USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 616 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= -1.71! (180deg=-5.29!) USER MOD Single : A 25 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.5) USER MOD Single : A 33 SER OG : rot -28:sc= 0.54 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.816 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -55:sc= 1.2 USER MOD Single : A 57 SER OG : rot 160:sc= -1.01 USER MOD Single : A 62 SER OG : rot -70:sc= -0.853 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc=-0.00827 (180deg=-0.149) USER MOD Single : A 69 GLN : amide:sc= -0.359 K(o=-0.36,f=-3.1!) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.29 F(o=-3.5!,f=-0.29) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.3) USER MOD Single : A 83 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-0.92) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-3.3!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= -0.0145 (180deg=-0.258) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -5.748 11.828 5.256 1.00 0.00 N ATOM 272 CA GLU A 21 -5.514 10.493 4.719 1.00 0.00 C ATOM 273 C GLU A 21 -6.782 9.931 4.087 1.00 0.00 C ATOM 274 O GLU A 21 -7.879 10.443 4.309 1.00 0.00 O ATOM 275 CB GLU A 21 -5.022 9.555 5.824 1.00 0.00 C ATOM 276 CG GLU A 21 -3.904 10.144 6.669 1.00 0.00 C ATOM 277 CD GLU A 21 -4.391 10.631 8.020 1.00 0.00 C ATOM 278 OE1 GLU A 21 -5.579 11.003 8.125 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.584 10.641 8.974 1.00 0.00 O ATOM 0 HA GLU A 21 -4.748 10.568 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.860 9.300 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.674 8.626 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.129 9.392 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.445 10.974 6.131 1.00 0.00 H new ATOM 286 N LYS A 22 -6.625 8.874 3.296 1.00 0.00 N ATOM 287 CA LYS A 22 -7.757 8.241 2.631 1.00 0.00 C ATOM 288 C LYS A 22 -7.552 6.733 2.525 1.00 0.00 C ATOM 289 O LYS A 22 -6.694 6.265 1.777 1.00 0.00 O ATOM 290 CB LYS A 22 -7.956 8.840 1.238 1.00 0.00 C ATOM 291 CG LYS A 22 -9.317 8.535 0.632 1.00 0.00 C ATOM 292 CD LYS A 22 -9.630 9.463 -0.530 1.00 0.00 C ATOM 293 CE LYS A 22 -9.342 8.799 -1.867 1.00 0.00 C ATOM 294 NZ LYS A 22 -9.164 9.798 -2.956 1.00 0.00 N ATOM 0 H LYS A 22 -5.724 8.438 3.100 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.649 8.427 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.827 9.921 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.179 8.461 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.340 7.501 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.087 8.635 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.678 9.759 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.037 10.373 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.442 8.189 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.161 8.126 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.969 9.305 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.031 10.363 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.367 10.425 -2.725 1.00 0.00 H new ATOM 308 N LYS A 23 -8.345 5.979 3.278 1.00 0.00 N ATOM 309 CA LYS A 23 -8.251 4.524 3.269 1.00 0.00 C ATOM 310 C LYS A 23 -9.160 3.927 2.197 1.00 0.00 C ATOM 311 O LYS A 23 -10.340 4.267 2.111 1.00 0.00 O ATOM 312 CB LYS A 23 -8.620 3.960 4.643 1.00 0.00 C ATOM 313 CG LYS A 23 -7.637 2.920 5.157 1.00 0.00 C ATOM 314 CD LYS A 23 -7.459 3.018 6.663 1.00 0.00 C ATOM 315 CE LYS A 23 -6.381 2.068 7.160 1.00 0.00 C ATOM 316 NZ LYS A 23 -6.823 0.647 7.104 1.00 0.00 N ATOM 0 H LYS A 23 -9.060 6.351 3.903 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.221 4.251 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.677 4.779 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.613 3.514 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.991 1.923 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.673 3.055 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.197 4.041 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.403 2.789 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.482 2.192 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.115 2.325 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.963 0.289 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.718 0.582 6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.097 0.076 6.625 1.00 0.00 H new ATOM 330 N VAL A 24 -8.601 3.037 1.385 1.00 0.00 N ATOM 331 CA VAL A 24 -9.361 2.392 0.321 1.00 0.00 C ATOM 332 C VAL A 24 -9.021 0.909 0.224 1.00 0.00 C ATOM 333 O VAL A 24 -8.044 0.526 -0.419 1.00 0.00 O ATOM 334 CB VAL A 24 -9.094 3.057 -1.043 1.00 0.00 C ATOM 335 CG1 VAL A 24 -10.043 2.512 -2.099 1.00 0.00 C ATOM 336 CG2 VAL A 24 -9.217 4.569 -0.933 1.00 0.00 C ATOM 0 H VAL A 24 -7.625 2.746 1.443 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.415 2.505 0.573 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.075 2.820 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.839 2.994 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.899 1.436 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.072 2.715 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.025 5.021 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.223 4.829 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.491 4.941 -0.210 1.00 0.00 H new ATOM 346 N ASN A 25 -9.835 0.078 0.867 1.00 0.00 N ATOM 347 CA ASN A 25 -9.620 -1.365 0.854 1.00 0.00 C ATOM 348 C ASN A 25 -10.179 -1.986 -0.423 1.00 0.00 C ATOM 349 O ASN A 25 -11.235 -1.581 -0.911 1.00 0.00 O ATOM 350 CB ASN A 25 -10.274 -2.010 2.077 1.00 0.00 C ATOM 351 CG ASN A 25 -11.737 -1.635 2.216 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.078 -0.659 2.886 1.00 0.00 O ATOM 353 ND2 ASN A 25 -12.610 -2.409 1.584 1.00 0.00 N ATOM 0 H ASN A 25 -10.649 0.379 1.403 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.546 -1.548 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.185 -3.094 2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.737 -1.706 2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.608 -2.205 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.283 -3.208 1.040 1.00 0.00 H new ATOM 360 N LEU A 26 -9.464 -2.970 -0.958 1.00 0.00 N ATOM 361 CA LEU A 26 -9.888 -3.648 -2.178 1.00 0.00 C ATOM 362 C LEU A 26 -9.853 -5.162 -1.999 1.00 0.00 C ATOM 363 O LEU A 26 -8.800 -5.741 -1.731 1.00 0.00 O ATOM 364 CB LEU A 26 -8.993 -3.240 -3.350 1.00 0.00 C ATOM 365 CG LEU A 26 -9.167 -1.796 -3.824 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.254 -1.509 -5.005 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.618 -1.527 -4.192 1.00 0.00 C ATOM 0 H LEU A 26 -8.588 -3.316 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.914 -3.350 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.952 -3.389 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.191 -3.908 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.891 -1.130 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.391 -0.477 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.216 -1.661 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.499 -2.183 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.723 -0.495 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.921 -2.201 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.251 -1.692 -3.320 1.00 0.00 H new ATOM 379 N VAL A 27 -11.011 -5.797 -2.149 1.00 0.00 N ATOM 380 CA VAL A 27 -11.113 -7.245 -2.005 1.00 0.00 C ATOM 381 C VAL A 27 -10.923 -7.944 -3.346 1.00 0.00 C ATOM 382 O VAL A 27 -11.846 -8.016 -4.157 1.00 0.00 O ATOM 383 CB VAL A 27 -12.474 -7.657 -1.411 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.502 -9.150 -1.123 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.774 -6.858 -0.152 1.00 0.00 C ATOM 0 H VAL A 27 -11.892 -5.332 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.321 -7.552 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.249 -7.437 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.471 -9.422 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.339 -9.702 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.716 -9.398 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.739 -7.164 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.996 -7.041 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.802 -5.795 -0.393 1.00 0.00 H new ATOM 395 N LEU A 28 -9.719 -8.459 -3.573 1.00 0.00 N ATOM 396 CA LEU A 28 -9.407 -9.154 -4.817 1.00 0.00 C ATOM 397 C LEU A 28 -9.845 -10.613 -4.750 1.00 0.00 C ATOM 398 O LEU A 28 -9.668 -11.278 -3.729 1.00 0.00 O ATOM 399 CB LEU A 28 -7.907 -9.073 -5.109 1.00 0.00 C ATOM 400 CG LEU A 28 -7.343 -7.655 -5.212 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.866 -7.695 -5.579 1.00 0.00 C ATOM 402 CD2 LEU A 28 -8.127 -6.844 -6.233 1.00 0.00 C ATOM 0 H LEU A 28 -8.944 -8.408 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.954 -8.666 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.370 -9.605 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.705 -9.597 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.442 -7.171 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.481 -6.678 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.315 -8.240 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.743 -8.196 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.713 -5.838 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.059 -7.324 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.172 -6.788 -5.928 1.00 0.00 H new ATOM 464 N SER A 33 -6.218 -7.378 -9.879 1.00 0.00 N ATOM 465 CA SER A 33 -5.096 -6.474 -9.651 1.00 0.00 C ATOM 466 C SER A 33 -5.584 -5.048 -9.417 1.00 0.00 C ATOM 467 O SER A 33 -6.773 -4.758 -9.554 1.00 0.00 O ATOM 468 CB SER A 33 -4.137 -6.507 -10.842 1.00 0.00 C ATOM 469 OG SER A 33 -4.832 -6.754 -12.052 1.00 0.00 O ATOM 0 HA SER A 33 -4.568 -6.809 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.606 -5.557 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.386 -7.281 -10.686 1.00 0.00 H new ATOM 0 HG SER A 33 -5.639 -7.278 -11.865 1.00 0.00 H new ATOM 475 N LEU A 34 -4.660 -4.161 -9.064 1.00 0.00 N ATOM 476 CA LEU A 34 -4.996 -2.765 -8.812 1.00 0.00 C ATOM 477 C LEU A 34 -4.944 -1.951 -10.101 1.00 0.00 C ATOM 478 O LEU A 34 -5.711 -1.004 -10.280 1.00 0.00 O ATOM 479 CB LEU A 34 -4.039 -2.167 -7.779 1.00 0.00 C ATOM 480 CG LEU A 34 -4.123 -2.788 -6.383 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.807 -2.613 -5.641 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.268 -2.168 -5.595 1.00 0.00 C ATOM 0 H LEU A 34 -3.672 -4.384 -8.946 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.013 -2.727 -8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.019 -2.274 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.238 -1.098 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.316 -3.855 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.886 -3.061 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.008 -3.102 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.583 -1.551 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.315 -2.620 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.103 -1.095 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.208 -2.344 -6.119 1.00 0.00 H new ATOM 494 N GLY A 35 -4.036 -2.325 -10.996 1.00 0.00 N ATOM 495 CA GLY A 35 -3.901 -1.619 -12.256 1.00 0.00 C ATOM 496 C GLY A 35 -3.514 -0.166 -12.068 1.00 0.00 C ATOM 497 O GLY A 35 -3.908 0.696 -12.853 1.00 0.00 O ATOM 0 H GLY A 35 -3.391 -3.105 -10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.149 -2.116 -12.868 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.843 -1.673 -12.802 1.00 0.00 H new ATOM 501 N LEU A 36 -2.739 0.107 -11.023 1.00 0.00 N ATOM 502 CA LEU A 36 -2.297 1.467 -10.733 1.00 0.00 C ATOM 503 C LEU A 36 -0.817 1.638 -11.056 1.00 0.00 C ATOM 504 O LEU A 36 -0.044 0.681 -11.003 1.00 0.00 O ATOM 505 CB LEU A 36 -2.552 1.805 -9.263 1.00 0.00 C ATOM 506 CG LEU A 36 -3.949 2.346 -8.955 1.00 0.00 C ATOM 507 CD1 LEU A 36 -4.196 2.363 -7.455 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.122 3.738 -9.542 1.00 0.00 C ATOM 0 H LEU A 36 -2.404 -0.595 -10.363 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.869 2.150 -11.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.387 0.908 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.815 2.541 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.684 1.685 -9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.195 2.751 -7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.115 1.350 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.456 3.000 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.122 4.108 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.379 4.410 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.989 3.696 -10.623 1.00 0.00 H new ATOM 520 N THR A 37 -0.428 2.865 -11.392 1.00 0.00 N ATOM 521 CA THR A 37 0.961 3.162 -11.722 1.00 0.00 C ATOM 522 C THR A 37 1.624 3.967 -10.609 1.00 0.00 C ATOM 523 O THR A 37 1.370 5.161 -10.457 1.00 0.00 O ATOM 524 CB THR A 37 1.042 3.934 -13.039 1.00 0.00 C ATOM 525 OG1 THR A 37 0.154 3.386 -13.997 1.00 0.00 O ATOM 526 CG2 THR A 37 2.428 3.938 -13.646 1.00 0.00 C ATOM 0 H THR A 37 -1.055 3.668 -11.443 1.00 0.00 H new ATOM 0 HA THR A 37 1.491 2.216 -11.830 1.00 0.00 H new ATOM 0 HB THR A 37 0.770 4.960 -12.790 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.331 3.786 -14.874 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.415 4.503 -14.578 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.128 4.401 -12.951 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.740 2.913 -13.847 1.00 0.00 H new ATOM 534 N ILE A 38 2.475 3.302 -9.834 1.00 0.00 N ATOM 535 CA ILE A 38 3.175 3.956 -8.736 1.00 0.00 C ATOM 536 C ILE A 38 4.485 4.576 -9.211 1.00 0.00 C ATOM 537 O ILE A 38 4.893 4.388 -10.357 1.00 0.00 O ATOM 538 CB ILE A 38 3.472 2.970 -7.591 1.00 0.00 C ATOM 539 CG1 ILE A 38 4.299 1.790 -8.105 1.00 0.00 C ATOM 540 CG2 ILE A 38 2.176 2.482 -6.962 1.00 0.00 C ATOM 541 CD1 ILE A 38 5.102 1.098 -7.025 1.00 0.00 C ATOM 0 H ILE A 38 2.696 2.313 -9.946 1.00 0.00 H new ATOM 0 HA ILE A 38 2.517 4.742 -8.366 1.00 0.00 H new ATOM 0 HB ILE A 38 4.051 3.489 -6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.632 1.065 -8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.978 2.143 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.403 1.786 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.622 3.332 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.573 1.978 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.663 0.272 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.794 1.809 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.427 0.714 -6.260 1.00 0.00 H new ATOM 553 N ARG A 39 5.141 5.315 -8.322 1.00 0.00 N ATOM 554 CA ARG A 39 6.405 5.962 -8.650 1.00 0.00 C ATOM 555 C ARG A 39 7.315 6.030 -7.427 1.00 0.00 C ATOM 556 O ARG A 39 6.903 5.698 -6.315 1.00 0.00 O ATOM 557 CB ARG A 39 6.154 7.370 -9.196 1.00 0.00 C ATOM 558 CG ARG A 39 6.917 7.670 -10.477 1.00 0.00 C ATOM 559 CD ARG A 39 7.769 8.923 -10.343 1.00 0.00 C ATOM 560 NE ARG A 39 7.017 10.134 -10.667 1.00 0.00 N ATOM 561 CZ ARG A 39 7.444 11.366 -10.398 1.00 0.00 C ATOM 562 NH1 ARG A 39 8.614 11.554 -9.800 1.00 0.00 N ATOM 563 NH2 ARG A 39 6.699 12.411 -10.728 1.00 0.00 N ATOM 0 H ARG A 39 4.818 5.480 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 39 6.902 5.367 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.087 7.494 -9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.433 8.100 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.554 6.822 -10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.213 7.795 -11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.150 8.995 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.633 8.846 -11.002 1.00 0.00 H new ATOM 0 HE ARG A 39 6.112 10.029 -11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.191 10.752 -9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.936 12.500 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.799 12.271 -11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.025 13.355 -10.522 1.00 0.00 H new ATOM 577 N GLY A 40 8.554 6.462 -7.641 1.00 0.00 N ATOM 578 CA GLY A 40 9.502 6.566 -6.547 1.00 0.00 C ATOM 579 C GLY A 40 9.737 5.237 -5.854 1.00 0.00 C ATOM 580 O GLY A 40 8.985 4.283 -6.056 1.00 0.00 O ATOM 0 H GLY A 40 8.918 6.742 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.450 6.947 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.135 7.291 -5.820 1.00 0.00 H new ATOM 584 N GLY A 41 10.782 5.175 -5.036 1.00 0.00 N ATOM 585 CA GLY A 41 11.093 3.949 -4.323 1.00 0.00 C ATOM 586 C GLY A 41 12.072 4.169 -3.188 1.00 0.00 C ATOM 587 O GLY A 41 12.391 5.309 -2.846 1.00 0.00 O ATOM 0 H GLY A 41 11.419 5.951 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.173 3.520 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.509 3.222 -5.021 1.00 0.00 H new ATOM 591 N ALA A 42 12.549 3.077 -2.601 1.00 0.00 N ATOM 592 CA ALA A 42 13.498 3.155 -1.496 1.00 0.00 C ATOM 593 C ALA A 42 14.918 3.374 -2.006 1.00 0.00 C ATOM 594 O ALA A 42 15.623 4.269 -1.540 1.00 0.00 O ATOM 595 CB ALA A 42 13.427 1.891 -0.652 1.00 0.00 C ATOM 0 H ALA A 42 12.294 2.127 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 42 13.228 4.010 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.140 1.961 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.420 1.778 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.670 1.027 -1.270 1.00 0.00 H new ATOM 601 N GLU A 43 15.332 2.551 -2.965 1.00 0.00 N ATOM 602 CA GLU A 43 16.669 2.655 -3.539 1.00 0.00 C ATOM 603 C GLU A 43 16.903 4.046 -4.122 1.00 0.00 C ATOM 604 O GLU A 43 18.021 4.561 -4.094 1.00 0.00 O ATOM 605 CB GLU A 43 16.864 1.595 -4.624 1.00 0.00 C ATOM 606 CG GLU A 43 18.289 1.075 -4.716 1.00 0.00 C ATOM 607 CD GLU A 43 18.523 0.235 -5.956 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.891 0.809 -7.003 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.338 -0.999 -5.881 1.00 0.00 O ATOM 0 H GLU A 43 14.760 1.805 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 43 17.394 2.487 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.193 0.759 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.577 2.016 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.980 1.918 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.513 0.480 -3.831 1.00 0.00 H new ATOM 616 N TYR A 44 15.842 4.646 -4.648 1.00 0.00 N ATOM 617 CA TYR A 44 15.929 5.977 -5.238 1.00 0.00 C ATOM 618 C TYR A 44 15.791 7.058 -4.170 1.00 0.00 C ATOM 619 O TYR A 44 16.280 8.175 -4.337 1.00 0.00 O ATOM 620 CB TYR A 44 14.845 6.156 -6.302 1.00 0.00 C ATOM 621 CG TYR A 44 14.835 5.064 -7.347 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.695 5.110 -8.437 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.967 3.985 -7.243 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.688 4.114 -9.394 1.00 0.00 C ATOM 625 CE2 TYR A 44 13.955 2.983 -8.194 1.00 0.00 C ATOM 626 CZ TYR A 44 14.817 3.052 -9.267 1.00 0.00 C ATOM 627 OH TYR A 44 14.808 2.057 -10.218 1.00 0.00 O ATOM 0 H TYR A 44 14.910 4.232 -4.678 1.00 0.00 H new ATOM 0 HA TYR A 44 16.909 6.076 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.871 6.189 -5.814 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.987 7.118 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.381 5.938 -8.538 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.289 3.928 -6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.361 4.166 -10.237 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.274 2.150 -8.097 1.00 0.00 H new ATOM 0 HH TYR A 44 14.138 1.383 -9.980 1.00 0.00 H new ATOM 637 N GLY A 45 15.120 6.720 -3.073 1.00 0.00 N ATOM 638 CA GLY A 45 14.929 7.674 -1.997 1.00 0.00 C ATOM 639 C GLY A 45 13.683 8.517 -2.189 1.00 0.00 C ATOM 640 O GLY A 45 13.613 9.650 -1.715 1.00 0.00 O ATOM 0 H GLY A 45 14.705 5.802 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.861 7.140 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.800 8.326 -1.934 1.00 0.00 H new ATOM 644 N LEU A 46 12.699 7.961 -2.889 1.00 0.00 N ATOM 645 CA LEU A 46 11.450 8.666 -3.145 1.00 0.00 C ATOM 646 C LEU A 46 10.259 7.875 -2.615 1.00 0.00 C ATOM 647 O LEU A 46 10.314 6.650 -2.504 1.00 0.00 O ATOM 648 CB LEU A 46 11.282 8.918 -4.645 1.00 0.00 C ATOM 649 CG LEU A 46 10.097 9.807 -5.023 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.324 11.232 -4.542 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.871 9.780 -6.527 1.00 0.00 C ATOM 0 H LEU A 46 12.744 7.024 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 46 11.488 9.622 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.195 9.375 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.172 7.958 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 46 9.204 9.418 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.470 11.850 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.437 11.236 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.227 11.632 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.024 10.418 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.764 10.144 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.663 8.758 -6.845 1.00 0.00 H new ATOM 663 N GLY A 47 9.183 8.582 -2.288 1.00 0.00 N ATOM 664 CA GLY A 47 7.994 7.928 -1.773 1.00 0.00 C ATOM 665 C GLY A 47 7.296 7.084 -2.822 1.00 0.00 C ATOM 666 O GLY A 47 7.862 6.801 -3.878 1.00 0.00 O ATOM 0 H GLY A 47 9.113 9.596 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.267 7.298 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.302 8.682 -1.398 1.00 0.00 H new ATOM 670 N ILE A 48 6.063 6.681 -2.529 1.00 0.00 N ATOM 671 CA ILE A 48 5.286 5.865 -3.455 1.00 0.00 C ATOM 672 C ILE A 48 4.054 6.615 -3.947 1.00 0.00 C ATOM 673 O ILE A 48 2.949 6.417 -3.439 1.00 0.00 O ATOM 674 CB ILE A 48 4.843 4.542 -2.799 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.036 3.850 -2.137 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.199 3.629 -3.832 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.103 3.415 -3.118 1.00 0.00 C ATOM 0 H ILE A 48 5.581 6.906 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 48 5.933 5.642 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 48 4.105 4.765 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.479 4.527 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.681 2.978 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.891 2.699 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.327 4.123 -4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.917 3.411 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.918 2.932 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.675 2.713 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.486 4.286 -3.649 1.00 0.00 H new ATOM 689 N TYR A 49 4.249 7.476 -4.939 1.00 0.00 N ATOM 690 CA TYR A 49 3.153 8.257 -5.503 1.00 0.00 C ATOM 691 C TYR A 49 2.408 7.459 -6.567 1.00 0.00 C ATOM 692 O TYR A 49 2.695 6.283 -6.788 1.00 0.00 O ATOM 693 CB TYR A 49 3.684 9.559 -6.104 1.00 0.00 C ATOM 694 CG TYR A 49 4.577 10.340 -5.167 1.00 0.00 C ATOM 695 CD1 TYR A 49 4.038 11.148 -4.173 1.00 0.00 C ATOM 696 CD2 TYR A 49 5.961 10.270 -5.278 1.00 0.00 C ATOM 697 CE1 TYR A 49 4.852 11.863 -3.316 1.00 0.00 C ATOM 698 CE2 TYR A 49 6.781 10.983 -4.424 1.00 0.00 C ATOM 699 CZ TYR A 49 6.222 11.777 -3.445 1.00 0.00 C ATOM 700 OH TYR A 49 7.037 12.488 -2.594 1.00 0.00 O ATOM 0 H TYR A 49 5.157 7.652 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 49 2.457 8.494 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.239 9.329 -7.014 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.841 10.185 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.965 11.218 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.402 9.649 -6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.417 12.486 -2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.855 10.919 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 49 7.975 12.315 -2.819 1.00 0.00 H new ATOM 710 N ILE A 50 1.453 8.108 -7.225 1.00 0.00 N ATOM 711 CA ILE A 50 0.666 7.462 -8.268 1.00 0.00 C ATOM 712 C ILE A 50 0.456 8.400 -9.452 1.00 0.00 C ATOM 713 O ILE A 50 0.022 9.539 -9.282 1.00 0.00 O ATOM 714 CB ILE A 50 -0.706 7.006 -7.738 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.545 6.269 -6.406 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.403 6.119 -8.758 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.850 6.054 -5.672 1.00 0.00 C ATOM 0 H ILE A 50 1.205 9.083 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 50 1.228 6.586 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.324 7.889 -7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.077 5.302 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.133 6.835 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.371 5.806 -8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.548 6.675 -9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.790 5.240 -8.955 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.659 5.526 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.310 7.019 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.523 5.462 -6.292 1.00 0.00 H new ATOM 729 N THR A 51 0.771 7.918 -10.650 1.00 0.00 N ATOM 730 CA THR A 51 0.617 8.723 -11.857 1.00 0.00 C ATOM 731 C THR A 51 0.013 7.905 -12.994 1.00 0.00 C ATOM 732 O THR A 51 0.306 8.143 -14.166 1.00 0.00 O ATOM 733 CB THR A 51 1.970 9.293 -12.288 1.00 0.00 C ATOM 734 OG1 THR A 51 1.853 9.985 -13.519 1.00 0.00 O ATOM 735 CG2 THR A 51 3.039 8.235 -12.456 1.00 0.00 C ATOM 0 H THR A 51 1.133 6.978 -10.811 1.00 0.00 H new ATOM 0 HA THR A 51 -0.064 9.543 -11.628 1.00 0.00 H new ATOM 0 HB THR A 51 2.270 9.965 -11.484 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.464 9.390 -14.193 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.973 8.707 -12.762 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.188 7.715 -11.510 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.727 7.520 -13.217 1.00 0.00 H new ATOM 743 N GLY A 52 -0.836 6.944 -12.644 1.00 0.00 N ATOM 744 CA GLY A 52 -1.467 6.113 -13.653 1.00 0.00 C ATOM 745 C GLY A 52 -2.640 5.321 -13.107 1.00 0.00 C ATOM 746 O GLY A 52 -2.596 4.831 -11.979 1.00 0.00 O ATOM 0 H GLY A 52 -1.098 6.726 -11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.809 6.742 -14.474 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.729 5.425 -14.065 1.00 0.00 H new ATOM 750 N VAL A 53 -3.690 5.197 -13.913 1.00 0.00 N ATOM 751 CA VAL A 53 -4.882 4.460 -13.510 1.00 0.00 C ATOM 752 C VAL A 53 -5.495 3.725 -14.697 1.00 0.00 C ATOM 753 O VAL A 53 -5.939 4.346 -15.662 1.00 0.00 O ATOM 754 CB VAL A 53 -5.942 5.395 -12.897 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.089 4.589 -12.309 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.314 6.292 -11.840 1.00 0.00 C ATOM 0 H VAL A 53 -3.739 5.598 -14.850 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.569 3.737 -12.757 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.343 6.029 -13.688 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.828 5.266 -11.881 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.555 3.993 -13.094 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.708 3.929 -11.530 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.077 6.946 -11.418 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.885 5.677 -11.049 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.530 6.897 -12.295 1.00 0.00 H new ATOM 766 N ASP A 54 -5.517 2.398 -14.618 1.00 0.00 N ATOM 767 CA ASP A 54 -6.075 1.579 -15.688 1.00 0.00 C ATOM 768 C ASP A 54 -7.548 1.912 -15.918 1.00 0.00 C ATOM 769 O ASP A 54 -8.274 2.232 -14.976 1.00 0.00 O ATOM 770 CB ASP A 54 -5.922 0.095 -15.353 1.00 0.00 C ATOM 771 CG ASP A 54 -4.612 -0.480 -15.857 1.00 0.00 C ATOM 772 OD1 ASP A 54 -4.282 -0.258 -17.040 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.917 -1.153 -15.067 1.00 0.00 O ATOM 0 H ASP A 54 -5.155 1.868 -13.825 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.525 1.797 -16.604 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.983 -0.039 -14.273 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.752 -0.461 -15.790 1.00 0.00 H new ATOM 778 N PRO A 55 -8.010 1.842 -17.179 1.00 0.00 N ATOM 779 CA PRO A 55 -9.400 2.138 -17.528 1.00 0.00 C ATOM 780 C PRO A 55 -10.348 0.981 -17.220 1.00 0.00 C ATOM 781 O PRO A 55 -11.547 1.064 -17.486 1.00 0.00 O ATOM 782 CB PRO A 55 -9.328 2.384 -19.032 1.00 0.00 C ATOM 783 CG PRO A 55 -8.205 1.522 -19.497 1.00 0.00 C ATOM 784 CD PRO A 55 -7.211 1.471 -18.365 1.00 0.00 C ATOM 0 HA PRO A 55 -9.795 2.977 -16.955 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.264 2.117 -19.523 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.140 3.435 -19.254 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.560 0.522 -19.747 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.748 1.932 -20.397 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.775 0.477 -18.259 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.386 2.165 -18.525 1.00 0.00 H new ATOM 792 N GLY A 56 -9.806 -0.098 -16.662 1.00 0.00 N ATOM 793 CA GLY A 56 -10.623 -1.250 -16.332 1.00 0.00 C ATOM 794 C GLY A 56 -10.084 -2.024 -15.145 1.00 0.00 C ATOM 795 O GLY A 56 -10.082 -3.255 -15.146 1.00 0.00 O ATOM 0 H GLY A 56 -8.817 -0.194 -16.433 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.639 -0.920 -16.115 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.680 -1.911 -17.197 1.00 0.00 H new ATOM 799 N SER A 57 -9.623 -1.300 -14.131 1.00 0.00 N ATOM 800 CA SER A 57 -9.077 -1.924 -12.932 1.00 0.00 C ATOM 801 C SER A 57 -10.039 -1.781 -11.756 1.00 0.00 C ATOM 802 O SER A 57 -11.132 -1.231 -11.900 1.00 0.00 O ATOM 803 CB SER A 57 -7.726 -1.302 -12.576 1.00 0.00 C ATOM 804 OG SER A 57 -7.708 0.082 -12.876 1.00 0.00 O ATOM 0 H SER A 57 -9.617 -0.280 -14.116 1.00 0.00 H new ATOM 0 HA SER A 57 -8.938 -2.985 -13.139 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.522 -1.450 -11.516 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.933 -1.807 -13.127 1.00 0.00 H new ATOM 0 HG SER A 57 -6.994 0.518 -12.366 1.00 0.00 H new ATOM 810 N GLU A 58 -9.626 -2.279 -10.595 1.00 0.00 N ATOM 811 CA GLU A 58 -10.451 -2.207 -9.396 1.00 0.00 C ATOM 812 C GLU A 58 -10.289 -0.858 -8.703 1.00 0.00 C ATOM 813 O GLU A 58 -11.217 -0.362 -8.063 1.00 0.00 O ATOM 814 CB GLU A 58 -10.084 -3.335 -8.430 1.00 0.00 C ATOM 815 CG GLU A 58 -10.912 -4.595 -8.622 1.00 0.00 C ATOM 816 CD GLU A 58 -12.326 -4.449 -8.093 1.00 0.00 C ATOM 817 OE1 GLU A 58 -13.063 -3.578 -8.602 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.695 -5.204 -7.171 1.00 0.00 O ATOM 0 H GLU A 58 -8.725 -2.737 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.493 -2.319 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.030 -3.581 -8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.209 -2.981 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.949 -4.843 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.423 -5.428 -8.116 1.00 0.00 H new ATOM 825 N ALA A 59 -9.106 -0.267 -8.836 1.00 0.00 N ATOM 826 CA ALA A 59 -8.824 1.026 -8.223 1.00 0.00 C ATOM 827 C ALA A 59 -9.659 2.130 -8.861 1.00 0.00 C ATOM 828 O ALA A 59 -10.088 3.066 -8.188 1.00 0.00 O ATOM 829 CB ALA A 59 -7.342 1.349 -8.334 1.00 0.00 C ATOM 0 H ALA A 59 -8.327 -0.663 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.094 0.968 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.145 2.317 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.763 0.579 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.055 1.383 -9.385 1.00 0.00 H new ATOM 835 N GLU A 60 -9.886 2.012 -10.166 1.00 0.00 N ATOM 836 CA GLU A 60 -10.669 3.000 -10.898 1.00 0.00 C ATOM 837 C GLU A 60 -12.109 3.034 -10.394 1.00 0.00 C ATOM 838 O GLU A 60 -12.706 4.102 -10.264 1.00 0.00 O ATOM 839 CB GLU A 60 -10.648 2.690 -12.396 1.00 0.00 C ATOM 840 CG GLU A 60 -11.215 3.807 -13.255 1.00 0.00 C ATOM 841 CD GLU A 60 -10.135 4.666 -13.884 1.00 0.00 C ATOM 842 OE1 GLU A 60 -9.640 5.588 -13.203 1.00 0.00 O ATOM 843 OE2 GLU A 60 -9.785 4.415 -15.057 1.00 0.00 O ATOM 0 H GLU A 60 -9.539 1.242 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.221 3.979 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.621 2.492 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.217 1.778 -12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.835 3.376 -14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.864 4.435 -12.645 1.00 0.00 H new ATOM 850 N GLY A 61 -12.661 1.858 -10.115 1.00 0.00 N ATOM 851 CA GLY A 61 -14.026 1.775 -9.630 1.00 0.00 C ATOM 852 C GLY A 61 -14.149 2.161 -8.169 1.00 0.00 C ATOM 853 O GLY A 61 -15.194 2.644 -7.733 1.00 0.00 O ATOM 0 H GLY A 61 -12.187 0.960 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.661 2.427 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.395 0.758 -9.766 1.00 0.00 H new ATOM 857 N SER A 62 -13.079 1.947 -7.410 1.00 0.00 N ATOM 858 CA SER A 62 -13.071 2.275 -5.989 1.00 0.00 C ATOM 859 C SER A 62 -13.100 3.786 -5.779 1.00 0.00 C ATOM 860 O SER A 62 -14.015 4.318 -5.149 1.00 0.00 O ATOM 861 CB SER A 62 -11.835 1.679 -5.313 1.00 0.00 C ATOM 862 OG SER A 62 -12.156 1.152 -4.038 1.00 0.00 O ATOM 0 H SER A 62 -12.206 1.548 -7.755 1.00 0.00 H new ATOM 0 HA SER A 62 -13.966 1.846 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.417 0.892 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.067 2.446 -5.210 1.00 0.00 H new ATOM 0 HG SER A 62 -12.356 1.887 -3.421 1.00 0.00 H new ATOM 868 N GLY A 63 -12.094 4.471 -6.311 1.00 0.00 N ATOM 869 CA GLY A 63 -12.022 5.914 -6.169 1.00 0.00 C ATOM 870 C GLY A 63 -10.601 6.408 -5.985 1.00 0.00 C ATOM 871 O GLY A 63 -10.319 7.179 -5.069 1.00 0.00 O ATOM 0 H GLY A 63 -11.327 4.053 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.456 6.385 -7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.624 6.222 -5.314 1.00 0.00 H new ATOM 875 N LEU A 64 -9.704 5.963 -6.859 1.00 0.00 N ATOM 876 CA LEU A 64 -8.304 6.363 -6.789 1.00 0.00 C ATOM 877 C LEU A 64 -7.873 7.061 -8.075 1.00 0.00 C ATOM 878 O LEU A 64 -8.235 6.640 -9.173 1.00 0.00 O ATOM 879 CB LEU A 64 -7.416 5.143 -6.535 1.00 0.00 C ATOM 880 CG LEU A 64 -7.540 4.531 -5.137 1.00 0.00 C ATOM 881 CD1 LEU A 64 -7.587 3.014 -5.219 1.00 0.00 C ATOM 882 CD2 LEU A 64 -6.387 4.985 -4.254 1.00 0.00 C ATOM 0 H LEU A 64 -9.922 5.325 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.193 7.064 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.657 4.378 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.377 5.428 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.472 4.877 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.675 2.598 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.447 2.708 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.673 2.646 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.490 4.541 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.443 4.668 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.401 6.071 -4.168 1.00 0.00 H new ATOM 894 N LYS A 65 -7.096 8.131 -7.931 1.00 0.00 N ATOM 895 CA LYS A 65 -6.615 8.887 -9.081 1.00 0.00 C ATOM 896 C LYS A 65 -5.123 9.175 -8.957 1.00 0.00 C ATOM 897 O LYS A 65 -4.474 8.746 -8.003 1.00 0.00 O ATOM 898 CB LYS A 65 -7.391 10.199 -9.215 1.00 0.00 C ATOM 899 CG LYS A 65 -8.878 10.005 -9.458 1.00 0.00 C ATOM 900 CD LYS A 65 -9.673 10.116 -8.167 1.00 0.00 C ATOM 901 CE LYS A 65 -11.157 10.301 -8.440 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.461 11.659 -8.971 1.00 0.00 N ATOM 0 H LYS A 65 -6.787 8.493 -7.029 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.777 8.284 -9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.254 10.787 -8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.970 10.778 -10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.232 10.751 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.049 9.028 -9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.522 9.219 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.302 10.957 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.491 9.549 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.718 10.137 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.484 11.837 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.949 12.372 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.163 11.718 -9.966 1.00 0.00 H new ATOM 916 N VAL A 66 -4.584 9.904 -9.930 1.00 0.00 N ATOM 917 CA VAL A 66 -3.168 10.250 -9.930 1.00 0.00 C ATOM 918 C VAL A 66 -2.880 11.389 -8.958 1.00 0.00 C ATOM 919 O VAL A 66 -3.774 12.159 -8.607 1.00 0.00 O ATOM 920 CB VAL A 66 -2.689 10.658 -11.336 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.623 9.445 -12.252 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.600 11.727 -11.921 1.00 0.00 C ATOM 0 H VAL A 66 -5.107 10.266 -10.728 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.626 9.359 -9.613 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.685 11.075 -11.251 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.283 9.754 -13.240 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.926 8.715 -11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.613 8.996 -12.333 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.246 12.003 -12.914 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.616 11.340 -11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.591 12.606 -11.276 1.00 0.00 H new ATOM 932 N GLY A 67 -1.627 11.491 -8.528 1.00 0.00 N ATOM 933 CA GLY A 67 -1.244 12.538 -7.601 1.00 0.00 C ATOM 934 C GLY A 67 -1.244 12.067 -6.160 1.00 0.00 C ATOM 935 O GLY A 67 -0.497 12.585 -5.330 1.00 0.00 O ATOM 0 H GLY A 67 -0.870 10.866 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.250 12.903 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.929 13.379 -7.705 1.00 0.00 H new ATOM 939 N ASP A 68 -2.084 11.082 -5.862 1.00 0.00 N ATOM 940 CA ASP A 68 -2.180 10.541 -4.510 1.00 0.00 C ATOM 941 C ASP A 68 -0.887 9.835 -4.115 1.00 0.00 C ATOM 942 O ASP A 68 -0.261 9.160 -4.932 1.00 0.00 O ATOM 943 CB ASP A 68 -3.357 9.569 -4.410 1.00 0.00 C ATOM 944 CG ASP A 68 -4.620 10.242 -3.909 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.508 11.285 -3.231 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.721 9.726 -4.195 1.00 0.00 O ATOM 0 H ASP A 68 -2.708 10.642 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.344 11.371 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.546 9.130 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.094 8.751 -3.739 1.00 0.00 H new ATOM 951 N GLN A 69 -0.493 9.995 -2.856 1.00 0.00 N ATOM 952 CA GLN A 69 0.727 9.373 -2.351 1.00 0.00 C ATOM 953 C GLN A 69 0.400 8.268 -1.352 1.00 0.00 C ATOM 954 O GLN A 69 -0.169 8.524 -0.290 1.00 0.00 O ATOM 955 CB GLN A 69 1.623 10.422 -1.691 1.00 0.00 C ATOM 956 CG GLN A 69 2.944 9.863 -1.187 1.00 0.00 C ATOM 957 CD GLN A 69 3.285 10.342 0.210 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.411 10.774 0.962 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.562 10.266 0.567 1.00 0.00 N ATOM 0 H GLN A 69 -1.000 10.550 -2.166 1.00 0.00 H new ATOM 0 HA GLN A 69 1.256 8.931 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.825 11.218 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.086 10.873 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.899 8.774 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.742 10.153 -1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.254 9.901 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.851 10.572 1.496 1.00 0.00 H new ATOM 968 N ILE A 70 0.763 7.038 -1.698 1.00 0.00 N ATOM 969 CA ILE A 70 0.509 5.893 -0.832 1.00 0.00 C ATOM 970 C ILE A 70 1.368 5.958 0.428 1.00 0.00 C ATOM 971 O ILE A 70 2.593 5.861 0.362 1.00 0.00 O ATOM 972 CB ILE A 70 0.784 4.562 -1.560 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.031 4.519 -2.892 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.385 3.384 -0.684 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.467 3.386 -3.795 1.00 0.00 C ATOM 0 H ILE A 70 1.234 6.808 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.544 5.934 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 70 1.853 4.492 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.037 4.425 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.176 5.465 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.586 2.453 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.961 3.407 0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.678 3.447 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.108 3.416 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.528 3.490 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.296 2.434 -3.293 1.00 0.00 H new ATOM 987 N LEU A 71 0.715 6.124 1.574 1.00 0.00 N ATOM 988 CA LEU A 71 1.419 6.204 2.849 1.00 0.00 C ATOM 989 C LEU A 71 1.740 4.811 3.381 1.00 0.00 C ATOM 990 O LEU A 71 2.848 4.556 3.853 1.00 0.00 O ATOM 991 CB LEU A 71 0.579 6.971 3.872 1.00 0.00 C ATOM 992 CG LEU A 71 0.328 8.441 3.531 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.628 9.067 4.535 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.641 9.210 3.492 1.00 0.00 C ATOM 0 H LEU A 71 -0.299 6.206 1.646 1.00 0.00 H new ATOM 0 HA LEU A 71 2.356 6.736 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.383 6.469 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.076 6.918 4.841 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.131 8.492 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.794 10.113 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.578 8.533 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.198 9.005 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.444 10.254 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.127 9.150 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.294 8.777 2.734 1.00 0.00 H new ATOM 1006 N GLU A 72 0.763 3.913 3.301 1.00 0.00 N ATOM 1007 CA GLU A 72 0.942 2.545 3.776 1.00 0.00 C ATOM 1008 C GLU A 72 -0.099 1.615 3.163 1.00 0.00 C ATOM 1009 O GLU A 72 -1.154 2.061 2.710 1.00 0.00 O ATOM 1010 CB GLU A 72 0.852 2.497 5.302 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.494 2.948 5.846 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.393 4.204 6.688 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.523 5.016 6.435 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.228 4.377 7.600 1.00 0.00 O ATOM 0 H GLU A 72 -0.160 4.107 2.912 1.00 0.00 H new ATOM 0 HA GLU A 72 1.931 2.206 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.047 1.478 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.635 3.127 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.176 3.127 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.926 2.147 6.446 1.00 0.00 H new ATOM 1021 N VAL A 73 0.203 0.320 3.153 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.708 -0.673 2.597 1.00 0.00 C ATOM 1023 C VAL A 73 -0.640 -1.980 3.380 1.00 0.00 C ATOM 1024 O VAL A 73 0.442 -2.518 3.616 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.392 -0.957 1.117 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.468 -1.838 0.500 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.248 0.343 0.341 1.00 0.00 C ATOM 0 H VAL A 73 1.072 -0.065 3.524 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.713 -0.259 2.673 1.00 0.00 H new ATOM 0 HB VAL A 73 0.557 -1.491 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.227 -2.028 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.516 -2.784 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.432 -1.334 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.025 0.121 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.179 0.908 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.563 0.934 0.768 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.803 -2.485 3.780 1.00 0.00 N ATOM 1038 CA ASN A 74 -1.875 -3.729 4.536 1.00 0.00 C ATOM 1039 C ASN A 74 -1.116 -3.611 5.854 1.00 0.00 C ATOM 1040 O ASN A 74 -0.577 -4.594 6.362 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.310 -4.887 3.711 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.219 -5.274 2.562 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -1.840 -4.883 1.350 1.00 0.00 O flip ATOM 1044 ND2 ASN A 74 -3.249 -5.917 2.760 1.00 0.00 N flip ATOM 0 H ASN A 74 -2.707 -2.052 3.593 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.923 -3.928 4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.332 -4.607 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.159 -5.751 4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.501 -6.197 3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.850 -6.171 1.976 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.077 -2.401 6.403 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.382 -2.177 7.656 1.00 0.00 C ATOM 1053 C GLY A 75 1.125 -2.183 7.494 1.00 0.00 C ATOM 1054 O GLY A 75 1.855 -2.520 8.426 1.00 0.00 O ATOM 0 H GLY A 75 -1.515 -1.572 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.695 -1.221 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.670 -2.948 8.370 1.00 0.00 H new ATOM 1058 N ARG A 76 1.593 -1.807 6.307 1.00 0.00 N ATOM 1059 CA ARG A 76 3.023 -1.769 6.026 1.00 0.00 C ATOM 1060 C ARG A 76 3.453 -0.376 5.576 1.00 0.00 C ATOM 1061 O ARG A 76 2.745 0.287 4.819 1.00 0.00 O ATOM 1062 CB ARG A 76 3.382 -2.799 4.953 1.00 0.00 C ATOM 1063 CG ARG A 76 4.862 -2.821 4.599 1.00 0.00 C ATOM 1064 CD ARG A 76 5.388 -4.242 4.465 1.00 0.00 C ATOM 1065 NE ARG A 76 6.667 -4.417 5.148 1.00 0.00 N ATOM 1066 CZ ARG A 76 7.512 -5.413 4.895 1.00 0.00 C ATOM 1067 NH1 ARG A 76 7.218 -6.326 3.978 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.655 -5.498 5.562 1.00 0.00 N ATOM 0 H ARG A 76 1.002 -1.525 5.525 1.00 0.00 H new ATOM 0 HA ARG A 76 3.555 -2.014 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.085 -3.789 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.805 -2.589 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.020 -2.285 3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.428 -2.295 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.658 -4.939 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.504 -4.488 3.409 1.00 0.00 H new ATOM 0 HE ARG A 76 6.928 -3.736 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.340 -6.267 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.870 -7.087 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.886 -4.800 6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.303 -6.262 5.368 1.00 0.00 H new ATOM 1082 N SER A 77 4.617 0.059 6.046 1.00 0.00 N ATOM 1083 CA SER A 77 5.141 1.373 5.692 1.00 0.00 C ATOM 1084 C SER A 77 5.626 1.394 4.246 1.00 0.00 C ATOM 1085 O SER A 77 6.573 0.694 3.888 1.00 0.00 O ATOM 1086 CB SER A 77 6.284 1.760 6.631 1.00 0.00 C ATOM 1087 OG SER A 77 6.648 3.118 6.461 1.00 0.00 O ATOM 0 H SER A 77 5.215 -0.479 6.673 1.00 0.00 H new ATOM 0 HA SER A 77 4.334 2.098 5.796 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.983 1.588 7.664 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.147 1.123 6.440 1.00 0.00 H new ATOM 0 HG SER A 77 7.380 3.340 7.074 1.00 0.00 H new ATOM 1093 N PHE A 78 4.970 2.202 3.419 1.00 0.00 N ATOM 1094 CA PHE A 78 5.335 2.313 2.011 1.00 0.00 C ATOM 1095 C PHE A 78 6.172 3.564 1.764 1.00 0.00 C ATOM 1096 O PHE A 78 6.020 4.235 0.743 1.00 0.00 O ATOM 1097 CB PHE A 78 4.078 2.344 1.139 1.00 0.00 C ATOM 1098 CG PHE A 78 3.617 0.982 0.705 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.464 -0.040 1.628 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.335 0.724 -0.627 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.040 -1.294 1.232 1.00 0.00 C ATOM 1102 CE2 PHE A 78 2.910 -0.528 -1.030 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.763 -1.538 -0.100 1.00 0.00 C ATOM 0 H PHE A 78 4.184 2.789 3.699 1.00 0.00 H new ATOM 0 HA PHE A 78 5.932 1.441 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.275 2.832 1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.273 2.952 0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.679 0.146 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.449 1.510 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.925 -2.082 1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.693 -0.716 -2.071 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.432 -2.517 -0.413 1.00 0.00 H new ATOM 1113 N LEU A 79 7.057 3.872 2.706 1.00 0.00 N ATOM 1114 CA LEU A 79 7.920 5.042 2.591 1.00 0.00 C ATOM 1115 C LEU A 79 9.352 4.632 2.262 1.00 0.00 C ATOM 1116 O LEU A 79 10.063 5.341 1.551 1.00 0.00 O ATOM 1117 CB LEU A 79 7.894 5.851 3.890 1.00 0.00 C ATOM 1118 CG LEU A 79 6.515 6.367 4.303 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.561 6.948 5.707 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.018 7.407 3.310 1.00 0.00 C ATOM 0 H LEU A 79 7.196 3.328 3.558 1.00 0.00 H new ATOM 0 HA LEU A 79 7.543 5.662 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.289 5.231 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.567 6.702 3.784 1.00 0.00 H new ATOM 0 HG LEU A 79 5.818 5.529 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.571 7.310 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.875 6.176 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.271 7.775 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.035 7.764 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.715 8.244 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.947 6.959 2.319 1.00 0.00 H new ATOM 1132 N ASN A 80 9.768 3.484 2.785 1.00 0.00 N ATOM 1133 CA ASN A 80 11.115 2.978 2.548 1.00 0.00 C ATOM 1134 C ASN A 80 11.073 1.635 1.826 1.00 0.00 C ATOM 1135 O ASN A 80 11.916 0.768 2.057 1.00 0.00 O ATOM 1136 CB ASN A 80 11.870 2.836 3.871 1.00 0.00 C ATOM 1137 CG ASN A 80 13.330 2.484 3.669 1.00 0.00 C ATOM 1138 OD1 ASN A 80 13.820 2.438 2.539 1.00 0.00 O ATOM 1139 ND2 ASN A 80 14.036 2.232 4.765 1.00 0.00 N ATOM 0 H ASN A 80 9.191 2.886 3.376 1.00 0.00 H new ATOM 0 HA ASN A 80 11.638 3.694 1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.798 3.770 4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.394 2.065 4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.024 1.989 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.590 2.281 5.681 1.00 0.00 H new ATOM 1146 N ILE A 81 10.085 1.469 0.953 1.00 0.00 N ATOM 1147 CA ILE A 81 9.933 0.233 0.198 1.00 0.00 C ATOM 1148 C ILE A 81 10.404 0.407 -1.243 1.00 0.00 C ATOM 1149 O ILE A 81 10.210 1.462 -1.846 1.00 0.00 O ATOM 1150 CB ILE A 81 8.467 -0.249 0.197 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.346 -1.600 -0.511 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.566 0.785 -0.463 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.373 -2.547 0.156 1.00 0.00 C ATOM 0 H ILE A 81 9.378 2.176 0.752 1.00 0.00 H new ATOM 0 HA ILE A 81 10.552 -0.517 0.690 1.00 0.00 H new ATOM 0 HB ILE A 81 8.145 -0.374 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.031 -1.434 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.329 -2.070 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.536 0.428 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.629 1.725 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.887 0.943 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.338 -3.484 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.698 -2.743 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.380 -2.097 0.171 1.00 0.00 H new ATOM 1165 N LEU A 82 11.025 -0.634 -1.788 1.00 0.00 N ATOM 1166 CA LEU A 82 11.525 -0.595 -3.158 1.00 0.00 C ATOM 1167 C LEU A 82 10.387 -0.357 -4.145 1.00 0.00 C ATOM 1168 O LEU A 82 9.214 -0.523 -3.809 1.00 0.00 O ATOM 1169 CB LEU A 82 12.246 -1.901 -3.497 1.00 0.00 C ATOM 1170 CG LEU A 82 13.700 -1.977 -3.030 1.00 0.00 C ATOM 1171 CD1 LEU A 82 14.065 -3.404 -2.652 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.634 -1.454 -4.112 1.00 0.00 C ATOM 0 H LEU A 82 11.194 -1.515 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 82 12.230 0.232 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.694 -2.729 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.219 -2.043 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 82 13.812 -1.349 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.103 -3.439 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.416 -3.744 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.937 -4.054 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.665 -1.515 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.520 -2.056 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.387 -0.416 -4.335 1.00 0.00 H new ATOM 1184 N HIS A 83 10.741 0.032 -5.366 1.00 0.00 N ATOM 1185 CA HIS A 83 9.750 0.293 -6.403 1.00 0.00 C ATOM 1186 C HIS A 83 9.111 -1.006 -6.883 1.00 0.00 C ATOM 1187 O HIS A 83 7.887 -1.112 -6.969 1.00 0.00 O ATOM 1188 CB HIS A 83 10.395 1.024 -7.582 1.00 0.00 C ATOM 1189 CG HIS A 83 9.405 1.695 -8.483 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.269 2.323 -8.017 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.385 1.835 -9.829 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.593 2.819 -9.038 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.248 2.537 -10.149 1.00 0.00 N ATOM 0 H HIS A 83 11.707 0.173 -5.661 1.00 0.00 H new ATOM 0 HA HIS A 83 8.971 0.924 -5.976 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.091 1.771 -7.199 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.980 0.312 -8.164 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.125 1.464 -10.523 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.662 3.363 -8.975 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.957 2.798 -11.091 1.00 0.00 H new ATOM 1202 N ASP A 84 9.945 -1.991 -7.197 1.00 0.00 N ATOM 1203 CA ASP A 84 9.461 -3.283 -7.669 1.00 0.00 C ATOM 1204 C ASP A 84 8.666 -3.996 -6.581 1.00 0.00 C ATOM 1205 O ASP A 84 7.661 -4.650 -6.859 1.00 0.00 O ATOM 1206 CB ASP A 84 10.633 -4.158 -8.118 1.00 0.00 C ATOM 1207 CG ASP A 84 11.210 -3.713 -9.447 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.550 -3.929 -10.485 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.325 -3.148 -9.450 1.00 0.00 O ATOM 0 H ASP A 84 10.960 -1.919 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 84 8.802 -3.107 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.414 -4.132 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.301 -5.193 -8.198 1.00 0.00 H new ATOM 1214 N GLU A 85 9.123 -3.866 -5.339 1.00 0.00 N ATOM 1215 CA GLU A 85 8.453 -4.499 -4.208 1.00 0.00 C ATOM 1216 C GLU A 85 7.039 -3.951 -4.039 1.00 0.00 C ATOM 1217 O GLU A 85 6.097 -4.703 -3.791 1.00 0.00 O ATOM 1218 CB GLU A 85 9.255 -4.279 -2.924 1.00 0.00 C ATOM 1219 CG GLU A 85 8.969 -5.309 -1.844 1.00 0.00 C ATOM 1220 CD GLU A 85 10.038 -5.338 -0.769 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.089 -4.390 0.043 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.823 -6.309 -0.738 1.00 0.00 O ATOM 0 H GLU A 85 9.954 -3.329 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 85 8.388 -5.569 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.319 -4.300 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.035 -3.285 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.004 -5.092 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.890 -6.296 -2.300 1.00 0.00 H new ATOM 1229 N ALA A 86 6.900 -2.636 -4.175 1.00 0.00 N ATOM 1230 CA ALA A 86 5.602 -1.987 -4.038 1.00 0.00 C ATOM 1231 C ALA A 86 4.613 -2.514 -5.073 1.00 0.00 C ATOM 1232 O ALA A 86 3.415 -2.612 -4.808 1.00 0.00 O ATOM 1233 CB ALA A 86 5.749 -0.479 -4.168 1.00 0.00 C ATOM 0 H ALA A 86 7.670 -2.000 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 86 5.211 -2.219 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.772 -0.008 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.415 -0.110 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.166 -0.237 -5.146 1.00 0.00 H new ATOM 1239 N VAL A 87 5.124 -2.853 -6.252 1.00 0.00 N ATOM 1240 CA VAL A 87 4.287 -3.371 -7.327 1.00 0.00 C ATOM 1241 C VAL A 87 4.001 -4.856 -7.134 1.00 0.00 C ATOM 1242 O VAL A 87 2.886 -5.320 -7.371 1.00 0.00 O ATOM 1243 CB VAL A 87 4.947 -3.163 -8.703 1.00 0.00 C ATOM 1244 CG1 VAL A 87 3.983 -3.530 -9.821 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.427 -1.727 -8.853 1.00 0.00 C ATOM 0 H VAL A 87 6.114 -2.778 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 87 3.350 -2.815 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 87 5.813 -3.821 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.468 -3.376 -10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.694 -4.576 -9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.095 -2.901 -9.757 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.891 -1.599 -9.831 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.579 -1.048 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.156 -1.504 -8.074 1.00 0.00 H new ATOM 1255 N ARG A 88 5.017 -5.598 -6.705 1.00 0.00 N ATOM 1256 CA ARG A 88 4.876 -7.032 -6.482 1.00 0.00 C ATOM 1257 C ARG A 88 4.036 -7.311 -5.239 1.00 0.00 C ATOM 1258 O ARG A 88 3.224 -8.235 -5.218 1.00 0.00 O ATOM 1259 CB ARG A 88 6.253 -7.686 -6.343 1.00 0.00 C ATOM 1260 CG ARG A 88 6.460 -8.870 -7.276 1.00 0.00 C ATOM 1261 CD ARG A 88 7.595 -8.623 -8.259 1.00 0.00 C ATOM 1262 NE ARG A 88 8.571 -9.710 -8.254 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.493 -9.874 -7.308 1.00 0.00 C ATOM 1264 NH1 ARG A 88 9.568 -9.024 -6.291 1.00 0.00 N ATOM 1265 NH2 ARG A 88 10.342 -10.890 -7.379 1.00 0.00 N ATOM 0 H ARG A 88 5.947 -5.230 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 88 4.365 -7.460 -7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.022 -6.940 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.387 -8.017 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.676 -9.762 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.539 -9.065 -7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.186 -8.508 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.094 -7.687 -8.009 1.00 0.00 H new ATOM 0 HE ARG A 88 8.544 -10.383 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.917 -8.241 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.276 -9.154 -5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.289 -11.546 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.049 -11.016 -6.654 1.00 0.00 H new ATOM 1279 N LEU A 89 4.238 -6.503 -4.201 1.00 0.00 N ATOM 1280 CA LEU A 89 3.500 -6.662 -2.954 1.00 0.00 C ATOM 1281 C LEU A 89 2.043 -6.247 -3.127 1.00 0.00 C ATOM 1282 O LEU A 89 1.151 -6.791 -2.474 1.00 0.00 O ATOM 1283 CB LEU A 89 4.150 -5.836 -1.843 1.00 0.00 C ATOM 1284 CG LEU A 89 3.556 -6.043 -0.449 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.853 -7.448 0.054 1.00 0.00 C ATOM 1286 CD2 LEU A 89 4.094 -5.003 0.520 1.00 0.00 C ATOM 0 H LEU A 89 4.906 -5.733 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 89 3.528 -7.716 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.213 -6.076 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.070 -4.780 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 89 2.475 -5.923 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.423 -7.577 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.417 -8.178 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.932 -7.596 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.660 -5.166 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.179 -5.090 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.829 -4.006 0.168 1.00 0.00 H new ATOM 1298 N LEU A 90 1.808 -5.281 -4.008 1.00 0.00 N ATOM 1299 CA LEU A 90 0.457 -4.793 -4.266 1.00 0.00 C ATOM 1300 C LEU A 90 -0.293 -5.737 -5.199 1.00 0.00 C ATOM 1301 O LEU A 90 -1.504 -5.919 -5.071 1.00 0.00 O ATOM 1302 CB LEU A 90 0.507 -3.389 -4.871 1.00 0.00 C ATOM 1303 CG LEU A 90 0.556 -2.247 -3.856 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.829 -0.923 -4.553 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.746 -2.178 -3.070 1.00 0.00 C ATOM 0 H LEU A 90 2.535 -4.820 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.076 -4.752 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.383 -3.319 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.368 -3.253 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 90 1.371 -2.441 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.860 -0.122 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.786 -0.975 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.036 -0.721 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.694 -1.360 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.576 -2.008 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.901 -3.117 -2.539 1.00 0.00 H new ATOM 1317 N LYS A 91 0.433 -6.332 -6.140 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.165 -7.258 -7.095 1.00 0.00 C ATOM 1319 C LYS A 91 0.179 -8.702 -6.742 1.00 0.00 C ATOM 1320 O LYS A 91 0.977 -9.347 -7.424 1.00 0.00 O ATOM 1321 CB LYS A 91 0.312 -6.936 -8.514 1.00 0.00 C ATOM 1322 CG LYS A 91 -0.612 -5.992 -9.266 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.564 -4.587 -8.685 1.00 0.00 C ATOM 1324 CE LYS A 91 0.321 -3.670 -9.514 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.248 -2.298 -9.624 1.00 0.00 N ATOM 0 H LYS A 91 1.436 -6.190 -6.262 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.248 -7.142 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.307 -6.493 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.405 -7.865 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.327 -5.962 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.633 -6.370 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.573 -4.177 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.190 -4.628 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.312 -3.617 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.447 -4.092 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.385 -1.704 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.183 -2.345 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.345 -1.885 -8.674 1.00 0.00 H new ATOM 1339 N SER A 92 -0.427 -9.204 -5.671 1.00 0.00 N ATOM 1340 CA SER A 92 -0.185 -10.572 -5.227 1.00 0.00 C ATOM 1341 C SER A 92 -1.047 -10.909 -4.014 1.00 0.00 C ATOM 1342 O SER A 92 -1.585 -12.012 -3.910 1.00 0.00 O ATOM 1343 CB SER A 92 1.293 -10.767 -4.885 1.00 0.00 C ATOM 1344 OG SER A 92 1.737 -12.059 -5.260 1.00 0.00 O ATOM 0 H SER A 92 -1.089 -8.684 -5.095 1.00 0.00 H new ATOM 0 HA SER A 92 -0.454 -11.245 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.890 -10.011 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.444 -10.623 -3.815 1.00 0.00 H new ATOM 0 HG SER A 92 2.685 -12.158 -5.032 1.00 0.00 H new ATOM 1350 N SER A 93 -1.174 -9.953 -3.101 1.00 0.00 N ATOM 1351 CA SER A 93 -1.971 -10.148 -1.895 1.00 0.00 C ATOM 1352 C SER A 93 -3.461 -10.087 -2.212 1.00 0.00 C ATOM 1353 O SER A 93 -3.871 -9.480 -3.201 1.00 0.00 O ATOM 1354 CB SER A 93 -1.615 -9.091 -0.847 1.00 0.00 C ATOM 1355 OG SER A 93 -1.440 -9.679 0.430 1.00 0.00 O ATOM 0 H SER A 93 -0.735 -9.035 -3.173 1.00 0.00 H new ATOM 0 HA SER A 93 -1.744 -11.136 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.701 -8.575 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.404 -8.340 -0.800 1.00 0.00 H new ATOM 0 HG SER A 93 -1.212 -8.984 1.082 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.268 -10.720 -1.367 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.714 -10.738 -1.556 1.00 0.00 C ATOM 1363 C ARG A 94 -6.317 -9.367 -1.268 1.00 0.00 C ATOM 1364 O ARG A 94 -6.829 -8.702 -2.167 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.355 -11.792 -0.652 1.00 0.00 C ATOM 1366 CG ARG A 94 -5.825 -13.198 -0.887 1.00 0.00 C ATOM 1367 CD ARG A 94 -4.783 -13.585 0.150 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.228 -14.699 0.984 1.00 0.00 N ATOM 1369 CZ ARG A 94 -4.411 -15.440 1.728 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -3.108 -15.189 1.748 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -4.899 -16.436 2.457 1.00 0.00 N ATOM 0 H ARG A 94 -3.945 -11.228 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.916 -10.992 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.185 -11.518 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.433 -11.788 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.651 -13.909 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.388 -13.261 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.855 -13.857 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.563 -12.724 0.782 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.223 -14.922 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.727 -14.424 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.487 -15.761 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.900 -16.633 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.273 -17.005 3.028 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.254 -8.953 -0.007 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.794 -7.661 0.401 1.00 0.00 C ATOM 1387 C HIS A 95 -5.730 -6.572 0.307 1.00 0.00 C ATOM 1388 O HIS A 95 -4.560 -6.805 0.609 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.339 -7.741 1.830 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.710 -7.160 1.979 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.767 -7.858 2.528 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.198 -5.941 1.649 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.844 -7.092 2.528 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.525 -5.925 2.001 1.00 0.00 N ATOM 0 H HIS A 95 -5.835 -9.493 0.750 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.609 -7.404 -0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.359 -8.784 2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.657 -7.219 2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.646 -5.132 1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.819 -7.373 2.897 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -11.162 -5.138 1.875 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.144 -5.381 -0.113 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.225 -4.256 -0.247 1.00 0.00 C ATOM 1405 C LEU A 96 -5.854 -2.974 0.290 1.00 0.00 C ATOM 1406 O LEU A 96 -6.791 -2.436 -0.300 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.827 -4.068 -1.712 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.557 -5.363 -2.480 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.601 -5.113 -3.979 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.216 -5.953 -2.073 1.00 0.00 C ATOM 0 H LEU A 96 -7.109 -5.170 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.333 -4.475 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.620 -3.520 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.933 -3.446 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.337 -6.082 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.407 -6.045 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.586 -4.736 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.842 -4.378 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.040 -6.874 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.422 -5.239 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.223 -6.170 -1.005 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.331 -2.490 1.412 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.840 -1.270 2.029 1.00 0.00 C ATOM 1424 C ILE A 97 -4.822 -0.139 1.929 1.00 0.00 C ATOM 1425 O ILE A 97 -3.951 0.003 2.786 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.195 -1.496 3.511 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.045 -2.760 3.670 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -6.924 -0.283 4.070 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.392 -3.822 4.526 1.00 0.00 C ATOM 0 H ILE A 97 -4.555 -2.924 1.912 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.743 -0.993 1.485 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.272 -1.632 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.005 -2.490 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.252 -3.176 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.169 -0.457 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.284 0.596 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.842 -0.118 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.050 -4.688 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.445 -4.120 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.210 -3.424 5.524 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.940 0.664 0.877 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.030 1.784 0.664 1.00 0.00 C ATOM 1443 C LEU A 98 -4.488 3.012 1.443 1.00 0.00 C ATOM 1444 O LEU A 98 -5.683 3.205 1.671 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.937 2.116 -0.826 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.426 0.979 -1.713 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.565 0.050 -2.099 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.745 1.537 -2.954 1.00 0.00 C ATOM 0 H LEU A 98 -5.657 0.560 0.159 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.044 1.493 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.924 2.415 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.280 2.977 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.692 0.404 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.182 -0.752 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.008 -0.376 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.323 0.611 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.388 0.715 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.457 2.136 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.902 2.161 -2.657 1.00 0.00 H new ATOM 1460 N THR A 99 -3.531 3.841 1.847 1.00 0.00 N ATOM 1461 CA THR A 99 -3.836 5.053 2.599 1.00 0.00 C ATOM 1462 C THR A 99 -3.195 6.273 1.946 1.00 0.00 C ATOM 1463 O THR A 99 -2.145 6.743 2.383 1.00 0.00 O ATOM 1464 CB THR A 99 -3.349 4.917 4.043 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.739 3.670 4.589 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.875 6.003 4.957 1.00 0.00 C ATOM 0 H THR A 99 -2.538 3.696 1.666 1.00 0.00 H new ATOM 0 HA THR A 99 -4.917 5.190 2.599 1.00 0.00 H new ATOM 0 HB THR A 99 -2.264 5.003 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.417 3.602 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.492 5.847 5.965 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.548 6.976 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.964 5.969 4.974 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.834 6.779 0.896 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.326 7.944 0.182 1.00 0.00 C ATOM 1476 C VAL A 100 -3.887 9.236 0.765 1.00 0.00 C ATOM 1477 O VAL A 100 -4.981 9.250 1.329 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.672 7.878 -1.317 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.833 6.820 -2.015 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.156 7.607 -1.511 1.00 0.00 C ATOM 0 H VAL A 100 -4.704 6.401 0.521 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.242 7.938 0.299 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.441 8.844 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.093 6.789 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.776 7.065 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.028 5.846 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.382 7.564 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.416 6.656 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.735 8.407 -1.050 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.131 10.320 0.623 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.553 11.619 1.135 1.00 0.00 C ATOM 1492 C LYS A 101 -3.978 12.540 -0.004 1.00 0.00 C ATOM 1493 O LYS A 101 -3.597 12.335 -1.157 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.423 12.267 1.937 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.086 12.264 1.213 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.123 13.271 1.819 1.00 0.00 C ATOM 1497 CE LYS A 101 -0.386 14.677 1.305 1.00 0.00 C ATOM 1498 NZ LYS A 101 -1.060 15.526 2.325 1.00 0.00 N ATOM 0 H LYS A 101 -2.223 10.325 0.158 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.410 11.462 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.698 13.295 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.314 11.742 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.648 11.267 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.241 12.496 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.217 13.257 2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.901 12.983 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.557 15.139 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.005 14.626 0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.865 16.528 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.086 15.360 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.700 15.284 3.270 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.770 13.555 0.327 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.247 14.508 -0.669 1.00 0.00 C ATOM 1514 C ASP A 102 -4.085 15.286 -1.280 1.00 0.00 C ATOM 1515 O ASP A 102 -3.383 16.019 -0.586 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.249 15.477 -0.038 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.487 14.772 0.477 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.341 13.730 1.149 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -8.604 15.264 0.209 1.00 0.00 O ATOM 0 H ASP A 102 -5.095 13.739 1.276 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.742 13.949 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.769 16.009 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.540 16.225 -0.775 1.00 0.00 H new