USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 29 GLN :FLIP amide:sc= 0.0438 F(o=-2.5,f=-0.45) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.498! C(o=-0.45!,f=-4!) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.778 K(o=-3.3,f=-8.8!) USER MOD Set 2.2: A 61 SER OG : rot -179:sc= -2.55! USER MOD Set 3.1: A 52 CYS SG : rot 82:sc= -3.3! USER MOD Set 3.2: A 59 MET CE :methyl 168:sc= -0.017 (180deg=-0.281) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.21) USER MOD Single : A 31 SER OG : rot -44:sc= 0.168 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.75! C(o=-1.8!,f=-2.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 176:sc= -1.92 (180deg=-1.98) USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.771 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.024) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.13) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.148) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 27:sc= -2.77 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.697 F(o=-3!,f=-0.7) USER MOD Single : A 69 GLN : amide:sc= -2.54! C(o=-2.5!,f=-2.3!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-3.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 160:sc= -0.909 (180deg=-2.27) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -4.140 9.246 7.467 1.00 0.00 N ATOM 312 CA ILE A 22 -5.348 8.726 6.875 1.00 0.00 C ATOM 313 C ILE A 22 -5.265 7.216 6.805 1.00 0.00 C ATOM 314 O ILE A 22 -4.221 6.620 7.076 1.00 0.00 O ATOM 315 CB ILE A 22 -5.618 9.300 5.463 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.578 8.790 4.473 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.631 10.825 5.495 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.786 9.282 3.056 1.00 0.00 C ATOM 0 HA ILE A 22 -6.179 9.034 7.509 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.600 8.959 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.588 9.096 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.593 7.700 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.822 11.208 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.415 11.168 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.665 11.190 5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.006 8.876 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.761 8.954 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.741 10.371 3.039 1.00 0.00 H new ATOM 330 N LYS A 23 -6.349 6.594 6.462 1.00 0.00 N ATOM 331 CA LYS A 23 -6.391 5.150 6.372 1.00 0.00 C ATOM 332 C LYS A 23 -6.713 4.757 4.959 1.00 0.00 C ATOM 333 O LYS A 23 -7.464 5.438 4.293 1.00 0.00 O ATOM 334 CB LYS A 23 -7.454 4.560 7.322 1.00 0.00 C ATOM 335 CG LYS A 23 -7.359 5.037 8.773 1.00 0.00 C ATOM 336 CD LYS A 23 -8.092 6.361 8.994 1.00 0.00 C ATOM 337 CE LYS A 23 -9.601 6.207 8.841 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.331 7.439 9.243 1.00 0.00 N ATOM 0 H LYS A 23 -7.228 7.059 6.236 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.418 4.756 6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.443 4.810 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.371 3.473 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.779 4.277 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.311 5.154 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.865 6.740 9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.728 7.101 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.838 5.968 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.943 5.369 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.353 7.291 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.126 7.654 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.024 8.234 8.647 1.00 0.00 H new ATOM 352 N LEU A 24 -6.123 3.702 4.477 1.00 0.00 N ATOM 353 CA LEU A 24 -6.439 3.221 3.145 1.00 0.00 C ATOM 354 C LEU A 24 -6.613 1.725 3.150 1.00 0.00 C ATOM 355 O LEU A 24 -6.190 1.032 4.088 1.00 0.00 O ATOM 356 CB LEU A 24 -5.382 3.631 2.109 1.00 0.00 C ATOM 357 CG LEU A 24 -5.301 5.121 1.775 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.329 5.818 2.696 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.907 5.328 0.323 1.00 0.00 C ATOM 0 H LEU A 24 -5.422 3.154 4.976 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.378 3.690 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.406 3.308 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.577 3.084 1.187 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.288 5.558 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.284 6.877 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.661 5.705 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.339 5.376 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.856 6.395 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.933 4.874 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.650 4.863 -0.325 1.00 0.00 H new ATOM 371 N LYS A 25 -7.231 1.214 2.114 1.00 0.00 N ATOM 372 CA LYS A 25 -7.481 -0.194 2.014 1.00 0.00 C ATOM 373 C LYS A 25 -7.086 -0.713 0.651 1.00 0.00 C ATOM 374 O LYS A 25 -7.251 -0.041 -0.362 1.00 0.00 O ATOM 375 CB LYS A 25 -8.953 -0.484 2.311 1.00 0.00 C ATOM 376 CG LYS A 25 -9.306 -1.965 2.374 1.00 0.00 C ATOM 377 CD LYS A 25 -9.947 -2.463 1.092 1.00 0.00 C ATOM 378 CE LYS A 25 -11.276 -1.767 0.808 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.309 -2.079 1.826 1.00 0.00 N ATOM 0 H LYS A 25 -7.571 1.762 1.324 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.871 -0.714 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.217 -0.020 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.565 -0.010 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.403 -2.542 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.986 -2.138 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.265 -2.297 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.109 -3.539 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.118 -0.689 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.637 -2.068 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.210 -1.638 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.433 -3.110 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.009 -1.708 2.750 1.00 0.00 H new ATOM 393 N VAL A 26 -6.545 -1.901 0.630 1.00 0.00 N ATOM 394 CA VAL A 26 -6.118 -2.521 -0.606 1.00 0.00 C ATOM 395 C VAL A 26 -6.917 -3.770 -0.890 1.00 0.00 C ATOM 396 O VAL A 26 -7.266 -4.520 0.026 1.00 0.00 O ATOM 397 CB VAL A 26 -4.584 -2.848 -0.574 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.274 -4.223 -1.170 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.806 -1.776 -1.315 1.00 0.00 C ATOM 0 H VAL A 26 -6.386 -2.469 1.462 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.298 -1.809 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.278 -2.867 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.200 -4.405 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.796 -4.992 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.605 -4.253 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.742 -2.013 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.141 -1.734 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.975 -0.810 -0.840 1.00 0.00 H new ATOM 409 N ILE A 27 -7.231 -3.986 -2.151 1.00 0.00 N ATOM 410 CA ILE A 27 -7.889 -5.194 -2.566 1.00 0.00 C ATOM 411 C ILE A 27 -6.861 -6.057 -3.242 1.00 0.00 C ATOM 412 O ILE A 27 -6.286 -5.672 -4.256 1.00 0.00 O ATOM 413 CB ILE A 27 -9.056 -4.940 -3.548 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.106 -4.020 -2.915 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.692 -6.272 -3.966 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.772 -4.600 -1.688 1.00 0.00 C ATOM 0 H ILE A 27 -7.036 -3.330 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.318 -5.671 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.661 -4.445 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.632 -3.076 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.871 -3.793 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.513 -6.082 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.943 -6.895 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.073 -6.786 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.501 -3.889 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.277 -5.529 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.019 -4.801 -0.926 1.00 0.00 H new ATOM 428 N GLY A 28 -6.617 -7.209 -2.695 1.00 0.00 N ATOM 429 CA GLY A 28 -5.613 -8.059 -3.237 1.00 0.00 C ATOM 430 C GLY A 28 -6.186 -9.003 -4.245 1.00 0.00 C ATOM 431 O GLY A 28 -7.391 -9.222 -4.280 1.00 0.00 O ATOM 0 H GLY A 28 -7.100 -7.577 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.835 -7.455 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.140 -8.624 -2.434 1.00 0.00 H new ATOM 435 N GLN A 29 -5.332 -9.576 -5.064 1.00 0.00 N ATOM 436 CA GLN A 29 -5.749 -10.554 -6.062 1.00 0.00 C ATOM 437 C GLN A 29 -6.436 -11.758 -5.410 1.00 0.00 C ATOM 438 O GLN A 29 -7.243 -12.445 -6.024 1.00 0.00 O ATOM 439 CB GLN A 29 -4.555 -11.012 -6.921 1.00 0.00 C ATOM 440 CG GLN A 29 -3.167 -10.970 -6.241 1.00 0.00 C ATOM 441 CD GLN A 29 -3.094 -11.689 -4.887 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.107 -10.927 -3.799 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 -2.955 -12.900 -4.822 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.331 -9.382 -5.063 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.473 -10.066 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.743 -12.033 -7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.517 -10.389 -7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.434 -11.416 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.878 -9.929 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.949 -13.459 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.845 -13.353 -3.915 1.00 0.00 H new ATOM 452 N ASP A 30 -6.119 -11.991 -4.154 1.00 0.00 N ATOM 453 CA ASP A 30 -6.707 -13.078 -3.384 1.00 0.00 C ATOM 454 C ASP A 30 -7.992 -12.602 -2.692 1.00 0.00 C ATOM 455 O ASP A 30 -8.572 -13.303 -1.868 1.00 0.00 O ATOM 456 CB ASP A 30 -5.674 -13.569 -2.349 1.00 0.00 C ATOM 457 CG ASP A 30 -6.144 -14.748 -1.519 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.267 -15.857 -2.070 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.371 -14.568 -0.304 1.00 0.00 O ATOM 0 H ASP A 30 -5.444 -11.432 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.971 -13.903 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.757 -13.847 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.424 -12.745 -1.681 1.00 0.00 H new ATOM 464 N SER A 31 -8.438 -11.389 -3.055 1.00 0.00 N ATOM 465 CA SER A 31 -9.616 -10.756 -2.459 1.00 0.00 C ATOM 466 C SER A 31 -9.300 -10.357 -1.015 1.00 0.00 C ATOM 467 O SER A 31 -10.183 -10.085 -0.202 1.00 0.00 O ATOM 468 CB SER A 31 -10.846 -11.687 -2.535 1.00 0.00 C ATOM 469 OG SER A 31 -12.051 -10.988 -2.256 1.00 0.00 O ATOM 0 H SER A 31 -7.987 -10.821 -3.773 1.00 0.00 H new ATOM 0 HA SER A 31 -9.865 -9.858 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.905 -12.132 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.727 -12.506 -1.825 1.00 0.00 H new ATOM 0 HG SER A 31 -11.918 -10.402 -1.482 1.00 0.00 H new ATOM 475 N SER A 32 -8.013 -10.325 -0.713 1.00 0.00 N ATOM 476 CA SER A 32 -7.522 -9.975 0.599 1.00 0.00 C ATOM 477 C SER A 32 -7.587 -8.463 0.800 1.00 0.00 C ATOM 478 O SER A 32 -6.877 -7.712 0.133 1.00 0.00 O ATOM 479 CB SER A 32 -6.070 -10.460 0.749 1.00 0.00 C ATOM 480 OG SER A 32 -5.690 -10.558 2.115 1.00 0.00 O ATOM 0 H SER A 32 -7.276 -10.545 -1.383 1.00 0.00 H new ATOM 0 HA SER A 32 -8.145 -10.455 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.959 -11.432 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.401 -9.772 0.233 1.00 0.00 H new ATOM 0 HG SER A 32 -4.763 -10.870 2.175 1.00 0.00 H new ATOM 486 N GLU A 33 -8.464 -8.012 1.684 1.00 0.00 N ATOM 487 CA GLU A 33 -8.570 -6.596 1.980 1.00 0.00 C ATOM 488 C GLU A 33 -7.593 -6.227 3.066 1.00 0.00 C ATOM 489 O GLU A 33 -7.733 -6.649 4.214 1.00 0.00 O ATOM 490 CB GLU A 33 -9.975 -6.222 2.430 1.00 0.00 C ATOM 491 CG GLU A 33 -11.060 -6.513 1.420 1.00 0.00 C ATOM 492 CD GLU A 33 -12.406 -6.022 1.885 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.717 -4.830 1.673 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.159 -6.820 2.478 1.00 0.00 O ATOM 0 H GLU A 33 -9.109 -8.605 2.206 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.343 -6.049 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.202 -6.759 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.995 -5.158 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.809 -6.040 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.108 -7.587 1.238 1.00 0.00 H new ATOM 501 N ILE A 34 -6.606 -5.459 2.719 1.00 0.00 N ATOM 502 CA ILE A 34 -5.617 -5.038 3.676 1.00 0.00 C ATOM 503 C ILE A 34 -5.906 -3.611 4.109 1.00 0.00 C ATOM 504 O ILE A 34 -6.241 -2.761 3.286 1.00 0.00 O ATOM 505 CB ILE A 34 -4.194 -5.114 3.080 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.946 -6.492 2.435 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.152 -4.835 4.157 1.00 0.00 C ATOM 508 CD1 ILE A 34 -4.012 -7.655 3.408 1.00 0.00 C ATOM 0 H ILE A 34 -6.460 -5.106 1.773 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.666 -5.708 4.534 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.106 -4.353 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.682 -6.650 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.966 -6.487 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.154 -4.892 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.312 -3.838 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.244 -5.575 4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.827 -8.587 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.257 -7.524 4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.000 -7.690 3.867 1.00 0.00 H new ATOM 520 N HIS A 35 -5.799 -3.341 5.395 1.00 0.00 N ATOM 521 CA HIS A 35 -6.039 -2.007 5.924 1.00 0.00 C ATOM 522 C HIS A 35 -4.763 -1.486 6.546 1.00 0.00 C ATOM 523 O HIS A 35 -4.077 -2.207 7.275 1.00 0.00 O ATOM 524 CB HIS A 35 -7.157 -2.014 6.974 1.00 0.00 C ATOM 525 CG HIS A 35 -8.531 -2.205 6.415 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.621 -1.477 6.836 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.996 -3.069 5.488 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.697 -1.891 6.201 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.349 -2.859 5.375 1.00 0.00 N ATOM 0 H HIS A 35 -5.545 -4.032 6.101 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.352 -1.361 5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.958 -2.808 7.694 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.129 -1.072 7.522 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.412 -3.792 4.937 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.696 -1.504 6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.980 -3.367 4.755 1.00 0.00 H new ATOM 538 N PHE A 36 -4.429 -0.254 6.257 1.00 0.00 N ATOM 539 CA PHE A 36 -3.199 0.339 6.758 1.00 0.00 C ATOM 540 C PHE A 36 -3.367 1.830 7.013 1.00 0.00 C ATOM 541 O PHE A 36 -4.272 2.476 6.469 1.00 0.00 O ATOM 542 CB PHE A 36 -2.048 0.075 5.773 1.00 0.00 C ATOM 543 CG PHE A 36 -2.509 -0.023 4.356 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.820 1.105 3.631 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.658 -1.262 3.756 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.267 0.999 2.335 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.107 -1.368 2.465 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.411 -0.235 1.755 1.00 0.00 C ATOM 0 H PHE A 36 -4.990 0.367 5.674 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.957 -0.128 7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.314 0.876 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.543 -0.850 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.712 2.080 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.417 -2.156 4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.505 1.890 1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.221 -2.340 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.764 -0.315 0.738 1.00 0.00 H new ATOM 558 N LYS A 37 -2.495 2.378 7.838 1.00 0.00 N ATOM 559 CA LYS A 37 -2.545 3.780 8.198 1.00 0.00 C ATOM 560 C LYS A 37 -1.302 4.503 7.716 1.00 0.00 C ATOM 561 O LYS A 37 -0.186 4.198 8.143 1.00 0.00 O ATOM 562 CB LYS A 37 -2.662 3.924 9.709 1.00 0.00 C ATOM 563 CG LYS A 37 -3.933 3.339 10.289 1.00 0.00 C ATOM 564 CD LYS A 37 -3.950 3.491 11.790 1.00 0.00 C ATOM 565 CE LYS A 37 -5.294 3.118 12.372 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.361 3.420 13.824 1.00 0.00 N ATOM 0 H LYS A 37 -1.732 1.862 8.277 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.417 4.225 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.805 3.439 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.610 4.982 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.800 3.839 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.009 2.284 10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.176 2.862 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.712 4.521 12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.081 3.661 11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.479 2.056 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.296 3.152 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.625 2.882 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.209 4.438 13.974 1.00 0.00 H new ATOM 580 N VAL A 38 -1.483 5.462 6.828 1.00 0.00 N ATOM 581 CA VAL A 38 -0.371 6.231 6.293 1.00 0.00 C ATOM 582 C VAL A 38 -0.750 7.708 6.217 1.00 0.00 C ATOM 583 O VAL A 38 -1.929 8.057 6.216 1.00 0.00 O ATOM 584 CB VAL A 38 0.059 5.735 4.875 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.487 4.272 4.908 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.057 5.937 3.866 1.00 0.00 C ATOM 0 H VAL A 38 -2.395 5.730 6.459 1.00 0.00 H new ATOM 0 HA VAL A 38 0.474 6.092 6.968 1.00 0.00 H new ATOM 0 HB VAL A 38 0.916 6.333 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.780 3.956 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.331 4.155 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.344 3.657 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.731 5.584 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.937 5.376 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.305 6.997 3.805 1.00 0.00 H new ATOM 596 N LYS A 39 0.233 8.585 6.180 1.00 0.00 N ATOM 597 CA LYS A 39 -0.049 10.007 6.072 1.00 0.00 C ATOM 598 C LYS A 39 -0.314 10.402 4.646 1.00 0.00 C ATOM 599 O LYS A 39 -0.188 9.603 3.727 1.00 0.00 O ATOM 600 CB LYS A 39 1.095 10.848 6.583 1.00 0.00 C ATOM 601 CG LYS A 39 1.230 10.911 8.077 1.00 0.00 C ATOM 602 CD LYS A 39 2.250 11.955 8.431 1.00 0.00 C ATOM 603 CE LYS A 39 1.655 13.356 8.449 1.00 0.00 C ATOM 604 NZ LYS A 39 0.895 13.630 9.690 1.00 0.00 N ATOM 0 H LYS A 39 1.223 8.345 6.222 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.934 10.187 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.024 10.458 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.976 11.863 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.270 11.153 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.533 9.940 8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.674 11.729 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.069 11.919 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.455 14.089 8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.997 13.480 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.510 14.595 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.114 12.948 9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.527 13.539 10.511 1.00 0.00 H new ATOM 618 N MET A 40 -0.661 11.653 4.457 1.00 0.00 N ATOM 619 CA MET A 40 -0.923 12.178 3.126 1.00 0.00 C ATOM 620 C MET A 40 0.369 12.579 2.431 1.00 0.00 C ATOM 621 O MET A 40 0.497 12.471 1.213 1.00 0.00 O ATOM 622 CB MET A 40 -1.870 13.383 3.198 1.00 0.00 C ATOM 623 CG MET A 40 -3.320 13.022 3.491 1.00 0.00 C ATOM 624 SD MET A 40 -4.365 13.029 2.013 1.00 0.00 S ATOM 625 CE MET A 40 -3.497 11.882 0.948 1.00 0.00 C ATOM 0 H MET A 40 -0.770 12.334 5.208 1.00 0.00 H new ATOM 0 HA MET A 40 -1.397 11.387 2.545 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.514 14.065 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.826 13.922 2.252 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.357 12.034 3.950 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.724 13.727 4.218 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.067 11.735 0.030 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.514 12.285 0.704 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.381 10.927 1.460 1.00 0.00 H new ATOM 635 N THR A 41 1.339 13.034 3.208 1.00 0.00 N ATOM 636 CA THR A 41 2.596 13.500 2.653 1.00 0.00 C ATOM 637 C THR A 41 3.683 12.415 2.699 1.00 0.00 C ATOM 638 O THR A 41 4.863 12.693 2.507 1.00 0.00 O ATOM 639 CB THR A 41 3.084 14.779 3.388 1.00 0.00 C ATOM 640 OG1 THR A 41 4.234 15.328 2.730 1.00 0.00 O ATOM 641 CG2 THR A 41 3.422 14.480 4.843 1.00 0.00 C ATOM 0 H THR A 41 1.278 13.090 4.225 1.00 0.00 H new ATOM 0 HA THR A 41 2.413 13.741 1.606 1.00 0.00 H new ATOM 0 HB THR A 41 2.273 15.507 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.832 14.602 2.455 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.761 15.393 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.535 14.102 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.212 13.730 4.886 1.00 0.00 H new ATOM 649 N THR A 42 3.287 11.179 2.919 1.00 0.00 N ATOM 650 CA THR A 42 4.245 10.096 3.002 1.00 0.00 C ATOM 651 C THR A 42 4.312 9.352 1.668 1.00 0.00 C ATOM 652 O THR A 42 3.437 9.509 0.814 1.00 0.00 O ATOM 653 CB THR A 42 3.882 9.111 4.146 1.00 0.00 C ATOM 654 OG1 THR A 42 5.026 8.324 4.507 1.00 0.00 O ATOM 655 CG2 THR A 42 2.746 8.184 3.731 1.00 0.00 C ATOM 0 H THR A 42 2.314 10.900 3.043 1.00 0.00 H new ATOM 0 HA THR A 42 5.222 10.524 3.224 1.00 0.00 H new ATOM 0 HB THR A 42 3.559 9.702 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.834 7.826 5.329 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.512 7.505 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.864 8.776 3.488 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.048 7.607 2.857 1.00 0.00 H new ATOM 663 N HIS A 43 5.353 8.560 1.474 1.00 0.00 N ATOM 664 CA HIS A 43 5.500 7.795 0.249 1.00 0.00 C ATOM 665 C HIS A 43 4.600 6.574 0.247 1.00 0.00 C ATOM 666 O HIS A 43 4.413 5.912 1.268 1.00 0.00 O ATOM 667 CB HIS A 43 6.955 7.375 0.019 1.00 0.00 C ATOM 668 CG HIS A 43 7.813 8.440 -0.588 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.171 8.305 -0.757 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.497 9.659 -1.083 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.650 9.391 -1.325 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.655 10.227 -1.535 1.00 0.00 N ATOM 0 H HIS A 43 6.107 8.431 2.148 1.00 0.00 H new ATOM 0 HA HIS A 43 5.198 8.448 -0.570 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.389 7.074 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.970 6.499 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.512 10.101 -1.115 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.685 9.567 -1.577 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.735 11.148 -1.965 1.00 0.00 H new ATOM 681 N LEU A 44 4.063 6.271 -0.915 1.00 0.00 N ATOM 682 CA LEU A 44 3.170 5.134 -1.108 1.00 0.00 C ATOM 683 C LEU A 44 3.965 3.845 -1.005 1.00 0.00 C ATOM 684 O LEU A 44 3.411 2.767 -0.830 1.00 0.00 O ATOM 685 CB LEU A 44 2.525 5.231 -2.504 1.00 0.00 C ATOM 686 CG LEU A 44 1.010 4.988 -2.599 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.651 3.584 -2.171 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.253 6.006 -1.775 1.00 0.00 C ATOM 0 H LEU A 44 4.232 6.809 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 44 2.393 5.141 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.733 6.224 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.023 4.514 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 44 0.720 5.103 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.427 3.444 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.158 2.866 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.963 3.427 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.817 5.816 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.557 5.928 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.473 7.008 -2.143 1.00 0.00 H new ATOM 700 N LYS A 45 5.279 3.968 -1.100 1.00 0.00 N ATOM 701 CA LYS A 45 6.171 2.827 -1.074 1.00 0.00 C ATOM 702 C LYS A 45 5.976 1.959 0.166 1.00 0.00 C ATOM 703 O LYS A 45 5.882 0.740 0.060 1.00 0.00 O ATOM 704 CB LYS A 45 7.624 3.280 -1.215 1.00 0.00 C ATOM 705 CG LYS A 45 8.141 4.150 -0.079 1.00 0.00 C ATOM 706 CD LYS A 45 8.904 3.325 0.957 1.00 0.00 C ATOM 707 CE LYS A 45 10.142 2.671 0.358 1.00 0.00 C ATOM 708 NZ LYS A 45 10.715 1.644 1.263 1.00 0.00 N ATOM 0 H LYS A 45 5.755 4.865 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 45 5.919 2.200 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.258 2.397 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.728 3.831 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.794 4.925 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.304 4.656 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.198 3.966 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.248 2.556 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.885 2.212 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.893 3.434 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.347 1.019 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.254 2.110 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.946 1.082 1.681 1.00 0.00 H new ATOM 722 N LYS A 46 5.875 2.586 1.340 1.00 0.00 N ATOM 723 CA LYS A 46 5.715 1.847 2.588 1.00 0.00 C ATOM 724 C LYS A 46 4.373 1.138 2.615 1.00 0.00 C ATOM 725 O LYS A 46 4.222 0.091 3.222 1.00 0.00 O ATOM 726 CB LYS A 46 5.862 2.773 3.801 1.00 0.00 C ATOM 727 CG LYS A 46 4.863 3.924 3.839 1.00 0.00 C ATOM 728 CD LYS A 46 5.028 4.768 5.094 1.00 0.00 C ATOM 729 CE LYS A 46 4.715 3.968 6.352 1.00 0.00 C ATOM 730 NZ LYS A 46 4.864 4.783 7.581 1.00 0.00 N ATOM 0 H LYS A 46 5.901 3.600 1.450 1.00 0.00 H new ATOM 0 HA LYS A 46 6.505 1.098 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.751 2.182 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.872 3.184 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.996 4.551 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.849 3.527 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.049 5.146 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.369 5.635 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.697 3.584 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.378 3.105 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.642 4.200 8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.842 5.129 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.213 5.593 7.542 1.00 0.00 H new ATOM 744 N LEU A 47 3.412 1.712 1.931 1.00 0.00 N ATOM 745 CA LEU A 47 2.083 1.155 1.830 1.00 0.00 C ATOM 746 C LEU A 47 2.119 -0.113 0.969 1.00 0.00 C ATOM 747 O LEU A 47 1.573 -1.156 1.345 1.00 0.00 O ATOM 748 CB LEU A 47 1.166 2.222 1.211 1.00 0.00 C ATOM 749 CG LEU A 47 -0.338 1.929 1.149 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.108 3.230 0.966 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.667 0.970 0.006 1.00 0.00 C ATOM 0 H LEU A 47 3.532 2.588 1.423 1.00 0.00 H new ATOM 0 HA LEU A 47 1.702 0.877 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.303 3.147 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.512 2.411 0.195 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.632 1.456 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.176 3.018 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.904 3.895 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.796 3.710 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.740 0.781 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.360 1.414 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.136 0.030 0.155 1.00 0.00 H new ATOM 763 N LYS A 48 2.778 -0.017 -0.187 1.00 0.00 N ATOM 764 CA LYS A 48 2.889 -1.141 -1.128 1.00 0.00 C ATOM 765 C LYS A 48 3.523 -2.344 -0.446 1.00 0.00 C ATOM 766 O LYS A 48 3.019 -3.460 -0.516 1.00 0.00 O ATOM 767 CB LYS A 48 3.752 -0.761 -2.339 1.00 0.00 C ATOM 768 CG LYS A 48 3.459 0.604 -2.929 1.00 0.00 C ATOM 769 CD LYS A 48 4.650 1.121 -3.733 1.00 0.00 C ATOM 770 CE LYS A 48 4.794 0.421 -5.064 1.00 0.00 C ATOM 771 NZ LYS A 48 6.155 0.596 -5.638 1.00 0.00 N ATOM 0 H LYS A 48 3.247 0.833 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 48 1.881 -1.388 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.801 -0.796 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.614 -1.513 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.580 0.545 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.223 1.306 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.535 2.192 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.563 0.985 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.586 -0.642 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.053 0.811 -5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.344 -0.164 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.213 1.516 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.861 0.559 -4.875 1.00 0.00 H new ATOM 785 N GLU A 49 4.618 -2.101 0.238 1.00 0.00 N ATOM 786 CA GLU A 49 5.348 -3.164 0.912 1.00 0.00 C ATOM 787 C GLU A 49 4.578 -3.663 2.133 1.00 0.00 C ATOM 788 O GLU A 49 4.622 -4.847 2.467 1.00 0.00 O ATOM 789 CB GLU A 49 6.756 -2.697 1.307 1.00 0.00 C ATOM 790 CG GLU A 49 6.782 -1.351 2.001 1.00 0.00 C ATOM 791 CD GLU A 49 8.138 -0.995 2.567 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.470 -1.475 3.670 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.874 -0.220 1.921 1.00 0.00 O ATOM 0 H GLU A 49 5.029 -1.174 0.346 1.00 0.00 H new ATOM 0 HA GLU A 49 5.452 -3.996 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.205 -3.442 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.376 -2.646 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.478 -0.580 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.048 -1.352 2.807 1.00 0.00 H new ATOM 800 N SER A 50 3.845 -2.763 2.782 1.00 0.00 N ATOM 801 CA SER A 50 3.069 -3.105 3.964 1.00 0.00 C ATOM 802 C SER A 50 1.974 -4.109 3.625 1.00 0.00 C ATOM 803 O SER A 50 1.803 -5.125 4.309 1.00 0.00 O ATOM 804 CB SER A 50 2.452 -1.842 4.576 1.00 0.00 C ATOM 805 OG SER A 50 1.787 -2.124 5.798 1.00 0.00 O ATOM 0 H SER A 50 3.774 -1.784 2.504 1.00 0.00 H new ATOM 0 HA SER A 50 3.741 -3.562 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.233 -1.102 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.747 -1.402 3.871 1.00 0.00 H new ATOM 0 HG SER A 50 1.407 -1.297 6.162 1.00 0.00 H new ATOM 811 N TYR A 51 1.249 -3.865 2.555 1.00 0.00 N ATOM 812 CA TYR A 51 0.166 -4.747 2.203 1.00 0.00 C ATOM 813 C TYR A 51 0.704 -6.034 1.572 1.00 0.00 C ATOM 814 O TYR A 51 0.137 -7.113 1.755 1.00 0.00 O ATOM 815 CB TYR A 51 -0.868 -4.043 1.301 1.00 0.00 C ATOM 816 CG TYR A 51 -0.594 -4.111 -0.189 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.960 -5.228 -0.922 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.004 -3.057 -0.863 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.734 -5.301 -2.274 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.236 -3.123 -2.226 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.136 -4.246 -2.923 1.00 0.00 C ATOM 822 OH TYR A 51 0.090 -4.316 -4.272 1.00 0.00 O ATOM 0 H TYR A 51 1.389 -3.075 1.925 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.360 -5.024 3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.848 -4.481 1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.925 -2.995 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.433 -6.059 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.293 -2.172 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.024 -6.183 -2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.707 -2.297 -2.738 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.567 -4.916 -4.683 1.00 0.00 H new ATOM 832 N CYS A 52 1.822 -5.928 0.851 1.00 0.00 N ATOM 833 CA CYS A 52 2.434 -7.089 0.218 1.00 0.00 C ATOM 834 C CYS A 52 2.894 -8.084 1.258 1.00 0.00 C ATOM 835 O CYS A 52 2.674 -9.296 1.127 1.00 0.00 O ATOM 836 CB CYS A 52 3.607 -6.682 -0.671 1.00 0.00 C ATOM 837 SG CYS A 52 3.129 -5.828 -2.185 1.00 0.00 S ATOM 0 H CYS A 52 2.318 -5.051 0.693 1.00 0.00 H new ATOM 0 HA CYS A 52 1.677 -7.559 -0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.274 -6.037 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.175 -7.574 -0.935 1.00 0.00 H new ATOM 0 HG CYS A 52 2.916 -4.572 -1.926 1.00 0.00 H new ATOM 843 N GLN A 53 3.512 -7.581 2.317 1.00 0.00 N ATOM 844 CA GLN A 53 3.996 -8.440 3.371 1.00 0.00 C ATOM 845 C GLN A 53 2.826 -9.080 4.110 1.00 0.00 C ATOM 846 O GLN A 53 2.912 -10.225 4.554 1.00 0.00 O ATOM 847 CB GLN A 53 4.912 -7.678 4.343 1.00 0.00 C ATOM 848 CG GLN A 53 4.218 -6.566 5.106 1.00 0.00 C ATOM 849 CD GLN A 53 5.138 -5.831 6.055 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.332 -5.706 5.811 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.588 -5.338 7.142 1.00 0.00 N ATOM 0 H GLN A 53 3.686 -6.587 2.463 1.00 0.00 H new ATOM 0 HA GLN A 53 4.593 -9.230 2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.334 -8.385 5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.746 -7.254 3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.796 -5.855 4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.385 -6.986 5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.590 -5.463 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.159 -4.831 7.818 1.00 0.00 H new ATOM 860 N ARG A 54 1.714 -8.333 4.249 1.00 0.00 N ATOM 861 CA ARG A 54 0.508 -8.861 4.893 1.00 0.00 C ATOM 862 C ARG A 54 0.000 -10.108 4.185 1.00 0.00 C ATOM 863 O ARG A 54 -0.448 -11.058 4.819 1.00 0.00 O ATOM 864 CB ARG A 54 -0.593 -7.797 4.926 1.00 0.00 C ATOM 865 CG ARG A 54 -0.345 -6.651 5.899 1.00 0.00 C ATOM 866 CD ARG A 54 -0.435 -7.110 7.349 1.00 0.00 C ATOM 867 NE ARG A 54 0.708 -7.935 7.755 1.00 0.00 N ATOM 868 CZ ARG A 54 0.643 -8.918 8.653 1.00 0.00 C ATOM 869 NH1 ARG A 54 -0.512 -9.216 9.239 1.00 0.00 N ATOM 870 NH2 ARG A 54 1.733 -9.602 8.965 1.00 0.00 N ATOM 0 H ARG A 54 1.631 -7.369 3.925 1.00 0.00 H new ATOM 0 HA ARG A 54 0.774 -9.133 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.711 -7.385 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.536 -8.278 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.640 -6.224 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.074 -5.860 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.496 -6.237 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.355 -7.677 7.490 1.00 0.00 H new ATOM 0 HE ARG A 54 1.612 -7.744 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.354 -8.692 9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.556 -9.969 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.622 -9.377 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.684 -10.354 9.652 1.00 0.00 H new ATOM 884 N GLN A 55 0.083 -10.109 2.868 1.00 0.00 N ATOM 885 CA GLN A 55 -0.361 -11.249 2.079 1.00 0.00 C ATOM 886 C GLN A 55 0.689 -12.349 2.074 1.00 0.00 C ATOM 887 O GLN A 55 0.392 -13.516 1.801 1.00 0.00 O ATOM 888 CB GLN A 55 -0.657 -10.808 0.657 1.00 0.00 C ATOM 889 CG GLN A 55 -1.863 -9.898 0.541 1.00 0.00 C ATOM 890 CD GLN A 55 -1.725 -8.885 -0.575 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.519 -8.389 -0.767 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.701 -8.528 -1.236 1.00 0.00 N flip ATOM 0 H GLN A 55 0.454 -9.334 2.319 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.270 -11.647 2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.216 -10.293 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.818 -11.691 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.754 -10.502 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.010 -9.374 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.617 -8.938 -1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.593 -7.823 -1.965 1.00 0.00 H new ATOM 901 N GLY A 56 1.929 -11.979 2.365 1.00 0.00 N ATOM 902 CA GLY A 56 3.002 -12.949 2.425 1.00 0.00 C ATOM 903 C GLY A 56 3.583 -13.244 1.062 1.00 0.00 C ATOM 904 O GLY A 56 4.089 -14.334 0.813 1.00 0.00 O ATOM 0 H GLY A 56 2.211 -11.019 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.789 -12.577 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.629 -13.873 2.867 1.00 0.00 H new ATOM 908 N VAL A 57 3.532 -12.269 0.169 1.00 0.00 N ATOM 909 CA VAL A 57 4.019 -12.460 -1.186 1.00 0.00 C ATOM 910 C VAL A 57 4.952 -11.329 -1.597 1.00 0.00 C ATOM 911 O VAL A 57 4.849 -10.208 -1.080 1.00 0.00 O ATOM 912 CB VAL A 57 2.850 -12.552 -2.210 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.999 -13.786 -1.954 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.994 -11.294 -2.170 1.00 0.00 C ATOM 0 H VAL A 57 3.159 -11.339 0.358 1.00 0.00 H new ATOM 0 HA VAL A 57 4.566 -13.403 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 57 3.284 -12.639 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.189 -13.827 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.616 -14.679 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.580 -13.737 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.184 -11.382 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.576 -11.170 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.608 -10.428 -2.416 1.00 0.00 H new ATOM 924 N PRO A 58 5.899 -11.617 -2.502 1.00 0.00 N ATOM 925 CA PRO A 58 6.801 -10.606 -3.032 1.00 0.00 C ATOM 926 C PRO A 58 6.045 -9.547 -3.836 1.00 0.00 C ATOM 927 O PRO A 58 4.966 -9.808 -4.389 1.00 0.00 O ATOM 928 CB PRO A 58 7.762 -11.390 -3.931 1.00 0.00 C ATOM 929 CG PRO A 58 7.074 -12.679 -4.219 1.00 0.00 C ATOM 930 CD PRO A 58 6.177 -12.957 -3.050 1.00 0.00 C ATOM 0 HA PRO A 58 7.316 -10.062 -2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.973 -10.844 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.717 -11.557 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.498 -12.613 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.798 -13.483 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.262 -13.462 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.663 -13.598 -2.315 1.00 0.00 H new ATOM 938 N MET A 59 6.619 -8.366 -3.927 1.00 0.00 N ATOM 939 CA MET A 59 5.981 -7.231 -4.590 1.00 0.00 C ATOM 940 C MET A 59 6.013 -7.381 -6.106 1.00 0.00 C ATOM 941 O MET A 59 5.377 -6.624 -6.832 1.00 0.00 O ATOM 942 CB MET A 59 6.664 -5.928 -4.170 1.00 0.00 C ATOM 943 CG MET A 59 6.704 -5.728 -2.662 1.00 0.00 C ATOM 944 SD MET A 59 7.589 -4.239 -2.165 1.00 0.00 S ATOM 945 CE MET A 59 6.471 -2.974 -2.745 1.00 0.00 C ATOM 0 H MET A 59 7.542 -8.158 -3.545 1.00 0.00 H new ATOM 0 HA MET A 59 4.936 -7.204 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.683 -5.918 -4.558 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.141 -5.088 -4.627 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.684 -5.680 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.176 -6.595 -2.200 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.766 -2.010 -2.330 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.508 -2.927 -3.833 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.456 -3.211 -2.426 1.00 0.00 H new ATOM 955 N ASN A 60 6.742 -8.374 -6.582 1.00 0.00 N ATOM 956 CA ASN A 60 6.872 -8.627 -8.011 1.00 0.00 C ATOM 957 C ASN A 60 5.806 -9.610 -8.485 1.00 0.00 C ATOM 958 O ASN A 60 5.621 -9.823 -9.677 1.00 0.00 O ATOM 959 CB ASN A 60 8.279 -9.168 -8.330 1.00 0.00 C ATOM 960 CG ASN A 60 8.627 -10.436 -7.551 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.772 -11.278 -7.280 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.877 -10.568 -7.174 1.00 0.00 N ATOM 0 H ASN A 60 7.260 -9.027 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 60 6.729 -7.686 -8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.348 -9.375 -9.398 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.017 -8.398 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.165 -11.388 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.561 -9.851 -7.416 1.00 0.00 H new ATOM 969 N SER A 61 5.113 -10.216 -7.540 1.00 0.00 N ATOM 970 CA SER A 61 4.084 -11.187 -7.851 1.00 0.00 C ATOM 971 C SER A 61 2.762 -10.518 -8.170 1.00 0.00 C ATOM 972 O SER A 61 1.924 -11.071 -8.877 1.00 0.00 O ATOM 973 CB SER A 61 3.900 -12.141 -6.679 1.00 0.00 C ATOM 974 OG SER A 61 5.042 -12.942 -6.487 1.00 0.00 O ATOM 0 H SER A 61 5.247 -10.050 -6.542 1.00 0.00 H new ATOM 0 HA SER A 61 4.406 -11.740 -8.733 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.696 -11.571 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.033 -12.777 -6.858 1.00 0.00 H new ATOM 0 HG SER A 61 4.890 -13.554 -5.737 1.00 0.00 H new ATOM 980 N LEU A 62 2.569 -9.333 -7.666 1.00 0.00 N ATOM 981 CA LEU A 62 1.309 -8.655 -7.834 1.00 0.00 C ATOM 982 C LEU A 62 1.464 -7.271 -8.458 1.00 0.00 C ATOM 983 O LEU A 62 2.570 -6.756 -8.597 1.00 0.00 O ATOM 984 CB LEU A 62 0.567 -8.608 -6.496 1.00 0.00 C ATOM 985 CG LEU A 62 1.418 -8.291 -5.267 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.857 -6.838 -5.258 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.661 -8.642 -4.000 1.00 0.00 C ATOM 0 H LEU A 62 3.267 -8.813 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 62 0.709 -9.225 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.224 -7.861 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.082 -9.571 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 62 2.320 -8.901 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.460 -6.646 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.448 -6.631 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.979 -6.193 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.278 -8.411 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.261 -8.062 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.421 -9.705 -4.002 1.00 0.00 H new ATOM 999 N ARG A 63 0.342 -6.677 -8.827 1.00 0.00 N ATOM 1000 CA ARG A 63 0.330 -5.372 -9.471 1.00 0.00 C ATOM 1001 C ARG A 63 -0.438 -4.371 -8.635 1.00 0.00 C ATOM 1002 O ARG A 63 -1.618 -4.561 -8.356 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.300 -5.449 -10.871 1.00 0.00 C ATOM 1004 CG ARG A 63 0.384 -6.419 -11.813 1.00 0.00 C ATOM 1005 CD ARG A 63 -0.067 -6.216 -13.255 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.474 -6.577 -13.473 1.00 0.00 N ATOM 1007 CZ ARG A 63 -2.358 -5.814 -14.126 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -2.005 -4.619 -14.584 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.596 -6.252 -14.324 1.00 0.00 N ATOM 0 H ARG A 63 -0.584 -7.083 -8.690 1.00 0.00 H new ATOM 0 HA ARG A 63 1.366 -5.047 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.346 -5.737 -10.770 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.284 -4.455 -11.318 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.464 -6.289 -11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.166 -7.441 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.082 -5.173 -13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.562 -6.814 -13.914 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.799 -7.470 -13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.055 -4.277 -14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.684 -4.042 -15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.873 -7.171 -13.978 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.269 -5.670 -14.822 1.00 0.00 H new ATOM 1023 N PHE A 64 0.229 -3.319 -8.224 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.395 -2.263 -7.446 1.00 0.00 C ATOM 1025 C PHE A 64 -0.690 -1.046 -8.315 1.00 0.00 C ATOM 1026 O PHE A 64 0.225 -0.390 -8.829 1.00 0.00 O ATOM 1027 CB PHE A 64 0.492 -1.868 -6.251 1.00 0.00 C ATOM 1028 CG PHE A 64 1.979 -2.088 -6.470 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.650 -1.449 -7.506 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.699 -2.939 -5.640 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.001 -1.656 -7.710 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.051 -3.149 -5.841 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.702 -2.508 -6.878 1.00 0.00 C ATOM 0 H PHE A 64 1.219 -3.166 -8.417 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.341 -2.645 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.323 -0.816 -6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.178 -2.439 -5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.108 -0.782 -8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.196 -3.443 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.509 -1.152 -8.519 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.598 -3.813 -5.188 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.757 -2.673 -7.038 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.958 -0.739 -8.494 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.341 0.395 -9.304 1.00 0.00 C ATOM 1045 C LEU A 65 -3.571 1.093 -8.725 1.00 0.00 C ATOM 1046 O LEU A 65 -4.297 0.535 -7.903 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.553 -0.020 -10.799 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.871 -0.730 -11.187 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.224 -1.826 -10.209 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.012 0.271 -11.338 1.00 0.00 C ATOM 0 H LEU A 65 -2.738 -1.258 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.522 1.114 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.469 0.880 -11.408 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.728 -0.674 -11.082 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.714 -1.203 -12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.156 -2.301 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.427 -2.569 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.345 -1.400 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.926 -0.257 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.164 0.795 -10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.763 0.992 -12.117 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.799 2.308 -9.158 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.933 3.086 -8.715 1.00 0.00 C ATOM 1064 C PHE A 66 -5.443 3.929 -9.853 1.00 0.00 C ATOM 1065 O PHE A 66 -4.658 4.541 -10.560 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.543 3.975 -7.537 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.632 4.894 -7.083 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.701 4.411 -6.361 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.576 6.247 -7.370 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.701 5.258 -5.931 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.572 7.099 -6.947 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.635 6.604 -6.225 1.00 0.00 C ATOM 0 H PHE A 66 -3.202 2.789 -9.831 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.721 2.408 -8.388 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.243 3.343 -6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.673 4.569 -7.816 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.757 3.358 -6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.741 6.639 -7.932 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.534 4.868 -5.365 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.519 8.152 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.417 7.269 -5.889 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.770 3.936 -10.041 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.457 4.702 -11.104 1.00 0.00 C ATOM 1084 C GLU A 67 -6.824 4.486 -12.491 1.00 0.00 C ATOM 1085 O GLU A 67 -6.936 5.331 -13.385 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.536 6.206 -10.771 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.213 6.935 -10.840 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.377 8.428 -10.881 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.577 8.986 -11.977 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.303 9.062 -9.822 1.00 0.00 O ATOM 0 H GLU A 67 -7.411 3.403 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.474 4.311 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.234 6.681 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.948 6.322 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.607 6.663 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.668 6.609 -11.726 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.199 3.339 -12.683 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.564 3.038 -13.947 1.00 0.00 C ATOM 1099 C GLY A 68 -4.133 3.540 -14.040 1.00 0.00 C ATOM 1100 O GLY A 68 -3.606 3.740 -15.139 1.00 0.00 O ATOM 0 H GLY A 68 -6.119 2.604 -11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.573 1.959 -14.101 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.149 3.480 -14.753 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.493 3.744 -12.900 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.109 4.209 -12.871 1.00 0.00 C ATOM 1106 C GLN A 69 -1.298 3.314 -11.948 1.00 0.00 C ATOM 1107 O GLN A 69 -1.776 2.914 -10.889 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.031 5.670 -12.373 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.817 5.796 -10.866 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.981 7.202 -10.347 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.037 7.991 -10.338 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.162 7.503 -9.864 1.00 0.00 N ATOM 0 H GLN A 69 -3.907 3.596 -11.980 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.705 4.167 -13.882 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.217 6.177 -12.890 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.952 6.186 -12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.523 5.144 -10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.816 5.441 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.915 6.816 -9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.328 8.424 -9.459 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.094 2.964 -12.346 1.00 0.00 N ATOM 1122 CA ARG A 70 0.759 2.147 -11.506 1.00 0.00 C ATOM 1123 C ARG A 70 1.272 2.967 -10.329 1.00 0.00 C ATOM 1124 O ARG A 70 1.491 4.182 -10.438 1.00 0.00 O ATOM 1125 CB ARG A 70 1.926 1.554 -12.324 1.00 0.00 C ATOM 1126 CG ARG A 70 3.023 2.550 -12.696 1.00 0.00 C ATOM 1127 CD ARG A 70 4.180 2.489 -11.707 1.00 0.00 C ATOM 1128 NE ARG A 70 5.191 3.512 -11.965 1.00 0.00 N ATOM 1129 CZ ARG A 70 6.507 3.327 -11.819 1.00 0.00 C ATOM 1130 NH1 ARG A 70 6.981 2.135 -11.457 1.00 0.00 N ATOM 1131 NH2 ARG A 70 7.348 4.332 -12.036 1.00 0.00 N ATOM 0 H ARG A 70 0.316 3.230 -13.241 1.00 0.00 H new ATOM 0 HA ARG A 70 0.174 1.314 -11.115 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.373 0.740 -11.754 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.525 1.119 -13.239 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.388 2.335 -13.700 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.611 3.559 -12.716 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.795 2.610 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.644 1.504 -11.756 1.00 0.00 H new ATOM 0 HE ARG A 70 4.871 4.429 -12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.339 1.360 -11.290 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.986 1.998 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.990 5.246 -12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.352 4.190 -11.924 1.00 0.00 H new ATOM 1145 N ILE A 71 1.452 2.328 -9.203 1.00 0.00 N ATOM 1146 CA ILE A 71 1.914 3.023 -8.030 1.00 0.00 C ATOM 1147 C ILE A 71 3.425 2.905 -7.900 1.00 0.00 C ATOM 1148 O ILE A 71 3.974 1.807 -7.830 1.00 0.00 O ATOM 1149 CB ILE A 71 1.251 2.478 -6.748 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.274 2.354 -6.921 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.584 3.370 -5.568 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -0.961 3.628 -7.378 1.00 0.00 C ATOM 0 H ILE A 71 1.286 1.330 -9.073 1.00 0.00 H new ATOM 0 HA ILE A 71 1.636 4.070 -8.147 1.00 0.00 H new ATOM 0 HB ILE A 71 1.646 1.480 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.482 1.565 -7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.710 2.041 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.111 2.976 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.664 3.398 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.217 4.378 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.032 3.450 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.788 4.417 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.557 3.933 -8.343 1.00 0.00 H new ATOM 1164 N ALA A 72 4.105 4.037 -7.859 1.00 0.00 N ATOM 1165 CA ALA A 72 5.539 4.048 -7.728 1.00 0.00 C ATOM 1166 C ALA A 72 5.911 4.244 -6.275 1.00 0.00 C ATOM 1167 O ALA A 72 5.100 4.714 -5.476 1.00 0.00 O ATOM 1168 CB ALA A 72 6.145 5.148 -8.588 1.00 0.00 C ATOM 0 H ALA A 72 3.678 4.962 -7.915 1.00 0.00 H new ATOM 0 HA ALA A 72 5.937 3.093 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.229 5.141 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.887 4.977 -9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.754 6.115 -8.271 1.00 0.00 H new ATOM 1174 N ASP A 73 7.126 3.896 -5.926 1.00 0.00 N ATOM 1175 CA ASP A 73 7.604 4.021 -4.553 1.00 0.00 C ATOM 1176 C ASP A 73 7.756 5.484 -4.158 1.00 0.00 C ATOM 1177 O ASP A 73 7.721 5.836 -2.981 1.00 0.00 O ATOM 1178 CB ASP A 73 8.934 3.273 -4.371 1.00 0.00 C ATOM 1179 CG ASP A 73 10.046 3.805 -5.249 1.00 0.00 C ATOM 1180 OD1 ASP A 73 9.911 3.731 -6.488 1.00 0.00 O ATOM 1181 OD2 ASP A 73 11.066 4.274 -4.706 1.00 0.00 O ATOM 0 H ASP A 73 7.816 3.519 -6.576 1.00 0.00 H new ATOM 0 HA ASP A 73 6.861 3.569 -3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.241 3.341 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.781 2.216 -4.590 1.00 0.00 H new ATOM 1186 N ASN A 74 7.888 6.346 -5.146 1.00 0.00 N ATOM 1187 CA ASN A 74 8.046 7.765 -4.892 1.00 0.00 C ATOM 1188 C ASN A 74 6.708 8.454 -5.013 1.00 0.00 C ATOM 1189 O ASN A 74 6.600 9.664 -4.852 1.00 0.00 O ATOM 1190 CB ASN A 74 9.032 8.391 -5.881 1.00 0.00 C ATOM 1191 CG ASN A 74 10.239 7.521 -6.115 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.221 7.592 -5.383 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.181 6.707 -7.152 1.00 0.00 N ATOM 0 H ASN A 74 7.889 6.089 -6.133 1.00 0.00 H new ATOM 0 HA ASN A 74 8.439 7.892 -3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.527 8.570 -6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.354 9.361 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.974 6.104 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.344 6.681 -7.734 1.00 0.00 H new ATOM 1200 N HIS A 75 5.669 7.677 -5.277 1.00 0.00 N ATOM 1201 CA HIS A 75 4.341 8.238 -5.430 1.00 0.00 C ATOM 1202 C HIS A 75 3.730 8.467 -4.078 1.00 0.00 C ATOM 1203 O HIS A 75 4.009 7.736 -3.138 1.00 0.00 O ATOM 1204 CB HIS A 75 3.436 7.323 -6.261 1.00 0.00 C ATOM 1205 CG HIS A 75 3.365 7.686 -7.713 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.621 6.970 -8.635 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.927 8.708 -8.401 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.735 7.532 -9.818 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.519 8.584 -9.704 1.00 0.00 N ATOM 0 H HIS A 75 5.721 6.664 -5.389 1.00 0.00 H new ATOM 0 HA HIS A 75 4.434 9.187 -5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.794 6.297 -6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.430 7.347 -5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.573 9.475 -8.000 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.266 7.189 -10.728 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.782 9.209 -10.466 1.00 0.00 H new ATOM 1218 N THR A 76 2.940 9.495 -3.955 1.00 0.00 N ATOM 1219 CA THR A 76 2.273 9.781 -2.696 1.00 0.00 C ATOM 1220 C THR A 76 0.769 9.728 -2.863 1.00 0.00 C ATOM 1221 O THR A 76 0.254 9.951 -3.965 1.00 0.00 O ATOM 1222 CB THR A 76 2.686 11.160 -2.150 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.360 12.181 -3.095 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.165 11.187 -1.887 1.00 0.00 C ATOM 0 H THR A 76 2.736 10.155 -4.705 1.00 0.00 H new ATOM 0 HA THR A 76 2.579 9.018 -1.981 1.00 0.00 H new ATOM 0 HB THR A 76 2.146 11.340 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.625 13.054 -2.738 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.448 12.166 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.418 10.421 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.703 10.993 -2.815 1.00 0.00 H new ATOM 1232 N PRO A 77 0.032 9.434 -1.780 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.419 9.344 -1.831 1.00 0.00 C ATOM 1234 C PRO A 77 -2.044 10.674 -2.224 1.00 0.00 C ATOM 1235 O PRO A 77 -3.004 10.719 -2.982 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.821 8.951 -0.401 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.651 9.319 0.445 1.00 0.00 C ATOM 1238 CD PRO A 77 0.556 9.168 -0.426 1.00 0.00 C ATOM 0 HA PRO A 77 -1.762 8.627 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.719 9.481 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.039 7.885 -0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.742 10.342 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.584 8.672 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.341 9.874 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.985 8.169 -0.350 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.474 11.768 -1.735 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.996 13.087 -2.042 1.00 0.00 C ATOM 1248 C LYS A 78 -1.830 13.404 -3.528 1.00 0.00 C ATOM 1249 O LYS A 78 -2.733 13.936 -4.163 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.313 14.163 -1.194 1.00 0.00 C ATOM 1251 CG LYS A 78 0.169 14.292 -1.463 1.00 0.00 C ATOM 1252 CD LYS A 78 0.694 15.644 -1.054 1.00 0.00 C ATOM 1253 CE LYS A 78 2.039 15.895 -1.690 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.523 17.273 -1.442 1.00 0.00 N ATOM 0 H LYS A 78 -0.655 11.765 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.059 13.085 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.793 15.123 -1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.464 13.933 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.706 13.514 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.362 14.133 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.009 16.421 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.782 15.695 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.764 15.181 -1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.970 15.723 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.450 17.403 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.845 17.955 -1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.615 17.430 -0.418 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.676 13.046 -4.090 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.391 13.321 -5.488 1.00 0.00 C ATOM 1270 C GLU A 79 -1.237 12.459 -6.402 1.00 0.00 C ATOM 1271 O GLU A 79 -1.662 12.896 -7.474 1.00 0.00 O ATOM 1272 CB GLU A 79 1.081 13.099 -5.790 1.00 0.00 C ATOM 1273 CG GLU A 79 1.972 14.276 -5.443 1.00 0.00 C ATOM 1274 CD GLU A 79 1.645 15.507 -6.251 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.736 15.444 -7.496 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.317 16.547 -5.647 1.00 0.00 O ATOM 0 H GLU A 79 0.074 12.565 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.639 14.366 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.425 12.223 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.193 12.874 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.870 14.504 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.013 14.001 -5.611 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.485 11.225 -5.989 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.291 10.324 -6.797 1.00 0.00 C ATOM 1285 C LEU A 80 -3.773 10.648 -6.650 1.00 0.00 C ATOM 1286 O LEU A 80 -4.610 10.112 -7.364 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.013 8.853 -6.448 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.537 8.410 -6.500 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.424 6.924 -6.767 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.240 9.193 -7.535 1.00 0.00 C ATOM 0 H LEU A 80 -1.145 10.829 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.010 10.472 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.394 8.661 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.584 8.225 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.101 8.619 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.628 6.639 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.926 6.372 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.892 6.689 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.276 8.855 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.202 9.035 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.207 10.254 -7.289 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.086 11.539 -5.726 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.464 11.959 -5.528 1.00 0.00 C ATOM 1304 C GLY A 81 -6.240 11.019 -4.630 1.00 0.00 C ATOM 1305 O GLY A 81 -7.420 10.741 -4.867 1.00 0.00 O ATOM 0 H GLY A 81 -3.411 11.984 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.476 12.960 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.962 12.024 -6.495 1.00 0.00 H new ATOM 1309 N MET A 82 -5.591 10.526 -3.599 1.00 0.00 N ATOM 1310 CA MET A 82 -6.221 9.628 -2.651 1.00 0.00 C ATOM 1311 C MET A 82 -6.611 10.393 -1.403 1.00 0.00 C ATOM 1312 O MET A 82 -6.108 11.491 -1.150 1.00 0.00 O ATOM 1313 CB MET A 82 -5.265 8.497 -2.272 1.00 0.00 C ATOM 1314 CG MET A 82 -4.801 7.656 -3.443 1.00 0.00 C ATOM 1315 SD MET A 82 -3.506 6.490 -2.978 1.00 0.00 S ATOM 1316 CE MET A 82 -3.102 5.790 -4.570 1.00 0.00 C ATOM 0 H MET A 82 -4.614 10.734 -3.392 1.00 0.00 H new ATOM 0 HA MET A 82 -7.111 9.202 -3.114 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.392 8.924 -1.778 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.757 7.849 -1.546 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.650 7.108 -3.853 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.432 8.310 -4.233 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.113 5.334 -4.526 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.840 5.032 -4.832 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.106 6.576 -5.325 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.489 9.823 -0.622 1.00 0.00 N ATOM 1327 CA GLU A 83 -7.947 10.445 0.601 1.00 0.00 C ATOM 1328 C GLU A 83 -8.164 9.387 1.670 1.00 0.00 C ATOM 1329 O GLU A 83 -7.804 8.225 1.480 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.226 11.237 0.327 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.294 10.437 -0.394 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.234 11.316 -1.181 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -10.874 11.709 -2.313 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.335 11.622 -0.677 1.00 0.00 O ATOM 0 H GLU A 83 -7.910 8.914 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.191 11.139 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.630 11.597 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.978 12.116 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.818 9.724 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.864 9.858 0.333 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.740 9.769 2.797 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.955 8.821 3.871 1.00 0.00 C ATOM 1343 C GLU A 84 -10.022 7.808 3.504 1.00 0.00 C ATOM 1344 O GLU A 84 -11.040 8.147 2.902 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.294 9.523 5.188 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.531 10.399 5.142 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.831 11.026 6.485 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -9.934 11.674 7.055 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -11.954 10.855 6.991 1.00 0.00 O ATOM 0 H GLU A 84 -9.063 10.717 2.989 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.018 8.284 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.430 8.767 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.443 10.135 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.392 11.184 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.385 9.803 4.821 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.746 6.550 3.821 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.632 5.418 3.575 1.00 0.00 C ATOM 1358 C GLU A 85 -10.629 5.019 2.089 1.00 0.00 C ATOM 1359 O GLU A 85 -11.399 4.151 1.656 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.049 5.687 4.082 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.798 4.431 4.478 1.00 0.00 C ATOM 1362 CD GLU A 85 -12.106 3.657 5.586 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -12.243 4.058 6.766 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -11.432 2.642 5.289 1.00 0.00 O ATOM 0 H GLU A 85 -8.871 6.280 4.271 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.245 4.572 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.998 6.356 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.611 6.206 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.803 4.700 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.906 3.788 3.605 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.766 5.670 1.300 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.627 5.352 -0.126 1.00 0.00 C ATOM 1373 C ASP A 86 -9.137 3.924 -0.323 1.00 0.00 C ATOM 1374 O ASP A 86 -8.593 3.297 0.596 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.671 6.316 -0.816 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.133 6.693 -2.206 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.616 5.807 -2.946 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.048 7.887 -2.553 1.00 0.00 O ATOM 0 H ASP A 86 -9.154 6.419 1.624 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.615 5.454 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.571 7.218 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.682 5.862 -0.876 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.309 3.405 -1.519 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.947 2.036 -1.809 1.00 0.00 C ATOM 1385 C VAL A 87 -8.056 1.936 -3.049 1.00 0.00 C ATOM 1386 O VAL A 87 -8.217 2.682 -4.017 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.213 1.160 -2.004 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.043 1.650 -3.183 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.847 -0.307 -2.172 1.00 0.00 C ATOM 0 H VAL A 87 -9.700 3.915 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.383 1.666 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.820 1.253 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.924 1.018 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.356 2.679 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.445 1.605 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.755 -0.895 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.206 -0.424 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.318 -0.654 -1.284 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.119 1.009 -3.013 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.217 0.770 -4.122 1.00 0.00 C ATOM 1401 C ILE A 88 -6.474 -0.634 -4.670 1.00 0.00 C ATOM 1402 O ILE A 88 -6.937 -1.519 -3.935 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.728 0.907 -3.683 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.520 2.203 -2.893 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.793 0.868 -4.882 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.573 2.017 -1.392 1.00 0.00 C ATOM 0 H ILE A 88 -6.961 0.399 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.402 1.517 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.491 0.059 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.555 2.631 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.283 2.924 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.762 0.966 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.914 -0.080 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.032 1.690 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.417 2.977 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.547 1.618 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.793 1.321 -1.084 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.181 -0.860 -5.938 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.459 -2.144 -6.549 1.00 0.00 C ATOM 1420 C GLU A 89 -5.176 -2.917 -6.793 1.00 0.00 C ATOM 1421 O GLU A 89 -4.148 -2.347 -7.175 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.224 -1.963 -7.857 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.669 -3.272 -8.482 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.580 -4.067 -7.573 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -8.070 -4.868 -6.776 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.815 -3.891 -7.655 1.00 0.00 O ATOM 0 H GLU A 89 -5.753 -0.175 -6.560 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.079 -2.717 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.100 -1.340 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.594 -1.426 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.186 -3.066 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.792 -3.871 -8.726 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.218 -4.209 -6.540 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.074 -5.060 -6.731 1.00 0.00 C ATOM 1435 C VAL A 90 -4.436 -6.280 -7.574 1.00 0.00 C ATOM 1436 O VAL A 90 -5.443 -6.948 -7.337 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.515 -5.524 -5.374 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.303 -6.428 -5.557 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.170 -4.325 -4.513 1.00 0.00 C ATOM 0 H VAL A 90 -6.048 -4.693 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.314 -4.482 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.285 -6.106 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.931 -6.739 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.589 -7.308 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.521 -5.885 -6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.776 -4.666 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.420 -3.718 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.066 -3.728 -4.344 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.604 -6.574 -8.548 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.808 -7.716 -9.422 1.00 0.00 C ATOM 1451 C TYR A 91 -2.641 -8.683 -9.287 1.00 0.00 C ATOM 1452 O TYR A 91 -1.716 -8.434 -8.524 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.941 -7.265 -10.874 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.219 -6.522 -11.191 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.354 -7.206 -11.603 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.286 -5.140 -11.097 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.520 -6.535 -11.908 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.448 -4.463 -11.406 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.560 -5.164 -11.809 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.720 -4.490 -12.117 1.00 0.00 O ATOM 0 H TYR A 91 -2.767 -6.031 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.730 -8.218 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.094 -6.625 -11.120 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.877 -8.141 -11.519 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.324 -8.282 -11.686 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.416 -4.586 -10.777 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.396 -7.083 -12.223 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.484 -3.386 -11.332 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.582 -3.528 -11.994 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.677 -9.780 -10.013 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.602 -10.760 -9.969 1.00 0.00 C ATOM 1472 C GLN A 92 -0.804 -10.750 -11.277 1.00 0.00 C ATOM 1473 O GLN A 92 -1.381 -10.783 -12.364 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.170 -12.159 -9.739 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.139 -13.164 -9.264 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.885 -13.058 -7.775 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.506 -13.750 -6.988 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.018 -12.180 -7.381 1.00 0.00 N ATOM 0 H GLN A 92 -3.441 -10.020 -10.645 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.939 -10.495 -9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.972 -12.100 -9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.614 -12.518 -10.667 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.479 -14.172 -9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.205 -13.007 -9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.518 -11.618 -8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.216 -12.063 -6.387 1.00 0.00 H new ATOM 1487 N GLU A 93 0.522 -10.707 -11.174 1.00 0.00 N ATOM 1488 CA GLU A 93 1.386 -10.739 -12.352 1.00 0.00 C ATOM 1489 C GLU A 93 2.420 -11.865 -12.235 1.00 0.00 C ATOM 1490 O GLU A 93 3.453 -11.842 -12.902 1.00 0.00 O ATOM 1491 CB GLU A 93 2.098 -9.391 -12.568 1.00 0.00 C ATOM 1492 CG GLU A 93 3.017 -8.965 -11.429 1.00 0.00 C ATOM 1493 CD GLU A 93 3.953 -7.833 -11.826 1.00 0.00 C ATOM 1494 OE1 GLU A 93 3.579 -6.652 -11.662 1.00 0.00 O ATOM 1495 OE2 GLU A 93 5.074 -8.120 -12.306 1.00 0.00 O ATOM 0 H GLU A 93 1.022 -10.650 -10.287 1.00 0.00 H new ATOM 0 HA GLU A 93 0.750 -10.929 -13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.683 -9.448 -13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.344 -8.618 -12.717 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.413 -8.651 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.607 -9.822 -11.103 1.00 0.00 H new