USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 HIS : no HE2:sc= -3.47! C(o=-4.4!,f=-7.9!) USER MOD Set 1.2: B 92 GLN : amide:sc= -0.91 K(o=-4.4,f=-5.2) USER MOD Single : A 42 MET CE :methyl -164:sc= -0.112 (180deg=-0.521) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0531) USER MOD Single : A 51 ASN : amide:sc= 0.758 K(o=0.76,f=-0.055) USER MOD Single : A 53 SER OG : rot -80:sc=-0.00281 USER MOD Single : A 55 SER OG : rot 74:sc= 1.23 USER MOD Single : A 56 GLN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -112:sc= 1.23 (180deg=-0.121) USER MOD Single : A 59 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 148:sc= 1.38 (180deg=1.23) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-2.5!) USER MOD Single : A 73 SER OG : rot -25:sc= 0.422 USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.25) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= -0.0119 (180deg=-0.0666) USER MOD Single : A 83 MET CE :methyl 162:sc= -0.306 (180deg=-0.985) USER MOD Single : A 84 THR OG1 : rot 78:sc= 0.406 USER MOD Single : A 86 LYS NZ :NH3+ 159:sc= -0.0503 (180deg=-0.269) USER MOD Single : A 90 ASN : amide:sc= -0.0386 K(o=-0.039,f=-4.3!) USER MOD Single : A 92 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : B 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.048) USER MOD Single : B 51 ASN : amide:sc= 0.356 X(o=0.36,f=-0.014) USER MOD Single : B 53 SER OG : rot 82:sc= 1.06 USER MOD Single : B 55 SER OG : rot 180:sc= -0.0268 USER MOD Single : B 56 GLN : amide:sc= 0.077 K(o=0.077,f=-3!) USER MOD Single : B 58 LYS NZ :NH3+ -169:sc= -0.0105 (180deg=-0.135) USER MOD Single : B 59 THR OG1 : rot 67:sc= 1.27 USER MOD Single : B 66 LYS NZ :NH3+ -133:sc= 1.27 (180deg=0.758) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 72 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-4.8!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 141:sc= -0.354 (180deg=-1.46) USER MOD Single : B 84 THR OG1 : rot 84:sc= 0.624 USER MOD Single : B 86 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.14) USER MOD Single : B 87 HIS : no HD1:sc= -4.24 K(o=-4.2,f=-5.3!) USER MOD Single : B 90 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 95 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -18.375 4.225 9.343 1.00 0.00 N ATOM 269 CA MET A 42 -18.274 2.941 8.679 1.00 0.00 C ATOM 270 C MET A 42 -16.855 2.633 8.321 1.00 0.00 C ATOM 271 O MET A 42 -16.372 1.533 8.570 1.00 0.00 O ATOM 272 CB MET A 42 -19.141 2.888 7.433 1.00 0.00 C ATOM 273 CG MET A 42 -20.624 3.059 7.697 1.00 0.00 C ATOM 274 SD MET A 42 -21.316 1.794 8.786 1.00 0.00 S ATOM 275 CE MET A 42 -20.985 0.309 7.842 1.00 0.00 C ATOM 0 HA MET A 42 -18.634 2.188 9.381 1.00 0.00 H new ATOM 0 HB2 MET A 42 -18.814 3.667 6.744 1.00 0.00 H new ATOM 0 HB3 MET A 42 -18.981 1.933 6.933 1.00 0.00 H new ATOM 0 HG2 MET A 42 -20.795 4.040 8.140 1.00 0.00 H new ATOM 0 HG3 MET A 42 -21.158 3.040 6.747 1.00 0.00 H new ATOM 0 HE1 MET A 42 -21.590 -0.511 8.230 1.00 0.00 H new ATOM 0 HE2 MET A 42 -21.234 0.480 6.795 1.00 0.00 H new ATOM 0 HE3 MET A 42 -19.929 0.052 7.926 1.00 0.00 H new ATOM 285 N GLU A 43 -16.157 3.619 7.795 1.00 0.00 N ATOM 286 CA GLU A 43 -14.795 3.395 7.385 1.00 0.00 C ATOM 287 C GLU A 43 -13.884 3.305 8.574 1.00 0.00 C ATOM 288 O GLU A 43 -12.852 2.705 8.490 1.00 0.00 O ATOM 289 CB GLU A 43 -14.274 4.442 6.408 1.00 0.00 C ATOM 290 CG GLU A 43 -14.141 5.836 6.974 1.00 0.00 C ATOM 291 CD GLU A 43 -13.477 6.753 6.001 1.00 0.00 C ATOM 292 OE1 GLU A 43 -14.002 6.950 4.899 1.00 0.00 O ATOM 293 OE2 GLU A 43 -12.408 7.320 6.316 1.00 0.00 O ATOM 0 H GLU A 43 -16.506 4.565 7.645 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.799 2.443 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.299 4.121 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.942 4.478 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.128 6.224 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.564 5.803 7.898 1.00 0.00 H new ATOM 300 N LYS A 44 -14.284 3.885 9.687 1.00 0.00 N ATOM 301 CA LYS A 44 -13.471 3.840 10.877 1.00 0.00 C ATOM 302 C LYS A 44 -13.566 2.462 11.504 1.00 0.00 C ATOM 303 O LYS A 44 -12.559 1.875 11.917 1.00 0.00 O ATOM 304 CB LYS A 44 -13.875 4.950 11.834 1.00 0.00 C ATOM 305 CG LYS A 44 -13.051 5.036 13.097 1.00 0.00 C ATOM 306 CD LYS A 44 -13.210 6.393 13.758 1.00 0.00 C ATOM 307 CE LYS A 44 -14.631 6.658 14.222 1.00 0.00 C ATOM 308 NZ LYS A 44 -15.026 5.764 15.324 1.00 0.00 N ATOM 0 H LYS A 44 -15.164 4.390 9.789 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.425 4.012 10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.809 5.903 11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.920 4.809 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.357 4.252 13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.001 4.862 12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.536 6.457 14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.911 7.171 13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.719 7.695 14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.316 6.527 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.947 6.064 15.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.098 4.788 14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.312 5.807 16.079 1.00 0.00 H new ATOM 322 N ARG A 45 -14.780 1.927 11.512 1.00 0.00 N ATOM 323 CA ARG A 45 -15.039 0.569 11.981 1.00 0.00 C ATOM 324 C ARG A 45 -14.315 -0.418 11.087 1.00 0.00 C ATOM 325 O ARG A 45 -13.690 -1.381 11.561 1.00 0.00 O ATOM 326 CB ARG A 45 -16.530 0.275 11.932 1.00 0.00 C ATOM 327 CG ARG A 45 -17.361 1.050 12.922 1.00 0.00 C ATOM 328 CD ARG A 45 -18.828 0.855 12.640 1.00 0.00 C ATOM 329 NE ARG A 45 -19.677 1.367 13.717 1.00 0.00 N ATOM 330 CZ ARG A 45 -20.946 0.986 13.948 1.00 0.00 C ATOM 331 NH1 ARG A 45 -21.506 0.006 13.226 1.00 0.00 N ATOM 332 NH2 ARG A 45 -21.632 1.561 14.933 1.00 0.00 N ATOM 0 H ARG A 45 -15.614 2.421 11.194 1.00 0.00 H new ATOM 0 HA ARG A 45 -14.685 0.476 13.008 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.895 0.488 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.682 -0.790 12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.132 0.721 13.936 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.111 2.109 12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.086 1.358 11.708 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.029 -0.207 12.496 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.275 2.067 14.341 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -20.969 -0.458 12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -22.469 -0.276 13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -21.195 2.284 15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.595 1.279 15.116 1.00 0.00 H new ATOM 346 N ARG A 46 -14.405 -0.162 9.794 1.00 0.00 N ATOM 347 CA ARG A 46 -13.759 -0.961 8.788 1.00 0.00 C ATOM 348 C ARG A 46 -12.246 -0.904 8.964 1.00 0.00 C ATOM 349 O ARG A 46 -11.606 -1.915 8.984 1.00 0.00 O ATOM 350 CB ARG A 46 -14.130 -0.454 7.400 1.00 0.00 C ATOM 351 CG ARG A 46 -13.576 -1.289 6.266 1.00 0.00 C ATOM 352 CD ARG A 46 -13.798 -0.611 4.933 1.00 0.00 C ATOM 353 NE ARG A 46 -15.219 -0.419 4.612 1.00 0.00 N ATOM 354 CZ ARG A 46 -15.774 0.746 4.217 1.00 0.00 C ATOM 355 NH1 ARG A 46 -15.047 1.860 4.157 1.00 0.00 N ATOM 356 NH2 ARG A 46 -17.041 0.783 3.848 1.00 0.00 N ATOM 0 H ARG A 46 -14.939 0.620 9.416 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.093 -1.993 8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.216 -0.422 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.771 0.570 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.510 -1.456 6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.055 -2.268 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.299 0.358 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.332 -1.206 4.148 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.834 -1.229 4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.059 1.839 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.478 2.735 3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.601 -0.069 3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.460 1.664 3.550 1.00 0.00 H new ATOM 370 N ARG A 47 -11.712 0.301 9.116 1.00 0.00 N ATOM 371 CA ARG A 47 -10.274 0.562 9.271 1.00 0.00 C ATOM 372 C ARG A 47 -9.705 -0.174 10.449 1.00 0.00 C ATOM 373 O ARG A 47 -8.634 -0.776 10.354 1.00 0.00 O ATOM 374 CB ARG A 47 -10.039 2.062 9.390 1.00 0.00 C ATOM 375 CG ARG A 47 -8.593 2.508 9.482 1.00 0.00 C ATOM 376 CD ARG A 47 -8.524 4.013 9.314 1.00 0.00 C ATOM 377 NE ARG A 47 -9.064 4.408 8.008 1.00 0.00 N ATOM 378 CZ ARG A 47 -9.863 5.462 7.781 1.00 0.00 C ATOM 379 NH1 ARG A 47 -10.125 6.342 8.742 1.00 0.00 N ATOM 380 NH2 ARG A 47 -10.379 5.639 6.583 1.00 0.00 N ATOM 0 H ARG A 47 -12.276 1.151 9.136 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.755 0.192 8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.494 2.549 8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.565 2.422 10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.171 2.218 10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.999 2.016 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.087 4.500 10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.491 4.348 9.404 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.811 3.833 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.717 6.222 9.669 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.734 7.138 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.171 4.977 5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.987 6.438 6.403 1.00 0.00 H new ATOM 394 N ALA A 48 -10.424 -0.148 11.542 1.00 0.00 N ATOM 395 CA ALA A 48 -10.046 -0.871 12.723 1.00 0.00 C ATOM 396 C ALA A 48 -9.933 -2.348 12.391 1.00 0.00 C ATOM 397 O ALA A 48 -8.903 -2.961 12.629 1.00 0.00 O ATOM 398 CB ALA A 48 -11.070 -0.653 13.810 1.00 0.00 C ATOM 0 H ALA A 48 -11.292 0.379 11.635 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.082 -0.510 13.080 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.776 -1.205 14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.131 0.410 14.044 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.043 -1.006 13.469 1.00 0.00 H new ATOM 404 N ARG A 49 -10.964 -2.875 11.746 1.00 0.00 N ATOM 405 CA ARG A 49 -11.020 -4.279 11.363 1.00 0.00 C ATOM 406 C ARG A 49 -9.893 -4.617 10.365 1.00 0.00 C ATOM 407 O ARG A 49 -9.340 -5.704 10.406 1.00 0.00 O ATOM 408 CB ARG A 49 -12.388 -4.598 10.767 1.00 0.00 C ATOM 409 CG ARG A 49 -12.590 -6.049 10.387 1.00 0.00 C ATOM 410 CD ARG A 49 -13.937 -6.228 9.731 1.00 0.00 C ATOM 411 NE ARG A 49 -14.112 -7.566 9.182 1.00 0.00 N ATOM 412 CZ ARG A 49 -14.631 -7.830 7.974 1.00 0.00 C ATOM 413 NH1 ARG A 49 -15.084 -6.827 7.200 1.00 0.00 N ATOM 414 NH2 ARG A 49 -14.726 -9.090 7.562 1.00 0.00 N ATOM 0 H ARG A 49 -11.788 -2.339 11.473 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.874 -4.894 12.251 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.157 -4.314 11.485 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.536 -3.981 9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.800 -6.369 9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.522 -6.679 11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.723 -6.032 10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.051 -5.493 8.934 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.820 -8.357 9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.033 -5.864 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.478 -7.030 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.405 -9.849 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.120 -9.298 6.644 1.00 0.00 H new ATOM 428 N ILE A 50 -9.575 -3.674 9.475 1.00 0.00 N ATOM 429 CA ILE A 50 -8.471 -3.806 8.535 1.00 0.00 C ATOM 430 C ILE A 50 -7.176 -4.043 9.297 1.00 0.00 C ATOM 431 O ILE A 50 -6.499 -5.036 9.069 1.00 0.00 O ATOM 432 CB ILE A 50 -8.347 -2.532 7.641 1.00 0.00 C ATOM 433 CG1 ILE A 50 -9.586 -2.408 6.752 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.073 -2.559 6.789 1.00 0.00 C ATOM 435 CD1 ILE A 50 -9.656 -1.143 5.941 1.00 0.00 C ATOM 0 H ILE A 50 -10.083 -2.793 9.390 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.667 -4.658 7.884 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.280 -1.662 8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.616 -3.260 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.475 -2.470 7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.023 -1.656 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.200 -2.607 7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.089 -3.434 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.567 -1.144 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.662 -0.282 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.790 -1.085 5.282 1.00 0.00 H new ATOM 447 N ASN A 51 -6.877 -3.165 10.241 1.00 0.00 N ATOM 448 CA ASN A 51 -5.662 -3.300 11.056 1.00 0.00 C ATOM 449 C ASN A 51 -5.672 -4.589 11.810 1.00 0.00 C ATOM 450 O ASN A 51 -4.699 -5.333 11.774 1.00 0.00 O ATOM 451 CB ASN A 51 -5.481 -2.154 12.056 1.00 0.00 C ATOM 452 CG ASN A 51 -5.150 -0.823 11.436 1.00 0.00 C ATOM 453 OD1 ASN A 51 -3.987 -0.503 11.213 1.00 0.00 O ATOM 454 ND2 ASN A 51 -6.145 -0.029 11.174 1.00 0.00 N ATOM 0 H ASN A 51 -7.450 -2.352 10.467 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.829 -3.273 10.354 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.397 -2.050 12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.688 -2.421 12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.970 0.891 10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.100 -0.326 11.372 1.00 0.00 H new ATOM 461 N GLU A 52 -6.776 -4.868 12.458 1.00 0.00 N ATOM 462 CA GLU A 52 -6.911 -6.068 13.262 1.00 0.00 C ATOM 463 C GLU A 52 -6.733 -7.346 12.429 1.00 0.00 C ATOM 464 O GLU A 52 -6.074 -8.288 12.866 1.00 0.00 O ATOM 465 CB GLU A 52 -8.251 -6.087 14.010 1.00 0.00 C ATOM 466 CG GLU A 52 -8.482 -4.881 14.926 1.00 0.00 C ATOM 467 CD GLU A 52 -7.407 -4.702 15.970 1.00 0.00 C ATOM 468 OE1 GLU A 52 -7.531 -5.260 17.074 1.00 0.00 O ATOM 469 OE2 GLU A 52 -6.407 -3.984 15.722 1.00 0.00 O ATOM 0 H GLU A 52 -7.606 -4.275 12.446 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.108 -6.047 13.999 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.060 -6.134 13.281 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.307 -6.997 14.607 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.540 -3.979 14.317 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.445 -4.992 15.424 1.00 0.00 H new ATOM 476 N SER A 53 -7.281 -7.374 11.227 1.00 0.00 N ATOM 477 CA SER A 53 -7.191 -8.543 10.409 1.00 0.00 C ATOM 478 C SER A 53 -5.805 -8.657 9.777 1.00 0.00 C ATOM 479 O SER A 53 -5.254 -9.744 9.694 1.00 0.00 O ATOM 480 CB SER A 53 -8.291 -8.550 9.346 1.00 0.00 C ATOM 481 OG SER A 53 -8.296 -9.764 8.627 1.00 0.00 O ATOM 0 H SER A 53 -7.790 -6.596 10.807 1.00 0.00 H new ATOM 0 HA SER A 53 -7.339 -9.417 11.044 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.261 -8.401 9.821 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.142 -7.717 8.659 1.00 0.00 H new ATOM 0 HG SER A 53 -7.594 -9.742 7.944 1.00 0.00 H new ATOM 487 N LEU A 54 -5.250 -7.530 9.363 1.00 0.00 N ATOM 488 CA LEU A 54 -3.947 -7.479 8.710 1.00 0.00 C ATOM 489 C LEU A 54 -2.870 -7.915 9.704 1.00 0.00 C ATOM 490 O LEU A 54 -1.984 -8.717 9.382 1.00 0.00 O ATOM 491 CB LEU A 54 -3.680 -6.038 8.255 1.00 0.00 C ATOM 492 CG LEU A 54 -2.869 -5.830 6.966 1.00 0.00 C ATOM 493 CD1 LEU A 54 -2.824 -4.360 6.617 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.462 -6.373 7.080 1.00 0.00 C ATOM 0 H LEU A 54 -5.692 -6.617 9.470 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.931 -8.145 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.643 -5.544 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.161 -5.523 9.063 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.371 -6.385 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.248 -4.221 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.838 -3.991 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.354 -3.807 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.929 -6.202 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.941 -5.866 7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.500 -7.443 7.286 1.00 0.00 H new ATOM 506 N SER A 55 -2.980 -7.405 10.908 1.00 0.00 N ATOM 507 CA SER A 55 -2.050 -7.695 11.961 1.00 0.00 C ATOM 508 C SER A 55 -2.056 -9.196 12.324 1.00 0.00 C ATOM 509 O SER A 55 -1.001 -9.816 12.434 1.00 0.00 O ATOM 510 CB SER A 55 -2.356 -6.805 13.166 1.00 0.00 C ATOM 511 OG SER A 55 -2.229 -5.430 12.821 1.00 0.00 O ATOM 0 H SER A 55 -3.729 -6.769 11.182 1.00 0.00 H new ATOM 0 HA SER A 55 -1.040 -7.472 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.366 -7.003 13.524 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.676 -7.044 13.983 1.00 0.00 H new ATOM 0 HG SER A 55 -2.990 -5.160 12.265 1.00 0.00 H new ATOM 517 N GLN A 56 -3.229 -9.799 12.446 1.00 0.00 N ATOM 518 CA GLN A 56 -3.278 -11.223 12.770 1.00 0.00 C ATOM 519 C GLN A 56 -2.871 -12.069 11.554 1.00 0.00 C ATOM 520 O GLN A 56 -2.355 -13.169 11.704 1.00 0.00 O ATOM 521 CB GLN A 56 -4.653 -11.644 13.320 1.00 0.00 C ATOM 522 CG GLN A 56 -5.797 -11.508 12.334 1.00 0.00 C ATOM 523 CD GLN A 56 -7.149 -11.723 12.970 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.668 -12.844 13.027 1.00 0.00 O ATOM 525 NE2 GLN A 56 -7.727 -10.663 13.456 1.00 0.00 N ATOM 0 H GLN A 56 -4.135 -9.345 12.331 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.556 -11.406 13.566 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.596 -12.682 13.649 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.877 -11.042 14.201 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.766 -10.516 11.884 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.662 -12.228 11.527 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.267 -9.755 13.390 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.640 -10.740 13.903 1.00 0.00 H new ATOM 534 N LEU A 57 -3.068 -11.517 10.367 1.00 0.00 N ATOM 535 CA LEU A 57 -2.707 -12.172 9.120 1.00 0.00 C ATOM 536 C LEU A 57 -1.201 -12.414 9.080 1.00 0.00 C ATOM 537 O LEU A 57 -0.765 -13.558 8.947 1.00 0.00 O ATOM 538 CB LEU A 57 -3.213 -11.315 7.937 1.00 0.00 C ATOM 539 CG LEU A 57 -3.011 -11.830 6.500 1.00 0.00 C ATOM 540 CD1 LEU A 57 -3.990 -11.134 5.572 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.602 -11.544 6.018 1.00 0.00 C ATOM 0 H LEU A 57 -3.486 -10.595 10.241 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.182 -13.150 9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.281 -11.154 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.731 -10.340 8.008 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.179 -12.907 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.848 -11.498 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.010 -11.345 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.816 -10.058 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.483 -11.917 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.423 -10.469 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.886 -12.041 6.673 1.00 0.00 H new ATOM 553 N LYS A 58 -0.413 -11.342 9.234 1.00 0.00 N ATOM 554 CA LYS A 58 1.053 -11.469 9.284 1.00 0.00 C ATOM 555 C LYS A 58 1.484 -12.404 10.409 1.00 0.00 C ATOM 556 O LYS A 58 2.410 -13.203 10.241 1.00 0.00 O ATOM 557 CB LYS A 58 1.781 -10.100 9.415 1.00 0.00 C ATOM 558 CG LYS A 58 1.207 -9.160 10.473 1.00 0.00 C ATOM 559 CD LYS A 58 2.176 -8.053 10.887 1.00 0.00 C ATOM 560 CE LYS A 58 3.264 -8.601 11.807 1.00 0.00 C ATOM 561 NZ LYS A 58 4.224 -7.562 12.264 1.00 0.00 N ATOM 0 H LYS A 58 -0.759 -10.387 9.325 1.00 0.00 H new ATOM 0 HA LYS A 58 1.351 -11.898 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.830 -10.285 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.751 -9.596 8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.292 -8.708 10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.931 -9.740 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.631 -7.612 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.631 -7.257 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.797 -9.062 12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.810 -9.387 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.157 -7.741 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.885 -6.623 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.302 -7.593 13.301 1.00 0.00 H new ATOM 575 N THR A 59 0.766 -12.331 11.522 1.00 0.00 N ATOM 576 CA THR A 59 1.041 -13.147 12.688 1.00 0.00 C ATOM 577 C THR A 59 0.914 -14.649 12.353 1.00 0.00 C ATOM 578 O THR A 59 1.836 -15.432 12.593 1.00 0.00 O ATOM 579 CB THR A 59 0.078 -12.775 13.845 1.00 0.00 C ATOM 580 OG1 THR A 59 0.214 -11.368 14.144 1.00 0.00 O ATOM 581 CG2 THR A 59 0.390 -13.579 15.104 1.00 0.00 C ATOM 0 H THR A 59 -0.027 -11.700 11.638 1.00 0.00 H new ATOM 0 HA THR A 59 2.066 -12.952 13.004 1.00 0.00 H new ATOM 0 HB THR A 59 -0.940 -13.004 13.529 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.463 -10.861 13.649 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.302 -13.296 15.897 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.283 -14.643 14.892 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.412 -13.373 15.423 1.00 0.00 H new ATOM 589 N LEU A 60 -0.206 -15.027 11.762 1.00 0.00 N ATOM 590 CA LEU A 60 -0.460 -16.415 11.431 1.00 0.00 C ATOM 591 C LEU A 60 0.415 -16.909 10.298 1.00 0.00 C ATOM 592 O LEU A 60 0.928 -18.022 10.362 1.00 0.00 O ATOM 593 CB LEU A 60 -1.949 -16.683 11.159 1.00 0.00 C ATOM 594 CG LEU A 60 -2.853 -16.938 12.388 1.00 0.00 C ATOM 595 CD1 LEU A 60 -2.786 -15.811 13.409 1.00 0.00 C ATOM 596 CD2 LEU A 60 -4.284 -17.162 11.945 1.00 0.00 C ATOM 0 H LEU A 60 -0.956 -14.387 11.501 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.187 -16.994 12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.352 -15.830 10.613 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.023 -17.548 10.499 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.478 -17.835 12.881 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.440 -16.043 14.250 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.761 -15.703 13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.109 -14.879 12.944 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.911 -17.341 12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.643 -16.280 11.414 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.329 -18.027 11.283 1.00 0.00 H new ATOM 608 N ILE A 61 0.620 -16.079 9.283 1.00 0.00 N ATOM 609 CA ILE A 61 1.478 -16.451 8.158 1.00 0.00 C ATOM 610 C ILE A 61 2.902 -16.729 8.632 1.00 0.00 C ATOM 611 O ILE A 61 3.493 -17.766 8.311 1.00 0.00 O ATOM 612 CB ILE A 61 1.488 -15.369 7.046 1.00 0.00 C ATOM 613 CG1 ILE A 61 0.117 -15.261 6.383 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.549 -15.667 5.996 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.310 -16.515 5.637 1.00 0.00 C ATOM 0 H ILE A 61 0.208 -15.149 9.213 1.00 0.00 H new ATOM 0 HA ILE A 61 1.060 -17.362 7.729 1.00 0.00 H new ATOM 0 HB ILE A 61 1.728 -14.416 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.627 -15.034 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.126 -14.422 5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.531 -14.891 5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.531 -15.689 6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.345 -16.634 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.294 -16.358 5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.411 -16.733 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.354 -17.354 6.331 1.00 0.00 H new ATOM 627 N LEU A 62 3.438 -15.843 9.426 1.00 0.00 N ATOM 628 CA LEU A 62 4.773 -16.032 9.922 1.00 0.00 C ATOM 629 C LEU A 62 4.880 -17.136 10.937 1.00 0.00 C ATOM 630 O LEU A 62 5.941 -17.631 11.160 1.00 0.00 O ATOM 631 CB LEU A 62 5.446 -14.747 10.383 1.00 0.00 C ATOM 632 CG LEU A 62 6.319 -14.032 9.333 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.522 -14.889 8.971 1.00 0.00 C ATOM 634 CD2 LEU A 62 5.526 -13.708 8.082 1.00 0.00 C ATOM 0 H LEU A 62 2.976 -14.990 9.741 1.00 0.00 H new ATOM 0 HA LEU A 62 5.343 -16.363 9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.674 -14.055 10.718 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.067 -14.975 11.249 1.00 0.00 H new ATOM 0 HG LEU A 62 6.662 -13.096 9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.128 -14.370 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.120 -15.072 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.181 -15.840 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.171 -13.204 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.144 -14.630 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.691 -13.056 8.339 1.00 0.00 H new ATOM 646 N ASP A 63 3.792 -17.513 11.544 1.00 0.00 N ATOM 647 CA ASP A 63 3.817 -18.626 12.491 1.00 0.00 C ATOM 648 C ASP A 63 3.732 -19.943 11.723 1.00 0.00 C ATOM 649 O ASP A 63 4.233 -20.965 12.149 1.00 0.00 O ATOM 650 CB ASP A 63 2.640 -18.551 13.421 1.00 0.00 C ATOM 651 CG ASP A 63 2.834 -19.369 14.689 1.00 0.00 C ATOM 652 OD1 ASP A 63 2.627 -20.598 14.667 1.00 0.00 O ATOM 653 OD2 ASP A 63 3.188 -18.781 15.741 1.00 0.00 O ATOM 0 H ASP A 63 2.877 -17.081 11.412 1.00 0.00 H new ATOM 0 HA ASP A 63 4.742 -18.571 13.065 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.462 -17.510 13.690 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.749 -18.903 12.901 1.00 0.00 H new ATOM 658 N ALA A 64 3.075 -19.900 10.592 1.00 0.00 N ATOM 659 CA ALA A 64 2.889 -21.066 9.759 1.00 0.00 C ATOM 660 C ALA A 64 4.155 -21.396 9.004 1.00 0.00 C ATOM 661 O ALA A 64 4.477 -22.563 8.811 1.00 0.00 O ATOM 662 CB ALA A 64 1.729 -20.854 8.797 1.00 0.00 C ATOM 0 H ALA A 64 2.651 -19.051 10.219 1.00 0.00 H new ATOM 0 HA ALA A 64 2.651 -21.912 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.603 -21.742 8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.815 -20.674 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.937 -19.994 8.160 1.00 0.00 H new ATOM 668 N LEU A 65 4.892 -20.375 8.597 1.00 0.00 N ATOM 669 CA LEU A 65 6.117 -20.636 7.835 1.00 0.00 C ATOM 670 C LEU A 65 7.374 -20.353 8.629 1.00 0.00 C ATOM 671 O LEU A 65 8.370 -21.044 8.461 1.00 0.00 O ATOM 672 CB LEU A 65 6.166 -19.939 6.458 1.00 0.00 C ATOM 673 CG LEU A 65 5.043 -20.292 5.471 1.00 0.00 C ATOM 674 CD1 LEU A 65 3.842 -19.398 5.670 1.00 0.00 C ATOM 675 CD2 LEU A 65 5.528 -20.257 4.033 1.00 0.00 C ATOM 0 H LEU A 65 4.681 -19.392 8.769 1.00 0.00 H new ATOM 0 HA LEU A 65 6.082 -21.707 7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.151 -18.861 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.120 -20.178 5.989 1.00 0.00 H new ATOM 0 HG LEU A 65 4.733 -21.316 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.063 -19.671 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.463 -19.518 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.131 -18.359 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.705 -20.512 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.891 -19.257 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.336 -20.977 3.904 1.00 0.00 H new ATOM 687 N LYS A 66 7.324 -19.325 9.490 1.00 0.00 N ATOM 688 CA LYS A 66 8.447 -18.953 10.383 1.00 0.00 C ATOM 689 C LYS A 66 9.738 -18.727 9.617 1.00 0.00 C ATOM 690 O LYS A 66 10.815 -19.201 10.003 1.00 0.00 O ATOM 691 CB LYS A 66 8.600 -20.011 11.465 1.00 0.00 C ATOM 692 CG LYS A 66 7.447 -20.042 12.465 1.00 0.00 C ATOM 693 CD LYS A 66 7.354 -21.380 13.152 1.00 0.00 C ATOM 694 CE LYS A 66 6.839 -22.439 12.184 1.00 0.00 C ATOM 695 NZ LYS A 66 6.739 -23.758 12.817 1.00 0.00 N ATOM 0 H LYS A 66 6.506 -18.724 9.591 1.00 0.00 H new ATOM 0 HA LYS A 66 8.216 -17.999 10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.686 -20.990 10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.531 -19.834 12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.587 -19.258 13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.510 -19.829 11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.334 -21.670 13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.688 -21.309 14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.860 -22.142 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.506 -22.499 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.385 -24.449 12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.678 -24.054 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.083 -23.708 13.622 1.00 0.00 H new ATOM 709 N LYS A 67 9.610 -17.974 8.546 1.00 0.00 N ATOM 710 CA LYS A 67 10.725 -17.642 7.686 1.00 0.00 C ATOM 711 C LYS A 67 11.738 -16.809 8.439 1.00 0.00 C ATOM 712 O LYS A 67 12.878 -17.225 8.646 1.00 0.00 O ATOM 713 CB LYS A 67 10.237 -16.855 6.477 1.00 0.00 C ATOM 714 CG LYS A 67 9.115 -17.534 5.713 1.00 0.00 C ATOM 715 CD LYS A 67 8.772 -16.789 4.445 1.00 0.00 C ATOM 716 CE LYS A 67 7.641 -17.472 3.707 1.00 0.00 C ATOM 717 NZ LYS A 67 7.365 -16.852 2.400 1.00 0.00 N ATOM 0 H LYS A 67 8.722 -17.572 8.245 1.00 0.00 H new ATOM 0 HA LYS A 67 11.192 -18.570 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.896 -15.874 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.076 -16.690 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.408 -18.555 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.231 -17.600 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.488 -15.764 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.650 -16.734 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.889 -18.523 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.740 -17.439 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.033 -17.579 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.632 -16.122 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.235 -16.417 2.032 1.00 0.00 H new ATOM 731 N ASP A 68 11.310 -15.638 8.873 1.00 0.00 N ATOM 732 CA ASP A 68 12.184 -14.718 9.570 1.00 0.00 C ATOM 733 C ASP A 68 11.385 -13.886 10.496 1.00 0.00 C ATOM 734 O ASP A 68 10.297 -13.434 10.144 1.00 0.00 O ATOM 735 CB ASP A 68 12.932 -13.749 8.630 1.00 0.00 C ATOM 736 CG ASP A 68 13.859 -14.363 7.619 1.00 0.00 C ATOM 737 OD1 ASP A 68 13.398 -14.669 6.500 1.00 0.00 O ATOM 738 OD2 ASP A 68 15.063 -14.464 7.876 1.00 0.00 O ATOM 0 H ASP A 68 10.355 -15.301 8.753 1.00 0.00 H new ATOM 0 HA ASP A 68 12.918 -15.336 10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.191 -13.156 8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.509 -13.058 9.244 1.00 0.00 H new ATOM 743 N SER A 69 11.914 -13.670 11.645 1.00 0.00 N ATOM 744 CA SER A 69 11.312 -12.824 12.614 1.00 0.00 C ATOM 745 C SER A 69 11.597 -11.358 12.265 1.00 0.00 C ATOM 746 O SER A 69 10.764 -10.475 12.483 1.00 0.00 O ATOM 747 CB SER A 69 11.869 -13.205 13.975 1.00 0.00 C ATOM 748 OG SER A 69 13.289 -13.312 13.902 1.00 0.00 O ATOM 0 H SER A 69 12.796 -14.084 11.946 1.00 0.00 H new ATOM 0 HA SER A 69 10.229 -12.945 12.629 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.589 -12.456 14.716 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.440 -14.152 14.302 1.00 0.00 H new ATOM 0 HG SER A 69 13.644 -13.556 14.782 1.00 0.00 H new ATOM 754 N SER A 70 12.758 -11.125 11.661 1.00 0.00 N ATOM 755 CA SER A 70 13.178 -9.797 11.289 1.00 0.00 C ATOM 756 C SER A 70 12.271 -9.218 10.198 1.00 0.00 C ATOM 757 O SER A 70 11.932 -8.035 10.234 1.00 0.00 O ATOM 758 CB SER A 70 14.641 -9.811 10.841 1.00 0.00 C ATOM 759 OG SER A 70 15.132 -8.498 10.623 1.00 0.00 O ATOM 0 H SER A 70 13.427 -11.857 11.420 1.00 0.00 H new ATOM 0 HA SER A 70 13.093 -9.151 12.163 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.249 -10.307 11.598 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.736 -10.393 9.924 1.00 0.00 H new ATOM 0 HG SER A 70 16.069 -8.542 10.339 1.00 0.00 H new ATOM 765 N ARG A 71 11.834 -10.061 9.251 1.00 0.00 N ATOM 766 CA ARG A 71 10.971 -9.584 8.197 1.00 0.00 C ATOM 767 C ARG A 71 9.612 -9.247 8.798 1.00 0.00 C ATOM 768 O ARG A 71 9.034 -8.233 8.498 1.00 0.00 O ATOM 769 CB ARG A 71 10.810 -10.625 7.080 1.00 0.00 C ATOM 770 CG ARG A 71 10.035 -11.847 7.490 1.00 0.00 C ATOM 771 CD ARG A 71 9.734 -12.735 6.356 1.00 0.00 C ATOM 772 NE ARG A 71 10.909 -13.412 5.783 1.00 0.00 N ATOM 773 CZ ARG A 71 10.997 -13.854 4.518 1.00 0.00 C ATOM 774 NH1 ARG A 71 10.159 -13.422 3.589 1.00 0.00 N ATOM 775 NH2 ARG A 71 11.989 -14.648 4.186 1.00 0.00 N ATOM 0 H ARG A 71 12.066 -11.053 9.205 1.00 0.00 H new ATOM 0 HA ARG A 71 11.420 -8.697 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.310 -10.158 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.798 -10.932 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.604 -12.399 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.102 -11.539 7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.018 -13.490 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.248 -12.152 5.573 1.00 0.00 H new ATOM 0 HE ARG A 71 11.715 -13.556 6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.435 -12.745 3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.237 -13.766 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.680 -14.921 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.069 -14.992 3.229 1.00 0.00 H new ATOM 789 N HIS A 72 9.155 -10.133 9.682 1.00 0.00 N ATOM 790 CA HIS A 72 7.898 -10.018 10.390 1.00 0.00 C ATOM 791 C HIS A 72 7.806 -8.695 11.153 1.00 0.00 C ATOM 792 O HIS A 72 6.771 -8.030 11.135 1.00 0.00 O ATOM 793 CB HIS A 72 7.768 -11.208 11.358 1.00 0.00 C ATOM 794 CG HIS A 72 6.434 -11.315 12.044 1.00 0.00 C ATOM 795 ND1 HIS A 72 6.265 -11.263 13.400 1.00 0.00 N ATOM 796 CD2 HIS A 72 5.201 -11.509 11.527 1.00 0.00 C ATOM 797 CE1 HIS A 72 4.969 -11.424 13.665 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.276 -11.577 12.560 1.00 0.00 N ATOM 0 H HIS A 72 9.674 -10.976 9.927 1.00 0.00 H new ATOM 0 HA HIS A 72 7.080 -10.032 9.669 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.953 -12.130 10.806 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.547 -11.129 12.117 1.00 0.00 H new ATOM 0 HD1 HIS A 72 7.004 -11.125 14.090 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.971 -11.597 10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.544 -11.428 14.658 1.00 0.00 H new ATOM 806 N SER A 73 8.902 -8.302 11.762 1.00 0.00 N ATOM 807 CA SER A 73 8.953 -7.116 12.589 1.00 0.00 C ATOM 808 C SER A 73 9.078 -5.821 11.767 1.00 0.00 C ATOM 809 O SER A 73 9.121 -4.718 12.331 1.00 0.00 O ATOM 810 CB SER A 73 10.086 -7.257 13.625 1.00 0.00 C ATOM 811 OG SER A 73 10.136 -6.159 14.530 1.00 0.00 O ATOM 0 H SER A 73 9.790 -8.800 11.697 1.00 0.00 H new ATOM 0 HA SER A 73 8.003 -7.031 13.117 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.948 -8.181 14.187 1.00 0.00 H new ATOM 0 HB3 SER A 73 11.041 -7.340 13.106 1.00 0.00 H new ATOM 0 HG SER A 73 9.744 -5.367 14.106 1.00 0.00 H new ATOM 817 N LYS A 74 9.092 -5.947 10.467 1.00 0.00 N ATOM 818 CA LYS A 74 9.206 -4.802 9.576 1.00 0.00 C ATOM 819 C LYS A 74 8.560 -5.160 8.235 1.00 0.00 C ATOM 820 O LYS A 74 9.063 -4.857 7.135 1.00 0.00 O ATOM 821 CB LYS A 74 10.691 -4.363 9.452 1.00 0.00 C ATOM 822 CG LYS A 74 10.999 -3.078 8.626 1.00 0.00 C ATOM 823 CD LYS A 74 10.182 -1.829 9.031 1.00 0.00 C ATOM 824 CE LYS A 74 8.856 -1.756 8.272 1.00 0.00 C ATOM 825 NZ LYS A 74 8.080 -0.538 8.560 1.00 0.00 N ATOM 0 H LYS A 74 9.025 -6.844 9.986 1.00 0.00 H new ATOM 0 HA LYS A 74 8.674 -3.940 9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.083 -4.217 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.249 -5.188 9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.060 -2.847 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.814 -3.288 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.988 -1.852 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.766 -0.931 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.056 -1.805 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.254 -2.629 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.488 -0.301 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.473 -0.701 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.730 0.250 8.757 1.00 0.00 H new ATOM 839 N LEU A 75 7.422 -5.772 8.348 1.00 0.00 N ATOM 840 CA LEU A 75 6.636 -6.156 7.216 1.00 0.00 C ATOM 841 C LEU A 75 5.840 -4.982 6.702 1.00 0.00 C ATOM 842 O LEU A 75 5.036 -4.403 7.427 1.00 0.00 O ATOM 843 CB LEU A 75 5.690 -7.296 7.586 1.00 0.00 C ATOM 844 CG LEU A 75 6.201 -8.725 7.417 1.00 0.00 C ATOM 845 CD1 LEU A 75 5.237 -9.707 8.060 1.00 0.00 C ATOM 846 CD2 LEU A 75 6.342 -9.062 5.942 1.00 0.00 C ATOM 0 H LEU A 75 7.006 -6.023 9.245 1.00 0.00 H new ATOM 0 HA LEU A 75 7.313 -6.496 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.398 -7.165 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.786 -7.190 6.986 1.00 0.00 H new ATOM 0 HG LEU A 75 7.174 -8.800 7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.613 -10.722 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.146 -9.484 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.259 -9.620 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.707 -10.083 5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.372 -8.971 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.048 -8.374 5.477 1.00 0.00 H new ATOM 858 N GLU A 76 6.092 -4.611 5.479 1.00 0.00 N ATOM 859 CA GLU A 76 5.312 -3.585 4.836 1.00 0.00 C ATOM 860 C GLU A 76 4.103 -4.215 4.210 1.00 0.00 C ATOM 861 O GLU A 76 4.141 -5.394 3.879 1.00 0.00 O ATOM 862 CB GLU A 76 6.131 -2.808 3.813 1.00 0.00 C ATOM 863 CG GLU A 76 7.131 -1.863 4.459 1.00 0.00 C ATOM 864 CD GLU A 76 6.433 -0.777 5.260 1.00 0.00 C ATOM 865 OE1 GLU A 76 5.872 0.145 4.654 1.00 0.00 O ATOM 866 OE2 GLU A 76 6.400 -0.852 6.510 1.00 0.00 O ATOM 0 H GLU A 76 6.835 -5.005 4.902 1.00 0.00 H new ATOM 0 HA GLU A 76 4.994 -2.860 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.663 -3.510 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.458 -2.237 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.797 -2.427 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.752 -1.406 3.688 1.00 0.00 H new ATOM 873 N LYS A 77 3.047 -3.429 4.032 1.00 0.00 N ATOM 874 CA LYS A 77 1.748 -3.915 3.547 1.00 0.00 C ATOM 875 C LYS A 77 1.863 -4.873 2.370 1.00 0.00 C ATOM 876 O LYS A 77 1.390 -5.992 2.428 1.00 0.00 O ATOM 877 CB LYS A 77 0.854 -2.750 3.164 1.00 0.00 C ATOM 878 CG LYS A 77 -0.509 -3.206 2.675 1.00 0.00 C ATOM 879 CD LYS A 77 -1.505 -2.070 2.475 1.00 0.00 C ATOM 880 CE LYS A 77 -1.549 -1.084 3.625 1.00 0.00 C ATOM 881 NZ LYS A 77 -1.981 -1.671 4.905 1.00 0.00 N ATOM 0 H LYS A 77 3.062 -2.427 4.220 1.00 0.00 H new ATOM 0 HA LYS A 77 1.308 -4.472 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.728 -2.094 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.340 -2.163 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.386 -3.739 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.922 -3.916 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.252 -1.535 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.500 -2.492 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.558 -0.648 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.225 -0.269 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.116 -0.915 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.877 -2.180 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.255 -2.333 5.246 1.00 0.00 H new ATOM 895 N ALA A 78 2.531 -4.415 1.345 1.00 0.00 N ATOM 896 CA ALA A 78 2.747 -5.158 0.099 1.00 0.00 C ATOM 897 C ALA A 78 3.383 -6.526 0.338 1.00 0.00 C ATOM 898 O ALA A 78 3.062 -7.504 -0.334 1.00 0.00 O ATOM 899 CB ALA A 78 3.663 -4.344 -0.783 1.00 0.00 C ATOM 0 H ALA A 78 2.959 -3.489 1.338 1.00 0.00 H new ATOM 0 HA ALA A 78 1.776 -5.324 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.838 -4.878 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.200 -3.381 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.613 -4.185 -0.273 1.00 0.00 H new ATOM 905 N ASP A 79 4.221 -6.578 1.338 1.00 0.00 N ATOM 906 CA ASP A 79 5.040 -7.753 1.628 1.00 0.00 C ATOM 907 C ASP A 79 4.198 -8.771 2.352 1.00 0.00 C ATOM 908 O ASP A 79 4.307 -9.978 2.133 1.00 0.00 O ATOM 909 CB ASP A 79 6.239 -7.321 2.476 1.00 0.00 C ATOM 910 CG ASP A 79 7.399 -8.305 2.444 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.743 -8.828 1.349 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.027 -8.519 3.481 1.00 0.00 O ATOM 0 H ASP A 79 4.365 -5.805 1.988 1.00 0.00 H new ATOM 0 HA ASP A 79 5.410 -8.205 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.589 -6.350 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.914 -7.190 3.508 1.00 0.00 H new ATOM 917 N ILE A 80 3.311 -8.252 3.163 1.00 0.00 N ATOM 918 CA ILE A 80 2.395 -9.036 3.963 1.00 0.00 C ATOM 919 C ILE A 80 1.316 -9.643 3.083 1.00 0.00 C ATOM 920 O ILE A 80 1.081 -10.851 3.131 1.00 0.00 O ATOM 921 CB ILE A 80 1.724 -8.136 5.015 1.00 0.00 C ATOM 922 CG1 ILE A 80 2.784 -7.471 5.855 1.00 0.00 C ATOM 923 CG2 ILE A 80 0.796 -8.954 5.894 1.00 0.00 C ATOM 924 CD1 ILE A 80 2.292 -6.327 6.693 1.00 0.00 C ATOM 0 H ILE A 80 3.201 -7.246 3.291 1.00 0.00 H new ATOM 0 HA ILE A 80 2.956 -9.831 4.453 1.00 0.00 H new ATOM 0 HB ILE A 80 1.134 -7.372 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.231 -8.218 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.575 -7.109 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.328 -8.304 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.025 -9.416 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.367 -9.730 6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.122 -5.910 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.873 -5.556 6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.523 -6.683 7.379 1.00 0.00 H new ATOM 936 N LEU A 81 0.686 -8.787 2.260 1.00 0.00 N ATOM 937 CA LEU A 81 -0.414 -9.197 1.380 1.00 0.00 C ATOM 938 C LEU A 81 0.037 -10.351 0.522 1.00 0.00 C ATOM 939 O LEU A 81 -0.633 -11.389 0.447 1.00 0.00 O ATOM 940 CB LEU A 81 -0.847 -8.054 0.446 1.00 0.00 C ATOM 941 CG LEU A 81 -1.169 -6.694 1.068 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.614 -5.732 -0.007 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.218 -6.793 2.172 1.00 0.00 C ATOM 0 H LEU A 81 0.926 -7.798 2.189 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.256 -9.479 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.055 -7.905 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.729 -8.387 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.258 -6.320 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.842 -4.765 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.817 -5.613 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.505 -6.123 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.411 -5.801 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.141 -7.202 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.852 -7.447 2.964 1.00 0.00 H new ATOM 955 N GLU A 82 1.204 -10.169 -0.079 1.00 0.00 N ATOM 956 CA GLU A 82 1.824 -11.138 -0.936 1.00 0.00 C ATOM 957 C GLU A 82 2.032 -12.447 -0.225 1.00 0.00 C ATOM 958 O GLU A 82 1.635 -13.464 -0.712 1.00 0.00 O ATOM 959 CB GLU A 82 3.154 -10.588 -1.423 1.00 0.00 C ATOM 960 CG GLU A 82 4.026 -11.537 -2.157 1.00 0.00 C ATOM 961 CD GLU A 82 5.256 -10.859 -2.650 1.00 0.00 C ATOM 962 OE1 GLU A 82 5.163 -10.046 -3.586 1.00 0.00 O ATOM 963 OE2 GLU A 82 6.351 -11.102 -2.094 1.00 0.00 O ATOM 0 H GLU A 82 1.752 -9.315 0.027 1.00 0.00 H new ATOM 0 HA GLU A 82 1.166 -11.327 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.955 -9.734 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.706 -10.212 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.300 -12.365 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.479 -11.963 -2.998 1.00 0.00 H new ATOM 970 N MET A 83 2.592 -12.374 0.947 1.00 0.00 N ATOM 971 CA MET A 83 2.980 -13.519 1.754 1.00 0.00 C ATOM 972 C MET A 83 1.790 -14.480 1.952 1.00 0.00 C ATOM 973 O MET A 83 1.957 -15.704 1.871 1.00 0.00 O ATOM 974 CB MET A 83 3.514 -13.031 3.104 1.00 0.00 C ATOM 975 CG MET A 83 4.482 -13.981 3.786 1.00 0.00 C ATOM 976 SD MET A 83 6.052 -14.165 2.898 1.00 0.00 S ATOM 977 CE MET A 83 6.638 -12.464 2.881 1.00 0.00 C ATOM 0 H MET A 83 2.804 -11.483 1.395 1.00 0.00 H new ATOM 0 HA MET A 83 3.766 -14.069 1.236 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.011 -12.072 2.957 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.670 -12.854 3.771 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.683 -13.621 4.795 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.011 -14.959 3.885 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.707 -12.449 2.667 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.106 -11.904 2.112 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.456 -12.007 3.854 1.00 0.00 H new ATOM 987 N THR A 84 0.599 -13.918 2.171 1.00 0.00 N ATOM 988 CA THR A 84 -0.627 -14.699 2.280 1.00 0.00 C ATOM 989 C THR A 84 -0.963 -15.374 0.942 1.00 0.00 C ATOM 990 O THR A 84 -1.243 -16.570 0.895 1.00 0.00 O ATOM 991 CB THR A 84 -1.798 -13.796 2.679 1.00 0.00 C ATOM 992 OG1 THR A 84 -1.315 -12.458 2.838 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.422 -14.261 3.982 1.00 0.00 C ATOM 0 H THR A 84 0.462 -12.913 2.277 1.00 0.00 H new ATOM 0 HA THR A 84 -0.469 -15.462 3.042 1.00 0.00 H new ATOM 0 HB THR A 84 -2.558 -13.839 1.899 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.194 -12.047 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.251 -13.603 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.790 -15.280 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.674 -14.234 4.774 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.880 -14.596 -0.146 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.157 -15.082 -1.514 1.00 0.00 C ATOM 1003 C VAL A 85 -0.211 -16.255 -1.819 1.00 0.00 C ATOM 1004 O VAL A 85 -0.595 -17.297 -2.361 1.00 0.00 O ATOM 1005 CB VAL A 85 -0.832 -13.984 -2.569 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.262 -14.396 -3.957 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.398 -12.626 -2.243 1.00 0.00 C ATOM 0 H VAL A 85 -0.619 -13.611 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.209 -15.364 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 85 0.253 -13.888 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.018 -13.603 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.741 -15.310 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.338 -14.573 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.126 -11.920 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.484 -12.691 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.994 -12.283 -1.290 1.00 0.00 H new ATOM 1017 N LYS A 86 1.027 -16.056 -1.449 1.00 0.00 N ATOM 1018 CA LYS A 86 2.086 -16.996 -1.678 1.00 0.00 C ATOM 1019 C LYS A 86 1.859 -18.287 -0.872 1.00 0.00 C ATOM 1020 O LYS A 86 2.097 -19.395 -1.365 1.00 0.00 O ATOM 1021 CB LYS A 86 3.428 -16.341 -1.338 1.00 0.00 C ATOM 1022 CG LYS A 86 3.655 -15.012 -2.076 1.00 0.00 C ATOM 1023 CD LYS A 86 3.586 -15.152 -3.561 1.00 0.00 C ATOM 1024 CE LYS A 86 4.660 -14.348 -4.296 1.00 0.00 C ATOM 1025 NZ LYS A 86 6.025 -14.825 -3.995 1.00 0.00 N ATOM 0 H LYS A 86 1.332 -15.211 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 86 2.097 -17.280 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.478 -16.166 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.235 -17.030 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.908 -14.289 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.630 -14.610 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.686 -16.205 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.603 -14.830 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.485 -14.410 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.576 -13.297 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.674 -14.518 -4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.338 -14.430 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.026 -15.864 -3.940 1.00 0.00 H new ATOM 1039 N HIS A 87 1.337 -18.131 0.340 1.00 0.00 N ATOM 1040 CA HIS A 87 1.038 -19.258 1.221 1.00 0.00 C ATOM 1041 C HIS A 87 -0.198 -20.013 0.713 1.00 0.00 C ATOM 1042 O HIS A 87 -0.319 -21.228 0.915 1.00 0.00 O ATOM 1043 CB HIS A 87 0.862 -18.764 2.676 1.00 0.00 C ATOM 1044 CG HIS A 87 0.635 -19.835 3.726 1.00 0.00 C ATOM 1045 ND1 HIS A 87 1.507 -20.882 3.984 1.00 0.00 N ATOM 1046 CD2 HIS A 87 -0.376 -19.978 4.619 1.00 0.00 C ATOM 1047 CE1 HIS A 87 1.013 -21.594 4.995 1.00 0.00 C ATOM 1048 NE2 HIS A 87 -0.126 -21.093 5.423 1.00 0.00 N ATOM 0 H HIS A 87 1.109 -17.221 0.741 1.00 0.00 H new ATOM 0 HA HIS A 87 1.873 -19.958 1.213 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.749 -18.195 2.954 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.019 -18.074 2.703 1.00 0.00 H new ATOM 0 HD1 HIS A 87 2.376 -21.073 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.238 -19.332 4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.487 -22.471 5.411 1.00 0.00 H new ATOM 1056 N LEU A 88 -1.082 -19.288 0.020 1.00 0.00 N ATOM 1057 CA LEU A 88 -2.258 -19.873 -0.622 1.00 0.00 C ATOM 1058 C LEU A 88 -1.800 -20.936 -1.593 1.00 0.00 C ATOM 1059 O LEU A 88 -2.258 -22.067 -1.525 1.00 0.00 O ATOM 1060 CB LEU A 88 -3.123 -18.754 -1.312 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.429 -19.138 -2.101 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -4.137 -19.776 -3.459 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -5.333 -20.044 -1.278 1.00 0.00 C ATOM 0 H LEU A 88 -1.000 -18.280 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.903 -20.344 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.411 -18.044 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.471 -18.223 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.950 -18.199 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.076 -20.019 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.570 -19.078 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.556 -20.687 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.225 -20.289 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.799 -20.961 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.623 -19.532 -0.360 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.852 -20.579 -2.465 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.300 -21.550 -3.414 1.00 0.00 C ATOM 1077 C ARG A 89 0.318 -22.721 -2.683 1.00 0.00 C ATOM 1078 O ARG A 89 0.045 -23.860 -3.015 1.00 0.00 O ATOM 1079 CB ARG A 89 0.740 -20.954 -4.380 1.00 0.00 C ATOM 1080 CG ARG A 89 0.196 -20.107 -5.525 1.00 0.00 C ATOM 1081 CD ARG A 89 -0.401 -18.796 -5.060 1.00 0.00 C ATOM 1082 NE ARG A 89 -0.845 -17.950 -6.185 1.00 0.00 N ATOM 1083 CZ ARG A 89 -0.405 -16.689 -6.431 1.00 0.00 C ATOM 1084 NH1 ARG A 89 0.687 -16.222 -5.799 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -0.999 -15.939 -7.356 1.00 0.00 N ATOM 0 H ARG A 89 -0.456 -19.641 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.147 -21.880 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.432 -20.342 -3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.319 -21.773 -4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.000 -19.903 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.564 -20.676 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.248 -18.998 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.337 -18.253 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.535 -18.342 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.185 -16.815 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.017 -15.275 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.789 -16.311 -7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.665 -14.992 -7.537 1.00 0.00 H new ATOM 1099 N ASN A 90 1.096 -22.420 -1.643 1.00 0.00 N ATOM 1100 CA ASN A 90 1.807 -23.438 -0.853 1.00 0.00 C ATOM 1101 C ASN A 90 0.861 -24.479 -0.314 1.00 0.00 C ATOM 1102 O ASN A 90 1.047 -25.676 -0.538 1.00 0.00 O ATOM 1103 CB ASN A 90 2.580 -22.821 0.318 1.00 0.00 C ATOM 1104 CG ASN A 90 3.723 -21.922 -0.101 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.321 -22.097 -1.158 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.051 -20.976 0.730 1.00 0.00 N ATOM 0 H ASN A 90 1.254 -21.465 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 90 2.515 -23.908 -1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.888 -22.247 0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.973 -23.623 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.827 -20.351 0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.532 -20.859 1.600 1.00 0.00 H new ATOM 1113 N LEU A 91 -0.186 -24.026 0.349 1.00 0.00 N ATOM 1114 CA LEU A 91 -1.160 -24.921 0.934 1.00 0.00 C ATOM 1115 C LEU A 91 -2.026 -25.600 -0.112 1.00 0.00 C ATOM 1116 O LEU A 91 -2.665 -26.587 0.169 1.00 0.00 O ATOM 1117 CB LEU A 91 -2.038 -24.188 1.916 1.00 0.00 C ATOM 1118 CG LEU A 91 -1.382 -23.670 3.183 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -2.386 -22.858 3.961 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.876 -24.828 4.038 1.00 0.00 C ATOM 0 H LEU A 91 -0.382 -23.036 0.495 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.596 -25.695 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.489 -23.341 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.851 -24.854 2.205 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.530 -23.046 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.922 -22.482 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.724 -22.018 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.239 -23.485 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.409 -24.436 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.713 -25.471 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.144 -25.405 3.473 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.054 -25.068 -1.299 1.00 0.00 N ATOM 1133 CA GLN A 92 -2.817 -25.662 -2.373 1.00 0.00 C ATOM 1134 C GLN A 92 -2.021 -26.735 -3.118 1.00 0.00 C ATOM 1135 O GLN A 92 -2.587 -27.619 -3.754 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.336 -24.576 -3.318 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.511 -23.788 -2.762 1.00 0.00 C ATOM 1138 CD GLN A 92 -5.774 -24.597 -2.636 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -5.760 -25.809 -2.424 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -6.873 -23.941 -2.752 1.00 0.00 N ATOM 0 H GLN A 92 -1.555 -24.216 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.676 -26.170 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.523 -23.886 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.634 -25.038 -4.259 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.242 -23.394 -1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.701 -22.931 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.851 -22.936 -2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.767 -24.425 -2.668 1.00 0.00 H new ATOM 1149 N ARG A 93 -0.718 -26.675 -3.020 1.00 0.00 N ATOM 1150 CA ARG A 93 0.145 -27.647 -3.692 1.00 0.00 C ATOM 1151 C ARG A 93 0.822 -28.553 -2.691 1.00 0.00 C ATOM 1152 O ARG A 93 1.691 -29.343 -3.036 1.00 0.00 O ATOM 1153 CB ARG A 93 1.163 -26.937 -4.607 1.00 0.00 C ATOM 1154 CG ARG A 93 2.036 -25.905 -3.911 1.00 0.00 C ATOM 1155 CD ARG A 93 3.269 -26.482 -3.232 1.00 0.00 C ATOM 1156 NE ARG A 93 4.053 -25.426 -2.584 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.963 -25.611 -1.622 1.00 0.00 C ATOM 1158 NH1 ARG A 93 5.267 -26.830 -1.215 1.00 0.00 N ATOM 1159 NH2 ARG A 93 5.561 -24.570 -1.070 1.00 0.00 N ATOM 0 H ARG A 93 -0.218 -25.966 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.478 -28.277 -4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.807 -27.689 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.622 -26.448 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.353 -25.162 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.436 -25.383 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.968 -27.223 -2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.886 -26.999 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 93 3.890 -24.468 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.807 -27.638 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.962 -26.964 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.328 -23.626 -1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.255 -24.711 -0.336 1.00 0.00 H new ATOM 1173 N ALA A 94 0.390 -28.462 -1.447 1.00 0.00 N ATOM 1174 CA ALA A 94 0.956 -29.278 -0.383 1.00 0.00 C ATOM 1175 C ALA A 94 0.461 -30.709 -0.506 1.00 0.00 C ATOM 1176 O ALA A 94 0.958 -31.612 0.144 1.00 0.00 O ATOM 1177 CB ALA A 94 0.611 -28.701 0.978 1.00 0.00 C ATOM 0 H ALA A 94 -0.352 -27.831 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 94 2.042 -29.277 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.044 -29.326 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.013 -27.691 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.472 -28.671 1.096 1.00 0.00 H new ATOM 1485 N GLU B 43 8.015 4.024 -2.148 1.00 0.00 N ATOM 1486 CA GLU B 43 6.681 3.835 -1.629 1.00 0.00 C ATOM 1487 C GLU B 43 5.667 3.792 -2.748 1.00 0.00 C ATOM 1488 O GLU B 43 4.590 3.242 -2.585 1.00 0.00 O ATOM 1489 CB GLU B 43 6.293 4.837 -0.541 1.00 0.00 C ATOM 1490 CG GLU B 43 6.162 6.266 -0.992 1.00 0.00 C ATOM 1491 CD GLU B 43 5.750 7.160 0.141 1.00 0.00 C ATOM 1492 OE1 GLU B 43 6.627 7.662 0.890 1.00 0.00 O ATOM 1493 OE2 GLU B 43 4.547 7.378 0.323 1.00 0.00 O ATOM 0 HA GLU B 43 6.682 2.865 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU B 43 5.344 4.524 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU B 43 7.039 4.792 0.252 1.00 0.00 H new ATOM 0 HG2 GLU B 43 7.112 6.609 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU B 43 5.427 6.330 -1.795 1.00 0.00 H new ATOM 1500 N LYS B 44 6.019 4.348 -3.897 1.00 0.00 N ATOM 1501 CA LYS B 44 5.164 4.217 -5.062 1.00 0.00 C ATOM 1502 C LYS B 44 5.188 2.787 -5.546 1.00 0.00 C ATOM 1503 O LYS B 44 4.150 2.198 -5.875 1.00 0.00 O ATOM 1504 CB LYS B 44 5.579 5.145 -6.180 1.00 0.00 C ATOM 1505 CG LYS B 44 5.006 6.542 -6.075 1.00 0.00 C ATOM 1506 CD LYS B 44 5.179 7.305 -7.380 1.00 0.00 C ATOM 1507 CE LYS B 44 6.635 7.633 -7.694 1.00 0.00 C ATOM 1508 NZ LYS B 44 7.180 8.640 -6.767 1.00 0.00 N ATOM 0 H LYS B 44 6.874 4.884 -4.045 1.00 0.00 H new ATOM 0 HA LYS B 44 4.153 4.496 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS B 44 6.667 5.211 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS B 44 5.272 4.709 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS B 44 3.948 6.486 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS B 44 5.500 7.081 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS B 44 4.762 6.716 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS B 44 4.607 8.231 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS B 44 7.233 6.724 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS B 44 6.712 8.001 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 8.122 8.937 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 6.547 9.465 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 7.255 8.230 -5.814 1.00 0.00 H new ATOM 1522 N ARG B 45 6.369 2.223 -5.545 1.00 0.00 N ATOM 1523 CA ARG B 45 6.571 0.844 -5.939 1.00 0.00 C ATOM 1524 C ARG B 45 5.903 -0.083 -4.928 1.00 0.00 C ATOM 1525 O ARG B 45 5.311 -1.105 -5.297 1.00 0.00 O ATOM 1526 CB ARG B 45 8.055 0.557 -6.042 1.00 0.00 C ATOM 1527 CG ARG B 45 8.753 1.427 -7.070 1.00 0.00 C ATOM 1528 CD ARG B 45 10.244 1.236 -7.028 1.00 0.00 C ATOM 1529 NE ARG B 45 10.634 -0.141 -7.381 1.00 0.00 N ATOM 1530 CZ ARG B 45 11.867 -0.655 -7.260 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.856 0.082 -6.768 1.00 0.00 N ATOM 1532 NH2 ARG B 45 12.103 -1.909 -7.637 1.00 0.00 N ATOM 0 H ARG B 45 7.224 2.706 -5.270 1.00 0.00 H new ATOM 0 HA ARG B 45 6.118 0.669 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.519 0.711 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG B 45 8.200 -0.492 -6.302 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.382 1.185 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG B 45 8.513 2.474 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG B 45 10.719 1.935 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG B 45 10.612 1.472 -6.030 1.00 0.00 H new ATOM 0 HE ARG B 45 9.906 -0.754 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG B 45 12.680 1.044 -6.480 1.00 0.00 H new ATOM 0 HH12 ARG B 45 13.792 -0.314 -6.678 1.00 0.00 H new ATOM 0 HH21 ARG B 45 11.347 -2.478 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG B 45 13.040 -2.301 -7.546 1.00 0.00 H new ATOM 1546 N ARG B 46 5.996 0.291 -3.651 1.00 0.00 N ATOM 1547 CA ARG B 46 5.317 -0.415 -2.579 1.00 0.00 C ATOM 1548 C ARG B 46 3.831 -0.402 -2.850 1.00 0.00 C ATOM 1549 O ARG B 46 3.195 -1.435 -2.880 1.00 0.00 O ATOM 1550 CB ARG B 46 5.566 0.275 -1.230 1.00 0.00 C ATOM 1551 CG ARG B 46 4.844 -0.394 -0.067 1.00 0.00 C ATOM 1552 CD ARG B 46 4.985 0.376 1.231 1.00 0.00 C ATOM 1553 NE ARG B 46 4.351 1.702 1.215 1.00 0.00 N ATOM 1554 CZ ARG B 46 4.120 2.465 2.317 1.00 0.00 C ATOM 1555 NH1 ARG B 46 4.549 2.089 3.515 1.00 0.00 N ATOM 1556 NH2 ARG B 46 3.476 3.613 2.200 1.00 0.00 N ATOM 0 H ARG B 46 6.545 1.092 -3.338 1.00 0.00 H new ATOM 0 HA ARG B 46 5.699 -1.435 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.637 0.284 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG B 46 5.246 1.315 -1.297 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.787 -0.495 -0.311 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.238 -1.401 0.068 1.00 0.00 H new ATOM 0 HD2 ARG B 46 4.551 -0.213 2.039 1.00 0.00 H new ATOM 0 HD3 ARG B 46 6.045 0.495 1.457 1.00 0.00 H new ATOM 0 HE ARG B 46 4.063 2.077 0.311 1.00 0.00 H new ATOM 0 HH11 ARG B 46 5.062 1.214 3.621 1.00 0.00 H new ATOM 0 HH12 ARG B 46 4.366 2.675 4.329 1.00 0.00 H new ATOM 0 HH21 ARG B 46 3.153 3.926 1.284 1.00 0.00 H new ATOM 0 HH22 ARG B 46 3.302 4.186 3.025 1.00 0.00 H new ATOM 1570 N ARG B 47 3.318 0.802 -3.050 1.00 0.00 N ATOM 1571 CA ARG B 47 1.910 1.076 -3.323 1.00 0.00 C ATOM 1572 C ARG B 47 1.367 0.173 -4.437 1.00 0.00 C ATOM 1573 O ARG B 47 0.308 -0.437 -4.293 1.00 0.00 O ATOM 1574 CB ARG B 47 1.737 2.549 -3.716 1.00 0.00 C ATOM 1575 CG ARG B 47 0.303 3.021 -3.851 1.00 0.00 C ATOM 1576 CD ARG B 47 0.255 4.503 -4.198 1.00 0.00 C ATOM 1577 NE ARG B 47 0.838 4.793 -5.523 1.00 0.00 N ATOM 1578 CZ ARG B 47 1.173 6.020 -5.969 1.00 0.00 C ATOM 1579 NH1 ARG B 47 1.089 7.072 -5.158 1.00 0.00 N ATOM 1580 NH2 ARG B 47 1.618 6.172 -7.215 1.00 0.00 N ATOM 0 H ARG B 47 3.888 1.647 -3.026 1.00 0.00 H new ATOM 0 HA ARG B 47 1.343 0.867 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG B 47 2.237 3.168 -2.971 1.00 0.00 H new ATOM 0 HB3 ARG B 47 2.248 2.717 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -0.204 2.445 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -0.233 2.843 -2.919 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -0.780 4.844 -4.178 1.00 0.00 H new ATOM 0 HD3 ARG B 47 0.792 5.069 -3.437 1.00 0.00 H new ATOM 0 HE ARG B 47 1.000 4.004 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG B 47 0.771 6.951 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG B 47 1.343 8.000 -5.498 1.00 0.00 H new ATOM 0 HH21 ARG B 47 1.704 5.361 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG B 47 1.872 7.099 -7.556 1.00 0.00 H new ATOM 1594 N ALA B 48 2.110 0.089 -5.528 1.00 0.00 N ATOM 1595 CA ALA B 48 1.752 -0.742 -6.655 1.00 0.00 C ATOM 1596 C ALA B 48 1.681 -2.195 -6.236 1.00 0.00 C ATOM 1597 O ALA B 48 0.673 -2.846 -6.457 1.00 0.00 O ATOM 1598 CB ALA B 48 2.748 -0.561 -7.785 1.00 0.00 C ATOM 0 H ALA B 48 2.983 0.601 -5.653 1.00 0.00 H new ATOM 0 HA ALA B 48 0.768 -0.437 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.464 -1.194 -8.626 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.753 0.482 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA B 48 3.744 -0.841 -7.441 1.00 0.00 H new ATOM 1604 N ARG B 49 2.723 -2.661 -5.549 1.00 0.00 N ATOM 1605 CA ARG B 49 2.810 -4.048 -5.094 1.00 0.00 C ATOM 1606 C ARG B 49 1.663 -4.361 -4.120 1.00 0.00 C ATOM 1607 O ARG B 49 1.188 -5.493 -4.063 1.00 0.00 O ATOM 1608 CB ARG B 49 4.189 -4.321 -4.456 1.00 0.00 C ATOM 1609 CG ARG B 49 4.450 -5.773 -4.031 1.00 0.00 C ATOM 1610 CD ARG B 49 5.834 -5.903 -3.392 1.00 0.00 C ATOM 1611 NE ARG B 49 6.075 -7.224 -2.785 1.00 0.00 N ATOM 1612 CZ ARG B 49 6.845 -7.430 -1.694 1.00 0.00 C ATOM 1613 NH1 ARG B 49 7.519 -6.427 -1.134 1.00 0.00 N ATOM 1614 NH2 ARG B 49 6.974 -8.634 -1.197 1.00 0.00 N ATOM 0 H ARG B 49 3.528 -2.090 -5.293 1.00 0.00 H new ATOM 0 HA ARG B 49 2.708 -4.711 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.962 -4.025 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.297 -3.681 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG B 49 3.685 -6.095 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.380 -6.430 -4.898 1.00 0.00 H new ATOM 0 HD2 ARG B 49 6.595 -5.715 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.947 -5.134 -2.628 1.00 0.00 H new ATOM 0 HE ARG B 49 5.632 -8.035 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG B 49 7.458 -5.488 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.096 -6.597 -0.311 1.00 0.00 H new ATOM 0 HH21 ARG B 49 6.492 -9.420 -1.633 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.556 -8.786 -0.373 1.00 0.00 H new ATOM 1628 N ILE B 50 1.222 -3.345 -3.372 1.00 0.00 N ATOM 1629 CA ILE B 50 0.073 -3.463 -2.494 1.00 0.00 C ATOM 1630 C ILE B 50 -1.174 -3.785 -3.314 1.00 0.00 C ATOM 1631 O ILE B 50 -1.810 -4.814 -3.100 1.00 0.00 O ATOM 1632 CB ILE B 50 -0.156 -2.149 -1.685 1.00 0.00 C ATOM 1633 CG1 ILE B 50 1.035 -1.899 -0.758 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.458 -2.207 -0.887 1.00 0.00 C ATOM 1635 CD1 ILE B 50 0.995 -0.587 -0.023 1.00 0.00 C ATOM 0 H ILE B 50 1.657 -2.422 -3.364 1.00 0.00 H new ATOM 0 HA ILE B 50 0.267 -4.270 -1.788 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.241 -1.321 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.086 -2.707 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.951 -1.942 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.588 -1.276 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.297 -2.344 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.419 -3.042 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.878 -0.497 0.609 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.978 0.232 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.099 -0.544 0.597 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.485 -2.929 -4.281 1.00 0.00 N ATOM 1648 CA ASN B 51 -2.681 -3.112 -5.117 1.00 0.00 C ATOM 1649 C ASN B 51 -2.601 -4.411 -5.878 1.00 0.00 C ATOM 1650 O ASN B 51 -3.564 -5.190 -5.913 1.00 0.00 O ATOM 1651 CB ASN B 51 -2.891 -1.964 -6.128 1.00 0.00 C ATOM 1652 CG ASN B 51 -3.199 -0.615 -5.507 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -4.358 -0.282 -5.242 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -2.188 0.184 -5.305 1.00 0.00 N ATOM 0 H ASN B 51 -0.933 -2.103 -4.510 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.528 -3.119 -4.431 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -1.994 -1.870 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -3.707 -2.234 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -2.343 1.115 -4.917 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -1.242 -0.122 -5.535 1.00 0.00 H new ATOM 1661 N GLU B 52 -1.437 -4.661 -6.455 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.213 -5.842 -7.249 1.00 0.00 C ATOM 1663 C GLU B 52 -1.363 -7.127 -6.428 1.00 0.00 C ATOM 1664 O GLU B 52 -2.001 -8.082 -6.894 1.00 0.00 O ATOM 1665 CB GLU B 52 0.141 -5.794 -7.981 1.00 0.00 C ATOM 1666 CG GLU B 52 0.281 -4.616 -8.949 1.00 0.00 C ATOM 1667 CD GLU B 52 1.526 -4.695 -9.804 1.00 0.00 C ATOM 1668 OE1 GLU B 52 1.506 -5.381 -10.849 1.00 0.00 O ATOM 1669 OE2 GLU B 52 2.544 -4.056 -9.478 1.00 0.00 O ATOM 0 H GLU B 52 -0.626 -4.047 -6.382 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.992 -5.857 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.941 -5.742 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU B 52 0.278 -6.724 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.595 -4.579 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.296 -3.686 -8.380 1.00 0.00 H new ATOM 1676 N SER B 53 -0.840 -7.152 -5.203 1.00 0.00 N ATOM 1677 CA SER B 53 -0.922 -8.353 -4.412 1.00 0.00 C ATOM 1678 C SER B 53 -2.320 -8.532 -3.828 1.00 0.00 C ATOM 1679 O SER B 53 -2.846 -9.631 -3.820 1.00 0.00 O ATOM 1680 CB SER B 53 0.151 -8.367 -3.327 1.00 0.00 C ATOM 1681 OG SER B 53 1.441 -8.222 -3.914 1.00 0.00 O ATOM 0 H SER B 53 -0.367 -6.367 -4.755 1.00 0.00 H new ATOM 0 HA SER B 53 -0.734 -9.204 -5.067 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.027 -7.559 -2.617 1.00 0.00 H new ATOM 0 HB3 SER B 53 0.101 -9.300 -2.766 1.00 0.00 H new ATOM 0 HG SER B 53 1.618 -7.273 -4.085 1.00 0.00 H new ATOM 1687 N LEU B 54 -2.938 -7.430 -3.416 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.252 -7.467 -2.789 1.00 0.00 C ATOM 1689 C LEU B 54 -5.308 -7.934 -3.808 1.00 0.00 C ATOM 1690 O LEU B 54 -6.183 -8.753 -3.491 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.601 -6.062 -2.246 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.333 -5.986 -0.889 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.506 -4.542 -0.461 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -6.681 -6.674 -0.930 1.00 0.00 C ATOM 0 H LEU B 54 -2.545 -6.493 -3.507 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.242 -8.174 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.674 -5.494 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.217 -5.557 -2.990 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.714 -6.510 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.024 -4.506 0.497 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.527 -4.072 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.091 -4.008 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.160 -6.595 0.046 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.310 -6.197 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -6.545 -7.725 -1.184 1.00 0.00 H new ATOM 1706 N SER B 55 -5.200 -7.446 -5.035 1.00 0.00 N ATOM 1707 CA SER B 55 -6.154 -7.794 -6.059 1.00 0.00 C ATOM 1708 C SER B 55 -6.006 -9.258 -6.503 1.00 0.00 C ATOM 1709 O SER B 55 -7.013 -9.976 -6.653 1.00 0.00 O ATOM 1710 CB SER B 55 -6.063 -6.836 -7.254 1.00 0.00 C ATOM 1711 OG SER B 55 -7.065 -7.130 -8.221 1.00 0.00 O ATOM 0 H SER B 55 -4.462 -6.811 -5.338 1.00 0.00 H new ATOM 0 HA SER B 55 -7.148 -7.688 -5.624 1.00 0.00 H new ATOM 0 HB2 SER B 55 -6.175 -5.808 -6.910 1.00 0.00 H new ATOM 0 HB3 SER B 55 -5.077 -6.913 -7.712 1.00 0.00 H new ATOM 0 HG SER B 55 -6.988 -6.505 -8.972 1.00 0.00 H new ATOM 1717 N GLN B 56 -4.772 -9.735 -6.683 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.595 -11.123 -7.101 1.00 0.00 C ATOM 1719 C GLN B 56 -5.013 -12.049 -5.965 1.00 0.00 C ATOM 1720 O GLN B 56 -5.508 -13.147 -6.196 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.155 -11.439 -7.559 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.108 -11.411 -6.457 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.742 -11.834 -6.936 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.401 -13.021 -6.917 1.00 0.00 O ATOM 1725 NE2 GLN B 56 0.058 -10.891 -7.338 1.00 0.00 N ATOM 0 H GLN B 56 -3.912 -9.203 -6.551 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.231 -11.287 -7.971 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.146 -12.425 -8.023 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -2.869 -10.722 -8.329 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.048 -10.403 -6.045 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.423 -12.068 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.258 -9.921 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN B 56 1.001 -11.121 -7.651 1.00 0.00 H new ATOM 1734 N LEU B 57 -4.863 -11.555 -4.747 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.205 -12.295 -3.569 1.00 0.00 C ATOM 1736 C LEU B 57 -6.699 -12.584 -3.546 1.00 0.00 C ATOM 1737 O LEU B 57 -7.109 -13.746 -3.549 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.756 -11.497 -2.322 1.00 0.00 C ATOM 1739 CG LEU B 57 -4.883 -12.178 -0.956 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -6.295 -12.044 -0.403 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -4.484 -13.651 -1.087 1.00 0.00 C ATOM 0 H LEU B 57 -4.497 -10.622 -4.559 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.689 -13.255 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.712 -11.217 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.332 -10.572 -2.290 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.213 -11.686 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -6.354 -12.537 0.567 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -6.543 -10.989 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -7.001 -12.510 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.573 -14.140 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -5.142 -14.144 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.453 -13.719 -1.434 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.504 -11.523 -3.560 1.00 0.00 N ATOM 1754 CA LYS B 58 -8.966 -11.656 -3.579 1.00 0.00 C ATOM 1755 C LYS B 58 -9.457 -12.530 -4.739 1.00 0.00 C ATOM 1756 O LYS B 58 -10.488 -13.179 -4.633 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.705 -10.274 -3.493 1.00 0.00 C ATOM 1758 CG LYS B 58 -9.473 -9.247 -4.631 1.00 0.00 C ATOM 1759 CD LYS B 58 -10.221 -9.605 -5.921 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.030 -8.554 -7.014 1.00 0.00 C ATOM 1761 NZ LYS B 58 -10.590 -7.238 -6.634 1.00 0.00 N ATOM 0 H LYS B 58 -7.171 -10.559 -3.559 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.237 -12.187 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -10.775 -10.472 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.418 -9.801 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -9.792 -8.261 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -8.406 -9.182 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -9.872 -10.571 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -11.284 -9.711 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -8.967 -8.445 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -10.507 -8.897 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -10.606 -6.614 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -11.559 -7.363 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -10.000 -6.811 -5.892 1.00 0.00 H new ATOM 1775 N THR B 59 -8.693 -12.552 -5.819 1.00 0.00 N ATOM 1776 CA THR B 59 -8.994 -13.385 -6.953 1.00 0.00 C ATOM 1777 C THR B 59 -8.847 -14.877 -6.577 1.00 0.00 C ATOM 1778 O THR B 59 -9.826 -15.633 -6.596 1.00 0.00 O ATOM 1779 CB THR B 59 -8.053 -13.031 -8.121 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.209 -11.629 -8.434 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.370 -13.863 -9.360 1.00 0.00 C ATOM 0 H THR B 59 -7.849 -11.990 -5.926 1.00 0.00 H new ATOM 0 HA THR B 59 -10.025 -13.209 -7.261 1.00 0.00 H new ATOM 0 HB THR B 59 -7.028 -13.247 -7.821 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.869 -11.088 -7.691 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.689 -13.590 -10.166 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.251 -14.921 -9.128 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.397 -13.673 -9.673 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.647 -15.266 -6.158 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.364 -16.661 -5.832 1.00 0.00 C ATOM 1791 C LEU B 60 -8.166 -17.160 -4.644 1.00 0.00 C ATOM 1792 O LEU B 60 -8.668 -18.282 -4.670 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.855 -16.936 -5.631 1.00 0.00 C ATOM 1794 CG LEU B 60 -4.982 -17.119 -6.898 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.494 -18.273 -7.746 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -4.886 -15.848 -7.727 1.00 0.00 C ATOM 0 H LEU B 60 -6.854 -14.636 -6.036 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.685 -17.229 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.438 -16.112 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.756 -17.835 -5.023 1.00 0.00 H new ATOM 0 HG LEU B 60 -3.974 -17.354 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -4.865 -18.382 -8.630 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.464 -19.194 -7.164 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.520 -18.071 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.263 -16.031 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.883 -15.546 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -4.443 -15.054 -7.126 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.312 -16.328 -3.626 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.057 -16.713 -2.436 1.00 0.00 C ATOM 1810 C ILE B 61 -10.519 -16.969 -2.771 1.00 0.00 C ATOM 1811 O ILE B 61 -11.062 -18.026 -2.468 1.00 0.00 O ATOM 1812 CB ILE B 61 -8.984 -15.636 -1.329 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -7.545 -15.387 -0.926 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -9.795 -16.062 -0.111 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -6.845 -16.583 -0.329 1.00 0.00 C ATOM 0 H ILE B 61 -7.926 -15.384 -3.598 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.594 -17.627 -2.065 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.405 -14.713 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -6.988 -15.056 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -7.519 -14.570 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -9.731 -15.291 0.657 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -10.837 -16.202 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -9.398 -16.998 0.281 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -5.821 -16.314 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -7.374 -16.903 0.569 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -6.834 -17.397 -1.054 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.138 -16.033 -3.454 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.548 -16.147 -3.726 1.00 0.00 C ATOM 1829 C LEU B 62 -12.792 -17.313 -4.685 1.00 0.00 C ATOM 1830 O LEU B 62 -13.782 -18.019 -4.560 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.102 -14.816 -4.275 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.598 -14.480 -4.012 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.550 -15.458 -4.666 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -14.870 -14.384 -2.529 1.00 0.00 C ATOM 0 H LEU B 62 -10.692 -15.195 -3.826 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.084 -16.356 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.501 -14.008 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.943 -14.808 -5.353 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.783 -13.510 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.577 -15.169 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.395 -15.450 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.364 -16.460 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -15.922 -14.148 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -14.634 -15.336 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.251 -13.598 -2.096 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.861 -17.564 -5.586 1.00 0.00 N ATOM 1847 CA ASP B 63 -12.032 -18.662 -6.513 1.00 0.00 C ATOM 1848 C ASP B 63 -11.746 -20.011 -5.920 1.00 0.00 C ATOM 1849 O ASP B 63 -12.288 -21.002 -6.368 1.00 0.00 O ATOM 1850 CB ASP B 63 -11.254 -18.526 -7.779 1.00 0.00 C ATOM 1851 CG ASP B 63 -11.876 -17.578 -8.772 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -12.926 -17.932 -9.354 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -11.324 -16.492 -9.027 1.00 0.00 O ATOM 0 H ASP B 63 -10.996 -17.034 -5.694 1.00 0.00 H new ATOM 0 HA ASP B 63 -13.094 -18.600 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.248 -18.181 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -11.154 -19.508 -8.241 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.902 -20.077 -4.944 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.590 -21.367 -4.370 1.00 0.00 C ATOM 1860 C ALA B 64 -11.640 -21.774 -3.359 1.00 0.00 C ATOM 1861 O ALA B 64 -12.024 -22.942 -3.267 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.215 -21.362 -3.738 1.00 0.00 C ATOM 0 H ALA B 64 -10.420 -19.280 -4.527 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.589 -22.100 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.006 -22.344 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.467 -21.127 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.180 -20.611 -2.949 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.117 -20.803 -2.630 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.062 -21.041 -1.568 1.00 0.00 C ATOM 1870 C LEU B 65 -14.465 -21.001 -2.080 1.00 0.00 C ATOM 1871 O LEU B 65 -15.348 -21.668 -1.525 1.00 0.00 O ATOM 1872 CB LEU B 65 -12.874 -20.049 -0.408 1.00 0.00 C ATOM 1873 CG LEU B 65 -11.590 -20.211 0.445 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -10.328 -19.988 -0.363 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -11.632 -19.294 1.645 1.00 0.00 C ATOM 0 H LEU B 65 -11.863 -19.823 -2.754 1.00 0.00 H new ATOM 0 HA LEU B 65 -12.869 -22.041 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -12.885 -19.039 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -13.736 -20.133 0.254 1.00 0.00 H new ATOM 0 HG LEU B 65 -11.562 -21.244 0.793 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -9.457 -20.113 0.280 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -10.285 -20.712 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -10.333 -18.979 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -10.723 -19.421 2.232 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -11.706 -18.259 1.310 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -12.498 -19.539 2.260 1.00 0.00 H new ATOM 1887 N LYS B 66 -14.661 -20.226 -3.151 1.00 0.00 N ATOM 1888 CA LYS B 66 -15.947 -20.082 -3.812 1.00 0.00 C ATOM 1889 C LYS B 66 -16.996 -19.573 -2.833 1.00 0.00 C ATOM 1890 O LYS B 66 -17.910 -20.288 -2.420 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.351 -21.396 -4.492 1.00 0.00 C ATOM 1892 CG LYS B 66 -15.419 -21.874 -5.639 1.00 0.00 C ATOM 1893 CD LYS B 66 -15.714 -21.217 -6.977 1.00 0.00 C ATOM 1894 CE LYS B 66 -14.951 -19.935 -7.133 1.00 0.00 C ATOM 1895 NZ LYS B 66 -15.094 -19.348 -8.487 1.00 0.00 N ATOM 0 H LYS B 66 -13.918 -19.677 -3.583 1.00 0.00 H new ATOM 0 HA LYS B 66 -15.866 -19.334 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -16.394 -22.178 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -17.359 -21.283 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -14.384 -21.670 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -15.513 -22.955 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.452 -21.899 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -16.783 -21.019 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -15.299 -19.217 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -13.896 -20.117 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -14.158 -19.070 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -15.516 -20.051 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -15.709 -18.510 -8.439 1.00 0.00 H new ATOM 1909 N LYS B 67 -16.783 -18.349 -2.396 1.00 0.00 N ATOM 1910 CA LYS B 67 -17.677 -17.710 -1.455 1.00 0.00 C ATOM 1911 C LYS B 67 -18.947 -17.241 -2.144 1.00 0.00 C ATOM 1912 O LYS B 67 -20.010 -17.824 -1.943 1.00 0.00 O ATOM 1913 CB LYS B 67 -16.988 -16.537 -0.752 1.00 0.00 C ATOM 1914 CG LYS B 67 -15.807 -16.924 0.132 1.00 0.00 C ATOM 1915 CD LYS B 67 -16.263 -17.762 1.302 1.00 0.00 C ATOM 1916 CE LYS B 67 -15.127 -18.067 2.264 1.00 0.00 C ATOM 1917 NZ LYS B 67 -15.571 -18.934 3.375 1.00 0.00 N ATOM 0 H LYS B 67 -15.991 -17.773 -2.681 1.00 0.00 H new ATOM 0 HA LYS B 67 -17.948 -18.450 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -16.642 -15.832 -1.508 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -17.725 -16.014 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -15.075 -17.479 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -15.309 -16.025 0.495 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -17.057 -17.239 1.834 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -16.687 -18.696 0.935 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -14.314 -18.554 1.725 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -14.730 -17.135 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -14.770 -19.121 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -16.330 -18.459 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -15.927 -19.833 2.993 1.00 0.00 H new ATOM 1931 N ASP B 68 -18.832 -16.199 -2.954 1.00 0.00 N ATOM 1932 CA ASP B 68 -19.975 -15.647 -3.673 1.00 0.00 C ATOM 1933 C ASP B 68 -19.472 -14.623 -4.606 1.00 0.00 C ATOM 1934 O ASP B 68 -18.525 -13.888 -4.281 1.00 0.00 O ATOM 1935 CB ASP B 68 -20.940 -14.943 -2.737 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.350 -14.775 -3.302 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -22.514 -14.178 -4.369 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -23.315 -15.238 -2.674 1.00 0.00 O ATOM 0 H ASP B 68 -17.952 -15.714 -3.132 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.489 -16.467 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -20.999 -15.504 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -20.539 -13.959 -2.492 1.00 0.00 H new ATOM 1943 N SER B 69 -20.095 -14.526 -5.714 1.00 0.00 N ATOM 1944 CA SER B 69 -19.730 -13.566 -6.681 1.00 0.00 C ATOM 1945 C SER B 69 -20.219 -12.155 -6.272 1.00 0.00 C ATOM 1946 O SER B 69 -19.572 -11.142 -6.569 1.00 0.00 O ATOM 1947 CB SER B 69 -20.248 -13.989 -8.044 1.00 0.00 C ATOM 1948 OG SER B 69 -19.736 -15.274 -8.407 1.00 0.00 O ATOM 0 H SER B 69 -20.883 -15.117 -5.980 1.00 0.00 H new ATOM 0 HA SER B 69 -18.643 -13.509 -6.743 1.00 0.00 H new ATOM 0 HB2 SER B 69 -21.338 -14.017 -8.031 1.00 0.00 H new ATOM 0 HB3 SER B 69 -19.957 -13.252 -8.793 1.00 0.00 H new ATOM 0 HG SER B 69 -20.084 -15.528 -9.287 1.00 0.00 H new ATOM 1954 N SER B 70 -21.310 -12.105 -5.527 1.00 0.00 N ATOM 1955 CA SER B 70 -21.866 -10.861 -5.063 1.00 0.00 C ATOM 1956 C SER B 70 -20.980 -10.301 -3.972 1.00 0.00 C ATOM 1957 O SER B 70 -20.706 -9.090 -3.920 1.00 0.00 O ATOM 1958 CB SER B 70 -23.303 -11.080 -4.547 1.00 0.00 C ATOM 1959 OG SER B 70 -23.891 -9.865 -4.085 1.00 0.00 O ATOM 0 H SER B 70 -21.830 -12.931 -5.231 1.00 0.00 H new ATOM 0 HA SER B 70 -21.911 -10.147 -5.886 1.00 0.00 H new ATOM 0 HB2 SER B 70 -23.916 -11.500 -5.345 1.00 0.00 H new ATOM 0 HB3 SER B 70 -23.291 -11.809 -3.737 1.00 0.00 H new ATOM 0 HG SER B 70 -24.801 -10.042 -3.767 1.00 0.00 H new ATOM 1965 N ARG B 71 -20.468 -11.193 -3.134 1.00 0.00 N ATOM 1966 CA ARG B 71 -19.637 -10.778 -2.049 1.00 0.00 C ATOM 1967 C ARG B 71 -18.228 -10.517 -2.550 1.00 0.00 C ATOM 1968 O ARG B 71 -17.463 -9.858 -1.883 1.00 0.00 O ATOM 1969 CB ARG B 71 -19.741 -11.763 -0.847 1.00 0.00 C ATOM 1970 CG ARG B 71 -18.829 -12.978 -0.854 1.00 0.00 C ATOM 1971 CD ARG B 71 -17.489 -12.636 -0.242 1.00 0.00 C ATOM 1972 NE ARG B 71 -17.620 -12.239 1.181 1.00 0.00 N ATOM 1973 CZ ARG B 71 -17.460 -10.987 1.696 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -17.341 -9.921 0.902 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -17.486 -10.799 3.001 1.00 0.00 N ATOM 0 H ARG B 71 -20.621 -12.199 -3.197 1.00 0.00 H new ATOM 0 HA ARG B 71 -19.990 -9.828 -1.647 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -19.545 -11.201 0.066 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -20.771 -12.116 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -19.293 -13.792 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -18.690 -13.330 -1.876 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -16.824 -13.496 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -17.028 -11.824 -0.805 1.00 0.00 H new ATOM 0 HE ARG B 71 -17.854 -12.979 1.843 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -17.369 -10.034 -0.111 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -17.222 -8.993 1.308 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -17.626 -11.591 3.628 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -17.366 -9.861 3.384 1.00 0.00 H new ATOM 1989 N HIS B 72 -17.908 -11.019 -3.748 1.00 0.00 N ATOM 1990 CA HIS B 72 -16.629 -10.720 -4.391 1.00 0.00 C ATOM 1991 C HIS B 72 -16.617 -9.239 -4.769 1.00 0.00 C ATOM 1992 O HIS B 72 -15.633 -8.528 -4.552 1.00 0.00 O ATOM 1993 CB HIS B 72 -16.403 -11.595 -5.656 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.051 -11.391 -6.327 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.033 -12.320 -6.325 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -14.564 -10.328 -7.011 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -12.994 -11.805 -6.974 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -13.261 -10.593 -7.414 1.00 0.00 N ATOM 0 H HIS B 72 -18.517 -11.633 -4.289 1.00 0.00 H new ATOM 0 HA HIS B 72 -15.821 -10.946 -3.695 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -16.504 -12.645 -5.380 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.190 -11.379 -6.378 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -15.105 -9.415 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.053 -12.314 -7.121 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -12.641 -9.978 -7.940 1.00 0.00 H new ATOM 2006 N SER B 73 -17.730 -8.772 -5.288 1.00 0.00 N ATOM 2007 CA SER B 73 -17.861 -7.385 -5.684 1.00 0.00 C ATOM 2008 C SER B 73 -18.242 -6.499 -4.479 1.00 0.00 C ATOM 2009 O SER B 73 -18.515 -5.314 -4.619 1.00 0.00 O ATOM 2010 CB SER B 73 -18.887 -7.276 -6.804 1.00 0.00 C ATOM 2011 OG SER B 73 -18.543 -8.140 -7.896 1.00 0.00 O ATOM 0 H SER B 73 -18.565 -9.336 -5.447 1.00 0.00 H new ATOM 0 HA SER B 73 -16.901 -7.024 -6.053 1.00 0.00 H new ATOM 0 HB2 SER B 73 -19.875 -7.537 -6.425 1.00 0.00 H new ATOM 0 HB3 SER B 73 -18.942 -6.245 -7.154 1.00 0.00 H new ATOM 0 HG SER B 73 -19.216 -8.056 -8.604 1.00 0.00 H new ATOM 2017 N LYS B 74 -18.226 -7.089 -3.304 1.00 0.00 N ATOM 2018 CA LYS B 74 -18.522 -6.390 -2.062 1.00 0.00 C ATOM 2019 C LYS B 74 -17.368 -6.657 -1.099 1.00 0.00 C ATOM 2020 O LYS B 74 -17.481 -6.568 0.122 1.00 0.00 O ATOM 2021 CB LYS B 74 -19.878 -6.859 -1.479 1.00 0.00 C ATOM 2022 CG LYS B 74 -20.403 -6.154 -0.190 1.00 0.00 C ATOM 2023 CD LYS B 74 -20.704 -4.646 -0.348 1.00 0.00 C ATOM 2024 CE LYS B 74 -19.450 -3.767 -0.302 1.00 0.00 C ATOM 2025 NZ LYS B 74 -19.782 -2.326 -0.371 1.00 0.00 N ATOM 0 H LYS B 74 -18.006 -8.077 -3.177 1.00 0.00 H new ATOM 0 HA LYS B 74 -18.616 -5.318 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -20.634 -6.742 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -19.800 -7.926 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -21.312 -6.658 0.138 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -19.665 -6.281 0.602 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -21.218 -4.483 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -21.386 -4.334 0.443 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -18.899 -3.969 0.617 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.793 -4.028 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -18.906 -1.766 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -20.285 -2.128 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.388 -2.070 0.435 1.00 0.00 H new ATOM 2039 N LEU B 75 -16.253 -6.965 -1.672 1.00 0.00 N ATOM 2040 CA LEU B 75 -15.077 -7.228 -0.922 1.00 0.00 C ATOM 2041 C LEU B 75 -14.400 -5.964 -0.541 1.00 0.00 C ATOM 2042 O LEU B 75 -13.723 -5.327 -1.354 1.00 0.00 O ATOM 2043 CB LEU B 75 -14.130 -8.145 -1.662 1.00 0.00 C ATOM 2044 CG LEU B 75 -14.475 -9.614 -1.634 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -13.544 -10.410 -2.522 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -14.442 -10.153 -0.214 1.00 0.00 C ATOM 0 H LEU B 75 -16.134 -7.041 -2.682 1.00 0.00 H new ATOM 0 HA LEU B 75 -15.381 -7.743 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -14.083 -7.823 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -13.132 -8.018 -1.243 1.00 0.00 H new ATOM 0 HG LEU B 75 -15.489 -9.722 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -13.816 -11.465 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -13.626 -10.053 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -12.518 -10.287 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -14.694 -11.213 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -13.443 -10.020 0.202 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -15.165 -9.612 0.397 1.00 0.00 H new ATOM 2058 N GLU B 76 -14.658 -5.562 0.655 1.00 0.00 N ATOM 2059 CA GLU B 76 -14.004 -4.428 1.224 1.00 0.00 C ATOM 2060 C GLU B 76 -12.655 -4.904 1.719 1.00 0.00 C ATOM 2061 O GLU B 76 -12.458 -6.108 1.872 1.00 0.00 O ATOM 2062 CB GLU B 76 -14.831 -3.826 2.368 1.00 0.00 C ATOM 2063 CG GLU B 76 -16.252 -3.449 1.954 1.00 0.00 C ATOM 2064 CD GLU B 76 -16.978 -2.579 2.961 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -16.812 -2.765 4.182 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -17.707 -1.660 2.545 1.00 0.00 O ATOM 0 H GLU B 76 -15.333 -6.012 1.273 1.00 0.00 H new ATOM 0 HA GLU B 76 -13.887 -3.638 0.482 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -14.877 -4.541 3.189 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -14.323 -2.939 2.746 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -16.214 -2.926 0.998 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -16.827 -4.361 1.796 1.00 0.00 H new ATOM 2073 N LYS B 77 -11.743 -3.997 1.968 1.00 0.00 N ATOM 2074 CA LYS B 77 -10.383 -4.353 2.373 1.00 0.00 C ATOM 2075 C LYS B 77 -10.348 -5.316 3.561 1.00 0.00 C ATOM 2076 O LYS B 77 -9.681 -6.348 3.518 1.00 0.00 O ATOM 2077 CB LYS B 77 -9.577 -3.092 2.641 1.00 0.00 C ATOM 2078 CG LYS B 77 -8.185 -3.343 3.194 1.00 0.00 C ATOM 2079 CD LYS B 77 -7.290 -2.111 3.071 1.00 0.00 C ATOM 2080 CE LYS B 77 -7.048 -1.700 1.614 1.00 0.00 C ATOM 2081 NZ LYS B 77 -6.284 -0.437 1.513 1.00 0.00 N ATOM 0 H LYS B 77 -11.909 -2.993 1.899 1.00 0.00 H new ATOM 0 HA LYS B 77 -9.923 -4.895 1.547 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -9.490 -2.527 1.713 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -10.127 -2.467 3.344 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.258 -3.635 4.242 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -7.728 -4.177 2.662 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -7.747 -1.280 3.608 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -6.333 -2.313 3.551 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -6.506 -2.493 1.099 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -8.006 -1.586 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -6.143 -0.196 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -6.812 0.327 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -5.359 -0.553 1.975 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.114 -5.000 4.572 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.210 -5.821 5.777 1.00 0.00 C ATOM 2097 C ALA B 78 -11.813 -7.205 5.477 1.00 0.00 C ATOM 2098 O ALA B 78 -11.508 -8.191 6.153 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.045 -5.100 6.810 1.00 0.00 C ATOM 0 H ALA B 78 -11.697 -4.163 4.595 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.203 -5.981 6.162 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.118 -5.711 7.710 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -11.577 -4.147 7.055 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.043 -4.922 6.411 1.00 0.00 H new ATOM 2105 N ASP B 79 -12.618 -7.267 4.431 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.312 -8.501 4.042 1.00 0.00 C ATOM 2107 C ASP B 79 -12.347 -9.439 3.416 1.00 0.00 C ATOM 2108 O ASP B 79 -12.323 -10.637 3.722 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.458 -8.216 3.056 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.726 -7.729 3.710 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -15.675 -6.858 4.595 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.820 -8.209 3.333 1.00 0.00 O ATOM 0 H ASP B 79 -12.814 -6.471 3.824 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.738 -8.945 4.942 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -14.125 -7.470 2.334 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -14.677 -9.126 2.497 1.00 0.00 H new ATOM 2117 N ILE B 80 -11.537 -8.874 2.570 1.00 0.00 N ATOM 2118 CA ILE B 80 -10.526 -9.580 1.835 1.00 0.00 C ATOM 2119 C ILE B 80 -9.463 -10.111 2.774 1.00 0.00 C ATOM 2120 O ILE B 80 -9.181 -11.306 2.757 1.00 0.00 O ATOM 2121 CB ILE B 80 -9.883 -8.640 0.802 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -10.962 -8.099 -0.127 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -8.819 -9.382 0.003 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -10.556 -6.877 -0.905 1.00 0.00 C ATOM 0 H ILE B 80 -11.562 -7.875 2.365 1.00 0.00 H new ATOM 0 HA ILE B 80 -10.991 -10.421 1.321 1.00 0.00 H new ATOM 0 HB ILE B 80 -9.404 -7.809 1.319 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -11.247 -8.883 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -11.847 -7.862 0.463 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -8.372 -8.705 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.047 -9.749 0.679 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.276 -10.224 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -11.383 -6.559 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -10.300 -6.074 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -9.691 -7.111 -1.525 1.00 0.00 H new ATOM 2136 N LEU B 81 -8.921 -9.223 3.631 1.00 0.00 N ATOM 2137 CA LEU B 81 -7.844 -9.586 4.569 1.00 0.00 C ATOM 2138 C LEU B 81 -8.240 -10.784 5.394 1.00 0.00 C ATOM 2139 O LEU B 81 -7.501 -11.782 5.460 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.507 -8.443 5.530 1.00 0.00 C ATOM 2141 CG LEU B 81 -7.057 -7.116 4.939 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -6.698 -6.164 6.061 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -5.882 -7.296 3.982 1.00 0.00 C ATOM 0 H LEU B 81 -9.213 -8.248 3.692 1.00 0.00 H new ATOM 0 HA LEU B 81 -6.969 -9.810 3.960 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.388 -8.253 6.143 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.722 -8.792 6.200 1.00 0.00 H new ATOM 0 HG LEU B 81 -7.879 -6.698 4.358 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.375 -5.212 5.641 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.570 -6.004 6.695 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -5.890 -6.591 6.656 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.589 -6.326 3.580 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.041 -7.736 4.517 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.176 -7.954 3.164 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.420 -10.697 5.983 1.00 0.00 N ATOM 2156 CA GLU B 82 -9.950 -11.736 6.818 1.00 0.00 C ATOM 2157 C GLU B 82 -10.098 -13.021 6.055 1.00 0.00 C ATOM 2158 O GLU B 82 -9.725 -14.065 6.544 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.295 -11.309 7.373 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.054 -12.373 8.088 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.452 -11.948 8.392 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.667 -11.192 9.336 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.373 -12.341 7.653 1.00 0.00 O ATOM 0 H GLU B 82 -10.036 -9.890 5.888 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.252 -11.906 7.638 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.139 -10.474 8.057 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -11.908 -10.938 6.551 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.073 -13.277 7.479 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.541 -12.624 9.016 1.00 0.00 H new ATOM 2170 N MET B 83 -10.580 -12.926 4.836 1.00 0.00 N ATOM 2171 CA MET B 83 -10.891 -14.087 4.044 1.00 0.00 C ATOM 2172 C MET B 83 -9.638 -14.928 3.784 1.00 0.00 C ATOM 2173 O MET B 83 -9.708 -16.155 3.766 1.00 0.00 O ATOM 2174 CB MET B 83 -11.604 -13.664 2.764 1.00 0.00 C ATOM 2175 CG MET B 83 -12.224 -14.799 1.979 1.00 0.00 C ATOM 2176 SD MET B 83 -13.200 -14.216 0.575 1.00 0.00 S ATOM 2177 CE MET B 83 -11.992 -13.219 -0.312 1.00 0.00 C ATOM 0 H MET B 83 -10.766 -12.039 4.368 1.00 0.00 H new ATOM 0 HA MET B 83 -11.574 -14.732 4.597 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.385 -12.948 3.019 1.00 0.00 H new ATOM 0 HB3 MET B 83 -10.892 -13.144 2.123 1.00 0.00 H new ATOM 0 HG2 MET B 83 -11.436 -15.461 1.620 1.00 0.00 H new ATOM 0 HG3 MET B 83 -12.860 -15.389 2.639 1.00 0.00 H new ATOM 0 HE1 MET B 83 -12.118 -13.364 -1.385 1.00 0.00 H new ATOM 0 HE2 MET B 83 -12.139 -12.167 -0.068 1.00 0.00 H new ATOM 0 HE3 MET B 83 -10.986 -13.521 -0.020 1.00 0.00 H new ATOM 2187 N THR B 84 -8.502 -14.267 3.631 1.00 0.00 N ATOM 2188 CA THR B 84 -7.225 -14.930 3.515 1.00 0.00 C ATOM 2189 C THR B 84 -6.858 -15.633 4.841 1.00 0.00 C ATOM 2190 O THR B 84 -6.493 -16.792 4.857 1.00 0.00 O ATOM 2191 CB THR B 84 -6.140 -13.907 3.187 1.00 0.00 C ATOM 2192 OG1 THR B 84 -6.762 -12.657 2.883 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.342 -14.353 1.987 1.00 0.00 C ATOM 0 H THR B 84 -8.446 -13.250 3.584 1.00 0.00 H new ATOM 0 HA THR B 84 -7.295 -15.671 2.719 1.00 0.00 H new ATOM 0 HB THR B 84 -5.474 -13.809 4.044 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.945 -12.172 3.715 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.573 -13.613 1.766 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.872 -15.313 2.199 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.004 -14.456 1.127 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.005 -14.929 5.949 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.687 -15.491 7.270 1.00 0.00 C ATOM 2203 C VAL B 85 -7.568 -16.746 7.518 1.00 0.00 C ATOM 2204 O VAL B 85 -7.093 -17.810 7.981 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.940 -14.439 8.385 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.557 -14.953 9.769 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.207 -13.151 8.092 1.00 0.00 C ATOM 0 H VAL B 85 -7.342 -13.966 5.971 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.634 -15.771 7.293 1.00 0.00 H new ATOM 0 HB VAL B 85 -8.013 -14.246 8.390 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.753 -14.180 10.512 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -7.146 -15.839 10.004 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.497 -15.208 9.782 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.402 -12.432 8.888 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.136 -13.347 8.034 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.553 -12.743 7.142 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.830 -16.623 7.151 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.776 -17.704 7.262 1.00 0.00 C ATOM 2219 C LYS B 86 -9.411 -18.879 6.319 1.00 0.00 C ATOM 2220 O LYS B 86 -9.601 -20.046 6.678 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.197 -17.203 6.993 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.571 -15.977 7.829 1.00 0.00 C ATOM 2223 CD LYS B 86 -13.053 -15.675 7.818 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.541 -15.226 6.453 1.00 0.00 C ATOM 2225 NZ LYS B 86 -14.943 -14.759 6.505 1.00 0.00 N ATOM 0 H LYS B 86 -9.224 -15.764 6.766 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.733 -18.083 8.283 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.295 -16.958 5.936 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.904 -18.006 7.201 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.247 -16.135 8.858 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -11.028 -15.110 7.453 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.605 -16.564 8.124 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.268 -14.898 8.552 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -12.903 -14.424 6.083 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -13.457 -16.051 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.363 -14.815 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.485 -15.359 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -14.969 -13.774 6.838 1.00 0.00 H new ATOM 2239 N HIS B 87 -8.850 -18.569 5.124 1.00 0.00 N ATOM 2240 CA HIS B 87 -8.446 -19.626 4.165 1.00 0.00 C ATOM 2241 C HIS B 87 -7.318 -20.438 4.770 1.00 0.00 C ATOM 2242 O HIS B 87 -7.205 -21.656 4.531 1.00 0.00 O ATOM 2243 CB HIS B 87 -7.988 -19.056 2.745 1.00 0.00 C ATOM 2244 CG HIS B 87 -6.459 -19.009 2.471 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -5.682 -20.130 2.297 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -5.594 -17.973 2.407 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -4.413 -19.747 2.149 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -4.305 -18.446 2.204 1.00 0.00 N ATOM 0 H HIS B 87 -8.670 -17.617 4.806 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.325 -20.245 3.984 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -8.454 -19.663 1.969 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.383 -18.046 2.640 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -5.865 -16.932 2.500 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -3.584 -20.423 2.003 1.00 0.00 H new ATOM 0 HE2 HIS B 87 -3.452 -17.894 2.116 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.474 -19.739 5.535 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.315 -20.311 6.136 1.00 0.00 C ATOM 2258 C LEU B 88 -5.764 -21.406 7.030 1.00 0.00 C ATOM 2259 O LEU B 88 -5.291 -22.517 6.923 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.519 -19.205 6.885 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.181 -19.570 7.582 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.416 -18.299 7.870 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -3.413 -20.288 8.907 1.00 0.00 C ATOM 0 H LEU B 88 -6.598 -18.748 5.743 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.638 -20.731 5.392 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.309 -18.411 6.168 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.179 -18.784 7.643 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.627 -20.231 6.916 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.474 -18.545 8.360 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.213 -17.776 6.935 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -3.008 -17.658 8.523 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.453 -20.527 9.364 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.983 -19.643 9.576 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.969 -21.208 8.730 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.763 -21.104 7.843 1.00 0.00 N ATOM 2276 CA ARG B 89 -7.295 -22.067 8.793 1.00 0.00 C ATOM 2277 C ARG B 89 -7.774 -23.322 8.068 1.00 0.00 C ATOM 2278 O ARG B 89 -7.405 -24.438 8.431 1.00 0.00 O ATOM 2279 CB ARG B 89 -8.473 -21.503 9.602 1.00 0.00 C ATOM 2280 CG ARG B 89 -8.323 -20.074 10.143 1.00 0.00 C ATOM 2281 CD ARG B 89 -6.940 -19.772 10.704 1.00 0.00 C ATOM 2282 NE ARG B 89 -6.460 -20.787 11.660 1.00 0.00 N ATOM 2283 CZ ARG B 89 -6.049 -20.553 12.908 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -6.348 -19.407 13.512 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -5.413 -21.504 13.574 1.00 0.00 N ATOM 0 H ARG B 89 -7.224 -20.194 7.864 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.481 -22.303 9.479 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -9.363 -21.536 8.973 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.654 -22.168 10.446 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.543 -19.367 9.343 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -9.065 -19.911 10.924 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.231 -19.696 9.880 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.961 -18.800 11.197 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.440 -21.755 11.339 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -6.895 -18.700 13.021 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -6.030 -19.235 14.466 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.240 -22.407 13.133 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.096 -21.333 14.528 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.537 -23.108 7.005 1.00 0.00 N ATOM 2300 CA ASN B 90 -9.150 -24.190 6.223 1.00 0.00 C ATOM 2301 C ASN B 90 -8.114 -25.101 5.630 1.00 0.00 C ATOM 2302 O ASN B 90 -8.126 -26.308 5.873 1.00 0.00 O ATOM 2303 CB ASN B 90 -9.999 -23.649 5.086 1.00 0.00 C ATOM 2304 CG ASN B 90 -11.179 -22.814 5.503 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.780 -23.018 6.571 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.527 -21.871 4.663 1.00 0.00 N ATOM 0 H ASN B 90 -8.754 -22.175 6.653 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.776 -24.745 6.921 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.364 -23.050 4.434 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.361 -24.489 4.494 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.321 -21.267 4.875 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.003 -21.740 3.797 1.00 0.00 H new ATOM 2313 N LEU B 91 -7.204 -24.537 4.868 1.00 0.00 N ATOM 2314 CA LEU B 91 -6.179 -25.322 4.247 1.00 0.00 C ATOM 2315 C LEU B 91 -5.266 -25.950 5.258 1.00 0.00 C ATOM 2316 O LEU B 91 -4.910 -27.085 5.100 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.426 -24.529 3.197 1.00 0.00 C ATOM 2318 CG LEU B 91 -6.168 -24.272 1.877 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -5.408 -23.272 1.045 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -6.303 -25.567 1.088 1.00 0.00 C ATOM 0 H LEU B 91 -7.159 -23.538 4.668 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.670 -26.143 3.725 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -5.150 -23.566 3.628 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.498 -25.055 2.971 1.00 0.00 H new ATOM 0 HG LEU B 91 -7.159 -23.882 2.110 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.941 -23.096 0.111 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -5.319 -22.335 1.594 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -4.413 -23.661 0.827 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -6.831 -25.371 0.155 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -5.312 -25.964 0.868 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -6.863 -26.294 1.676 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.997 -25.265 6.356 1.00 0.00 N ATOM 2333 CA GLN B 92 -4.096 -25.794 7.386 1.00 0.00 C ATOM 2334 C GLN B 92 -4.637 -27.083 8.006 1.00 0.00 C ATOM 2335 O GLN B 92 -3.876 -28.006 8.311 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.810 -24.757 8.469 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.780 -23.721 8.093 1.00 0.00 C ATOM 2338 CD GLN B 92 -1.404 -24.303 8.009 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -1.076 -25.274 8.691 1.00 0.00 O ATOM 2340 NE2 GLN B 92 -0.582 -23.715 7.227 1.00 0.00 N ATOM 0 H GLN B 92 -5.384 -24.344 6.564 1.00 0.00 H new ATOM 0 HA GLN B 92 -3.156 -26.031 6.889 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.741 -24.249 8.722 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.474 -25.274 9.368 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -3.045 -23.278 7.133 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.789 -22.917 8.829 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.887 -22.913 6.676 1.00 0.00 H new ATOM 0 HE22 GLN B 92 0.379 -24.048 7.154 1.00 0.00 H new ATOM 2349 N ARG B 93 -5.946 -27.172 8.115 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.592 -28.331 8.733 1.00 0.00 C ATOM 2351 C ARG B 93 -7.001 -29.355 7.681 1.00 0.00 C ATOM 2352 O ARG B 93 -7.483 -30.429 8.004 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.809 -27.877 9.576 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.899 -27.156 8.784 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.882 -28.103 8.093 1.00 0.00 C ATOM 2356 NE ARG B 93 -10.733 -28.850 9.037 1.00 0.00 N ATOM 2357 CZ ARG B 93 -10.981 -30.172 8.972 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -10.214 -30.971 8.233 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -11.945 -30.703 9.714 1.00 0.00 N ATOM 0 H ARG B 93 -6.594 -26.457 7.785 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.875 -28.814 9.397 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -8.247 -28.751 10.058 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -7.459 -27.217 10.370 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -9.451 -26.500 9.457 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -8.430 -26.521 8.033 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -10.517 -27.528 7.419 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.324 -28.810 7.479 1.00 0.00 H new ATOM 0 HE ARG B 93 -11.167 -28.326 9.797 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -9.430 -30.583 7.709 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -10.411 -31.971 8.191 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -12.498 -30.110 10.333 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -12.133 -31.704 9.665 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.838 -28.997 6.422 1.00 0.00 N ATOM 2374 CA ALA B 94 -7.214 -29.873 5.317 1.00 0.00 C ATOM 2375 C ALA B 94 -6.255 -31.043 5.219 1.00 0.00 C ATOM 2376 O ALA B 94 -6.604 -32.117 4.737 1.00 0.00 O ATOM 2377 CB ALA B 94 -7.243 -29.096 4.011 1.00 0.00 C ATOM 0 H ALA B 94 -6.446 -28.101 6.133 1.00 0.00 H new ATOM 0 HA ALA B 94 -8.214 -30.263 5.508 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -7.525 -29.763 3.197 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.969 -28.287 4.085 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -6.255 -28.680 3.813 1.00 0.00 H new ATOM 2383 N GLN B 95 -5.053 -30.831 5.694 1.00 0.00 N ATOM 2384 CA GLN B 95 -4.021 -31.827 5.674 1.00 0.00 C ATOM 2385 C GLN B 95 -3.011 -31.588 6.783 1.00 0.00 C ATOM 2386 O GLN B 95 -3.338 -31.894 7.941 1.00 0.00 O ATOM 2387 CB GLN B 95 -3.384 -31.976 4.259 1.00 0.00 C ATOM 2388 CG GLN B 95 -3.311 -30.700 3.381 1.00 0.00 C ATOM 2389 CD GLN B 95 -2.394 -29.605 3.887 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -1.210 -29.592 3.575 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -2.929 -28.643 4.597 1.00 0.00 N ATOM 0 H GLN B 95 -4.764 -29.946 6.111 1.00 0.00 H new ATOM 0 HA GLN B 95 -4.475 -32.796 5.884 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -2.372 -32.361 4.382 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -3.948 -32.732 3.712 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -2.986 -30.988 2.381 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -4.316 -30.290 3.284 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.918 -28.680 4.842 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -2.356 -27.857 4.904 1.00 0.00 H new