USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 559 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 22 THR OG1 : rot -27:sc= 0.105 USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= -2.46! C(o=-4.2!,f=-2.4!) USER MOD Set 1.3: A 69 ASN :FLIP amide:sc= -0.0178 F(o=-3.3,f=-2.4) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.486 F(o=-1,f=-0.49) USER MOD Single : A 32 ASN : amide:sc= 0.155 K(o=0.15,f=-4.6!) USER MOD Single : A 33 MET CE :methyl 162:sc= -3.22 (180deg=-4.56) USER MOD Single : A 34 THR OG1 : rot -170:sc= -1.28! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.84! C(o=-5.8!,f=-4.8!) USER MOD Single : A 40 SER OG : rot -89:sc= 0.307 USER MOD Single : A 43 SER OG : rot -37:sc= 0.0578 USER MOD Single : A 44 SER OG : rot -68:sc= 1.22 USER MOD Single : A 50 SER OG : rot 43:sc= 0.015 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 23:sc= -0.529 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 70 TYR OH : rot 15:sc= -1.95! USER MOD Single : A 72 THR OG1 : rot -170:sc= 0.69 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.98) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -3.54! C(o=-3.5!,f=-11!) USER MOD Single : A 89 GLN :FLIP amide:sc= -2.16! C(o=-3.9!,f=-2.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc=-0.00843 (180deg=-0.17) USER MOD Single : A 96 SER OG : rot -8:sc= 0.967 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.115 -2.594 5.595 1.00 0.00 N ATOM 302 CA THR A 22 7.131 -3.635 5.364 1.00 0.00 C ATOM 303 C THR A 22 5.748 -3.021 5.174 1.00 0.00 C ATOM 304 O THR A 22 4.841 -3.655 4.641 1.00 0.00 O ATOM 305 CB THR A 22 7.104 -4.629 6.539 1.00 0.00 C ATOM 306 OG1 THR A 22 6.869 -3.931 7.768 1.00 0.00 O ATOM 307 CG2 THR A 22 8.420 -5.378 6.636 1.00 0.00 C ATOM 0 HA THR A 22 7.410 -4.173 4.458 1.00 0.00 H new ATOM 0 HB THR A 22 6.299 -5.343 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.197 -3.011 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.381 -6.076 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.594 -5.929 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.232 -4.668 6.793 1.00 0.00 H new ATOM 315 N ASN A 23 5.603 -1.777 5.610 1.00 0.00 N ATOM 316 CA ASN A 23 4.349 -1.052 5.454 1.00 0.00 C ATOM 317 C ASN A 23 4.217 -0.594 4.014 1.00 0.00 C ATOM 318 O ASN A 23 5.135 0.014 3.468 1.00 0.00 O ATOM 319 CB ASN A 23 4.319 0.169 6.369 1.00 0.00 C ATOM 320 CG ASN A 23 2.907 0.646 6.679 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.956 -0.279 6.735 1.00 0.00 O flip ATOM 322 ND2 ASN A 23 2.675 1.836 6.888 1.00 0.00 N flip ATOM 0 H ASN A 23 6.340 -1.248 6.076 1.00 0.00 H new ATOM 0 HA ASN A 23 3.524 -1.713 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.829 -0.071 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.876 0.981 5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.430 2.520 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.727 2.139 7.113 1.00 0.00 H new ATOM 329 N LEU A 24 3.090 -0.875 3.399 1.00 0.00 N ATOM 330 CA LEU A 24 2.908 -0.559 2.001 1.00 0.00 C ATOM 331 C LEU A 24 1.696 0.333 1.802 1.00 0.00 C ATOM 332 O LEU A 24 0.558 -0.097 1.952 1.00 0.00 O ATOM 333 CB LEU A 24 2.749 -1.853 1.207 1.00 0.00 C ATOM 334 CG LEU A 24 3.463 -1.906 -0.137 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.960 -1.736 0.042 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.175 -3.221 -0.815 1.00 0.00 C ATOM 0 H LEU A 24 2.288 -1.321 3.844 1.00 0.00 H new ATOM 0 HA LEU A 24 3.785 -0.019 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.110 -2.678 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.686 -2.023 1.038 1.00 0.00 H new ATOM 0 HG LEU A 24 3.095 -1.089 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.450 -1.777 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.163 -0.773 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.344 -2.536 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.688 -3.255 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.527 -4.039 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.101 -3.321 -0.973 1.00 0.00 H new ATOM 348 N ILE A 25 1.954 1.579 1.460 1.00 0.00 N ATOM 349 CA ILE A 25 0.904 2.515 1.154 1.00 0.00 C ATOM 350 C ILE A 25 0.409 2.248 -0.260 1.00 0.00 C ATOM 351 O ILE A 25 1.180 2.224 -1.220 1.00 0.00 O ATOM 352 CB ILE A 25 1.383 3.981 1.293 1.00 0.00 C ATOM 353 CG1 ILE A 25 0.190 4.926 1.201 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.446 4.323 0.259 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.560 6.389 1.297 1.00 0.00 C ATOM 0 H ILE A 25 2.895 1.965 1.388 1.00 0.00 H new ATOM 0 HA ILE A 25 0.092 2.377 1.868 1.00 0.00 H new ATOM 0 HB ILE A 25 1.847 4.102 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.326 4.753 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.514 4.686 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.758 5.359 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.306 3.666 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.036 4.189 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.341 6.998 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.049 6.579 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.239 6.647 0.484 1.00 0.00 H new ATOM 367 N VAL A 26 -0.866 1.982 -0.381 1.00 0.00 N ATOM 368 CA VAL A 26 -1.440 1.661 -1.662 1.00 0.00 C ATOM 369 C VAL A 26 -2.447 2.714 -2.048 1.00 0.00 C ATOM 370 O VAL A 26 -3.521 2.809 -1.463 1.00 0.00 O ATOM 371 CB VAL A 26 -2.108 0.285 -1.655 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.456 -0.134 -3.071 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.195 -0.726 -1.005 1.00 0.00 C ATOM 0 H VAL A 26 -1.528 1.981 0.395 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.631 1.636 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.031 0.338 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.931 -1.115 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.141 0.593 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.547 -0.182 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.677 -1.704 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.260 -0.783 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.988 -0.422 0.021 1.00 0.00 H new ATOM 383 N ASN A 27 -2.080 3.513 -3.017 1.00 0.00 N ATOM 384 CA ASN A 27 -2.944 4.561 -3.500 1.00 0.00 C ATOM 385 C ASN A 27 -3.765 4.043 -4.649 1.00 0.00 C ATOM 386 O ASN A 27 -3.589 2.902 -5.082 1.00 0.00 O ATOM 387 CB ASN A 27 -2.145 5.780 -3.956 1.00 0.00 C ATOM 388 CG ASN A 27 -2.279 6.950 -3.008 1.00 0.00 C ATOM 389 OD1 ASN A 27 -3.219 7.741 -3.104 1.00 0.00 O ATOM 390 ND2 ASN A 27 -1.332 7.081 -2.099 1.00 0.00 N ATOM 0 H ASN A 27 -1.179 3.457 -3.492 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.594 4.869 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.093 5.508 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.482 6.080 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.361 7.860 -1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.571 6.403 -2.054 1.00 0.00 H new ATOM 397 N TYR A 28 -4.650 4.888 -5.136 1.00 0.00 N ATOM 398 CA TYR A 28 -5.487 4.559 -6.277 1.00 0.00 C ATOM 399 C TYR A 28 -6.310 3.295 -6.014 1.00 0.00 C ATOM 400 O TYR A 28 -6.559 2.508 -6.922 1.00 0.00 O ATOM 401 CB TYR A 28 -4.627 4.383 -7.534 1.00 0.00 C ATOM 402 CG TYR A 28 -3.804 5.601 -7.903 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.532 5.784 -7.381 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.293 6.557 -8.782 1.00 0.00 C ATOM 405 CE1 TYR A 28 -1.766 6.882 -7.718 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.537 7.661 -9.126 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.273 7.820 -8.591 1.00 0.00 C ATOM 408 OH TYR A 28 -1.513 8.915 -8.936 1.00 0.00 O ATOM 0 H TYR A 28 -4.811 5.820 -4.755 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.180 5.385 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.956 3.537 -7.385 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.277 4.131 -8.372 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.132 5.051 -6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.280 6.436 -9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.777 7.005 -7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.932 8.397 -9.810 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.016 9.478 -9.561 1.00 0.00 H new ATOM 418 N LEU A 29 -6.710 3.102 -4.762 1.00 0.00 N ATOM 419 CA LEU A 29 -7.597 1.999 -4.402 1.00 0.00 C ATOM 420 C LEU A 29 -9.003 2.319 -4.868 1.00 0.00 C ATOM 421 O LEU A 29 -9.391 3.490 -4.904 1.00 0.00 O ATOM 422 CB LEU A 29 -7.613 1.776 -2.886 1.00 0.00 C ATOM 423 CG LEU A 29 -6.307 1.275 -2.274 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.539 0.779 -0.855 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.707 0.179 -3.133 1.00 0.00 C ATOM 0 H LEU A 29 -6.435 3.694 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.231 1.092 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.882 2.715 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.400 1.060 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.602 2.105 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.597 0.426 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.926 1.594 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.260 -0.039 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.777 -0.167 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.408 -0.653 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.505 0.568 -4.131 1.00 0.00 H new ATOM 437 N PRO A 30 -9.778 1.297 -5.248 1.00 0.00 N ATOM 438 CA PRO A 30 -11.172 1.493 -5.599 1.00 0.00 C ATOM 439 C PRO A 30 -11.922 2.156 -4.449 1.00 0.00 C ATOM 440 O PRO A 30 -11.773 1.749 -3.292 1.00 0.00 O ATOM 441 CB PRO A 30 -11.721 0.088 -5.832 1.00 0.00 C ATOM 442 CG PRO A 30 -10.539 -0.811 -5.966 1.00 0.00 C ATOM 443 CD PRO A 30 -9.348 -0.102 -5.378 1.00 0.00 C ATOM 0 HA PRO A 30 -11.285 2.136 -6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.354 -0.224 -5.001 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.337 0.056 -6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.716 -1.753 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.360 -1.052 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.073 -0.524 -4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.475 -0.190 -6.025 1.00 0.00 H new ATOM 451 N GLN A 31 -12.741 3.147 -4.760 1.00 0.00 N ATOM 452 CA GLN A 31 -13.387 3.961 -3.735 1.00 0.00 C ATOM 453 C GLN A 31 -14.444 3.162 -2.966 1.00 0.00 C ATOM 454 O GLN A 31 -15.027 3.654 -1.999 1.00 0.00 O ATOM 455 CB GLN A 31 -14.017 5.197 -4.368 1.00 0.00 C ATOM 456 CG GLN A 31 -13.049 5.975 -5.245 1.00 0.00 C ATOM 457 CD GLN A 31 -11.829 6.512 -4.509 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.983 6.869 -3.243 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -10.750 6.625 -5.091 1.00 0.00 N flip ATOM 0 H GLN A 31 -12.977 3.411 -5.717 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.623 4.272 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.877 4.894 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.391 5.851 -3.580 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.714 5.330 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.581 6.810 -5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.665 6.341 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.941 7.003 -4.597 1.00 0.00 H new ATOM 468 N ASN A 32 -14.687 1.934 -3.408 1.00 0.00 N ATOM 469 CA ASN A 32 -15.672 1.064 -2.783 1.00 0.00 C ATOM 470 C ASN A 32 -15.034 -0.227 -2.267 1.00 0.00 C ATOM 471 O ASN A 32 -15.736 -1.144 -1.842 1.00 0.00 O ATOM 472 CB ASN A 32 -16.777 0.722 -3.787 1.00 0.00 C ATOM 473 CG ASN A 32 -16.276 -0.079 -4.981 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.124 0.055 -5.405 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.135 -0.924 -5.527 1.00 0.00 N ATOM 0 H ASN A 32 -14.209 1.516 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.096 1.598 -1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.558 0.155 -3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.234 1.645 -4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.854 -1.492 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.079 -1.007 -5.149 1.00 0.00 H new ATOM 482 N MET A 33 -13.709 -0.308 -2.308 1.00 0.00 N ATOM 483 CA MET A 33 -13.015 -1.524 -1.896 1.00 0.00 C ATOM 484 C MET A 33 -12.901 -1.602 -0.374 1.00 0.00 C ATOM 485 O MET A 33 -13.130 -0.613 0.318 1.00 0.00 O ATOM 486 CB MET A 33 -11.631 -1.573 -2.529 1.00 0.00 C ATOM 487 CG MET A 33 -11.267 -2.952 -3.038 1.00 0.00 C ATOM 488 SD MET A 33 -9.634 -3.023 -3.785 1.00 0.00 S ATOM 489 CE MET A 33 -8.633 -2.236 -2.526 1.00 0.00 C ATOM 0 H MET A 33 -13.097 0.447 -2.619 1.00 0.00 H new ATOM 0 HA MET A 33 -13.596 -2.381 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.589 -0.863 -3.355 1.00 0.00 H new ATOM 0 HB3 MET A 33 -10.890 -1.254 -1.796 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.312 -3.661 -2.211 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.009 -3.269 -3.771 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.584 -2.485 -2.687 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.762 -1.155 -2.581 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.942 -2.589 -1.542 1.00 0.00 H new ATOM 499 N THR A 34 -12.548 -2.778 0.142 1.00 0.00 N ATOM 500 CA THR A 34 -12.478 -2.994 1.584 1.00 0.00 C ATOM 501 C THR A 34 -11.052 -3.311 2.021 1.00 0.00 C ATOM 502 O THR A 34 -10.188 -3.545 1.171 1.00 0.00 O ATOM 503 CB THR A 34 -13.390 -4.160 2.016 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.803 -5.410 1.629 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.757 -4.043 1.367 1.00 0.00 C ATOM 0 H THR A 34 -12.306 -3.595 -0.418 1.00 0.00 H new ATOM 0 HA THR A 34 -12.812 -2.072 2.060 1.00 0.00 H new ATOM 0 HB THR A 34 -13.501 -4.117 3.100 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.453 -6.132 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.384 -4.876 1.686 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.222 -3.104 1.666 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.648 -4.065 0.283 1.00 0.00 H new ATOM 513 N GLN A 35 -10.800 -3.308 3.336 1.00 0.00 N ATOM 514 CA GLN A 35 -9.527 -3.800 3.859 1.00 0.00 C ATOM 515 C GLN A 35 -9.275 -5.189 3.331 1.00 0.00 C ATOM 516 O GLN A 35 -8.211 -5.472 2.825 1.00 0.00 O ATOM 517 CB GLN A 35 -9.493 -3.882 5.387 1.00 0.00 C ATOM 518 CG GLN A 35 -9.665 -2.566 6.122 1.00 0.00 C ATOM 519 CD GLN A 35 -11.089 -2.036 6.086 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.063 -2.935 6.038 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.311 -0.828 6.109 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.453 -2.975 4.046 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.767 -3.088 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.278 -4.564 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.543 -4.323 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.360 -2.696 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.998 -1.824 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.535 -0.167 6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.272 -0.486 6.091 1.00 0.00 H new ATOM 530 N ASP A 36 -10.290 -6.032 3.435 1.00 0.00 N ATOM 531 CA ASP A 36 -10.182 -7.446 3.084 1.00 0.00 C ATOM 532 C ASP A 36 -9.773 -7.629 1.627 1.00 0.00 C ATOM 533 O ASP A 36 -9.045 -8.559 1.295 1.00 0.00 O ATOM 534 CB ASP A 36 -11.520 -8.131 3.346 1.00 0.00 C ATOM 535 CG ASP A 36 -11.461 -9.631 3.149 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.821 -10.320 3.970 1.00 0.00 O ATOM 537 OD2 ASP A 36 -12.075 -10.135 2.187 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.215 -5.758 3.765 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.407 -7.899 3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.840 -7.916 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.274 -7.711 2.680 1.00 0.00 H new ATOM 542 N GLU A 37 -10.231 -6.737 0.762 1.00 0.00 N ATOM 543 CA GLU A 37 -9.862 -6.782 -0.646 1.00 0.00 C ATOM 544 C GLU A 37 -8.434 -6.280 -0.828 1.00 0.00 C ATOM 545 O GLU A 37 -7.618 -6.904 -1.508 1.00 0.00 O ATOM 546 CB GLU A 37 -10.819 -5.919 -1.457 1.00 0.00 C ATOM 547 CG GLU A 37 -12.280 -6.335 -1.336 1.00 0.00 C ATOM 548 CD GLU A 37 -12.552 -7.698 -1.938 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.223 -7.911 -3.124 1.00 0.00 O ATOM 550 OE2 GLU A 37 -13.112 -8.563 -1.230 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.859 -5.973 1.010 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.923 -7.812 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.719 -4.882 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.526 -5.957 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.565 -6.344 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.907 -5.593 -1.830 1.00 0.00 H new ATOM 557 N LEU A 38 -8.144 -5.150 -0.193 1.00 0.00 N ATOM 558 CA LEU A 38 -6.812 -4.562 -0.194 1.00 0.00 C ATOM 559 C LEU A 38 -5.819 -5.538 0.456 1.00 0.00 C ATOM 560 O LEU A 38 -4.646 -5.597 0.105 1.00 0.00 O ATOM 561 CB LEU A 38 -6.889 -3.211 0.561 1.00 0.00 C ATOM 562 CG LEU A 38 -5.614 -2.364 0.627 1.00 0.00 C ATOM 563 CD1 LEU A 38 -4.821 -2.679 1.877 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.772 -2.573 -0.618 1.00 0.00 C ATOM 0 H LEU A 38 -8.830 -4.615 0.339 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.458 -4.376 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.669 -2.609 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.211 -3.414 1.582 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.902 -1.314 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.921 -2.065 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.429 -2.466 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.542 -3.733 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.870 -1.964 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.495 -3.624 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.345 -2.281 -1.498 1.00 0.00 H new ATOM 576 N ARG A 39 -6.330 -6.320 1.383 1.00 0.00 N ATOM 577 CA ARG A 39 -5.544 -7.282 2.130 1.00 0.00 C ATOM 578 C ARG A 39 -5.328 -8.562 1.312 1.00 0.00 C ATOM 579 O ARG A 39 -4.224 -9.092 1.272 1.00 0.00 O ATOM 580 CB ARG A 39 -6.274 -7.582 3.456 1.00 0.00 C ATOM 581 CG ARG A 39 -5.418 -8.177 4.561 1.00 0.00 C ATOM 582 CD ARG A 39 -5.119 -9.636 4.310 1.00 0.00 C ATOM 583 NE ARG A 39 -4.322 -10.231 5.381 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.008 -11.524 5.445 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.482 -12.370 4.541 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.235 -11.971 6.423 1.00 0.00 N ATOM 0 H ARG A 39 -7.316 -6.306 1.643 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.558 -6.870 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.716 -6.656 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.096 -8.268 3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.483 -7.621 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.931 -8.070 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.056 -10.184 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.587 -9.738 3.364 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.986 -9.619 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.089 -12.031 3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.240 -13.360 4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.880 -11.325 7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.995 -12.961 6.471 1.00 0.00 H new ATOM 600 N SER A 40 -6.380 -9.040 0.647 1.00 0.00 N ATOM 601 CA SER A 40 -6.314 -10.306 -0.088 1.00 0.00 C ATOM 602 C SER A 40 -5.456 -10.190 -1.346 1.00 0.00 C ATOM 603 O SER A 40 -4.710 -11.111 -1.684 1.00 0.00 O ATOM 604 CB SER A 40 -7.722 -10.787 -0.448 1.00 0.00 C ATOM 605 OG SER A 40 -8.479 -9.753 -1.051 1.00 0.00 O ATOM 0 H SER A 40 -7.285 -8.573 0.601 1.00 0.00 H new ATOM 0 HA SER A 40 -5.842 -11.039 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.656 -11.636 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.230 -11.137 0.451 1.00 0.00 H new ATOM 0 HG SER A 40 -8.947 -9.243 -0.357 1.00 0.00 H new ATOM 611 N LEU A 41 -5.566 -9.066 -2.036 1.00 0.00 N ATOM 612 CA LEU A 41 -4.776 -8.810 -3.230 1.00 0.00 C ATOM 613 C LEU A 41 -3.296 -8.765 -2.893 1.00 0.00 C ATOM 614 O LEU A 41 -2.462 -9.213 -3.668 1.00 0.00 O ATOM 615 CB LEU A 41 -5.260 -7.498 -3.850 1.00 0.00 C ATOM 616 CG LEU A 41 -4.819 -7.202 -5.284 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.657 -6.228 -5.298 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.455 -8.483 -6.027 1.00 0.00 C ATOM 0 H LEU A 41 -6.202 -8.309 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.906 -9.616 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.350 -7.493 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.921 -6.679 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.661 -6.743 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.359 -6.031 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.959 -5.295 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.816 -6.657 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.146 -8.239 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.637 -8.984 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.322 -9.143 -6.060 1.00 0.00 H new ATOM 630 N PHE A 42 -2.968 -8.241 -1.737 1.00 0.00 N ATOM 631 CA PHE A 42 -1.593 -8.248 -1.284 1.00 0.00 C ATOM 632 C PHE A 42 -1.242 -9.588 -0.653 1.00 0.00 C ATOM 633 O PHE A 42 -0.091 -10.014 -0.665 1.00 0.00 O ATOM 634 CB PHE A 42 -1.342 -7.064 -0.356 1.00 0.00 C ATOM 635 CG PHE A 42 -1.291 -5.779 -1.126 1.00 0.00 C ATOM 636 CD1 PHE A 42 -0.100 -5.085 -1.283 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.434 -5.287 -1.741 1.00 0.00 C ATOM 638 CE1 PHE A 42 -0.060 -3.928 -2.037 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.391 -4.133 -2.485 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.206 -3.460 -2.633 1.00 0.00 C ATOM 0 H PHE A 42 -3.629 -7.806 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.926 -8.129 -2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.131 -7.012 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.403 -7.209 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.801 -5.451 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.368 -5.818 -1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.870 -3.393 -2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.289 -3.757 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.173 -2.556 -3.222 1.00 0.00 H new ATOM 650 N SER A 43 -2.249 -10.281 -0.148 1.00 0.00 N ATOM 651 CA SER A 43 -2.057 -11.633 0.342 1.00 0.00 C ATOM 652 C SER A 43 -1.749 -12.564 -0.833 1.00 0.00 C ATOM 653 O SER A 43 -1.319 -13.703 -0.641 1.00 0.00 O ATOM 654 CB SER A 43 -3.294 -12.119 1.102 1.00 0.00 C ATOM 655 OG SER A 43 -3.056 -13.372 1.723 1.00 0.00 O ATOM 0 H SER A 43 -3.203 -9.930 -0.067 1.00 0.00 H new ATOM 0 HA SER A 43 -1.216 -11.640 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.573 -11.383 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.136 -12.205 0.415 1.00 0.00 H new ATOM 0 HG SER A 43 -2.492 -13.924 1.141 1.00 0.00 H new ATOM 661 N SER A 44 -1.977 -12.068 -2.050 1.00 0.00 N ATOM 662 CA SER A 44 -1.640 -12.811 -3.251 1.00 0.00 C ATOM 663 C SER A 44 -0.123 -12.833 -3.411 1.00 0.00 C ATOM 664 O SER A 44 0.465 -13.856 -3.769 1.00 0.00 O ATOM 665 CB SER A 44 -2.320 -12.196 -4.486 1.00 0.00 C ATOM 666 OG SER A 44 -1.550 -11.144 -5.044 1.00 0.00 O ATOM 0 H SER A 44 -2.394 -11.154 -2.223 1.00 0.00 H new ATOM 0 HA SER A 44 -2.005 -13.834 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.476 -12.970 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.304 -11.818 -4.208 1.00 0.00 H new ATOM 0 HG SER A 44 -1.539 -10.383 -4.426 1.00 0.00 H new ATOM 672 N ILE A 45 0.499 -11.693 -3.118 1.00 0.00 N ATOM 673 CA ILE A 45 1.956 -11.587 -3.088 1.00 0.00 C ATOM 674 C ILE A 45 2.537 -12.501 -2.018 1.00 0.00 C ATOM 675 O ILE A 45 3.513 -13.213 -2.252 1.00 0.00 O ATOM 676 CB ILE A 45 2.400 -10.130 -2.821 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.089 -9.259 -4.033 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.890 -10.057 -2.489 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.117 -9.376 -5.122 1.00 0.00 C ATOM 0 H ILE A 45 0.013 -10.824 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 45 2.331 -11.895 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 45 1.845 -9.759 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.113 -9.536 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.020 -8.218 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.172 -9.020 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.094 -10.651 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.469 -10.448 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.838 -8.732 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.090 -9.071 -4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.169 -10.410 -5.463 1.00 0.00 H new ATOM 691 N GLY A 46 1.917 -12.497 -0.850 1.00 0.00 N ATOM 692 CA GLY A 46 2.414 -13.296 0.246 1.00 0.00 C ATOM 693 C GLY A 46 1.686 -13.015 1.536 1.00 0.00 C ATOM 694 O GLY A 46 0.497 -12.699 1.532 1.00 0.00 O ATOM 0 H GLY A 46 1.079 -11.955 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.313 -14.352 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.478 -13.101 0.382 1.00 0.00 H new ATOM 698 N GLU A 47 2.394 -13.128 2.644 1.00 0.00 N ATOM 699 CA GLU A 47 1.804 -12.920 3.950 1.00 0.00 C ATOM 700 C GLU A 47 1.716 -11.451 4.311 1.00 0.00 C ATOM 701 O GLU A 47 2.725 -10.756 4.454 1.00 0.00 O ATOM 702 CB GLU A 47 2.595 -13.669 5.013 1.00 0.00 C ATOM 703 CG GLU A 47 1.875 -14.884 5.546 1.00 0.00 C ATOM 704 CD GLU A 47 2.727 -15.710 6.482 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.199 -16.788 6.066 1.00 0.00 O ATOM 706 OE2 GLU A 47 2.926 -15.291 7.643 1.00 0.00 O1- ATOM 0 H GLU A 47 3.386 -13.365 2.663 1.00 0.00 H new ATOM 0 HA GLU A 47 0.787 -13.310 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.553 -13.977 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.812 -12.992 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.974 -14.565 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.555 -15.506 4.710 1.00 0.00 H new ATOM 713 N VAL A 48 0.489 -10.995 4.459 1.00 0.00 N ATOM 714 CA VAL A 48 0.216 -9.650 4.906 1.00 0.00 C ATOM 715 C VAL A 48 0.053 -9.637 6.402 1.00 0.00 C ATOM 716 O VAL A 48 -0.715 -10.409 6.974 1.00 0.00 O ATOM 717 CB VAL A 48 -1.034 -9.076 4.213 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.346 -7.676 4.722 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.825 -9.085 2.710 1.00 0.00 C ATOM 0 H VAL A 48 -0.346 -11.550 4.272 1.00 0.00 H new ATOM 0 HA VAL A 48 1.059 -9.015 4.635 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.894 -9.702 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.233 -7.294 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.528 -7.711 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.501 -7.018 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.709 -8.679 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.043 -8.475 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.659 -10.108 2.372 1.00 0.00 H new ATOM 729 N GLU A 49 0.816 -8.764 7.024 1.00 0.00 N ATOM 730 CA GLU A 49 0.859 -8.661 8.452 1.00 0.00 C ATOM 731 C GLU A 49 -0.376 -7.926 8.962 1.00 0.00 C ATOM 732 O GLU A 49 -0.959 -8.297 9.980 1.00 0.00 O ATOM 733 CB GLU A 49 2.134 -7.951 8.859 1.00 0.00 C ATOM 734 CG GLU A 49 2.315 -7.894 10.354 1.00 0.00 C ATOM 735 CD GLU A 49 3.695 -7.440 10.773 1.00 0.00 C ATOM 736 OE1 GLU A 49 3.858 -6.251 11.101 1.00 0.00 O ATOM 737 OE2 GLU A 49 4.628 -8.272 10.784 1.00 0.00 O1- ATOM 0 H GLU A 49 1.426 -8.104 6.541 1.00 0.00 H new ATOM 0 HA GLU A 49 0.857 -9.656 8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.988 -8.461 8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.124 -6.937 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.573 -7.217 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.122 -8.881 10.774 1.00 0.00 H new ATOM 744 N SER A 50 -0.767 -6.880 8.236 1.00 0.00 N ATOM 745 CA SER A 50 -2.003 -6.155 8.521 1.00 0.00 C ATOM 746 C SER A 50 -2.297 -5.158 7.401 1.00 0.00 C ATOM 747 O SER A 50 -1.427 -4.377 7.019 1.00 0.00 O ATOM 748 CB SER A 50 -1.911 -5.434 9.873 1.00 0.00 C ATOM 749 OG SER A 50 -0.749 -4.623 9.951 1.00 0.00 O ATOM 0 H SER A 50 -0.242 -6.514 7.442 1.00 0.00 H new ATOM 0 HA SER A 50 -2.821 -6.873 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.797 -4.817 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.898 -6.168 10.678 1.00 0.00 H new ATOM 0 HG SER A 50 -0.626 -4.145 9.104 1.00 0.00 H new ATOM 755 N ALA A 51 -3.511 -5.182 6.862 1.00 0.00 N ATOM 756 CA ALA A 51 -3.854 -4.281 5.771 1.00 0.00 C ATOM 757 C ALA A 51 -4.853 -3.218 6.206 1.00 0.00 C ATOM 758 O ALA A 51 -5.920 -3.510 6.744 1.00 0.00 O ATOM 759 CB ALA A 51 -4.352 -5.041 4.554 1.00 0.00 C ATOM 0 H ALA A 51 -4.262 -5.805 7.157 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.937 -3.766 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.598 -4.336 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.574 -5.721 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.241 -5.612 4.821 1.00 0.00 H new ATOM 765 N LYS A 52 -4.469 -1.984 5.962 1.00 0.00 N ATOM 766 CA LYS A 52 -5.205 -0.806 6.378 1.00 0.00 C ATOM 767 C LYS A 52 -5.929 -0.188 5.186 1.00 0.00 C ATOM 768 O LYS A 52 -5.296 0.202 4.217 1.00 0.00 O ATOM 769 CB LYS A 52 -4.174 0.182 6.934 1.00 0.00 C ATOM 770 CG LYS A 52 -4.709 1.487 7.457 1.00 0.00 C ATOM 771 CD LYS A 52 -3.637 2.203 8.256 1.00 0.00 C ATOM 772 CE LYS A 52 -4.184 3.422 8.970 1.00 0.00 C ATOM 773 NZ LYS A 52 -3.134 4.122 9.755 1.00 0.00 N1+ ATOM 0 H LYS A 52 -3.612 -1.764 5.454 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.955 -1.058 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.629 -0.311 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.452 0.400 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.036 2.114 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.582 1.307 8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.209 1.516 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.829 2.505 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.610 4.110 8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.994 3.121 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.549 4.950 10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.745 3.474 10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.373 4.432 9.118 1.00 0.00 H new ATOM 787 N LEU A 53 -7.247 -0.126 5.235 1.00 0.00 N ATOM 788 CA LEU A 53 -7.999 0.595 4.229 1.00 0.00 C ATOM 789 C LEU A 53 -8.486 1.899 4.826 1.00 0.00 C ATOM 790 O LEU A 53 -9.021 1.917 5.934 1.00 0.00 O ATOM 791 CB LEU A 53 -9.183 -0.229 3.740 1.00 0.00 C ATOM 792 CG LEU A 53 -10.097 0.489 2.760 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.726 0.155 1.327 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.543 0.135 3.035 1.00 0.00 C ATOM 0 H LEU A 53 -7.816 -0.565 5.959 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.353 0.793 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.806 -1.136 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.772 -0.541 4.603 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.970 1.563 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.395 0.681 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.698 0.463 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.818 -0.919 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.186 0.656 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.681 -0.941 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.804 0.435 4.050 1.00 0.00 H new ATOM 806 N ILE A 54 -8.290 2.985 4.108 1.00 0.00 N ATOM 807 CA ILE A 54 -8.653 4.294 4.617 1.00 0.00 C ATOM 808 C ILE A 54 -10.023 4.699 4.107 1.00 0.00 C ATOM 809 O ILE A 54 -10.242 4.771 2.896 1.00 0.00 O ATOM 810 CB ILE A 54 -7.637 5.361 4.189 1.00 0.00 C ATOM 811 CG1 ILE A 54 -6.209 4.919 4.529 1.00 0.00 C ATOM 812 CG2 ILE A 54 -7.955 6.699 4.841 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.021 4.450 5.956 1.00 0.00 C ATOM 0 H ILE A 54 -7.883 2.989 3.173 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.663 4.226 5.705 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.707 5.483 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.921 4.113 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.530 5.751 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.222 7.441 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.952 7.022 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.919 6.593 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.982 4.157 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.274 5.259 6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.671 3.596 6.147 1.00 0.00 H new ATOM 934 N SER A 62 -14.234 4.443 1.138 1.00 0.00 N ATOM 935 CA SER A 62 -12.789 4.449 1.039 1.00 0.00 C ATOM 936 C SER A 62 -12.302 5.714 0.347 1.00 0.00 C ATOM 937 O SER A 62 -12.925 6.194 -0.599 1.00 0.00 O ATOM 938 CB SER A 62 -12.333 3.207 0.277 1.00 0.00 C ATOM 939 OG SER A 62 -13.018 2.063 0.759 1.00 0.00 O ATOM 0 HA SER A 62 -12.360 4.434 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.525 3.333 -0.789 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.258 3.073 0.394 1.00 0.00 H new ATOM 0 HG SER A 62 -13.855 2.339 1.187 1.00 0.00 H new ATOM 945 N LEU A 63 -11.191 6.251 0.828 1.00 0.00 N ATOM 946 CA LEU A 63 -10.689 7.531 0.347 1.00 0.00 C ATOM 947 C LEU A 63 -9.617 7.346 -0.725 1.00 0.00 C ATOM 948 O LEU A 63 -8.797 8.233 -0.963 1.00 0.00 O ATOM 949 CB LEU A 63 -10.153 8.354 1.518 1.00 0.00 C ATOM 950 CG LEU A 63 -11.170 8.609 2.634 1.00 0.00 C ATOM 951 CD1 LEU A 63 -10.559 9.451 3.739 1.00 0.00 C ATOM 952 CD2 LEU A 63 -12.420 9.280 2.084 1.00 0.00 C ATOM 0 H LEU A 63 -10.618 5.820 1.553 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.516 8.070 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.290 7.841 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.800 9.313 1.140 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.455 7.645 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.300 9.619 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.699 8.930 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.238 10.410 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.128 9.451 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.151 10.234 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.878 8.637 1.333 1.00 0.00 H new ATOM 964 N GLY A 64 -9.620 6.179 -1.353 1.00 0.00 N ATOM 965 CA GLY A 64 -8.792 5.958 -2.525 1.00 0.00 C ATOM 966 C GLY A 64 -7.389 5.486 -2.208 1.00 0.00 C ATOM 967 O GLY A 64 -6.545 5.420 -3.098 1.00 0.00 O ATOM 0 H GLY A 64 -10.183 5.377 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.276 5.221 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.732 6.885 -3.095 1.00 0.00 H new ATOM 971 N TYR A 65 -7.123 5.147 -0.955 1.00 0.00 N ATOM 972 CA TYR A 65 -5.799 4.659 -0.586 1.00 0.00 C ATOM 973 C TYR A 65 -5.836 3.835 0.696 1.00 0.00 C ATOM 974 O TYR A 65 -6.827 3.846 1.431 1.00 0.00 O ATOM 975 CB TYR A 65 -4.802 5.822 -0.452 1.00 0.00 C ATOM 976 CG TYR A 65 -5.027 6.718 0.732 1.00 0.00 C ATOM 977 CD1 TYR A 65 -6.095 7.598 0.775 1.00 0.00 C ATOM 978 CD2 TYR A 65 -4.148 6.697 1.799 1.00 0.00 C ATOM 979 CE1 TYR A 65 -6.281 8.431 1.855 1.00 0.00 C ATOM 980 CE2 TYR A 65 -4.327 7.524 2.883 1.00 0.00 C ATOM 981 CZ TYR A 65 -5.395 8.392 2.907 1.00 0.00 C ATOM 982 OH TYR A 65 -5.578 9.220 3.989 1.00 0.00 O ATOM 0 H TYR A 65 -7.792 5.199 -0.187 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.461 4.004 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.794 5.411 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.847 6.425 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.791 7.631 -0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.307 6.020 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.119 9.112 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.634 7.493 3.711 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.865 9.066 4.643 1.00 0.00 H new ATOM 992 N GLY A 66 -4.751 3.111 0.939 1.00 0.00 N ATOM 993 CA GLY A 66 -4.640 2.270 2.112 1.00 0.00 C ATOM 994 C GLY A 66 -3.194 1.969 2.452 1.00 0.00 C ATOM 995 O GLY A 66 -2.285 2.472 1.798 1.00 0.00 O ATOM 0 H GLY A 66 -3.932 3.093 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.118 2.762 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.176 1.336 1.942 1.00 0.00 H new ATOM 999 N PHE A 67 -2.985 1.160 3.479 1.00 0.00 N ATOM 1000 CA PHE A 67 -1.655 0.816 3.942 1.00 0.00 C ATOM 1001 C PHE A 67 -1.605 -0.656 4.350 1.00 0.00 C ATOM 1002 O PHE A 67 -2.106 -1.027 5.397 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.317 1.649 5.173 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.359 3.142 4.996 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.200 3.855 4.784 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -2.558 3.831 5.065 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.227 5.230 4.642 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -2.596 5.203 4.920 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.427 5.905 4.709 1.00 0.00 C ATOM 0 H PHE A 67 -3.736 0.724 4.014 1.00 0.00 H new ATOM 0 HA PHE A 67 -0.947 1.008 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.009 1.379 5.970 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.318 1.372 5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.744 3.333 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.476 3.288 5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.691 5.775 4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.539 5.726 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.452 6.979 4.597 1.00 0.00 H new ATOM 1019 N VAL A 68 -0.973 -1.483 3.562 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.853 -2.890 3.902 1.00 0.00 C ATOM 1021 C VAL A 68 0.559 -3.221 4.358 1.00 0.00 C ATOM 1022 O VAL A 68 1.524 -3.081 3.621 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.334 -3.830 2.760 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.495 -3.077 1.465 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.422 -5.039 2.563 1.00 0.00 C ATOM 0 H VAL A 68 -0.532 -1.216 2.682 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.526 -3.074 4.740 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.307 -4.210 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.832 -3.761 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.231 -2.283 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.539 -2.641 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.808 -5.658 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.583 -4.700 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.389 -5.624 3.482 1.00 0.00 H new ATOM 1035 N ASN A 69 0.662 -3.612 5.610 1.00 0.00 N ATOM 1036 CA ASN A 69 1.926 -3.994 6.196 1.00 0.00 C ATOM 1037 C ASN A 69 2.182 -5.461 5.924 1.00 0.00 C ATOM 1038 O ASN A 69 1.368 -6.306 6.278 1.00 0.00 O ATOM 1039 CB ASN A 69 1.894 -3.752 7.704 1.00 0.00 C ATOM 1040 CG ASN A 69 3.273 -3.594 8.304 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.847 -4.684 8.777 1.00 0.00 O flip ATOM 1042 ND2 ASN A 69 3.810 -2.488 8.360 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.130 -3.674 6.250 1.00 0.00 H new ATOM 0 HA ASN A 69 2.723 -3.395 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.309 -2.856 7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.385 -4.585 8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.332 -1.670 7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.733 -2.390 8.784 1.00 0.00 H new ATOM 1049 N TYR A 70 3.289 -5.759 5.276 1.00 0.00 N ATOM 1050 CA TYR A 70 3.669 -7.130 5.011 1.00 0.00 C ATOM 1051 C TYR A 70 4.477 -7.695 6.160 1.00 0.00 C ATOM 1052 O TYR A 70 4.946 -6.961 7.032 1.00 0.00 O ATOM 1053 CB TYR A 70 4.493 -7.216 3.727 1.00 0.00 C ATOM 1054 CG TYR A 70 3.684 -7.377 2.466 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.040 -8.575 2.192 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.583 -6.349 1.537 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.318 -8.744 1.031 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.859 -6.513 0.379 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.231 -7.709 0.131 1.00 0.00 C ATOM 1060 OH TYR A 70 1.522 -7.873 -1.029 1.00 0.00 O ATOM 0 H TYR A 70 3.946 -5.064 4.921 1.00 0.00 H new ATOM 0 HA TYR A 70 2.756 -7.714 4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.099 -6.314 3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.182 -8.057 3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.106 -9.388 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.079 -5.409 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.824 -9.683 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.785 -5.704 -0.333 1.00 0.00 H new ATOM 0 HH TYR A 70 0.958 -8.671 -0.958 1.00 0.00 H new ATOM 1070 N VAL A 71 4.624 -9.008 6.162 1.00 0.00 N ATOM 1071 CA VAL A 71 5.482 -9.670 7.125 1.00 0.00 C ATOM 1072 C VAL A 71 6.942 -9.482 6.711 1.00 0.00 C ATOM 1073 O VAL A 71 7.856 -9.547 7.529 1.00 0.00 O ATOM 1074 CB VAL A 71 5.152 -11.174 7.234 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.692 -11.361 7.622 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.460 -11.898 5.931 1.00 0.00 C ATOM 0 H VAL A 71 4.159 -9.636 5.506 1.00 0.00 H new ATOM 0 HA VAL A 71 5.313 -9.223 8.105 1.00 0.00 H new ATOM 0 HB VAL A 71 5.780 -11.609 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.469 -12.425 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.507 -10.883 8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.053 -10.908 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.218 -12.956 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.864 -11.468 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.519 -11.790 5.696 1.00 0.00 H new ATOM 1086 N THR A 72 7.129 -9.226 5.421 1.00 0.00 N ATOM 1087 CA THR A 72 8.440 -9.020 4.830 1.00 0.00 C ATOM 1088 C THR A 72 8.525 -7.654 4.170 1.00 0.00 C ATOM 1089 O THR A 72 7.512 -7.079 3.781 1.00 0.00 O ATOM 1090 CB THR A 72 8.703 -10.053 3.726 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.505 -10.251 2.973 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.196 -11.374 4.273 1.00 0.00 C ATOM 0 H THR A 72 6.363 -9.155 4.751 1.00 0.00 H new ATOM 0 HA THR A 72 9.168 -9.111 5.636 1.00 0.00 H new ATOM 0 HB THR A 72 9.493 -9.661 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.617 -11.020 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.366 -12.068 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.129 -11.218 4.815 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.449 -11.789 4.949 1.00 0.00 H new ATOM 1100 N ALA A 73 9.733 -7.139 4.042 1.00 0.00 N ATOM 1101 CA ALA A 73 9.966 -6.005 3.166 1.00 0.00 C ATOM 1102 C ALA A 73 10.218 -6.539 1.766 1.00 0.00 C ATOM 1103 O ALA A 73 10.111 -5.825 0.767 1.00 0.00 O ATOM 1104 CB ALA A 73 11.134 -5.165 3.652 1.00 0.00 C ATOM 0 H ALA A 73 10.561 -7.483 4.528 1.00 0.00 H new ATOM 0 HA ALA A 73 9.093 -5.352 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.284 -4.324 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.922 -4.792 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.036 -5.776 3.676 1.00 0.00 H new ATOM 1110 N LYS A 74 10.541 -7.825 1.727 1.00 0.00 N ATOM 1111 CA LYS A 74 10.743 -8.566 0.494 1.00 0.00 C ATOM 1112 C LYS A 74 9.464 -8.601 -0.348 1.00 0.00 C ATOM 1113 O LYS A 74 9.474 -8.227 -1.520 1.00 0.00 O ATOM 1114 CB LYS A 74 11.226 -9.973 0.853 1.00 0.00 C ATOM 1115 CG LYS A 74 11.230 -10.943 -0.301 1.00 0.00 C ATOM 1116 CD LYS A 74 10.158 -11.994 -0.117 1.00 0.00 C ATOM 1117 CE LYS A 74 9.748 -12.580 -1.450 1.00 0.00 C ATOM 1118 NZ LYS A 74 10.838 -13.378 -2.071 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.672 -8.390 2.566 1.00 0.00 H new ATOM 0 HA LYS A 74 11.497 -8.071 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.236 -9.905 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.591 -10.371 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.064 -10.406 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.206 -11.421 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.526 -12.785 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.290 -11.553 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.870 -13.212 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.459 -11.775 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.513 -13.760 -2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.668 -12.770 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.097 -14.163 -1.439 1.00 0.00 H new ATOM 1132 N ASP A 75 8.363 -9.028 0.254 1.00 0.00 N ATOM 1133 CA ASP A 75 7.087 -9.106 -0.458 1.00 0.00 C ATOM 1134 C ASP A 75 6.450 -7.725 -0.588 1.00 0.00 C ATOM 1135 O ASP A 75 5.559 -7.521 -1.406 1.00 0.00 O ATOM 1136 CB ASP A 75 6.131 -10.079 0.237 1.00 0.00 C ATOM 1137 CG ASP A 75 6.593 -11.525 0.136 1.00 0.00 C ATOM 1138 OD1 ASP A 75 7.059 -12.080 1.158 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.502 -12.116 -0.964 1.00 0.00 O1- ATOM 0 H ASP A 75 8.323 -9.325 1.229 1.00 0.00 H new ATOM 0 HA ASP A 75 7.286 -9.484 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.038 -9.804 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.139 -9.987 -0.205 1.00 0.00 H new ATOM 1144 N ALA A 76 6.915 -6.777 0.216 1.00 0.00 N ATOM 1145 CA ALA A 76 6.481 -5.388 0.093 1.00 0.00 C ATOM 1146 C ALA A 76 6.916 -4.830 -1.252 1.00 0.00 C ATOM 1147 O ALA A 76 6.100 -4.360 -2.044 1.00 0.00 O ATOM 1148 CB ALA A 76 7.065 -4.549 1.224 1.00 0.00 C ATOM 0 H ALA A 76 7.592 -6.943 0.960 1.00 0.00 H new ATOM 0 HA ALA A 76 5.394 -5.350 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.733 -3.516 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.727 -4.944 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.153 -4.587 1.180 1.00 0.00 H new ATOM 1154 N GLU A 77 8.210 -4.916 -1.502 1.00 0.00 N ATOM 1155 CA GLU A 77 8.784 -4.515 -2.774 1.00 0.00 C ATOM 1156 C GLU A 77 8.210 -5.372 -3.900 1.00 0.00 C ATOM 1157 O GLU A 77 8.037 -4.913 -5.028 1.00 0.00 O ATOM 1158 CB GLU A 77 10.299 -4.678 -2.683 1.00 0.00 C ATOM 1159 CG GLU A 77 11.033 -4.408 -3.974 1.00 0.00 C ATOM 1160 CD GLU A 77 12.507 -4.729 -3.859 1.00 0.00 C ATOM 1161 OE1 GLU A 77 12.975 -5.642 -4.571 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.199 -4.088 -3.037 1.00 0.00 O1- ATOM 0 H GLU A 77 8.892 -5.266 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 77 8.540 -3.475 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.679 -4.004 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.524 -5.693 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.593 -5.003 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.909 -3.361 -4.250 1.00 0.00 H new ATOM 1169 N ARG A 78 7.883 -6.613 -3.568 1.00 0.00 N ATOM 1170 CA ARG A 78 7.325 -7.548 -4.522 1.00 0.00 C ATOM 1171 C ARG A 78 5.937 -7.093 -4.941 1.00 0.00 C ATOM 1172 O ARG A 78 5.582 -7.158 -6.110 1.00 0.00 O ATOM 1173 CB ARG A 78 7.249 -8.923 -3.882 1.00 0.00 C ATOM 1174 CG ARG A 78 6.969 -10.060 -4.837 1.00 0.00 C ATOM 1175 CD ARG A 78 6.993 -11.383 -4.095 1.00 0.00 C ATOM 1176 NE ARG A 78 6.655 -12.516 -4.947 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.322 -13.714 -4.473 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.252 -13.910 -3.160 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.042 -14.710 -5.304 1.00 0.00 N ATOM 0 H ARG A 78 7.999 -6.995 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 78 7.960 -7.592 -5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.191 -9.122 -3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.470 -8.909 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.997 -9.917 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.713 -10.068 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.985 -11.538 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.292 -11.339 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 78 6.675 -12.384 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.453 -13.143 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.997 -14.827 -2.794 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.081 -14.560 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.787 -15.626 -4.935 1.00 0.00 H new ATOM 1193 N ALA A 79 5.156 -6.619 -3.972 1.00 0.00 N ATOM 1194 CA ALA A 79 3.824 -6.105 -4.250 1.00 0.00 C ATOM 1195 C ALA A 79 3.908 -4.919 -5.188 1.00 0.00 C ATOM 1196 O ALA A 79 3.052 -4.724 -6.047 1.00 0.00 O ATOM 1197 CB ALA A 79 3.107 -5.716 -2.963 1.00 0.00 C ATOM 0 H ALA A 79 5.426 -6.582 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 79 3.247 -6.895 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.114 -5.335 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.016 -6.590 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.678 -4.944 -2.448 1.00 0.00 H new ATOM 1203 N ILE A 80 4.951 -4.131 -5.020 1.00 0.00 N ATOM 1204 CA ILE A 80 5.181 -2.982 -5.874 1.00 0.00 C ATOM 1205 C ILE A 80 5.562 -3.392 -7.284 1.00 0.00 C ATOM 1206 O ILE A 80 5.169 -2.772 -8.265 1.00 0.00 O ATOM 1207 CB ILE A 80 6.295 -2.121 -5.306 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.004 -1.766 -3.853 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.446 -0.871 -6.133 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.082 -0.941 -3.210 1.00 0.00 C ATOM 0 H ILE A 80 5.657 -4.266 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 80 4.247 -2.422 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 80 7.229 -2.682 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.061 -1.221 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.872 -2.685 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.247 -0.257 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.688 -1.142 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.512 -0.309 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.808 -0.726 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.022 -1.492 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.199 -0.005 -3.757 1.00 0.00 H new ATOM 1222 N ASN A 81 6.330 -4.438 -7.379 1.00 0.00 N ATOM 1223 CA ASN A 81 6.844 -4.872 -8.657 1.00 0.00 C ATOM 1224 C ASN A 81 5.824 -5.746 -9.378 1.00 0.00 C ATOM 1225 O ASN A 81 5.722 -5.727 -10.605 1.00 0.00 O ATOM 1226 CB ASN A 81 8.139 -5.625 -8.416 1.00 0.00 C ATOM 1227 CG ASN A 81 9.317 -4.710 -8.175 1.00 0.00 C ATOM 1228 OD1 ASN A 81 9.406 -3.619 -8.740 1.00 0.00 O ATOM 1229 ND2 ASN A 81 10.229 -5.151 -7.322 1.00 0.00 N ATOM 0 H ASN A 81 6.618 -5.012 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 81 7.036 -4.010 -9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.015 -6.284 -7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.349 -6.260 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.047 -4.580 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.113 -6.062 -6.878 1.00 0.00 H new ATOM 1236 N THR A 82 5.069 -6.500 -8.597 1.00 0.00 N ATOM 1237 CA THR A 82 4.056 -7.395 -9.119 1.00 0.00 C ATOM 1238 C THR A 82 2.684 -6.718 -9.234 1.00 0.00 C ATOM 1239 O THR A 82 2.149 -6.581 -10.334 1.00 0.00 O ATOM 1240 CB THR A 82 3.967 -8.661 -8.241 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.070 -9.529 -8.529 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.649 -9.406 -8.439 1.00 0.00 C ATOM 0 H THR A 82 5.143 -6.507 -7.580 1.00 0.00 H new ATOM 0 HA THR A 82 4.355 -7.677 -10.129 1.00 0.00 H new ATOM 0 HB THR A 82 4.008 -8.344 -7.199 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.011 -10.331 -7.968 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.631 -10.290 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.818 -8.752 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.556 -9.709 -9.482 1.00 0.00 H new ATOM 1250 N LEU A 83 2.125 -6.281 -8.112 1.00 0.00 N ATOM 1251 CA LEU A 83 0.765 -5.768 -8.102 1.00 0.00 C ATOM 1252 C LEU A 83 0.674 -4.351 -8.644 1.00 0.00 C ATOM 1253 O LEU A 83 -0.139 -4.096 -9.517 1.00 0.00 O ATOM 1254 CB LEU A 83 0.195 -5.780 -6.693 1.00 0.00 C ATOM 1255 CG LEU A 83 0.090 -7.149 -6.022 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.457 -6.990 -4.618 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.797 -8.088 -6.823 1.00 0.00 C ATOM 0 H LEU A 83 2.590 -6.272 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 83 0.188 -6.427 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.814 -5.138 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.799 -5.335 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 83 1.088 -7.585 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.530 -7.968 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.211 -6.354 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.446 -6.533 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.852 -9.054 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.798 -7.663 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.378 -8.222 -7.820 1.00 0.00 H new ATOM 1269 N ASN A 84 1.518 -3.453 -8.122 1.00 0.00 N ATOM 1270 CA ASN A 84 1.416 -2.008 -8.382 1.00 0.00 C ATOM 1271 C ASN A 84 0.981 -1.701 -9.816 1.00 0.00 C ATOM 1272 O ASN A 84 1.721 -1.918 -10.775 1.00 0.00 O ATOM 1273 CB ASN A 84 2.744 -1.342 -8.033 1.00 0.00 C ATOM 1274 CG ASN A 84 2.801 0.136 -8.354 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.782 0.819 -8.382 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.006 0.637 -8.568 1.00 0.00 N ATOM 0 H ASN A 84 2.292 -3.705 -7.507 1.00 0.00 H new ATOM 0 HA ASN A 84 0.633 -1.596 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.938 -1.479 -6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.545 -1.850 -8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.117 1.631 -8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.824 0.029 -8.534 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.246 -1.200 -9.924 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.904 -1.041 -11.204 1.00 0.00 C ATOM 1285 C GLY A 85 -1.857 -2.187 -11.472 1.00 0.00 C ATOM 1286 O GLY A 85 -2.137 -2.517 -12.624 1.00 0.00 O ATOM 0 H GLY A 85 -0.805 -0.896 -9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.450 -0.098 -11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.158 -0.991 -11.997 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.361 -2.797 -10.401 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.248 -3.941 -10.529 1.00 0.00 C ATOM 1292 C LEU A 86 -4.678 -3.455 -10.658 1.00 0.00 C ATOM 1293 O LEU A 86 -5.080 -2.512 -9.974 1.00 0.00 O ATOM 1294 CB LEU A 86 -3.099 -4.851 -9.297 1.00 0.00 C ATOM 1295 CG LEU A 86 -3.281 -6.359 -9.532 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.704 -6.689 -9.944 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -2.297 -6.858 -10.577 1.00 0.00 C ATOM 0 H LEU A 86 -2.168 -2.516 -9.440 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.986 -4.513 -11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.109 -4.689 -8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.824 -4.533 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.080 -6.868 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.797 -7.763 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.392 -6.377 -9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.946 -6.164 -10.868 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.440 -7.928 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.465 -6.331 -11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.279 -6.674 -10.235 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.433 -4.078 -11.546 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.837 -3.759 -11.695 1.00 0.00 C ATOM 1311 C ARG A 87 -7.645 -4.398 -10.577 1.00 0.00 C ATOM 1312 O ARG A 87 -8.134 -5.520 -10.699 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.356 -4.215 -13.058 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.814 -3.390 -14.210 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.381 -1.982 -14.200 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.786 -1.147 -15.237 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.294 0.015 -15.644 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.442 0.460 -15.141 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.647 0.733 -16.551 1.00 0.00 N ATOM 0 H ARG A 87 -5.095 -4.807 -12.174 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.951 -2.677 -11.633 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.088 -5.260 -13.211 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.445 -4.161 -13.062 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.727 -3.346 -14.148 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.060 -3.876 -15.154 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.461 -2.025 -14.344 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.207 -1.528 -13.224 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.926 -1.473 -15.679 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.938 -0.089 -14.440 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.826 1.351 -15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.764 0.395 -16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.032 1.624 -16.866 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.766 -3.673 -9.486 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.594 -4.078 -8.375 1.00 0.00 C ATOM 1335 C LEU A 88 -9.993 -3.544 -8.570 1.00 0.00 C ATOM 1336 O LEU A 88 -10.206 -2.338 -8.509 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.022 -3.551 -7.069 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.327 -4.597 -6.212 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.660 -3.939 -5.023 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.335 -5.634 -5.750 1.00 0.00 C ATOM 0 H LEU A 88 -7.290 -2.782 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.620 -5.167 -8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.312 -2.755 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.829 -3.104 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.559 -5.093 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.166 -4.698 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.922 -3.217 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.411 -3.427 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.833 -6.382 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.115 -5.148 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.782 -6.118 -6.618 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.935 -4.435 -8.841 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.318 -4.038 -9.084 1.00 0.00 C ATOM 1354 C GLN A 89 -12.385 -3.008 -10.204 1.00 0.00 C ATOM 1355 O GLN A 89 -13.162 -2.051 -10.145 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.928 -3.472 -7.815 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.889 -4.441 -6.643 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.629 -3.921 -5.431 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.637 -2.613 -5.264 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.180 -4.691 -4.644 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.769 -5.440 -8.899 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.886 -4.918 -9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.398 -2.560 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.963 -3.192 -8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.324 -5.392 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.851 -4.637 -6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.150 -5.697 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.666 -4.323 -3.826 1.00 0.00 H new ATOM 1369 N SER A 90 -11.518 -3.211 -11.191 1.00 0.00 N ATOM 1370 CA SER A 90 -11.432 -2.366 -12.383 1.00 0.00 C ATOM 1371 C SER A 90 -10.678 -1.059 -12.116 1.00 0.00 C ATOM 1372 O SER A 90 -10.517 -0.229 -13.012 1.00 0.00 O ATOM 1373 CB SER A 90 -12.817 -2.105 -12.944 1.00 0.00 C ATOM 1374 OG SER A 90 -13.324 -3.248 -13.613 1.00 0.00 O ATOM 0 H SER A 90 -10.845 -3.977 -11.188 1.00 0.00 H new ATOM 0 HA SER A 90 -10.852 -2.907 -13.131 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.492 -1.824 -12.136 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.779 -1.263 -13.635 1.00 0.00 H new ATOM 0 HG SER A 90 -14.218 -3.052 -13.963 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.190 -0.899 -10.896 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.425 0.281 -10.511 1.00 0.00 C ATOM 1382 C LYS A 91 -7.953 -0.044 -10.485 1.00 0.00 C ATOM 1383 O LYS A 91 -7.543 -1.073 -9.963 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.893 0.762 -9.145 1.00 0.00 C ATOM 1385 CG LYS A 91 -9.098 1.860 -8.491 1.00 0.00 C ATOM 1386 CD LYS A 91 -8.979 3.057 -9.384 1.00 0.00 C ATOM 1387 CE LYS A 91 -8.563 4.265 -8.588 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.342 5.461 -9.444 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.311 -1.579 -10.146 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.586 1.075 -11.240 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.924 1.104 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.903 -0.095 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.576 2.149 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.103 1.491 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.249 2.862 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.933 3.248 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.330 4.489 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.647 4.039 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.057 6.266 -8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.592 5.259 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.222 5.696 -9.946 1.00 0.00 H new ATOM 1402 N THR A 92 -7.167 0.833 -11.051 1.00 0.00 N ATOM 1403 CA THR A 92 -5.731 0.615 -11.096 1.00 0.00 C ATOM 1404 C THR A 92 -5.073 1.243 -9.890 1.00 0.00 C ATOM 1405 O THR A 92 -5.088 2.458 -9.720 1.00 0.00 O ATOM 1406 CB THR A 92 -5.065 1.167 -12.360 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.053 1.480 -13.347 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.073 0.148 -12.915 1.00 0.00 C ATOM 0 H THR A 92 -7.485 1.699 -11.486 1.00 0.00 H new ATOM 0 HA THR A 92 -5.594 -0.466 -11.101 1.00 0.00 H new ATOM 0 HB THR A 92 -4.529 2.080 -12.103 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.614 1.833 -14.149 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.604 0.549 -13.814 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.307 -0.059 -12.167 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.598 -0.775 -13.161 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.484 0.395 -9.083 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.935 0.784 -7.803 1.00 0.00 C ATOM 1418 C ILE A 93 -2.456 1.148 -7.926 1.00 0.00 C ATOM 1419 O ILE A 93 -1.833 0.867 -8.947 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.163 -0.357 -6.778 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.492 -1.684 -7.223 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.674 -0.569 -6.618 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -1.990 -1.695 -7.201 1.00 0.00 C ATOM 0 H ILE A 93 -4.370 -0.596 -9.297 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.449 1.677 -7.448 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.708 -0.068 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.852 -2.486 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.824 -1.916 -8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.855 -1.369 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.135 0.352 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.107 -0.841 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.628 -2.669 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.611 -0.922 -7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.640 -1.501 -6.187 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.897 1.788 -6.908 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.468 2.066 -6.895 1.00 0.00 C ATOM 1437 C LYS A 94 0.105 1.769 -5.526 1.00 0.00 C ATOM 1438 O LYS A 94 -0.156 2.490 -4.565 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.158 3.515 -7.266 1.00 0.00 C ATOM 1440 CG LYS A 94 1.310 3.751 -7.537 1.00 0.00 C ATOM 1441 CD LYS A 94 1.551 5.157 -8.048 1.00 0.00 C ATOM 1442 CE LYS A 94 2.956 5.312 -8.600 1.00 0.00 C ATOM 1443 NZ LYS A 94 3.139 4.580 -9.879 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.405 2.121 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.009 1.421 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.734 3.790 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.483 4.169 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.882 3.590 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.669 3.028 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.825 5.393 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.395 5.871 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.169 6.370 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.675 4.946 -7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.008 4.910 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.214 3.560 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.324 4.757 -10.500 1.00 0.00 H new ATOM 1457 N VAL A 95 0.883 0.711 -5.436 1.00 0.00 N ATOM 1458 CA VAL A 95 1.432 0.298 -4.166 1.00 0.00 C ATOM 1459 C VAL A 95 2.884 0.754 -4.034 1.00 0.00 C ATOM 1460 O VAL A 95 3.628 0.821 -5.016 1.00 0.00 O ATOM 1461 CB VAL A 95 1.307 -1.227 -3.958 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.278 -1.836 -4.895 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.636 -1.908 -4.102 1.00 0.00 C ATOM 0 H VAL A 95 1.148 0.124 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 95 0.848 0.779 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 95 0.959 -1.387 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.217 -2.910 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.696 -1.383 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.573 -1.653 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.514 -2.980 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.032 -1.726 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.330 -1.513 -3.360 1.00 0.00 H new ATOM 1473 N SER A 96 3.256 1.090 -2.814 1.00 0.00 N ATOM 1474 CA SER A 96 4.575 1.591 -2.472 1.00 0.00 C ATOM 1475 C SER A 96 4.746 1.481 -0.970 1.00 0.00 C ATOM 1476 O SER A 96 3.779 1.261 -0.272 1.00 0.00 O ATOM 1477 CB SER A 96 4.708 3.050 -2.900 1.00 0.00 C ATOM 1478 OG SER A 96 4.604 3.176 -4.309 1.00 0.00 O ATOM 0 H SER A 96 2.632 1.020 -2.010 1.00 0.00 H new ATOM 0 HA SER A 96 5.341 1.009 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.932 3.646 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.667 3.445 -2.565 1.00 0.00 H new ATOM 0 HG SER A 96 4.593 2.285 -4.717 1.00 0.00 H new ATOM 1484 N TYR A 97 5.960 1.608 -0.467 1.00 0.00 N ATOM 1485 CA TYR A 97 6.174 1.599 0.983 1.00 0.00 C ATOM 1486 C TYR A 97 5.528 2.816 1.602 1.00 0.00 C ATOM 1487 O TYR A 97 5.776 3.945 1.171 1.00 0.00 O ATOM 1488 CB TYR A 97 7.656 1.608 1.325 1.00 0.00 C ATOM 1489 CG TYR A 97 8.497 0.903 0.309 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.484 -0.479 0.196 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.294 1.630 -0.548 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.253 -1.115 -0.757 1.00 0.00 C ATOM 1493 CE2 TYR A 97 10.061 1.018 -1.498 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.043 -0.359 -1.607 1.00 0.00 C ATOM 1495 OH TYR A 97 10.816 -0.978 -2.559 1.00 0.00 O ATOM 0 H TYR A 97 6.807 1.718 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 97 5.727 0.687 1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.995 2.640 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.801 1.138 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.866 -1.064 0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.313 2.707 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.239 -2.192 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.678 1.607 -2.160 1.00 0.00 H new ATOM 0 HH TYR A 97 11.307 -0.302 -3.071 1.00 0.00 H new ATOM 1505 N ALA A 98 4.690 2.589 2.592 1.00 0.00 N ATOM 1506 CA ALA A 98 4.127 3.682 3.343 1.00 0.00 C ATOM 1507 C ALA A 98 5.207 4.195 4.280 1.00 0.00 C ATOM 1508 O ALA A 98 5.938 3.389 4.850 1.00 0.00 O ATOM 1509 CB ALA A 98 2.890 3.236 4.120 1.00 0.00 C ATOM 0 H ALA A 98 4.388 1.662 2.891 1.00 0.00 H new ATOM 0 HA ALA A 98 3.802 4.476 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.486 4.081 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.137 2.867 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.163 2.441 4.814 1.00 0.00 H new