0.00 C ATOM 2044 CG LEU B 75 -15.369 -9.466 -0.972 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -14.365 -10.441 -1.557 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -15.676 -9.836 0.463 1.00 0.00 C ATOM 0 H LEU B 75 -16.652 -6.958 -2.423 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.293 -7.364 0.348 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -14.642 -7.822 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -13.930 -7.973 -0.510 1.00 0.00 H new ATOM 0 HG LEU B 75 -16.287 -9.529 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -14.755 -11.456 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -14.192 -10.200 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -13.426 -10.369 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -16.035 -10.864 0.505 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -14.772 -9.742 1.064 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -16.443 -9.168 0.855 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.057 -5.526 1.127 1.00 0.00 N ATOM 2059 CA GLU B 76 -14.317 -4.473 1.716 1.00 0.00 C ATOM 2060 C GLU B 76 -12.997 -5.041 2.134 1.00 0.00 C ATOM 2061 O GLU B 76 -12.875 -6.259 2.296 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.056 -3.921 2.921 1.00 0.00 C ATOM 2063 CG GLU B 76 -16.348 -3.205 2.574 1.00 0.00 C ATOM 2064 CD GLU B 76 -16.115 -1.993 1.709 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -15.289 -1.131 2.071 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -16.738 -1.889 0.630 1.00 0.00 O ATOM 0 H GLU B 76 -15.593 -6.081 1.794 1.00 0.00 H new ATOM 0 HA GLU B 76 -14.179 -3.655 1.009 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -15.278 -4.740 3.605 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -14.401 -3.231 3.452 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -17.016 -3.895 2.057 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -16.851 -2.902 3.492 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.037 -4.185 2.323 1.00 0.00 N ATOM 2074 CA LYS B 77 -10.690 -4.557 2.682 1.00 0.00 C ATOM 2075 C LYS B 77 -10.657 -5.497 3.887 1.00 0.00 C ATOM 2076 O LYS B 77 -10.023 -6.545 3.855 1.00 0.00 O ATOM 2077 CB LYS B 77 -9.895 -3.290 2.940 1.00 0.00 C ATOM 2078 CG LYS B 77 -8.478 -3.540 3.355 1.00 0.00 C ATOM 2079 CD LYS B 77 -7.614 -2.270 3.306 1.00 0.00 C ATOM 2080 CE LYS B 77 -7.587 -1.622 1.917 1.00 0.00 C ATOM 2081 NZ LYS B 77 -6.740 -0.413 1.890 1.00 0.00 N ATOM 0 H LYS B 77 -12.168 -3.178 2.230 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.239 -5.111 1.859 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -9.897 -2.681 2.036 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -10.394 -2.711 3.716 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.466 -3.944 4.367 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.041 -4.297 2.704 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -7.994 -1.550 4.030 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -6.596 -2.517 3.606 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -7.216 -2.342 1.188 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -8.602 -1.361 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -6.748 -0.005 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -7.109 0.285 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -5.765 -0.666 2.150 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.398 -5.134 4.897 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.530 -5.922 6.128 1.00 0.00 C ATOM 2097 C ALA B 78 -12.071 -7.327 5.856 1.00 0.00 C ATOM 2098 O ALA B 78 -11.690 -8.295 6.511 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.462 -5.211 7.081 1.00 0.00 C ATOM 0 H ALA B 78 -11.943 -4.272 4.905 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.536 -6.023 6.564 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.561 -5.795 7.996 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -12.057 -4.228 7.320 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.441 -5.097 6.615 1.00 0.00 H new ATOM 2105 N ASP B 79 -12.901 -7.433 4.842 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.590 -8.689 4.531 1.00 0.00 C ATOM 2107 C ASP B 79 -12.658 -9.603 3.824 1.00 0.00 C ATOM 2108 O ASP B 79 -12.571 -10.802 4.124 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.814 -8.456 3.634 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.944 -7.738 4.301 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -16.669 -8.347 5.113 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.169 -6.561 3.998 1.00 0.00 O ATOM 0 H ASP B 79 -13.123 -6.665 4.208 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.924 -9.125 5.473 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -14.504 -7.885 2.759 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -15.174 -9.420 3.275 1.00 0.00 H new ATOM 2117 N ILE B 80 -11.964 -9.017 2.890 1.00 0.00 N ATOM 2118 CA ILE B 80 -10.996 -9.681 2.052 1.00 0.00 C ATOM 2119 C ILE B 80 -9.850 -10.221 2.893 1.00 0.00 C ATOM 2120 O ILE B 80 -9.519 -11.408 2.809 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.465 -8.672 1.015 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -11.618 -8.147 0.177 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.423 -9.301 0.133 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.284 -6.933 -0.652 1.00 0.00 C ATOM 0 H ILE B 80 -12.058 -8.023 2.680 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.468 -10.521 1.542 1.00 0.00 H new ATOM 0 HB ILE B 80 -9.997 -7.843 1.546 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -11.960 -8.942 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.450 -7.903 0.838 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -9.066 -8.567 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.588 -9.645 0.744 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.858 -10.149 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.163 -6.626 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -10.972 -6.120 0.003 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.475 -7.175 -1.341 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.278 -9.355 3.719 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.175 -9.728 4.601 1.00 0.00 C ATOM 2138 C LEU B 81 -8.540 -10.929 5.446 1.00 0.00 C ATOM 2139 O LEU B 81 -7.844 -11.945 5.423 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.774 -8.555 5.498 1.00 0.00 C ATOM 2141 CG LEU B 81 -6.675 -7.604 4.997 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -6.944 -7.090 3.586 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.556 -6.443 5.958 1.00 0.00 C ATOM 0 H LEU B 81 -9.562 -8.379 3.798 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.324 -9.993 3.974 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.668 -7.961 5.689 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -7.451 -8.963 6.456 1.00 0.00 H new ATOM 0 HG LEU B 81 -5.740 -8.163 4.955 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.137 -6.423 3.282 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -6.998 -7.932 2.896 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -7.889 -6.547 3.571 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.779 -5.762 5.611 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -7.507 -5.913 6.008 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.296 -6.816 6.949 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.671 -10.832 6.126 1.00 0.00 N ATOM 2156 CA GLU B 82 -10.156 -11.894 6.971 1.00 0.00 C ATOM 2157 C GLU B 82 -10.383 -13.185 6.196 1.00 0.00 C ATOM 2158 O GLU B 82 -9.979 -14.235 6.650 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.442 -11.467 7.675 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.167 -12.559 8.387 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.552 -12.158 8.829 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.716 -11.631 9.935 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.516 -12.408 8.058 1.00 0.00 O ATOM 0 H GLU B 82 -10.275 -10.010 6.103 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.386 -12.092 7.717 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.201 -10.683 8.393 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -12.113 -11.028 6.937 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.238 -13.427 7.732 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.588 -12.864 9.259 1.00 0.00 H new ATOM 2170 N MET B 83 -10.946 -13.089 4.991 1.00 0.00 N ATOM 2171 CA MET B 83 -11.351 -14.278 4.242 1.00 0.00 C ATOM 2172 C MET B 83 -10.132 -15.107 3.881 1.00 0.00 C ATOM 2173 O MET B 83 -10.151 -16.334 3.932 1.00 0.00 O ATOM 2174 CB MET B 83 -12.145 -13.896 2.982 1.00 0.00 C ATOM 2175 CG MET B 83 -12.872 -15.076 2.334 1.00 0.00 C ATOM 2176 SD MET B 83 -13.818 -14.621 0.852 1.00 0.00 S ATOM 2177 CE MET B 83 -14.934 -13.385 1.506 1.00 0.00 C ATOM 0 H MET B 83 -11.131 -12.206 4.515 1.00 0.00 H new ATOM 0 HA MET B 83 -12.006 -14.877 4.875 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.875 -13.129 3.241 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.464 -13.455 2.254 1.00 0.00 H new ATOM 0 HG2 MET B 83 -12.142 -15.840 2.068 1.00 0.00 H new ATOM 0 HG3 MET B 83 -13.548 -15.521 3.064 1.00 0.00 H new ATOM 0 HE1 MET B 83 -15.769 -13.248 0.818 1.00 0.00 H new ATOM 0 HE2 MET B 83 -15.312 -13.712 2.475 1.00 0.00 H new ATOM 0 HE3 MET B 83 -14.402 -12.441 1.624 1.00 0.00 H new ATOM 2187 N THR B 84 -9.070 -14.409 3.611 1.00 0.00 N ATOM 2188 CA THR B 84 -7.806 -14.982 3.250 1.00 0.00 C ATOM 2189 C THR B 84 -7.167 -15.672 4.476 1.00 0.00 C ATOM 2190 O THR B 84 -6.667 -16.795 4.383 1.00 0.00 O ATOM 2191 CB THR B 84 -6.925 -13.845 2.723 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.725 -13.109 1.801 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.711 -14.364 1.970 1.00 0.00 C ATOM 0 H THR B 84 -9.058 -13.389 3.637 1.00 0.00 H new ATOM 0 HA THR B 84 -7.924 -15.745 2.481 1.00 0.00 H new ATOM 0 HB THR B 84 -6.570 -13.248 3.563 1.00 0.00 H new ATOM 0 HG1 THR B 84 -8.123 -12.338 2.256 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.116 -13.523 1.615 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.107 -14.981 2.635 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.039 -14.961 1.119 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.243 -15.012 5.627 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.716 -15.565 6.878 1.00 0.00 C ATOM 2203 C VAL B 85 -7.520 -16.810 7.275 1.00 0.00 C ATOM 2204 O VAL B 85 -6.962 -17.829 7.688 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.803 -14.535 8.029 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.235 -15.078 9.335 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.116 -13.262 7.656 1.00 0.00 C ATOM 0 H VAL B 85 -7.666 -14.089 5.723 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.670 -15.823 6.712 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.862 -14.333 8.192 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.319 -14.318 10.112 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.793 -15.965 9.633 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.186 -15.339 9.195 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.190 -12.553 8.481 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.066 -13.464 7.444 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.590 -12.839 6.770 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.833 -16.717 7.147 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.706 -17.827 7.469 1.00 0.00 C ATOM 2219 C LYS B 86 -9.428 -19.033 6.564 1.00 0.00 C ATOM 2220 O LYS B 86 -9.362 -20.171 7.045 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.172 -17.403 7.427 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.449 -16.183 8.297 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.908 -15.935 8.540 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.654 -15.579 7.277 1.00 0.00 C ATOM 2225 NZ LYS B 86 -15.020 -15.084 7.574 1.00 0.00 N ATOM 0 H LYS B 86 -9.317 -15.880 6.821 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.492 -18.140 8.491 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.455 -17.183 6.397 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.797 -18.232 7.759 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -10.946 -16.310 9.256 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -11.014 -15.303 7.823 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.355 -16.825 8.983 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.020 -15.128 9.264 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -13.101 -14.816 6.729 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -13.716 -16.454 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.603 -15.138 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.447 -15.670 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -14.969 -14.097 7.897 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.198 -18.770 5.273 1.00 0.00 N ATOM 2240 CA HIS B 87 -8.852 -19.822 4.307 1.00 0.00 C ATOM 2241 C HIS B 87 -7.520 -20.463 4.680 1.00 0.00 C ATOM 2242 O HIS B 87 -7.324 -21.671 4.494 1.00 0.00 O ATOM 2243 CB HIS B 87 -8.809 -19.255 2.874 1.00 0.00 C ATOM 2244 CG HIS B 87 -8.486 -20.266 1.785 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -9.195 -21.430 1.572 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -7.534 -20.240 0.822 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -8.676 -22.049 0.518 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -7.663 -21.371 0.019 1.00 0.00 N ATOM 0 H HIS B 87 -9.245 -17.834 4.870 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.624 -20.591 4.339 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -9.775 -18.802 2.651 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.067 -18.458 2.838 1.00 0.00 H new ATOM 0 HD1 HIS B 87 -9.983 -21.759 2.129 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -6.792 -19.465 0.697 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -9.037 -22.986 0.122 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.622 -19.650 5.228 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.342 -20.112 5.719 1.00 0.00 C ATOM 2258 C LEU B 88 -5.533 -21.219 6.738 1.00 0.00 C ATOM 2259 O LEU B 88 -4.906 -22.264 6.630 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.534 -18.941 6.312 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.310 -19.283 7.179 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.289 -20.102 6.422 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -2.684 -18.018 7.721 1.00 0.00 C ATOM 0 H LEU B 88 -6.769 -18.647 5.341 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.774 -20.519 4.882 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.196 -18.315 5.486 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.212 -18.336 6.913 1.00 0.00 H new ATOM 0 HG LEU B 88 -3.657 -19.894 8.012 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.442 -20.320 7.073 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.744 -21.036 6.093 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -1.944 -19.541 5.554 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.819 -18.273 8.333 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -2.368 -17.384 6.892 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.413 -17.483 8.329 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.433 -21.019 7.705 1.00 0.00 N ATOM 2276 CA ARG B 89 -6.665 -22.077 8.686 1.00 0.00 C ATOM 2277 C ARG B 89 -7.260 -23.291 8.045 1.00 0.00 C ATOM 2278 O ARG B 89 -6.871 -24.387 8.375 1.00 0.00 O ATOM 2279 CB ARG B 89 -7.508 -21.682 9.907 1.00 0.00 C ATOM 2280 CG ARG B 89 -6.848 -20.721 10.866 1.00 0.00 C ATOM 2281 CD ARG B 89 -6.980 -19.310 10.401 1.00 0.00 C ATOM 2282 NE ARG B 89 -8.391 -18.874 10.439 1.00 0.00 N ATOM 2283 CZ ARG B 89 -8.844 -17.749 11.029 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -8.008 -16.911 11.624 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -10.140 -17.482 11.041 1.00 0.00 N ATOM 0 H ARG B 89 -6.990 -20.173 7.827 1.00 0.00 H new ATOM 0 HA ARG B 89 -5.668 -22.292 9.071 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.439 -21.237 9.556 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -7.774 -22.588 10.452 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.298 -20.824 11.853 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.793 -20.974 10.969 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.376 -18.657 11.031 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.594 -19.220 9.386 1.00 0.00 H new ATOM 0 HE ARG B 89 -9.079 -19.473 9.982 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.008 -17.113 11.640 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -8.364 -16.064 12.066 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.798 -18.127 10.604 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.481 -16.631 11.488 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.170 -23.085 7.094 1.00 0.00 N ATOM 2300 CA ASN B 90 -8.829 -24.189 6.393 1.00 0.00 C ATOM 2301 C ASN B 90 -7.800 -25.074 5.728 1.00 0.00 C ATOM 2302 O ASN B 90 -7.778 -26.280 5.939 1.00 0.00 O ATOM 2303 CB ASN B 90 -9.830 -23.696 5.331 1.00 0.00 C ATOM 2304 CG ASN B 90 -10.960 -22.842 5.887 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.327 -22.948 7.061 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.563 -22.038 5.040 1.00 0.00 N ATOM 0 H ASN B 90 -8.470 -22.159 6.789 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.384 -24.752 7.143 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.290 -23.120 4.579 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.259 -24.560 4.823 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.359 -21.479 5.346 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.235 -21.973 4.076 1.00 0.00 H new ATOM 2313 N LEU B 91 -6.906 -24.462 4.974 1.00 0.00 N ATOM 2314 CA LEU B 91 -5.854 -25.190 4.286 1.00 0.00 C ATOM 2315 C LEU B 91 -4.866 -25.799 5.255 1.00 0.00 C ATOM 2316 O LEU B 91 -4.297 -26.829 4.992 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.122 -24.292 3.324 1.00 0.00 C ATOM 2318 CG LEU B 91 -5.915 -23.776 2.142 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -5.079 -22.784 1.375 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -6.329 -24.932 1.236 1.00 0.00 C ATOM 0 H LEU B 91 -6.887 -23.454 4.821 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.336 -25.997 3.734 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -4.742 -23.435 3.880 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.256 -24.834 2.943 1.00 0.00 H new ATOM 0 HG LEU B 91 -6.818 -23.284 2.502 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.648 -22.411 0.523 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -4.813 -21.952 2.027 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -4.171 -23.271 1.020 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -6.898 -24.546 0.391 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -5.439 -25.444 0.870 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -6.946 -25.633 1.799 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.680 -25.163 6.376 1.00 0.00 N ATOM 2333 CA GLN B 92 -3.775 -25.657 7.390 1.00 0.00 C ATOM 2334 C GLN B 92 -4.364 -26.841 8.181 1.00 0.00 C ATOM 2335 O GLN B 92 -3.631 -27.635 8.766 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.320 -24.504 8.324 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.260 -23.591 7.731 1.00 0.00 C ATOM 2338 CD GLN B 92 -0.926 -24.264 7.533 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -0.832 -25.461 7.305 1.00 0.00 O ATOM 2340 NE2 GLN B 92 0.111 -23.502 7.603 1.00 0.00 N ATOM 0 H GLN B 92 -5.147 -24.289 6.618 1.00 0.00 H new ATOM 0 HA GLN B 92 -2.894 -26.047 6.880 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.190 -23.904 8.589 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -2.935 -24.934 9.249 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.613 -23.214 6.771 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.129 -22.728 8.384 1.00 0.00 H new ATOM 0 HE21 GLN B 92 0.000 -22.506 7.795 1.00 0.00 H new ATOM 0 HE22 GLN B 92 1.042 -23.895 7.466 1.00 0.00 H new ATOM 2349 N ARG B 93 -5.672 -27.003 8.131 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.338 -28.021 8.936 1.00 0.00 C ATOM 2351 C ARG B 93 -6.975 -29.086 8.070 1.00 0.00 C ATOM 2352 O ARG B 93 -7.630 -29.994 8.577 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.388 -27.367 9.866 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.580 -26.720 9.150 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.739 -27.685 8.939 1.00 0.00 C ATOM 2356 NE ARG B 93 -10.243 -28.206 10.211 1.00 0.00 N ATOM 2357 CZ ARG B 93 -10.741 -29.432 10.398 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -10.841 -30.282 9.371 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -11.137 -29.805 11.614 1.00 0.00 N ATOM 0 H ARG B 93 -6.296 -26.448 7.546 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.583 -28.511 9.551 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -7.765 -28.125 10.552 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -6.892 -26.608 10.471 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -8.926 -25.865 9.731 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -8.253 -26.336 8.184 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -10.544 -27.177 8.408 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.414 -28.513 8.309 1.00 0.00 H new ATOM 0 HE ARG B 93 -10.212 -27.584 11.019 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -10.537 -29.996 8.441 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -11.222 -31.217 9.518 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -11.059 -29.156 12.397 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -11.518 -30.740 11.762 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.756 -29.006 6.770 1.00 0.00 N ATOM 2374 CA ALA B 94 -7.389 -29.931 5.839 1.00 0.00 C ATOM 2375 C ALA B 94 -6.736 -31.298 5.929 1.00 0.00 C ATOM 2376 O ALA B 94 -7.241 -32.283 5.414 1.00 0.00 O ATOM 2377 CB ALA B 94 -7.340 -29.380 4.419 1.00 0.00 C ATOM 0 H ALA B 94 -6.147 -28.314 6.333 1.00 0.00 H new ATOM 0 HA ALA B 94 -8.438 -30.043 6.112 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -7.818 -30.085 3.739 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.866 -28.426 4.381 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -6.302 -29.235 4.121 1.00 0.00 H new ATOM 2383 N GLN B 95 -5.621 -31.333 6.605 1.00 0.00 N ATOM 2384 CA GLN B 95 -4.898 -32.526 6.833 1.00 0.00 C ATOM 2385 C GLN B 95 -5.285 -33.004 8.199 1.00 0.00 C ATOM 2386 O GLN B 95 -6.005 -33.998 8.305 1.00 0.00 O ATOM 2387 CB GLN B 95 -3.377 -32.301 6.762 1.00 0.00 C ATOM 2388 CG GLN B 95 -2.890 -31.622 5.486 1.00 0.00 C ATOM 2389 CD GLN B 95 -2.793 -30.108 5.596 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -1.756 -29.574 5.965 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -3.859 -29.412 5.311 1.00 0.00 N ATOM 0 H GLN B 95 -5.190 -30.505 7.017 1.00 0.00 H new ATOM 0 HA GLN B 95 -5.137 -33.260 6.063 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -3.073 -31.697 7.617 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -2.876 -33.264 6.858 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -1.910 -32.022 5.224 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -3.566 -31.875 4.670 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -4.710 -29.884 5.006 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -3.842 -28.395 5.394 1.00 0.00 H new