USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 672 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 Single : A 26 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.4!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 60 MET CE :methyl -149:sc= -0.0715 (180deg=-0.898) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -117:sc= 1.01 (180deg=0.0286) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.0297 (180deg=-0.122) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= 0.00954 (180deg=-0.856) USER MOD Single : A 103 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 0.898 8.022 -6.173 1.00 0.00 N ATOM 308 CA HIS A 26 1.277 8.433 -4.832 1.00 0.00 C ATOM 309 C HIS A 26 2.047 7.303 -4.146 1.00 0.00 C ATOM 310 O HIS A 26 1.679 6.135 -4.264 1.00 0.00 O ATOM 311 CB HIS A 26 0.051 8.883 -4.035 1.00 0.00 C ATOM 312 CG HIS A 26 0.383 9.606 -2.752 1.00 0.00 C ATOM 313 ND1 HIS A 26 0.852 8.954 -1.624 1.00 0.00 N ATOM 314 CD2 HIS A 26 0.311 10.929 -2.429 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.049 9.854 -0.672 1.00 0.00 C ATOM 316 NE2 HIS A 26 0.713 11.077 -1.173 1.00 0.00 N ATOM 0 HA HIS A 26 1.940 9.296 -4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.557 9.536 -4.661 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.558 8.010 -3.801 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.018 11.722 -3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.412 9.654 0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.763 11.960 -0.666 1.00 0.00 H new ATOM 324 N PRO A 27 3.130 7.700 -3.426 1.00 0.00 N ATOM 325 CA PRO A 27 3.955 6.733 -2.722 1.00 0.00 C ATOM 326 C PRO A 27 3.255 6.233 -1.457 1.00 0.00 C ATOM 327 O PRO A 27 3.376 5.063 -1.098 1.00 0.00 O ATOM 328 CB PRO A 27 5.256 7.465 -2.431 1.00 0.00 C ATOM 329 CG PRO A 27 4.941 8.946 -2.567 1.00 0.00 C ATOM 330 CD PRO A 27 3.596 9.074 -3.264 1.00 0.00 C ATOM 0 HA PRO A 27 4.142 5.833 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.619 7.233 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.037 7.166 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.910 9.421 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.718 9.451 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.896 9.662 -2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.695 9.575 -4.227 1.00 0.00 H new ATOM 338 N GLY A 28 2.538 7.144 -0.816 1.00 0.00 N ATOM 339 CA GLY A 28 1.818 6.810 0.401 1.00 0.00 C ATOM 340 C GLY A 28 0.910 5.598 0.185 1.00 0.00 C ATOM 341 O GLY A 28 0.784 4.748 1.065 1.00 0.00 O ATOM 0 H GLY A 28 2.440 8.114 -1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.527 6.600 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.221 7.664 0.721 1.00 0.00 H new ATOM 345 N VAL A 29 0.300 5.557 -0.991 1.00 0.00 N ATOM 346 CA VAL A 29 -0.592 4.462 -1.333 1.00 0.00 C ATOM 347 C VAL A 29 0.231 3.197 -1.580 1.00 0.00 C ATOM 348 O VAL A 29 0.028 2.181 -0.917 1.00 0.00 O ATOM 349 CB VAL A 29 -1.463 4.852 -2.529 1.00 0.00 C ATOM 350 CG1 VAL A 29 -2.447 3.734 -2.879 1.00 0.00 C ATOM 351 CG2 VAL A 29 -2.199 6.168 -2.266 1.00 0.00 C ATOM 0 H VAL A 29 0.406 6.264 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.272 4.251 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.807 5.001 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.054 4.037 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.895 2.828 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.095 3.539 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.811 6.422 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.838 6.059 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.473 6.962 -2.089 1.00 0.00 H new ATOM 361 N LEU A 30 1.142 3.299 -2.536 1.00 0.00 N ATOM 362 CA LEU A 30 1.996 2.175 -2.879 1.00 0.00 C ATOM 363 C LEU A 30 2.464 1.485 -1.596 1.00 0.00 C ATOM 364 O LEU A 30 2.645 0.269 -1.571 1.00 0.00 O ATOM 365 CB LEU A 30 3.142 2.630 -3.785 1.00 0.00 C ATOM 366 CG LEU A 30 2.734 3.329 -5.083 1.00 0.00 C ATOM 367 CD1 LEU A 30 3.743 4.415 -5.462 1.00 0.00 C ATOM 368 CD2 LEU A 30 2.531 2.316 -6.212 1.00 0.00 C ATOM 0 H LEU A 30 1.307 4.143 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 30 1.439 1.435 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.781 3.306 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.746 1.759 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 30 1.776 3.823 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.429 4.896 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.794 5.158 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.726 3.965 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.242 2.840 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.460 1.773 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.746 1.613 -5.933 1.00 0.00 H new ATOM 380 N LYS A 31 2.647 2.292 -0.561 1.00 0.00 N ATOM 381 CA LYS A 31 3.090 1.775 0.723 1.00 0.00 C ATOM 382 C LYS A 31 2.434 0.416 0.974 1.00 0.00 C ATOM 383 O LYS A 31 3.092 -0.521 1.424 1.00 0.00 O ATOM 384 CB LYS A 31 2.829 2.797 1.831 1.00 0.00 C ATOM 385 CG LYS A 31 3.967 2.798 2.854 1.00 0.00 C ATOM 386 CD LYS A 31 4.113 4.173 3.510 1.00 0.00 C ATOM 387 CE LYS A 31 5.565 4.653 3.459 1.00 0.00 C ATOM 388 NZ LYS A 31 5.702 5.790 2.521 1.00 0.00 N ATOM 0 H LYS A 31 2.496 3.301 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 31 4.168 1.614 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.725 3.791 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.887 2.566 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.775 2.045 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.901 2.524 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.470 4.892 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.779 4.123 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.890 4.954 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.214 3.835 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.693 6.104 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.411 5.491 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.098 6.575 2.837 1.00 0.00 H new ATOM 402 N VAL A 32 1.146 0.351 0.671 1.00 0.00 N ATOM 403 CA VAL A 32 0.394 -0.878 0.858 1.00 0.00 C ATOM 404 C VAL A 32 0.704 -1.840 -0.290 1.00 0.00 C ATOM 405 O VAL A 32 0.939 -3.026 -0.065 1.00 0.00 O ATOM 406 CB VAL A 32 -1.098 -0.564 0.990 1.00 0.00 C ATOM 407 CG1 VAL A 32 -1.315 0.819 1.607 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.803 -0.678 -0.363 1.00 0.00 C ATOM 0 H VAL A 32 0.604 1.130 0.297 1.00 0.00 H new ATOM 0 HA VAL A 32 0.691 -1.371 1.784 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.538 -1.302 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.384 1.017 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.863 0.850 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.854 1.577 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.862 -0.450 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.358 0.027 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.692 -1.692 -0.747 1.00 0.00 H new ATOM 418 N GLU A 33 0.693 -1.293 -1.497 1.00 0.00 N ATOM 419 CA GLU A 33 0.970 -2.088 -2.681 1.00 0.00 C ATOM 420 C GLU A 33 2.316 -2.802 -2.539 1.00 0.00 C ATOM 421 O GLU A 33 2.477 -3.929 -3.005 1.00 0.00 O ATOM 422 CB GLU A 33 0.940 -1.222 -3.942 1.00 0.00 C ATOM 423 CG GLU A 33 -0.431 -0.567 -4.124 1.00 0.00 C ATOM 424 CD GLU A 33 -0.945 -0.759 -5.552 1.00 0.00 C ATOM 425 OE1 GLU A 33 -0.546 0.053 -6.414 1.00 0.00 O ATOM 426 OE2 GLU A 33 -1.727 -1.715 -5.750 1.00 0.00 O ATOM 0 H GLU A 33 0.497 -0.309 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 33 0.189 -2.842 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.709 -0.452 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.173 -1.834 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.140 -0.998 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.362 0.497 -3.898 1.00 0.00 H new ATOM 433 N ALA A 34 3.247 -2.117 -1.892 1.00 0.00 N ATOM 434 CA ALA A 34 4.574 -2.672 -1.682 1.00 0.00 C ATOM 435 C ALA A 34 4.457 -3.981 -0.899 1.00 0.00 C ATOM 436 O ALA A 34 5.213 -4.921 -1.137 1.00 0.00 O ATOM 437 CB ALA A 34 5.451 -1.641 -0.968 1.00 0.00 C ATOM 0 H ALA A 34 3.109 -1.183 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 34 5.050 -2.901 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.446 -2.057 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.526 -0.742 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.006 -1.389 -0.005 1.00 0.00 H new ATOM 443 N ILE A 35 3.503 -3.999 0.021 1.00 0.00 N ATOM 444 CA ILE A 35 3.277 -5.177 0.841 1.00 0.00 C ATOM 445 C ILE A 35 2.402 -6.169 0.071 1.00 0.00 C ATOM 446 O ILE A 35 2.736 -7.349 -0.029 1.00 0.00 O ATOM 447 CB ILE A 35 2.704 -4.780 2.203 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.740 -4.021 3.033 1.00 0.00 C ATOM 449 CG2 ILE A 35 2.157 -6.001 2.945 1.00 0.00 C ATOM 450 CD1 ILE A 35 3.078 -2.914 3.857 1.00 0.00 C ATOM 0 H ILE A 35 2.878 -3.217 0.216 1.00 0.00 H new ATOM 0 HA ILE A 35 4.220 -5.681 1.052 1.00 0.00 H new ATOM 0 HB ILE A 35 1.866 -4.103 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.258 -4.713 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.493 -3.588 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.756 -5.691 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.365 -6.461 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.960 -6.722 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.837 -2.390 4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.582 -2.210 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.343 -3.353 4.532 1.00 0.00 H new ATOM 462 N LEU A 36 1.300 -5.654 -0.453 1.00 0.00 N ATOM 463 CA LEU A 36 0.375 -6.480 -1.211 1.00 0.00 C ATOM 464 C LEU A 36 1.167 -7.432 -2.110 1.00 0.00 C ATOM 465 O LEU A 36 0.921 -8.637 -2.113 1.00 0.00 O ATOM 466 CB LEU A 36 -0.625 -5.606 -1.970 1.00 0.00 C ATOM 467 CG LEU A 36 -1.911 -5.252 -1.221 1.00 0.00 C ATOM 468 CD1 LEU A 36 -2.858 -4.442 -2.109 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.583 -6.507 -0.661 1.00 0.00 C ATOM 0 H LEU A 36 1.026 -4.675 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.222 -7.098 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.126 -4.679 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.895 -6.117 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.649 -4.621 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.764 -4.204 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.368 -3.518 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.118 -5.026 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.495 -6.227 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.830 -7.183 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.903 -7.006 0.029 1.00 0.00 H new ATOM 481 N GLU A 37 2.101 -6.854 -2.851 1.00 0.00 N ATOM 482 CA GLU A 37 2.930 -7.636 -3.752 1.00 0.00 C ATOM 483 C GLU A 37 3.341 -8.952 -3.088 1.00 0.00 C ATOM 484 O GLU A 37 3.356 -9.999 -3.734 1.00 0.00 O ATOM 485 CB GLU A 37 4.158 -6.840 -4.197 1.00 0.00 C ATOM 486 CG GLU A 37 4.068 -6.477 -5.681 1.00 0.00 C ATOM 487 CD GLU A 37 5.341 -5.769 -6.151 1.00 0.00 C ATOM 488 OE1 GLU A 37 5.834 -4.918 -5.379 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.790 -6.093 -7.271 1.00 0.00 O ATOM 0 H GLU A 37 2.302 -5.854 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 37 2.346 -7.868 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.242 -5.931 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.060 -7.425 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.911 -7.380 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.206 -5.832 -5.850 1.00 0.00 H new ATOM 496 N LYS A 38 3.665 -8.855 -1.807 1.00 0.00 N ATOM 497 CA LYS A 38 4.075 -10.025 -1.049 1.00 0.00 C ATOM 498 C LYS A 38 2.848 -10.887 -0.746 1.00 0.00 C ATOM 499 O LYS A 38 2.898 -12.110 -0.868 1.00 0.00 O ATOM 500 CB LYS A 38 4.857 -9.608 0.199 1.00 0.00 C ATOM 501 CG LYS A 38 6.176 -8.933 -0.181 1.00 0.00 C ATOM 502 CD LYS A 38 6.625 -7.955 0.906 1.00 0.00 C ATOM 503 CE LYS A 38 8.130 -7.695 0.822 1.00 0.00 C ATOM 504 NZ LYS A 38 8.882 -8.784 1.484 1.00 0.00 N ATOM 0 H LYS A 38 3.652 -7.985 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 38 4.759 -10.638 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.255 -8.926 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.057 -10.484 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.945 -9.690 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.058 -8.403 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.084 -7.015 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.376 -8.358 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.434 -7.618 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.367 -6.742 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.902 -8.592 1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.604 -8.839 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.669 -9.688 1.015 1.00 0.00 H new ATOM 518 N VAL A 39 1.774 -10.216 -0.355 1.00 0.00 N ATOM 519 CA VAL A 39 0.536 -10.905 -0.034 1.00 0.00 C ATOM 520 C VAL A 39 0.196 -11.885 -1.159 1.00 0.00 C ATOM 521 O VAL A 39 -0.089 -13.054 -0.904 1.00 0.00 O ATOM 522 CB VAL A 39 -0.576 -9.888 0.230 1.00 0.00 C ATOM 523 CG1 VAL A 39 -1.923 -10.587 0.423 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.238 -9.006 1.433 1.00 0.00 C ATOM 0 H VAL A 39 1.736 -9.202 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 39 0.649 -11.487 0.881 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.656 -9.243 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.696 -9.842 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.172 -11.152 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.862 -11.266 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.045 -8.292 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.117 -9.630 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.689 -8.467 1.240 1.00 0.00 H new ATOM 534 N GLN A 40 0.238 -11.372 -2.380 1.00 0.00 N ATOM 535 CA GLN A 40 -0.063 -12.186 -3.545 1.00 0.00 C ATOM 536 C GLN A 40 0.566 -13.573 -3.399 1.00 0.00 C ATOM 537 O GLN A 40 -0.080 -14.584 -3.674 1.00 0.00 O ATOM 538 CB GLN A 40 0.410 -11.502 -4.829 1.00 0.00 C ATOM 539 CG GLN A 40 -0.321 -10.176 -5.045 1.00 0.00 C ATOM 540 CD GLN A 40 -1.260 -10.258 -6.251 1.00 0.00 C ATOM 541 OE1 GLN A 40 -1.019 -10.972 -7.210 1.00 0.00 O ATOM 542 NE2 GLN A 40 -2.339 -9.488 -6.149 1.00 0.00 N ATOM 0 H GLN A 40 0.476 -10.402 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.145 -12.304 -3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.484 -11.325 -4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.237 -12.160 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.892 -9.921 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.405 -9.377 -5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.479 -8.914 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.027 -9.471 -6.902 1.00 0.00 H new ATOM 551 N GLY A 41 1.818 -13.578 -2.966 1.00 0.00 N ATOM 552 CA GLY A 41 2.541 -14.824 -2.780 1.00 0.00 C ATOM 553 C GLY A 41 1.846 -15.713 -1.746 1.00 0.00 C ATOM 554 O GLY A 41 1.759 -16.927 -1.924 1.00 0.00 O ATOM 0 H GLY A 41 2.350 -12.738 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.612 -15.353 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.560 -14.612 -2.456 1.00 0.00 H new ATOM 558 N LEU A 42 1.369 -15.073 -0.689 1.00 0.00 N ATOM 559 CA LEU A 42 0.684 -15.790 0.374 1.00 0.00 C ATOM 560 C LEU A 42 -0.677 -16.269 -0.136 1.00 0.00 C ATOM 561 O LEU A 42 -1.238 -17.229 0.391 1.00 0.00 O ATOM 562 CB LEU A 42 0.600 -14.927 1.634 1.00 0.00 C ATOM 563 CG LEU A 42 1.935 -14.472 2.226 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.718 -13.499 3.387 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.790 -15.672 2.637 1.00 0.00 C ATOM 0 H LEU A 42 1.443 -14.066 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 42 1.248 -16.678 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.006 -14.042 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.058 -15.486 2.397 1.00 0.00 H new ATOM 0 HG LEU A 42 2.485 -13.934 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.683 -13.192 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.177 -12.622 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.139 -13.989 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.733 -15.321 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.258 -16.259 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.989 -16.293 1.764 1.00 0.00 H new ATOM 577 N GLU A 43 -1.169 -15.578 -1.154 1.00 0.00 N ATOM 578 CA GLU A 43 -2.453 -15.922 -1.740 1.00 0.00 C ATOM 579 C GLU A 43 -2.334 -17.202 -2.568 1.00 0.00 C ATOM 580 O GLU A 43 -3.077 -18.158 -2.351 1.00 0.00 O ATOM 581 CB GLU A 43 -2.995 -14.769 -2.587 1.00 0.00 C ATOM 582 CG GLU A 43 -4.523 -14.719 -2.534 1.00 0.00 C ATOM 583 CD GLU A 43 -5.139 -15.735 -3.498 1.00 0.00 C ATOM 584 OE1 GLU A 43 -5.206 -15.406 -4.702 1.00 0.00 O ATOM 585 OE2 GLU A 43 -5.528 -16.818 -3.010 1.00 0.00 O ATOM 0 H GLU A 43 -0.702 -14.782 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.162 -16.101 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.584 -13.825 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.667 -14.887 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.862 -14.924 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.867 -13.716 -2.788 1.00 0.00 H new ATOM 592 N GLN A 44 -1.392 -17.180 -3.500 1.00 0.00 N ATOM 593 CA GLN A 44 -1.166 -18.328 -4.362 1.00 0.00 C ATOM 594 C GLN A 44 -1.155 -19.617 -3.538 1.00 0.00 C ATOM 595 O GLN A 44 -1.715 -20.629 -3.955 1.00 0.00 O ATOM 596 CB GLN A 44 0.135 -18.171 -5.153 1.00 0.00 C ATOM 597 CG GLN A 44 -0.059 -17.233 -6.346 1.00 0.00 C ATOM 598 CD GLN A 44 0.103 -17.987 -7.668 1.00 0.00 C ATOM 599 OE1 GLN A 44 -0.796 -18.662 -8.142 1.00 0.00 O ATOM 600 NE2 GLN A 44 1.297 -17.835 -8.234 1.00 0.00 N ATOM 0 H GLN A 44 -0.777 -16.386 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.985 -18.386 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.916 -17.780 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.472 -19.147 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.050 -16.781 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.665 -16.420 -6.296 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.005 -17.255 -7.783 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.505 -18.298 -9.119 1.00 0.00 H new ATOM 609 N ALA A 45 -0.510 -19.537 -2.384 1.00 0.00 N ATOM 610 CA ALA A 45 -0.418 -20.685 -1.497 1.00 0.00 C ATOM 611 C ALA A 45 -1.827 -21.149 -1.123 1.00 0.00 C ATOM 612 O ALA A 45 -2.100 -22.348 -1.086 1.00 0.00 O ATOM 613 CB ALA A 45 0.419 -20.318 -0.270 1.00 0.00 C ATOM 0 H ALA A 45 -0.046 -18.695 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 45 0.082 -21.515 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.487 -21.179 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.420 -20.024 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.053 -19.489 0.258 1.00 0.00 H new ATOM 619 N VAL A 46 -2.685 -20.176 -0.857 1.00 0.00 N ATOM 620 CA VAL A 46 -4.059 -20.470 -0.488 1.00 0.00 C ATOM 621 C VAL A 46 -4.775 -21.114 -1.676 1.00 0.00 C ATOM 622 O VAL A 46 -5.162 -22.280 -1.614 1.00 0.00 O ATOM 623 CB VAL A 46 -4.751 -19.198 0.009 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.273 -19.351 -0.031 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.274 -18.828 1.415 1.00 0.00 C ATOM 0 H VAL A 46 -2.455 -19.183 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.089 -21.184 0.335 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.478 -18.384 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.740 -18.434 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.592 -19.545 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.572 -20.183 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.781 -17.921 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.503 -19.642 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.198 -18.657 1.401 1.00 0.00 H new ATOM 635 N ASP A 47 -4.930 -20.327 -2.731 1.00 0.00 N ATOM 636 CA ASP A 47 -5.593 -20.807 -3.931 1.00 0.00 C ATOM 637 C ASP A 47 -5.011 -22.167 -4.321 1.00 0.00 C ATOM 638 O ASP A 47 -5.668 -22.957 -4.998 1.00 0.00 O ATOM 639 CB ASP A 47 -5.376 -19.846 -5.102 1.00 0.00 C ATOM 640 CG ASP A 47 -6.392 -19.972 -6.239 1.00 0.00 C ATOM 641 OD1 ASP A 47 -6.283 -20.965 -6.990 1.00 0.00 O ATOM 642 OD2 ASP A 47 -7.254 -19.072 -6.331 1.00 0.00 O ATOM 0 H ASP A 47 -4.608 -19.360 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.660 -20.883 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.402 -18.824 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.378 -20.011 -5.507 1.00 0.00 H new ATOM 647 N SER A 48 -3.784 -22.399 -3.878 1.00 0.00 N ATOM 648 CA SER A 48 -3.106 -23.650 -4.173 1.00 0.00 C ATOM 649 C SER A 48 -2.781 -24.387 -2.872 1.00 0.00 C ATOM 650 O SER A 48 -1.735 -25.025 -2.761 1.00 0.00 O ATOM 651 CB SER A 48 -1.828 -23.407 -4.979 1.00 0.00 C ATOM 652 OG SER A 48 -1.729 -24.283 -6.098 1.00 0.00 O ATOM 0 H SER A 48 -3.242 -21.742 -3.317 1.00 0.00 H new ATOM 0 HA SER A 48 -3.772 -24.267 -4.777 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.808 -22.373 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.960 -23.544 -4.333 1.00 0.00 H new ATOM 0 HG SER A 48 -0.901 -24.096 -6.588 1.00 0.00 H new ATOM 658 N PHE A 49 -3.697 -24.277 -1.922 1.00 0.00 N ATOM 659 CA PHE A 49 -3.521 -24.925 -0.634 1.00 0.00 C ATOM 660 C PHE A 49 -4.292 -26.246 -0.575 1.00 0.00 C ATOM 661 O PHE A 49 -5.058 -26.563 -1.483 1.00 0.00 O ATOM 662 CB PHE A 49 -4.082 -23.975 0.426 1.00 0.00 C ATOM 663 CG PHE A 49 -4.208 -24.599 1.817 1.00 0.00 C ATOM 664 CD1 PHE A 49 -3.093 -24.845 2.556 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.436 -24.907 2.315 1.00 0.00 C ATOM 666 CE1 PHE A 49 -3.211 -25.424 3.848 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.553 -25.486 3.606 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.438 -25.732 4.345 1.00 0.00 C ATOM 0 H PHE A 49 -4.564 -23.748 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.466 -25.142 -0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.439 -23.097 0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.064 -23.628 0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.118 -24.600 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.321 -24.711 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.326 -25.619 4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.528 -25.731 4.001 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.528 -26.172 5.327 1.00 0.00 H new ATOM 678 N GLU A 50 -4.061 -26.981 0.503 1.00 0.00 N ATOM 679 CA GLU A 50 -4.724 -28.261 0.692 1.00 0.00 C ATOM 680 C GLU A 50 -4.541 -28.745 2.131 1.00 0.00 C ATOM 681 O GLU A 50 -3.420 -28.801 2.634 1.00 0.00 O ATOM 682 CB GLU A 50 -4.206 -29.299 -0.306 1.00 0.00 C ATOM 683 CG GLU A 50 -4.968 -29.214 -1.630 1.00 0.00 C ATOM 684 CD GLU A 50 -5.231 -30.609 -2.202 1.00 0.00 C ATOM 685 OE1 GLU A 50 -4.236 -31.263 -2.582 1.00 0.00 O ATOM 686 OE2 GLU A 50 -6.420 -30.989 -2.245 1.00 0.00 O ATOM 0 H GLU A 50 -3.424 -26.715 1.254 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.790 -28.128 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.142 -29.139 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.312 -30.299 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.914 -28.696 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.395 -28.625 -2.346 1.00 0.00 H new ATOM 693 N GLY A 51 -5.661 -29.084 2.754 1.00 0.00 N ATOM 694 CA GLY A 51 -5.639 -29.562 4.126 1.00 0.00 C ATOM 695 C GLY A 51 -6.806 -28.982 4.928 1.00 0.00 C ATOM 696 O GLY A 51 -7.877 -28.730 4.377 1.00 0.00 O ATOM 0 H GLY A 51 -6.589 -29.037 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.692 -30.651 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.696 -29.284 4.597 1.00 0.00 H new ATOM 700 N LYS A 52 -6.560 -28.788 6.215 1.00 0.00 N ATOM 701 CA LYS A 52 -7.577 -28.243 7.098 1.00 0.00 C ATOM 702 C LYS A 52 -7.054 -26.956 7.738 1.00 0.00 C ATOM 703 O LYS A 52 -6.149 -26.316 7.205 1.00 0.00 O ATOM 704 CB LYS A 52 -8.027 -29.296 8.112 1.00 0.00 C ATOM 705 CG LYS A 52 -7.940 -30.703 7.517 1.00 0.00 C ATOM 706 CD LYS A 52 -8.768 -30.807 6.234 1.00 0.00 C ATOM 707 CE LYS A 52 -9.755 -31.973 6.312 1.00 0.00 C ATOM 708 NZ LYS A 52 -9.156 -33.199 5.739 1.00 0.00 N ATOM 0 H LYS A 52 -5.671 -28.999 6.668 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.470 -27.978 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.404 -29.236 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.051 -29.092 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.900 -30.948 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.296 -31.432 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.311 -29.876 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.105 -30.943 5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.037 -32.150 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.668 -31.721 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.839 -33.981 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.909 -33.032 4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.298 -33.447 6.271 1.00 0.00 H new ATOM 722 N LYS A 53 -7.646 -26.614 8.873 1.00 0.00 N ATOM 723 CA LYS A 53 -7.251 -25.415 9.592 1.00 0.00 C ATOM 724 C LYS A 53 -6.399 -25.808 10.801 1.00 0.00 C ATOM 725 O LYS A 53 -6.371 -25.095 11.803 1.00 0.00 O ATOM 726 CB LYS A 53 -8.479 -24.577 9.951 1.00 0.00 C ATOM 727 CG LYS A 53 -9.341 -24.309 8.716 1.00 0.00 C ATOM 728 CD LYS A 53 -10.707 -23.746 9.112 1.00 0.00 C ATOM 729 CE LYS A 53 -11.837 -24.500 8.407 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.901 -24.858 9.371 1.00 0.00 N ATOM 0 H LYS A 53 -8.397 -27.147 9.312 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.633 -24.778 8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.070 -25.096 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.162 -23.631 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.831 -23.606 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.474 -25.233 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.835 -23.819 10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.756 -22.688 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.252 -23.883 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.444 -25.402 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.660 -25.369 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.504 -25.465 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.288 -23.992 9.798 1.00 0.00 H new ATOM 744 N THR A 54 -5.725 -26.941 10.667 1.00 0.00 N ATOM 745 CA THR A 54 -4.875 -27.437 11.736 1.00 0.00 C ATOM 746 C THR A 54 -3.441 -27.618 11.236 1.00 0.00 C ATOM 747 O THR A 54 -2.489 -27.243 11.920 1.00 0.00 O ATOM 748 CB THR A 54 -5.498 -28.726 12.276 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.610 -29.564 11.128 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.943 -28.530 12.737 1.00 0.00 C ATOM 0 H THR A 54 -5.750 -27.530 9.834 1.00 0.00 H new ATOM 0 HA THR A 54 -4.812 -26.721 12.556 1.00 0.00 H new ATOM 0 HB THR A 54 -4.900 -29.098 13.108 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.004 -30.423 11.387 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.337 -29.475 13.111 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.973 -27.785 13.532 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.550 -28.191 11.898 1.00 0.00 H new ATOM 758 N ASP A 55 -3.330 -28.192 10.047 1.00 0.00 N ATOM 759 CA ASP A 55 -2.028 -28.427 9.447 1.00 0.00 C ATOM 760 C ASP A 55 -1.127 -27.217 9.706 1.00 0.00 C ATOM 761 O ASP A 55 -1.548 -26.076 9.529 1.00 0.00 O ATOM 762 CB ASP A 55 -2.144 -28.615 7.934 1.00 0.00 C ATOM 763 CG ASP A 55 -3.417 -29.323 7.466 1.00 0.00 C ATOM 764 OD1 ASP A 55 -3.642 -30.458 7.940 1.00 0.00 O ATOM 765 OD2 ASP A 55 -4.136 -28.715 6.645 1.00 0.00 O ATOM 0 H ASP A 55 -4.121 -28.501 9.483 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.610 -29.331 9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.094 -27.636 7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.281 -29.184 7.586 1.00 0.00 H new ATOM 770 N LYS A 56 0.097 -27.510 10.120 1.00 0.00 N ATOM 771 CA LYS A 56 1.062 -26.461 10.405 1.00 0.00 C ATOM 772 C LYS A 56 1.147 -25.513 9.206 1.00 0.00 C ATOM 773 O LYS A 56 1.378 -24.317 9.372 1.00 0.00 O ATOM 774 CB LYS A 56 2.408 -27.065 10.808 1.00 0.00 C ATOM 775 CG LYS A 56 3.317 -26.008 11.438 1.00 0.00 C ATOM 776 CD LYS A 56 4.158 -25.302 10.373 1.00 0.00 C ATOM 777 CE LYS A 56 4.953 -24.145 10.980 1.00 0.00 C ATOM 778 NZ LYS A 56 6.398 -24.466 11.006 1.00 0.00 N ATOM 0 H LYS A 56 0.443 -28.459 10.265 1.00 0.00 H new ATOM 0 HA LYS A 56 0.738 -25.867 11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.248 -27.880 11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.895 -27.493 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.712 -25.276 11.973 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.972 -26.478 12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.841 -26.015 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.509 -24.926 9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.786 -23.238 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.601 -23.945 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.923 -23.670 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.554 -25.320 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.734 -24.634 10.036 1.00 0.00 H new ATOM 792 N LYS A 57 0.955 -26.085 8.026 1.00 0.00 N ATOM 793 CA LYS A 57 1.007 -25.306 6.801 1.00 0.00 C ATOM 794 C LYS A 57 -0.039 -24.191 6.865 1.00 0.00 C ATOM 795 O LYS A 57 0.274 -23.027 6.622 1.00 0.00 O ATOM 796 CB LYS A 57 0.860 -26.217 5.581 1.00 0.00 C ATOM 797 CG LYS A 57 1.215 -25.471 4.293 1.00 0.00 C ATOM 798 CD LYS A 57 0.894 -26.320 3.061 1.00 0.00 C ATOM 799 CE LYS A 57 2.107 -26.420 2.133 1.00 0.00 C ATOM 800 NZ LYS A 57 1.673 -26.522 0.722 1.00 0.00 N ATOM 0 H LYS A 57 0.763 -27.078 7.893 1.00 0.00 H new ATOM 0 HA LYS A 57 1.980 -24.825 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.508 -27.087 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.163 -26.587 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.661 -24.533 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.275 -25.215 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.587 -27.318 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.054 -25.882 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.744 -25.545 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.705 -27.291 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.508 -26.589 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.084 -27.370 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.121 -25.678 0.467 1.00 0.00 H new ATOM 814 N TYR A 58 -1.260 -24.587 7.193 1.00 0.00 N ATOM 815 CA TYR A 58 -2.354 -23.635 7.293 1.00 0.00 C ATOM 816 C TYR A 58 -1.978 -22.461 8.198 1.00 0.00 C ATOM 817 O TYR A 58 -2.187 -21.303 7.838 1.00 0.00 O ATOM 818 CB TYR A 58 -3.520 -24.398 7.924 1.00 0.00 C ATOM 819 CG TYR A 58 -4.783 -23.556 8.115 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.605 -23.291 7.039 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.101 -23.062 9.364 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.794 -22.498 7.219 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.290 -22.270 9.544 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.078 -22.027 8.463 1.00 0.00 C ATOM 825 OH TYR A 58 -8.200 -21.279 8.633 1.00 0.00 O ATOM 0 H TYR A 58 -1.516 -25.554 7.393 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.602 -23.230 6.312 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.760 -25.257 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.205 -24.787 8.892 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.357 -23.678 6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.458 -23.270 10.206 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.445 -22.282 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.550 -21.878 10.516 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.276 -21.012 9.573 1.00 0.00 H new ATOM 835 N LEU A 59 -1.430 -22.799 9.356 1.00 0.00 N ATOM 836 CA LEU A 59 -1.023 -21.787 10.316 1.00 0.00 C ATOM 837 C LEU A 59 -0.022 -20.837 9.656 1.00 0.00 C ATOM 838 O LEU A 59 -0.212 -19.622 9.670 1.00 0.00 O ATOM 839 CB LEU A 59 -0.498 -22.442 11.595 1.00 0.00 C ATOM 840 CG LEU A 59 -1.541 -23.146 12.466 1.00 0.00 C ATOM 841 CD1 LEU A 59 -2.108 -24.377 11.756 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.965 -23.491 13.840 1.00 0.00 C ATOM 0 H LEU A 59 -1.258 -23.760 9.651 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.879 -21.186 10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.266 -23.169 11.320 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.008 -21.676 12.197 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.371 -22.458 12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.847 -24.859 12.397 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.581 -24.073 10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.301 -25.078 11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.727 -23.990 14.439 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.107 -24.152 13.719 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.650 -22.576 14.343 1.00 0.00 H new ATOM 854 N MET A 60 1.021 -21.427 9.092 1.00 0.00 N ATOM 855 CA MET A 60 2.053 -20.648 8.427 1.00 0.00 C ATOM 856 C MET A 60 1.437 -19.534 7.579 1.00 0.00 C ATOM 857 O MET A 60 1.753 -18.360 7.766 1.00 0.00 O ATOM 858 CB MET A 60 2.890 -21.566 7.535 1.00 0.00 C ATOM 859 CG MET A 60 4.129 -22.072 8.277 1.00 0.00 C ATOM 860 SD MET A 60 5.575 -21.884 7.248 1.00 0.00 S ATOM 861 CE MET A 60 5.054 -22.803 5.809 1.00 0.00 C ATOM 0 H MET A 60 1.174 -22.435 9.081 1.00 0.00 H new ATOM 0 HA MET A 60 2.686 -20.192 9.188 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.286 -22.413 7.210 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.194 -21.028 6.637 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.259 -21.517 9.206 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.999 -23.120 8.547 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.923 -23.257 5.333 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.355 -23.584 6.109 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.565 -22.130 5.105 1.00 0.00 H new ATOM 871 N ILE A 61 0.568 -19.940 6.665 1.00 0.00 N ATOM 872 CA ILE A 61 -0.095 -18.991 5.788 1.00 0.00 C ATOM 873 C ILE A 61 -0.879 -17.985 6.632 1.00 0.00 C ATOM 874 O ILE A 61 -0.880 -16.790 6.340 1.00 0.00 O ATOM 875 CB ILE A 61 -0.950 -19.724 4.753 1.00 0.00 C ATOM 876 CG1 ILE A 61 -0.078 -20.565 3.818 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.838 -18.745 3.982 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.884 -21.708 3.198 1.00 0.00 C ATOM 0 H ILE A 61 0.308 -20.914 6.513 1.00 0.00 H new ATOM 0 HA ILE A 61 0.639 -18.424 5.216 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.611 -20.411 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.330 -19.933 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.769 -20.971 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.435 -19.292 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.499 -18.228 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.213 -18.016 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.241 -22.290 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.270 -22.351 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.716 -21.298 2.625 1.00 0.00 H new ATOM 890 N GLU A 62 -1.529 -18.505 7.663 1.00 0.00 N ATOM 891 CA GLU A 62 -2.316 -17.667 8.552 1.00 0.00 C ATOM 892 C GLU A 62 -1.466 -16.510 9.082 1.00 0.00 C ATOM 893 O GLU A 62 -1.788 -15.345 8.855 1.00 0.00 O ATOM 894 CB GLU A 62 -2.903 -18.488 9.702 1.00 0.00 C ATOM 895 CG GLU A 62 -4.088 -17.763 10.344 1.00 0.00 C ATOM 896 CD GLU A 62 -3.626 -16.503 11.079 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.672 -16.628 11.876 1.00 0.00 O ATOM 898 OE2 GLU A 62 -4.239 -15.443 10.827 1.00 0.00 O ATOM 0 H GLU A 62 -1.527 -19.496 7.903 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.148 -17.250 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.225 -19.461 9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.134 -18.671 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.814 -17.495 9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.593 -18.431 11.042 1.00 0.00 H new ATOM 905 N GLU A 63 -0.398 -16.873 9.777 1.00 0.00 N ATOM 906 CA GLU A 63 0.500 -15.879 10.340 1.00 0.00 C ATOM 907 C GLU A 63 1.116 -15.029 9.228 1.00 0.00 C ATOM 908 O GLU A 63 1.200 -13.808 9.349 1.00 0.00 O ATOM 909 CB GLU A 63 1.586 -16.541 11.190 1.00 0.00 C ATOM 910 CG GLU A 63 2.866 -16.750 10.378 1.00 0.00 C ATOM 911 CD GLU A 63 3.939 -17.449 11.215 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.574 -16.743 12.028 1.00 0.00 O ATOM 913 OE2 GLU A 63 4.100 -18.674 11.023 1.00 0.00 O ATOM 0 H GLU A 63 -0.134 -17.841 9.963 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.078 -15.224 10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.800 -15.921 12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.227 -17.500 11.563 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.646 -17.346 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.241 -15.788 10.030 1.00 0.00 H new ATOM 920 N TYR A 64 1.531 -15.708 8.168 1.00 0.00 N ATOM 921 CA TYR A 64 2.137 -15.030 7.035 1.00 0.00 C ATOM 922 C TYR A 64 1.210 -13.944 6.486 1.00 0.00 C ATOM 923 O TYR A 64 1.663 -12.858 6.128 1.00 0.00 O ATOM 924 CB TYR A 64 2.339 -16.101 5.962 1.00 0.00 C ATOM 925 CG TYR A 64 3.749 -16.696 5.934 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.849 -15.868 6.028 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.920 -18.060 5.815 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.176 -16.427 6.002 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.247 -18.619 5.789 1.00 0.00 C ATOM 930 CZ TYR A 64 6.309 -17.775 5.884 1.00 0.00 C ATOM 931 OH TYR A 64 7.562 -18.304 5.859 1.00 0.00 O ATOM 0 H TYR A 64 1.459 -16.721 8.070 1.00 0.00 H new ATOM 0 HA TYR A 64 3.071 -14.551 7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.620 -16.904 6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.119 -15.669 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.715 -14.800 6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.059 -18.708 5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.045 -15.790 6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.395 -19.685 5.696 1.00 0.00 H new ATOM 0 HH TYR A 64 7.504 -19.278 5.772 1.00 0.00 H new ATOM 941 N LEU A 65 -0.072 -14.274 6.437 1.00 0.00 N ATOM 942 CA LEU A 65 -1.067 -13.341 5.938 1.00 0.00 C ATOM 943 C LEU A 65 -1.130 -12.125 6.864 1.00 0.00 C ATOM 944 O LEU A 65 -1.103 -10.985 6.402 1.00 0.00 O ATOM 945 CB LEU A 65 -2.414 -14.042 5.751 1.00 0.00 C ATOM 946 CG LEU A 65 -2.520 -14.984 4.550 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.755 -15.879 4.662 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.496 -14.201 3.236 1.00 0.00 C ATOM 0 H LEU A 65 -0.445 -15.175 6.735 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.784 -12.976 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.633 -14.611 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.188 -13.280 5.659 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.648 -15.638 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.806 -16.539 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.689 -16.478 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.651 -15.260 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.573 -14.894 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.336 -13.507 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.562 -13.644 3.162 1.00 0.00 H new ATOM 960 N THR A 66 -1.213 -12.409 8.156 1.00 0.00 N ATOM 961 CA THR A 66 -1.280 -11.353 9.152 1.00 0.00 C ATOM 962 C THR A 66 -0.033 -10.470 9.077 1.00 0.00 C ATOM 963 O THR A 66 -0.134 -9.244 9.096 1.00 0.00 O ATOM 964 CB THR A 66 -1.481 -12.006 10.520 1.00 0.00 C ATOM 965 OG1 THR A 66 -2.855 -12.384 10.527 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.365 -11.003 11.670 1.00 0.00 C ATOM 0 H THR A 66 -1.235 -13.355 8.536 1.00 0.00 H new ATOM 0 HA THR A 66 -2.123 -10.687 8.967 1.00 0.00 H new ATOM 0 HB THR A 66 -0.746 -12.800 10.654 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.071 -12.817 11.379 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.516 -11.518 12.619 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.375 -10.548 11.658 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.122 -10.227 11.554 1.00 0.00 H new ATOM 974 N LYS A 67 1.114 -11.127 8.993 1.00 0.00 N ATOM 975 CA LYS A 67 2.380 -10.417 8.916 1.00 0.00 C ATOM 976 C LYS A 67 2.219 -9.196 8.008 1.00 0.00 C ATOM 977 O LYS A 67 2.741 -8.123 8.307 1.00 0.00 O ATOM 978 CB LYS A 67 3.500 -11.364 8.480 1.00 0.00 C ATOM 979 CG LYS A 67 4.170 -12.015 9.692 1.00 0.00 C ATOM 980 CD LYS A 67 4.878 -13.312 9.296 1.00 0.00 C ATOM 981 CE LYS A 67 5.813 -13.788 10.409 1.00 0.00 C ATOM 982 NZ LYS A 67 5.049 -14.054 11.649 1.00 0.00 N ATOM 0 H LYS A 67 1.194 -12.144 8.977 1.00 0.00 H new ATOM 0 HA LYS A 67 2.671 -10.048 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.094 -12.136 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.242 -10.814 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.889 -11.323 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.422 -12.224 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.138 -14.084 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.448 -13.155 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.332 -14.693 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.575 -13.033 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.367 -13.407 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.035 -13.906 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.207 -15.037 11.950 1.00 0.00 H new ATOM 996 N GLU A 68 1.495 -9.400 6.917 1.00 0.00 N ATOM 997 CA GLU A 68 1.260 -8.329 5.964 1.00 0.00 C ATOM 998 C GLU A 68 0.282 -7.306 6.546 1.00 0.00 C ATOM 999 O GLU A 68 0.504 -6.100 6.441 1.00 0.00 O ATOM 1000 CB GLU A 68 0.746 -8.882 4.633 1.00 0.00 C ATOM 1001 CG GLU A 68 1.658 -9.996 4.114 1.00 0.00 C ATOM 1002 CD GLU A 68 2.980 -9.425 3.597 1.00 0.00 C ATOM 1003 OE1 GLU A 68 2.936 -8.758 2.541 1.00 0.00 O ATOM 1004 OE2 GLU A 68 4.005 -9.670 4.270 1.00 0.00 O ATOM 0 H GLU A 68 1.064 -10.291 6.672 1.00 0.00 H new ATOM 0 HA GLU A 68 2.208 -7.828 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.266 -9.266 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.692 -8.079 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.854 -10.712 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.155 -10.540 3.314 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.779 -7.824 7.147 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.791 -6.971 7.746 1.00 0.00 C ATOM 1013 C LEU A 69 -1.107 -5.863 8.550 1.00 0.00 C ATOM 1014 O LEU A 69 -1.366 -4.681 8.329 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.778 -7.804 8.565 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.797 -8.616 7.763 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.663 -9.476 8.686 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.642 -7.706 6.869 1.00 0.00 C ATOM 0 H LEU A 69 -0.960 -8.824 7.232 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.385 -6.485 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.210 -8.490 9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.321 -7.135 9.233 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.252 -9.295 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.378 -10.043 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.028 -10.165 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.200 -8.834 9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.358 -8.308 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.178 -6.985 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.993 -7.175 6.173 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.247 -6.284 9.466 1.00 0.00 N ATOM 1031 CA LEU A 70 0.476 -5.343 10.304 1.00 0.00 C ATOM 1032 C LEU A 70 1.207 -4.334 9.416 1.00 0.00 C ATOM 1033 O LEU A 70 1.231 -3.141 9.715 1.00 0.00 O ATOM 1034 CB LEU A 70 1.394 -6.086 11.276 1.00 0.00 C ATOM 1035 CG LEU A 70 0.700 -6.993 12.294 1.00 0.00 C ATOM 1036 CD1 LEU A 70 1.534 -8.245 12.571 1.00 0.00 C ATOM 1037 CD2 LEU A 70 0.372 -6.227 13.577 1.00 0.00 C ATOM 0 H LEU A 70 -0.035 -7.265 9.646 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.217 -4.777 10.927 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.091 -6.691 10.696 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.987 -5.350 11.819 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.246 -7.325 11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.018 -8.872 13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.673 -8.802 11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.506 -7.954 12.968 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.121 -6.895 14.284 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.293 -5.846 14.019 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.290 -5.393 13.344 1.00 0.00 H new ATOM 1049 N ALA A 71 1.786 -4.850 8.341 1.00 0.00 N ATOM 1050 CA ALA A 71 2.516 -4.009 7.408 1.00 0.00 C ATOM 1051 C ALA A 71 1.530 -3.111 6.658 1.00 0.00 C ATOM 1052 O ALA A 71 1.919 -2.087 6.098 1.00 0.00 O ATOM 1053 CB ALA A 71 3.337 -4.889 6.463 1.00 0.00 C ATOM 0 H ALA A 71 1.764 -5.840 8.096 1.00 0.00 H new ATOM 0 HA ALA A 71 3.213 -3.361 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.885 -4.259 5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.042 -5.486 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.670 -5.550 5.910 1.00 0.00 H new ATOM 1059 N LEU A 72 0.272 -3.526 6.673 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.773 -2.772 6.001 1.00 0.00 C ATOM 1061 C LEU A 72 -1.523 -1.922 7.029 1.00 0.00 C ATOM 1062 O LEU A 72 -2.513 -1.272 6.698 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.679 -3.708 5.199 1.00 0.00 C ATOM 1064 CG LEU A 72 -0.981 -4.593 4.165 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -1.884 -5.751 3.735 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -0.501 -3.766 2.970 1.00 0.00 C ATOM 0 H LEU A 72 -0.047 -4.375 7.140 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.340 -2.086 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.213 -4.352 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.428 -3.105 4.686 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.097 -5.030 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.364 -6.365 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.134 -6.360 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.799 -5.355 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.008 -4.419 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.355 -3.282 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.203 -3.007 3.312 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.022 -1.955 8.255 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.632 -1.196 9.333 1.00 0.00 C ATOM 1080 C ASP A 73 -0.593 -0.247 9.935 1.00 0.00 C ATOM 1081 O ASP A 73 -0.912 0.889 10.283 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.128 -2.121 10.446 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.289 -1.569 11.276 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -3.570 -0.360 11.127 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.871 -2.369 12.041 1.00 0.00 O ATOM 0 H ASP A 73 -0.200 -2.496 8.526 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.476 -0.643 8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.437 -3.067 10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.295 -2.340 11.114 1.00 0.00 H new ATOM 1090 N SER A 74 0.629 -0.749 10.040 1.00 0.00 N ATOM 1091 CA SER A 74 1.716 0.040 10.593 1.00 0.00 C ATOM 1092 C SER A 74 1.839 1.365 9.838 1.00 0.00 C ATOM 1093 O SER A 74 2.521 2.282 10.293 1.00 0.00 O ATOM 1094 CB SER A 74 3.038 -0.728 10.536 1.00 0.00 C ATOM 1095 OG SER A 74 3.725 -0.702 11.784 1.00 0.00 O ATOM 0 H SER A 74 0.890 -1.692 9.752 1.00 0.00 H new ATOM 0 HA SER A 74 1.491 0.246 11.639 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.845 -1.762 10.250 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.674 -0.297 9.763 1.00 0.00 H new ATOM 0 HG SER A 74 4.563 -1.204 11.707 1.00 0.00 H new ATOM 1101 N VAL A 75 1.169 1.423 8.696 1.00 0.00 N ATOM 1102 CA VAL A 75 1.195 2.620 7.874 1.00 0.00 C ATOM 1103 C VAL A 75 0.168 3.622 8.406 1.00 0.00 C ATOM 1104 O VAL A 75 -0.997 3.278 8.600 1.00 0.00 O ATOM 1105 CB VAL A 75 0.966 2.252 6.406 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.742 3.504 5.556 1.00 0.00 C ATOM 1107 CG2 VAL A 75 2.129 1.420 5.862 1.00 0.00 C ATOM 0 H VAL A 75 0.605 0.660 8.321 1.00 0.00 H new ATOM 0 HA VAL A 75 2.173 3.098 7.927 1.00 0.00 H new ATOM 0 HB VAL A 75 0.064 1.643 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.582 3.215 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.133 4.041 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.618 4.150 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.941 1.172 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.053 1.993 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.222 0.502 6.442 1.00 0.00 H new ATOM 1117 N ASP A 76 0.637 4.841 8.627 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.226 5.895 9.133 1.00 0.00 C ATOM 1119 C ASP A 76 -0.246 7.055 8.136 1.00 0.00 C ATOM 1120 O ASP A 76 0.742 7.775 7.996 1.00 0.00 O ATOM 1121 CB ASP A 76 0.285 6.430 10.471 1.00 0.00 C ATOM 1122 CG ASP A 76 0.529 5.366 11.543 1.00 0.00 C ATOM 1123 OD1 ASP A 76 -0.268 4.404 11.580 1.00 0.00 O ATOM 1124 OD2 ASP A 76 1.508 5.538 12.302 1.00 0.00 O ATOM 0 H ASP A 76 1.604 5.123 8.465 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.224 5.478 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.216 6.969 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.435 7.152 10.855 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.410 7.204 7.450 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.571 8.264 6.469 1.00 0.00 C ATOM 1131 C PRO A 77 -1.761 9.619 7.154 1.00 0.00 C ATOM 1132 O PRO A 77 -0.981 10.544 6.935 1.00 0.00 O ATOM 1133 CB PRO A 77 -2.771 7.848 5.633 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.517 6.814 6.460 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.601 6.370 7.588 1.00 0.00 C ATOM 0 HA PRO A 77 -0.690 8.393 5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.408 8.704 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.455 7.430 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.438 7.238 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.801 5.963 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.073 6.512 8.560 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.355 5.311 7.505 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.803 9.694 7.969 1.00 0.00 N ATOM 1144 CA GLU A 78 -3.105 10.920 8.687 1.00 0.00 C ATOM 1145 C GLU A 78 -2.732 12.138 7.839 1.00 0.00 C ATOM 1146 O GLU A 78 -1.608 12.631 7.915 1.00 0.00 O ATOM 1147 CB GLU A 78 -2.391 10.954 10.039 1.00 0.00 C ATOM 1148 CG GLU A 78 -1.086 10.157 9.990 1.00 0.00 C ATOM 1149 CD GLU A 78 -0.213 10.457 11.211 1.00 0.00 C ATOM 1150 OE1 GLU A 78 0.405 11.544 11.212 1.00 0.00 O ATOM 1151 OE2 GLU A 78 -0.184 9.594 12.114 1.00 0.00 O ATOM 0 H GLU A 78 -3.449 8.925 8.148 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.178 10.950 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.180 11.987 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.044 10.543 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.308 9.091 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.540 10.402 9.079 1.00 0.00 H new ATOM 1158 N GLY A 79 -3.697 12.587 7.049 1.00 0.00 N ATOM 1159 CA GLY A 79 -3.483 13.737 6.187 1.00 0.00 C ATOM 1160 C GLY A 79 -4.018 13.473 4.778 1.00 0.00 C ATOM 1161 O GLY A 79 -4.913 14.174 4.309 1.00 0.00 O ATOM 0 H GLY A 79 -4.628 12.175 6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.979 14.611 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.419 13.967 6.139 1.00 0.00 H new ATOM 1165 N ARG A 80 -3.447 12.460 4.143 1.00 0.00 N ATOM 1166 CA ARG A 80 -3.855 12.095 2.797 1.00 0.00 C ATOM 1167 C ARG A 80 -4.926 11.003 2.845 1.00 0.00 C ATOM 1168 O ARG A 80 -4.831 10.071 3.642 1.00 0.00 O ATOM 1169 CB ARG A 80 -2.664 11.597 1.977 1.00 0.00 C ATOM 1170 CG ARG A 80 -1.762 12.759 1.557 1.00 0.00 C ATOM 1171 CD ARG A 80 -0.548 12.873 2.481 1.00 0.00 C ATOM 1172 NE ARG A 80 0.667 13.163 1.687 1.00 0.00 N ATOM 1173 CZ ARG A 80 1.917 12.963 2.126 1.00 0.00 C ATOM 1174 NH1 ARG A 80 2.124 12.470 3.355 1.00 0.00 N ATOM 1175 NH2 ARG A 80 2.959 13.255 1.337 1.00 0.00 N ATOM 0 H ARG A 80 -2.705 11.881 4.536 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.262 12.987 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.089 10.880 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.022 11.072 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.429 12.612 0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.329 13.690 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.711 13.664 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.416 11.945 3.038 1.00 0.00 H new ATOM 0 HE ARG A 80 0.545 13.539 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.330 12.247 3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.075 12.318 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.801 13.630 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.910 13.103 1.672 1.00 0.00 H new ATOM 1189 N ALA A 81 -5.920 11.155 1.982 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.007 10.193 1.916 1.00 0.00 C ATOM 1191 C ALA A 81 -6.605 9.039 0.996 1.00 0.00 C ATOM 1192 O ALA A 81 -6.689 7.874 1.384 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.282 10.896 1.447 1.00 0.00 C ATOM 0 H ALA A 81 -5.995 11.930 1.323 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.210 9.774 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.098 10.175 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.540 11.688 2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.118 11.327 0.459 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.178 9.402 -0.204 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.763 8.410 -1.182 1.00 0.00 C ATOM 1201 C ASP A 82 -4.975 7.304 -0.478 1.00 0.00 C ATOM 1202 O ASP A 82 -5.111 6.129 -0.815 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.857 9.032 -2.247 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.172 10.336 -1.832 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -3.284 10.256 -0.956 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -4.554 11.383 -2.399 1.00 0.00 O ATOM 0 H ASP A 82 -6.110 10.369 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.659 8.011 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.090 8.307 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.450 9.219 -3.142 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.168 7.719 0.487 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.357 6.778 1.242 1.00 0.00 C ATOM 1213 C VAL A 83 -4.271 5.886 2.083 1.00 0.00 C ATOM 1214 O VAL A 83 -4.243 4.663 1.952 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.323 7.533 2.079 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.378 6.561 2.789 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.541 8.527 1.219 1.00 0.00 C ATOM 0 H VAL A 83 -4.058 8.695 0.764 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.798 6.128 0.569 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.858 8.099 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.653 7.123 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.953 5.910 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.854 5.956 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.813 9.050 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.023 7.991 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.230 9.249 0.780 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.061 6.531 2.929 1.00 0.00 N ATOM 1228 CA ARG A 84 -5.981 5.811 3.792 1.00 0.00 C ATOM 1229 C ARG A 84 -6.720 4.732 2.997 1.00 0.00 C ATOM 1230 O ARG A 84 -6.780 3.578 3.418 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.003 6.760 4.422 1.00 0.00 C ATOM 1232 CG ARG A 84 -6.309 7.949 5.088 1.00 0.00 C ATOM 1233 CD ARG A 84 -6.864 8.190 6.494 1.00 0.00 C ATOM 1234 NE ARG A 84 -6.660 9.604 6.883 1.00 0.00 N ATOM 1235 CZ ARG A 84 -7.260 10.189 7.927 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -8.106 9.487 8.694 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -7.016 11.477 8.205 1.00 0.00 N ATOM 0 H ARG A 84 -5.083 7.545 3.035 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.396 5.346 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.692 7.118 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.598 6.222 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.236 7.764 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.448 8.843 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.926 7.946 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.367 7.533 7.208 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.023 10.168 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.293 8.507 8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.563 9.933 9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.373 12.012 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.473 11.923 9.000 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.264 5.146 1.862 1.00 0.00 N ATOM 1252 CA GLN A 85 -7.996 4.229 1.005 1.00 0.00 C ATOM 1253 C GLN A 85 -7.236 2.908 0.870 1.00 0.00 C ATOM 1254 O GLN A 85 -7.729 1.860 1.285 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.258 4.853 -0.367 1.00 0.00 C ATOM 1256 CG GLN A 85 -9.441 4.174 -1.061 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.444 5.209 -1.573 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -10.400 5.644 -2.712 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -11.349 5.578 -0.671 1.00 0.00 N ATOM 0 H GLN A 85 -7.212 6.104 1.516 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.962 4.024 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.461 5.918 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.367 4.763 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.081 3.569 -1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.936 3.496 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.329 5.175 0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.063 6.264 -0.916 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.049 3.001 0.288 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.217 1.826 0.094 1.00 0.00 C ATOM 1270 C ALA A 86 -5.268 0.956 1.352 1.00 0.00 C ATOM 1271 O ALA A 86 -5.538 -0.242 1.272 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.793 2.261 -0.257 1.00 0.00 C ATOM 0 H ALA A 86 -5.644 3.872 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.589 1.226 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.169 1.379 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.808 2.850 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.386 2.864 0.555 1.00 0.00 H new ATOM 1278 N ARG A 87 -5.005 1.592 2.483 1.00 0.00 N ATOM 1279 CA ARG A 87 -5.017 0.891 3.756 1.00 0.00 C ATOM 1280 C ARG A 87 -6.182 -0.099 3.805 1.00 0.00 C ATOM 1281 O ARG A 87 -5.973 -1.311 3.779 1.00 0.00 O ATOM 1282 CB ARG A 87 -5.142 1.872 4.924 1.00 0.00 C ATOM 1283 CG ARG A 87 -4.582 1.265 6.212 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.260 1.929 6.602 1.00 0.00 C ATOM 1285 NE ARG A 87 -2.123 1.118 6.115 1.00 0.00 N ATOM 1286 CZ ARG A 87 -1.518 1.305 4.934 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -1.937 2.278 4.113 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -0.493 0.521 4.574 1.00 0.00 N ATOM 0 H ARG A 87 -4.782 2.585 2.545 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.073 0.353 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.608 2.793 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.189 2.139 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.305 1.385 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.429 0.194 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.209 2.932 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.203 2.036 7.685 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.778 0.369 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.716 2.876 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.476 2.420 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.173 -0.219 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.033 0.664 3.675 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.385 0.453 3.876 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.583 -0.367 3.929 1.00 0.00 C ATOM 1304 C ARG A 88 -8.597 -1.362 2.768 1.00 0.00 C ATOM 1305 O ARG A 88 -9.286 -2.379 2.825 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.845 0.497 3.866 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.681 0.157 2.631 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.897 1.079 2.522 1.00 0.00 C ATOM 1309 NE ARG A 88 -13.079 0.306 2.080 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.321 -0.035 0.806 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -12.463 0.327 -0.158 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.419 -0.737 0.497 1.00 0.00 N ATOM 0 H ARG A 88 -7.555 1.458 3.898 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.573 -0.908 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.440 0.344 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.568 1.551 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.067 0.251 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.010 -0.881 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.097 1.546 3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.692 1.883 1.815 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.752 0.014 2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.627 0.861 0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.646 0.068 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.072 -1.012 1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.603 -0.996 -0.472 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.827 -1.035 1.740 1.00 0.00 N ATOM 1327 CA ASP A 89 -7.742 -1.888 0.567 1.00 0.00 C ATOM 1328 C ASP A 89 -6.801 -3.058 0.859 1.00 0.00 C ATOM 1329 O ASP A 89 -7.247 -4.191 1.028 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.184 -1.120 -0.633 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.056 -1.161 -1.890 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -9.274 -0.921 -1.743 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -7.485 -1.432 -2.968 1.00 0.00 O ATOM 0 H ASP A 89 -7.256 -0.191 1.695 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.746 -2.241 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.039 -0.079 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.201 -1.523 -0.878 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.515 -2.742 0.910 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.506 -3.753 1.179 1.00 0.00 C ATOM 1340 C GLY A 90 -5.009 -4.769 2.207 1.00 0.00 C ATOM 1341 O GLY A 90 -5.141 -5.953 1.901 1.00 0.00 O ATOM 0 H GLY A 90 -5.149 -1.800 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.244 -4.266 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.598 -3.276 1.548 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.275 -4.269 3.404 1.00 0.00 N ATOM 1346 CA VAL A 91 -5.760 -5.119 4.479 1.00 0.00 C ATOM 1347 C VAL A 91 -6.898 -5.997 3.955 1.00 0.00 C ATOM 1348 O VAL A 91 -6.850 -7.220 4.077 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.170 -4.262 5.679 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -5.017 -3.363 6.130 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.418 -3.435 5.361 1.00 0.00 C ATOM 0 H VAL A 91 -5.164 -3.286 3.654 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.970 -5.784 4.826 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.413 -4.933 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.335 -2.765 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.165 -3.980 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.729 -2.703 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.688 -2.835 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.213 -2.778 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.243 -4.102 5.110 1.00 0.00 H new ATOM 1361 N ARG A 92 -7.895 -5.339 3.381 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.043 -6.044 2.838 1.00 0.00 C ATOM 1363 C ARG A 92 -8.583 -7.229 1.986 1.00 0.00 C ATOM 1364 O ARG A 92 -8.985 -8.366 2.229 1.00 0.00 O ATOM 1365 CB ARG A 92 -9.907 -5.115 1.984 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.160 -4.678 2.745 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.368 -4.594 1.810 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.620 -4.754 2.584 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.082 -5.929 3.031 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.399 -7.055 2.783 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.227 -5.979 3.725 1.00 0.00 N ATOM 0 H ARG A 92 -7.931 -4.325 3.280 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.638 -6.404 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.328 -4.238 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.195 -5.624 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.366 -5.384 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.987 -3.707 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.371 -3.635 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.302 -5.369 1.046 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.165 -3.917 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.528 -7.017 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.750 -7.950 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.747 -5.122 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.578 -6.874 4.065 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.748 -6.921 1.004 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.230 -7.946 0.114 1.00 0.00 C ATOM 1387 C LYS A 93 -6.814 -9.167 0.937 1.00 0.00 C ATOM 1388 O LYS A 93 -7.323 -10.266 0.724 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.107 -7.381 -0.758 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.150 -8.488 -1.205 1.00 0.00 C ATOM 1391 CD LYS A 93 -5.800 -9.379 -2.265 1.00 0.00 C ATOM 1392 CE LYS A 93 -4.744 -9.998 -3.183 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.337 -11.083 -3.997 1.00 0.00 N ATOM 0 H LYS A 93 -7.418 -5.977 0.805 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.004 -8.276 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.533 -6.889 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.557 -6.622 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.238 -8.045 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.860 -9.092 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.373 -10.169 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.503 -8.793 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.327 -9.231 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.921 -10.391 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.578 -11.665 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.943 -11.676 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.907 -10.671 -4.763 1.00 0.00 H new ATOM 1407 N VAL A 94 -5.892 -8.933 1.860 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.402 -10.001 2.715 1.00 0.00 C ATOM 1409 C VAL A 94 -6.584 -10.658 3.431 1.00 0.00 C ATOM 1410 O VAL A 94 -6.786 -11.866 3.321 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.347 -9.455 3.680 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.872 -10.543 4.645 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.169 -8.845 2.918 1.00 0.00 C ATOM 0 H VAL A 94 -5.472 -8.020 2.034 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.912 -10.773 2.121 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.810 -8.663 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.123 -10.129 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.719 -10.910 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.435 -11.366 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.434 -8.465 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.707 -9.608 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.525 -8.027 2.291 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.334 -9.834 4.147 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.490 -10.320 4.880 1.00 0.00 C ATOM 1425 C GLN A 95 -9.209 -11.406 4.078 1.00 0.00 C ATOM 1426 O GLN A 95 -9.325 -12.544 4.531 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.442 -9.173 5.226 1.00 0.00 C ATOM 1428 CG GLN A 95 -8.855 -8.287 6.327 1.00 0.00 C ATOM 1429 CD GLN A 95 -9.896 -7.290 6.841 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.046 -7.621 7.077 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.430 -6.055 7.002 1.00 0.00 N ATOM 0 H GLN A 95 -7.164 -8.832 4.235 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.144 -10.757 5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.634 -8.574 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.401 -9.577 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.504 -8.909 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.989 -7.748 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.456 -5.845 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.047 -5.317 7.342 1.00 0.00 H new ATOM 1440 N THR A 96 -9.674 -11.017 2.900 1.00 0.00 N ATOM 1441 CA THR A 96 -10.379 -11.943 2.030 1.00 0.00 C ATOM 1442 C THR A 96 -9.596 -13.251 1.898 1.00 0.00 C ATOM 1443 O THR A 96 -10.163 -14.334 2.032 1.00 0.00 O ATOM 1444 CB THR A 96 -10.622 -11.243 0.691 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.617 -10.266 0.986 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.291 -12.158 -0.335 1.00 0.00 C ATOM 0 H THR A 96 -9.576 -10.073 2.527 1.00 0.00 H new ATOM 0 HA THR A 96 -11.347 -12.220 2.449 1.00 0.00 H new ATOM 0 HB THR A 96 -9.674 -10.883 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.834 -9.764 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.440 -11.612 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.655 -13.024 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.255 -12.491 0.049 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.305 -13.107 1.636 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.439 -14.263 1.484 1.00 0.00 C ATOM 1456 C ILE A 97 -7.418 -15.055 2.793 1.00 0.00 C ATOM 1457 O ILE A 97 -7.345 -16.283 2.779 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.051 -13.834 1.003 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.147 -13.019 -0.289 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.126 -15.043 0.850 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.853 -12.244 -0.545 1.00 0.00 C ATOM 0 H ILE A 97 -7.838 -12.207 1.525 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.826 -14.930 0.713 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.611 -13.186 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.349 -13.684 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.984 -12.324 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.146 -14.710 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.023 -15.546 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.549 -15.735 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.947 -11.673 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.667 -11.563 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.022 -12.943 -0.634 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.483 -14.319 3.893 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.472 -14.937 5.208 1.00 0.00 C ATOM 1475 C LEU A 98 -8.759 -15.742 5.399 1.00 0.00 C ATOM 1476 O LEU A 98 -8.761 -16.762 6.088 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.240 -13.884 6.293 1.00 0.00 C ATOM 1478 CG LEU A 98 -5.793 -13.713 6.763 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.617 -12.399 7.527 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.337 -14.920 7.585 1.00 0.00 C ATOM 0 H LEU A 98 -7.543 -13.301 3.901 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.641 -15.637 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.596 -12.923 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.854 -14.139 7.157 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.151 -13.662 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.580 -12.302 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.874 -11.563 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.271 -12.395 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.306 -14.773 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.978 -15.027 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.402 -15.821 6.975 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.822 -15.255 4.777 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.112 -15.917 4.869 1.00 0.00 C ATOM 1494 C GLU A 99 -11.229 -17.004 3.799 1.00 0.00 C ATOM 1495 O GLU A 99 -11.978 -17.965 3.966 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.256 -14.907 4.752 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.084 -14.865 6.038 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.313 -13.970 5.870 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -15.084 -14.236 4.922 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -14.455 -13.040 6.693 1.00 0.00 O ATOM 0 H GLU A 99 -9.817 -14.409 4.207 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.187 -16.390 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.852 -13.917 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.897 -15.173 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.398 -15.874 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.469 -14.495 6.858 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.477 -16.815 2.725 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.487 -17.768 1.628 1.00 0.00 C ATOM 1509 C LYS A 100 -9.703 -19.017 2.036 1.00 0.00 C ATOM 1510 O LYS A 100 -10.083 -20.134 1.687 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.975 -17.112 0.344 1.00 0.00 C ATOM 1512 CG LYS A 100 -8.526 -17.515 0.063 1.00 0.00 C ATOM 1513 CD LYS A 100 -7.982 -16.784 -1.166 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.653 -17.289 -2.445 1.00 0.00 C ATOM 1515 NZ LYS A 100 -8.406 -16.351 -3.564 1.00 0.00 N ATOM 0 H LYS A 100 -9.857 -16.016 2.591 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.506 -18.088 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.607 -17.404 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.044 -16.028 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.907 -17.286 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.468 -18.592 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.151 -15.712 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.904 -16.931 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.269 -18.277 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.725 -17.396 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.241 -16.321 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.221 -15.400 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.582 -16.672 -4.111 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.624 -18.786 2.768 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.783 -19.878 3.227 1.00 0.00 C ATOM 1531 C LEU A 101 -8.618 -20.836 4.079 1.00 0.00 C ATOM 1532 O LEU A 101 -8.710 -22.024 3.775 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.545 -19.337 3.945 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.669 -20.376 4.648 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -5.102 -21.383 3.646 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.568 -19.700 5.467 1.00 0.00 C ATOM 0 H LEU A 101 -8.312 -17.858 3.055 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.406 -20.450 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.931 -18.806 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.869 -18.605 4.684 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.293 -20.934 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.483 -22.110 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.921 -21.898 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.497 -20.859 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.960 -20.461 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.939 -19.102 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.019 -19.056 6.221 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.205 -20.283 5.131 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.030 -21.073 6.029 1.00 0.00 C ATOM 1550 C GLU A 102 -10.969 -21.978 5.229 1.00 0.00 C ATOM 1551 O GLU A 102 -11.009 -23.187 5.451 1.00 0.00 O ATOM 1552 CB GLU A 102 -10.817 -20.174 6.984 1.00 0.00 C ATOM 1553 CG GLU A 102 -12.127 -20.839 7.410 1.00 0.00 C ATOM 1554 CD GLU A 102 -12.517 -20.426 8.830 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -11.584 -20.207 9.633 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -13.738 -20.337 9.081 1.00 0.00 O ATOM 0 H GLU A 102 -9.125 -19.297 5.381 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.376 -21.703 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.213 -19.956 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.030 -19.221 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.921 -20.563 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.022 -21.923 7.359 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.701 -21.358 4.315 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.637 -22.093 3.482 1.00 0.00 C ATOM 1565 C GLN A 103 -11.908 -23.193 2.707 1.00 0.00 C ATOM 1566 O GLN A 103 -12.331 -24.348 2.715 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.380 -21.152 2.530 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.430 -20.331 3.281 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.839 -20.858 3.003 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -16.098 -21.519 2.010 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.733 -20.531 3.932 1.00 0.00 N ATOM 0 H GLN A 103 -11.665 -20.355 4.133 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.378 -22.562 4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.669 -20.483 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.861 -21.731 1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.229 -20.368 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.363 -19.285 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.450 -19.975 4.739 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.702 -20.836 3.837 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.824 -22.795 2.056 1.00 0.00 N ATOM 1581 CA LYS A 104 -10.032 -23.732 1.278 1.00 0.00 C ATOM 1582 C LYS A 104 -9.904 -25.047 2.049 1.00 0.00 C ATOM 1583 O LYS A 104 -10.389 -26.084 1.599 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.688 -23.109 0.896 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.887 -21.848 0.053 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.379 -22.058 -1.375 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.237 -23.084 -2.117 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.146 -22.875 -3.580 1.00 0.00 N ATOM 0 H LYS A 104 -10.476 -21.836 2.052 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.529 -23.962 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.128 -22.863 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.093 -23.833 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.944 -21.584 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.359 -21.012 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.393 -21.110 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.343 -22.395 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.907 -24.092 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.275 -22.999 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.734 -23.580 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.483 -21.920 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.157 -22.979 -3.885 1.00 0.00 H new ATOM 1602 N ALA A 105 -9.248 -24.962 3.197 1.00 0.00 N ATOM 1603 CA ALA A 105 -9.050 -26.133 4.035 1.00 0.00 C ATOM 1604 C ALA A 105 -10.312 -26.997 4.003 1.00 0.00 C ATOM 1605 O ALA A 105 -10.273 -28.143 3.557 1.00 0.00 O ATOM 1606 CB ALA A 105 -8.682 -25.690 5.452 1.00 0.00 C ATOM 0 H ALA A 105 -8.847 -24.100 3.567 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.226 -26.740 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -8.533 -26.568 6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.763 -25.105 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -9.487 -25.081 5.863 1.00 0.00 H new ATOM 1612 N SER A 106 -11.401 -26.414 4.481 1.00 0.00 N ATOM 1613 CA SER A 106 -12.673 -27.117 4.513 1.00 0.00 C ATOM 1614 C SER A 106 -12.763 -27.979 5.774 1.00 0.00 C ATOM 1615 O SER A 106 -12.236 -27.609 6.822 1.00 0.00 O ATOM 1616 CB SER A 106 -12.856 -27.982 3.265 1.00 0.00 C ATOM 1617 OG SER A 106 -14.204 -27.976 2.804 1.00 0.00 O ATOM 0 H SER A 106 -11.429 -25.463 4.849 1.00 0.00 H new ATOM 0 HA SER A 106 -13.473 -26.376 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.201 -27.619 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.553 -29.005 3.486 1.00 0.00 H new ATOM 0 HG SER A 106 -14.279 -28.538 2.005 1.00 0.00 H new