USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0949 K(o=-0.095,f=-0.93) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.795 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 180:sc= 0 USER MOD Single : A 57 SER OG : rot 122:sc= 1.2 USER MOD Single : A 62 SER OG : rot 60:sc= -0.68 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : A 74 ASN : amide:sc= 0.587 K(o=0.59,f=-0.38) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0312 K(o=-0.031,f=-0.57) USER MOD Single : A 83 HIS : no HD1:sc= -0.0841 X(o=-0.084,f=-0.31) USER MOD Single : A 91 LYS NZ :NH3+ -107:sc= -0.0589 (180deg=-2.2!) 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=-0.00673 X(o=-0.0067,f=-0.25) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -5.946 11.420 6.231 1.00 0.00 N ATOM 272 CA GLU A 21 -5.594 10.130 5.649 1.00 0.00 C ATOM 273 C GLU A 21 -6.830 9.426 5.099 1.00 0.00 C ATOM 274 O GLU A 21 -7.837 9.286 5.793 1.00 0.00 O ATOM 275 CB GLU A 21 -4.911 9.246 6.693 1.00 0.00 C ATOM 276 CG GLU A 21 -3.513 9.714 7.064 1.00 0.00 C ATOM 277 CD GLU A 21 -3.515 10.690 8.225 1.00 0.00 C ATOM 278 OE1 GLU A 21 -4.449 10.626 9.051 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.583 11.517 8.307 1.00 0.00 O ATOM 0 HA GLU A 21 -4.903 10.307 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.527 9.218 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.855 8.226 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.901 8.850 7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.050 10.186 6.198 1.00 0.00 H new ATOM 286 N LYS A 22 -6.746 8.984 3.848 1.00 0.00 N ATOM 287 CA LYS A 22 -7.857 8.294 3.204 1.00 0.00 C ATOM 288 C LYS A 22 -7.515 6.829 2.950 1.00 0.00 C ATOM 289 O LYS A 22 -6.532 6.519 2.278 1.00 0.00 O ATOM 290 CB LYS A 22 -8.214 8.982 1.884 1.00 0.00 C ATOM 291 CG LYS A 22 -9.476 8.436 1.237 1.00 0.00 C ATOM 292 CD LYS A 22 -9.862 9.240 0.006 1.00 0.00 C ATOM 293 CE LYS A 22 -9.429 8.546 -1.277 1.00 0.00 C ATOM 294 NZ LYS A 22 -8.566 9.422 -2.118 1.00 0.00 N ATOM 0 H LYS A 22 -5.919 9.092 3.260 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.716 8.337 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.340 10.050 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.382 8.871 1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.322 7.393 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.294 8.456 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.942 9.389 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.404 10.228 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.888 7.632 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.311 8.251 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.292 8.913 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.090 10.283 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.712 9.683 -1.585 1.00 0.00 H new ATOM 308 N LYS A 23 -8.332 5.933 3.494 1.00 0.00 N ATOM 309 CA LYS A 23 -8.116 4.501 3.328 1.00 0.00 C ATOM 310 C LYS A 23 -8.866 3.977 2.107 1.00 0.00 C ATOM 311 O LYS A 23 -9.934 4.481 1.758 1.00 0.00 O ATOM 312 CB LYS A 23 -8.562 3.748 4.584 1.00 0.00 C ATOM 313 CG LYS A 23 -7.485 2.844 5.164 1.00 0.00 C ATOM 314 CD LYS A 23 -7.206 3.172 6.623 1.00 0.00 C ATOM 315 CE LYS A 23 -7.001 1.912 7.449 1.00 0.00 C ATOM 316 NZ LYS A 23 -6.337 2.202 8.750 1.00 0.00 N ATOM 0 H LYS A 23 -9.150 6.174 4.054 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.050 4.333 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.866 4.470 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.440 3.147 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.797 1.803 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.568 2.951 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.319 3.802 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.037 3.746 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.965 1.437 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.397 1.202 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.216 1.317 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.406 2.632 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.925 2.860 9.301 1.00 0.00 H new ATOM 330 N VAL A 24 -8.301 2.962 1.461 1.00 0.00 N ATOM 331 CA VAL A 24 -8.916 2.369 0.281 1.00 0.00 C ATOM 332 C VAL A 24 -8.779 0.850 0.293 1.00 0.00 C ATOM 333 O VAL A 24 -7.819 0.301 -0.249 1.00 0.00 O ATOM 334 CB VAL A 24 -8.292 2.919 -1.015 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.074 2.446 -2.230 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.226 4.439 -0.972 1.00 0.00 C ATOM 0 H VAL A 24 -7.417 2.533 1.736 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.972 2.636 0.308 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.275 2.536 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.617 2.846 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.063 1.357 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.104 2.796 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.782 4.810 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.232 4.844 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.616 4.753 -0.125 1.00 0.00 H new ATOM 346 N ASN A 25 -9.743 0.178 0.912 1.00 0.00 N ATOM 347 CA ASN A 25 -9.728 -1.277 0.995 1.00 0.00 C ATOM 348 C ASN A 25 -10.245 -1.901 -0.298 1.00 0.00 C ATOM 349 O ASN A 25 -11.160 -1.373 -0.930 1.00 0.00 O ATOM 350 CB ASN A 25 -10.575 -1.751 2.178 1.00 0.00 C ATOM 351 CG ASN A 25 -11.967 -1.151 2.169 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.180 -0.039 2.653 1.00 0.00 O ATOM 353 ND2 ASN A 25 -12.925 -1.887 1.618 1.00 0.00 N ATOM 0 H ASN A 25 -10.545 0.618 1.364 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.697 -1.597 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.651 -2.838 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.074 -1.486 3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.882 -1.536 1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.704 -2.803 1.229 1.00 0.00 H new ATOM 360 N LEU A 26 -9.654 -3.027 -0.684 1.00 0.00 N ATOM 361 CA LEU A 26 -10.056 -3.722 -1.901 1.00 0.00 C ATOM 362 C LEU A 26 -9.914 -5.232 -1.736 1.00 0.00 C ATOM 363 O LEU A 26 -8.889 -5.721 -1.262 1.00 0.00 O ATOM 364 CB LEU A 26 -9.214 -3.245 -3.087 1.00 0.00 C ATOM 365 CG LEU A 26 -9.373 -1.765 -3.440 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.276 -1.325 -4.396 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.745 -1.508 -4.044 1.00 0.00 C ATOM 0 H LEU A 26 -8.895 -3.477 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.104 -3.492 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.164 -3.440 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.475 -3.841 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.285 -1.179 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.405 -0.270 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.303 -1.474 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.332 -1.915 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.842 -0.450 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.861 -2.103 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.517 -1.786 -3.326 1.00 0.00 H new ATOM 379 N VAL A 27 -10.951 -5.964 -2.130 1.00 0.00 N ATOM 380 CA VAL A 27 -10.943 -7.418 -2.026 1.00 0.00 C ATOM 381 C VAL A 27 -10.823 -8.067 -3.400 1.00 0.00 C ATOM 382 O VAL A 27 -11.824 -8.303 -4.076 1.00 0.00 O ATOM 383 CB VAL A 27 -12.217 -7.939 -1.335 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.102 -9.430 -1.057 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.482 -7.168 -0.051 1.00 0.00 C ATOM 0 H VAL A 27 -11.807 -5.574 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.076 -7.687 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.062 -7.782 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.011 -9.780 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.965 -9.966 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.247 -9.614 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.386 -7.550 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.637 -7.290 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.613 -6.111 -0.282 1.00 0.00 H new ATOM 395 N LEU A 28 -9.591 -8.354 -3.807 1.00 0.00 N ATOM 396 CA LEU A 28 -9.339 -8.978 -5.102 1.00 0.00 C ATOM 397 C LEU A 28 -9.960 -10.369 -5.164 1.00 0.00 C ATOM 398 O LEU A 28 -10.173 -11.011 -4.135 1.00 0.00 O ATOM 399 CB LEU A 28 -7.836 -9.063 -5.367 1.00 0.00 C ATOM 400 CG LEU A 28 -7.130 -7.716 -5.531 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.619 -7.899 -5.520 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.578 -7.034 -6.815 1.00 0.00 C ATOM 0 H LEU A 28 -8.751 -8.165 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.800 -8.360 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.368 -9.604 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.674 -9.653 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.403 -7.079 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.134 -6.930 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.313 -8.345 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.326 -8.554 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.066 -6.077 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.334 -7.668 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.655 -6.868 -6.782 1.00 0.00 H new ATOM 464 N SER A 33 -5.934 -7.422 -10.235 1.00 0.00 N ATOM 465 CA SER A 33 -4.886 -6.421 -10.075 1.00 0.00 C ATOM 466 C SER A 33 -5.482 -5.052 -9.762 1.00 0.00 C ATOM 467 O SER A 33 -6.687 -4.843 -9.901 1.00 0.00 O ATOM 468 CB SER A 33 -4.032 -6.341 -11.341 1.00 0.00 C ATOM 469 OG SER A 33 -3.136 -7.436 -11.424 1.00 0.00 O ATOM 0 HA SER A 33 -4.256 -6.722 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.678 -6.329 -12.219 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.470 -5.407 -11.346 1.00 0.00 H new ATOM 0 HG SER A 33 -2.603 -7.361 -12.243 1.00 0.00 H new ATOM 475 N LEU A 34 -4.629 -4.124 -9.341 1.00 0.00 N ATOM 476 CA LEU A 34 -5.071 -2.774 -9.009 1.00 0.00 C ATOM 477 C LEU A 34 -5.097 -1.890 -10.251 1.00 0.00 C ATOM 478 O LEU A 34 -5.964 -1.028 -10.393 1.00 0.00 O ATOM 479 CB LEU A 34 -4.151 -2.161 -7.951 1.00 0.00 C ATOM 480 CG LEU A 34 -4.298 -2.749 -6.547 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.167 -2.271 -5.649 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.648 -2.374 -5.952 1.00 0.00 C ATOM 0 H LEU A 34 -3.628 -4.282 -9.222 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.083 -2.837 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.117 -2.285 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.343 -1.089 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.244 -3.835 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.287 -2.699 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.212 -2.588 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.191 -1.183 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.736 -2.800 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.730 -1.289 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.445 -2.764 -6.585 1.00 0.00 H new ATOM 494 N GLY A 35 -4.142 -2.110 -11.148 1.00 0.00 N ATOM 495 CA GLY A 35 -4.074 -1.326 -12.367 1.00 0.00 C ATOM 496 C GLY A 35 -3.576 0.084 -12.122 1.00 0.00 C ATOM 497 O GLY A 35 -3.987 1.023 -12.803 1.00 0.00 O ATOM 0 H GLY A 35 -3.414 -2.818 -11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.414 -1.823 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.063 -1.285 -12.824 1.00 0.00 H new ATOM 501 N LEU A 36 -2.687 0.234 -11.146 1.00 0.00 N ATOM 502 CA LEU A 36 -2.131 1.541 -10.812 1.00 0.00 C ATOM 503 C LEU A 36 -0.688 1.658 -11.292 1.00 0.00 C ATOM 504 O LEU A 36 0.036 0.665 -11.361 1.00 0.00 O ATOM 505 CB LEU A 36 -2.199 1.776 -9.302 1.00 0.00 C ATOM 506 CG LEU A 36 -3.606 1.999 -8.744 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.614 1.816 -7.234 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.115 3.381 -9.119 1.00 0.00 C ATOM 0 H LEU A 36 -2.336 -0.533 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.726 2.301 -11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.756 0.918 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.586 2.643 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.274 1.258 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.622 1.978 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.292 0.804 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.934 2.534 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.117 3.522 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.447 4.138 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.146 3.475 -10.204 1.00 0.00 H new ATOM 520 N THR A 37 -0.277 2.878 -11.622 1.00 0.00 N ATOM 521 CA THR A 37 1.081 3.125 -12.096 1.00 0.00 C ATOM 522 C THR A 37 1.860 3.971 -11.095 1.00 0.00 C ATOM 523 O THR A 37 1.933 5.194 -11.223 1.00 0.00 O ATOM 524 CB THR A 37 1.049 3.825 -13.456 1.00 0.00 C ATOM 525 OG1 THR A 37 0.035 3.277 -14.279 1.00 0.00 O ATOM 526 CG2 THR A 37 2.358 3.726 -14.210 1.00 0.00 C ATOM 0 H THR A 37 -0.864 3.711 -11.570 1.00 0.00 H new ATOM 0 HA THR A 37 1.583 2.163 -12.201 1.00 0.00 H new ATOM 0 HB THR A 37 0.853 4.875 -13.237 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.131 3.623 -15.191 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.268 4.243 -15.165 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.152 4.186 -13.622 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.598 2.677 -14.386 1.00 0.00 H new ATOM 534 N ILE A 38 2.440 3.312 -10.097 1.00 0.00 N ATOM 535 CA ILE A 38 3.214 4.004 -9.074 1.00 0.00 C ATOM 536 C ILE A 38 4.652 4.227 -9.529 1.00 0.00 C ATOM 537 O ILE A 38 5.118 3.598 -10.478 1.00 0.00 O ATOM 538 CB ILE A 38 3.223 3.219 -7.748 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.770 1.808 -7.970 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.823 3.163 -7.156 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.081 1.072 -6.685 1.00 0.00 C ATOM 0 H ILE A 38 2.388 2.301 -9.975 1.00 0.00 H new ATOM 0 HA ILE A 38 2.733 4.969 -8.913 1.00 0.00 H new ATOM 0 HB ILE A 38 3.874 3.734 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.044 1.231 -8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.676 1.869 -8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.846 2.605 -6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.467 4.176 -6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.151 2.668 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.465 0.079 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.830 1.627 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.173 0.979 -6.090 1.00 0.00 H new ATOM 553 N ARG A 39 5.350 5.128 -8.844 1.00 0.00 N ATOM 554 CA ARG A 39 6.736 5.435 -9.177 1.00 0.00 C ATOM 555 C ARG A 39 7.568 5.638 -7.914 1.00 0.00 C ATOM 556 O ARG A 39 7.053 5.550 -6.799 1.00 0.00 O ATOM 557 CB ARG A 39 6.807 6.686 -10.055 1.00 0.00 C ATOM 558 CG ARG A 39 5.991 7.852 -9.518 1.00 0.00 C ATOM 559 CD ARG A 39 6.800 9.139 -9.493 1.00 0.00 C ATOM 560 NE ARG A 39 6.054 10.267 -10.046 1.00 0.00 N ATOM 561 CZ ARG A 39 6.553 11.492 -10.181 1.00 0.00 C ATOM 562 NH1 ARG A 39 7.798 11.755 -9.804 1.00 0.00 N ATOM 563 NH2 ARG A 39 5.806 12.460 -10.695 1.00 0.00 N ATOM 0 H ARG A 39 4.978 5.658 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 39 7.146 4.589 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.848 6.995 -10.150 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.455 6.438 -11.056 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.104 7.991 -10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.644 7.620 -8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.090 9.365 -8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.720 9.000 -10.061 1.00 0.00 H new ATOM 0 HE ARG A 39 5.093 10.105 -10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.378 11.015 -9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.175 12.697 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.848 12.265 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.189 13.400 -10.798 1.00 0.00 H new ATOM 577 N GLY A 40 8.855 5.911 -8.097 1.00 0.00 N ATOM 578 CA GLY A 40 9.736 6.124 -6.964 1.00 0.00 C ATOM 579 C GLY A 40 9.990 4.851 -6.180 1.00 0.00 C ATOM 580 O GLY A 40 9.398 3.810 -6.465 1.00 0.00 O ATOM 0 H GLY A 40 9.304 5.989 -9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.686 6.526 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.299 6.873 -6.303 1.00 0.00 H new ATOM 584 N GLY A 41 10.874 4.935 -5.190 1.00 0.00 N ATOM 585 CA GLY A 41 11.189 3.774 -4.378 1.00 0.00 C ATOM 586 C GLY A 41 12.183 4.091 -3.278 1.00 0.00 C ATOM 587 O GLY A 41 12.639 5.227 -3.152 1.00 0.00 O ATOM 0 H GLY A 41 11.377 5.785 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.273 3.384 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.594 2.988 -5.015 1.00 0.00 H new ATOM 591 N ALA A 42 12.520 3.083 -2.480 1.00 0.00 N ATOM 592 CA ALA A 42 13.466 3.258 -1.384 1.00 0.00 C ATOM 593 C ALA A 42 14.885 3.443 -1.909 1.00 0.00 C ATOM 594 O ALA A 42 15.701 4.128 -1.292 1.00 0.00 O ATOM 595 CB ALA A 42 13.402 2.070 -0.437 1.00 0.00 C ATOM 0 H ALA A 42 12.152 2.136 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 42 13.188 4.159 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.113 2.214 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.395 1.985 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.651 1.158 -0.980 1.00 0.00 H new ATOM 601 N GLU A 43 15.174 2.828 -3.051 1.00 0.00 N ATOM 602 CA GLU A 43 16.495 2.924 -3.658 1.00 0.00 C ATOM 603 C GLU A 43 16.746 4.327 -4.199 1.00 0.00 C ATOM 604 O GLU A 43 17.873 4.823 -4.169 1.00 0.00 O ATOM 605 CB GLU A 43 16.638 1.898 -4.785 1.00 0.00 C ATOM 606 CG GLU A 43 18.074 1.461 -5.031 1.00 0.00 C ATOM 607 CD GLU A 43 18.434 1.444 -6.504 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.408 2.522 -7.133 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.741 0.352 -7.027 1.00 0.00 O ATOM 0 H GLU A 43 14.510 2.258 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 43 17.236 2.714 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.036 1.021 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.233 2.321 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.750 2.134 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.224 0.466 -4.613 1.00 0.00 H new ATOM 616 N TYR A 44 15.690 4.964 -4.693 1.00 0.00 N ATOM 617 CA TYR A 44 15.797 6.313 -5.241 1.00 0.00 C ATOM 618 C TYR A 44 15.392 7.365 -4.209 1.00 0.00 C ATOM 619 O TYR A 44 15.178 8.528 -4.551 1.00 0.00 O ATOM 620 CB TYR A 44 14.926 6.447 -6.490 1.00 0.00 C ATOM 621 CG TYR A 44 15.224 5.413 -7.552 1.00 0.00 C ATOM 622 CD1 TYR A 44 16.362 5.510 -8.343 1.00 0.00 C ATOM 623 CD2 TYR A 44 14.367 4.340 -7.764 1.00 0.00 C ATOM 624 CE1 TYR A 44 16.638 4.567 -9.315 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.636 3.393 -8.734 1.00 0.00 C ATOM 626 CZ TYR A 44 15.772 3.510 -9.506 1.00 0.00 C ATOM 627 OH TYR A 44 16.043 2.569 -10.473 1.00 0.00 O ATOM 0 H TYR A 44 14.750 4.569 -4.726 1.00 0.00 H new ATOM 0 HA TYR A 44 16.840 6.483 -5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.878 6.367 -6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 44 15.065 7.441 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 44 17.042 6.336 -8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.476 4.244 -7.161 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.527 4.657 -9.922 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.959 2.565 -8.886 1.00 0.00 H new ATOM 0 HH TYR A 44 15.335 1.891 -10.477 1.00 0.00 H new ATOM 637 N GLY A 45 15.288 6.954 -2.947 1.00 0.00 N ATOM 638 CA GLY A 45 14.910 7.878 -1.893 1.00 0.00 C ATOM 639 C GLY A 45 13.619 8.616 -2.196 1.00 0.00 C ATOM 640 O GLY A 45 13.441 9.762 -1.787 1.00 0.00 O ATOM 0 H GLY A 45 15.459 5.997 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.799 7.330 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.711 8.602 -1.745 1.00 0.00 H new ATOM 644 N LEU A 46 12.718 7.956 -2.917 1.00 0.00 N ATOM 645 CA LEU A 46 11.438 8.556 -3.275 1.00 0.00 C ATOM 646 C LEU A 46 10.277 7.684 -2.810 1.00 0.00 C ATOM 647 O LEU A 46 10.291 6.466 -2.990 1.00 0.00 O ATOM 648 CB LEU A 46 11.356 8.770 -4.787 1.00 0.00 C ATOM 649 CG LEU A 46 10.106 9.508 -5.270 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.167 10.975 -4.877 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.950 9.362 -6.776 1.00 0.00 C ATOM 0 H LEU A 46 12.851 7.006 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 46 11.366 9.521 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.236 9.328 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.398 7.798 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 46 9.235 9.062 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.270 11.484 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.230 11.059 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.046 11.436 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.056 9.893 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.824 9.782 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.859 8.306 -7.032 1.00 0.00 H new ATOM 663 N GLY A 47 9.272 8.315 -2.210 1.00 0.00 N ATOM 664 CA GLY A 47 8.117 7.580 -1.728 1.00 0.00 C ATOM 665 C GLY A 47 7.373 6.874 -2.844 1.00 0.00 C ATOM 666 O GLY A 47 7.881 6.753 -3.959 1.00 0.00 O ATOM 0 H GLY A 47 9.237 9.322 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.439 6.846 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.439 8.266 -1.221 1.00 0.00 H new ATOM 670 N ILE A 48 6.165 6.407 -2.544 1.00 0.00 N ATOM 671 CA ILE A 48 5.349 5.708 -3.530 1.00 0.00 C ATOM 672 C ILE A 48 4.159 6.559 -3.962 1.00 0.00 C ATOM 673 O ILE A 48 3.159 6.652 -3.249 1.00 0.00 O ATOM 674 CB ILE A 48 4.834 4.364 -2.982 1.00 0.00 C ATOM 675 CG1 ILE A 48 5.984 3.561 -2.373 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.150 3.568 -4.085 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.047 3.169 -3.377 1.00 0.00 C ATOM 0 H ILE A 48 5.730 6.500 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 48 5.988 5.519 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 48 4.103 4.565 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.445 4.148 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.582 2.659 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.792 2.621 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.307 4.138 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.861 3.374 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.831 2.602 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.600 2.555 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.477 4.067 -3.821 1.00 0.00 H new ATOM 689 N TYR A 49 4.275 7.178 -5.132 1.00 0.00 N ATOM 690 CA TYR A 49 3.209 8.021 -5.660 1.00 0.00 C ATOM 691 C TYR A 49 2.408 7.281 -6.726 1.00 0.00 C ATOM 692 O TYR A 49 2.634 6.096 -6.974 1.00 0.00 O ATOM 693 CB TYR A 49 3.792 9.308 -6.246 1.00 0.00 C ATOM 694 CG TYR A 49 4.585 10.124 -5.251 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.949 9.918 -5.085 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.970 11.100 -4.477 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.677 10.661 -4.176 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.692 11.847 -3.566 1.00 0.00 C ATOM 699 CZ TYR A 49 6.045 11.624 -3.420 1.00 0.00 C ATOM 700 OH TYR A 49 6.768 12.366 -2.513 1.00 0.00 O ATOM 0 H TYR A 49 5.097 7.112 -5.733 1.00 0.00 H new ATOM 0 HA TYR A 49 2.539 8.274 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.435 9.054 -7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.979 9.919 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.448 9.165 -5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.911 11.278 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.737 10.488 -4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.199 12.602 -2.971 1.00 0.00 H new ATOM 0 HH TYR A 49 6.174 13.002 -2.063 1.00 0.00 H new ATOM 710 N ILE A 50 1.473 7.985 -7.354 1.00 0.00 N ATOM 711 CA ILE A 50 0.640 7.394 -8.394 1.00 0.00 C ATOM 712 C ILE A 50 0.534 8.317 -9.603 1.00 0.00 C ATOM 713 O ILE A 50 0.333 9.523 -9.460 1.00 0.00 O ATOM 714 CB ILE A 50 -0.777 7.087 -7.873 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.704 6.330 -6.546 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.557 6.285 -8.904 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.059 6.054 -5.931 1.00 0.00 C ATOM 0 H ILE A 50 1.273 8.966 -7.161 1.00 0.00 H new ATOM 0 HA ILE A 50 1.120 6.462 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.298 8.029 -7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.187 5.384 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.105 6.906 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.556 6.076 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.635 6.858 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.040 5.346 -9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.930 5.515 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.571 6.997 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.654 5.451 -6.617 1.00 0.00 H new ATOM 729 N THR A 51 0.672 7.743 -10.794 1.00 0.00 N ATOM 730 CA THR A 51 0.593 8.516 -12.028 1.00 0.00 C ATOM 731 C THR A 51 -0.006 7.682 -13.157 1.00 0.00 C ATOM 732 O THR A 51 0.399 7.803 -14.313 1.00 0.00 O ATOM 733 CB THR A 51 1.980 9.019 -12.429 1.00 0.00 C ATOM 734 OG1 THR A 51 2.830 7.935 -12.762 1.00 0.00 O ATOM 735 CG2 THR A 51 2.663 9.821 -11.344 1.00 0.00 C ATOM 0 H THR A 51 0.839 6.746 -10.930 1.00 0.00 H new ATOM 0 HA THR A 51 -0.058 9.372 -11.850 1.00 0.00 H new ATOM 0 HB THR A 51 1.814 9.669 -13.288 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.712 8.277 -13.017 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.642 10.147 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.056 10.693 -11.099 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.783 9.202 -10.455 1.00 0.00 H new ATOM 743 N GLY A 52 -0.971 6.835 -12.813 1.00 0.00 N ATOM 744 CA GLY A 52 -1.608 5.995 -13.809 1.00 0.00 C ATOM 745 C GLY A 52 -2.745 5.173 -13.236 1.00 0.00 C ATOM 746 O GLY A 52 -2.631 4.623 -12.141 1.00 0.00 O ATOM 0 H GLY A 52 -1.323 6.716 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.988 6.620 -14.617 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.865 5.327 -14.245 1.00 0.00 H new ATOM 750 N VAL A 53 -3.844 5.090 -13.978 1.00 0.00 N ATOM 751 CA VAL A 53 -5.008 4.329 -13.539 1.00 0.00 C ATOM 752 C VAL A 53 -5.637 3.570 -14.701 1.00 0.00 C ATOM 753 O VAL A 53 -6.070 4.170 -15.684 1.00 0.00 O ATOM 754 CB VAL A 53 -6.070 5.245 -12.903 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.182 4.418 -12.273 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.434 6.167 -11.875 1.00 0.00 C ATOM 0 H VAL A 53 -3.953 5.541 -14.887 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.658 3.618 -12.791 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.508 5.862 -13.688 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.923 5.083 -11.829 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.657 3.805 -13.038 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.763 3.774 -11.500 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.200 6.807 -11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.967 5.571 -11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.678 6.786 -12.359 1.00 0.00 H new ATOM 766 N ASP A 54 -5.683 2.247 -14.583 1.00 0.00 N ATOM 767 CA ASP A 54 -6.257 1.406 -15.626 1.00 0.00 C ATOM 768 C ASP A 54 -7.783 1.404 -15.545 1.00 0.00 C ATOM 769 O ASP A 54 -8.353 1.311 -14.458 1.00 0.00 O ATOM 770 CB ASP A 54 -5.727 -0.023 -15.506 1.00 0.00 C ATOM 771 CG ASP A 54 -4.469 -0.244 -16.325 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.547 0.594 -16.234 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.407 -1.254 -17.058 1.00 0.00 O ATOM 0 H ASP A 54 -5.329 1.734 -13.775 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.963 1.816 -16.592 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.519 -0.244 -14.459 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.497 -0.722 -15.832 1.00 0.00 H new ATOM 778 N PRO A 55 -8.469 1.504 -16.698 1.00 0.00 N ATOM 779 CA PRO A 55 -9.933 1.511 -16.746 1.00 0.00 C ATOM 780 C PRO A 55 -10.527 0.123 -16.534 1.00 0.00 C ATOM 781 O PRO A 55 -10.357 -0.770 -17.365 1.00 0.00 O ATOM 782 CB PRO A 55 -10.232 2.011 -18.159 1.00 0.00 C ATOM 783 CG PRO A 55 -9.063 1.567 -18.967 1.00 0.00 C ATOM 784 CD PRO A 55 -7.873 1.618 -18.045 1.00 0.00 C ATOM 0 HA PRO A 55 -10.367 2.127 -15.958 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.162 1.589 -18.541 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.341 3.095 -18.182 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.215 0.558 -19.351 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.916 2.217 -19.829 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.176 0.804 -18.245 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.317 2.549 -18.160 1.00 0.00 H new ATOM 792 N GLY A 56 -11.226 -0.053 -15.418 1.00 0.00 N ATOM 793 CA GLY A 56 -11.836 -1.337 -15.119 1.00 0.00 C ATOM 794 C GLY A 56 -11.241 -1.991 -13.886 1.00 0.00 C ATOM 795 O GLY A 56 -11.908 -2.770 -13.206 1.00 0.00 O ATOM 0 H GLY A 56 -11.381 0.670 -14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.908 -1.201 -14.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.713 -2.002 -15.974 1.00 0.00 H new ATOM 799 N SER A 57 -9.982 -1.674 -13.599 1.00 0.00 N ATOM 800 CA SER A 57 -9.298 -2.238 -12.441 1.00 0.00 C ATOM 801 C SER A 57 -10.038 -1.898 -11.151 1.00 0.00 C ATOM 802 O SER A 57 -10.971 -1.095 -11.152 1.00 0.00 O ATOM 803 CB SER A 57 -7.861 -1.720 -12.369 1.00 0.00 C ATOM 804 OG SER A 57 -7.826 -0.368 -11.945 1.00 0.00 O ATOM 0 H SER A 57 -9.416 -1.030 -14.152 1.00 0.00 H new ATOM 0 HA SER A 57 -9.282 -3.322 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.284 -2.336 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.389 -1.810 -13.348 1.00 0.00 H new ATOM 0 HG SER A 57 -7.289 -0.295 -11.128 1.00 0.00 H new ATOM 810 N GLU A 58 -9.615 -2.514 -10.052 1.00 0.00 N ATOM 811 CA GLU A 58 -10.238 -2.276 -8.755 1.00 0.00 C ATOM 812 C GLU A 58 -9.941 -0.865 -8.260 1.00 0.00 C ATOM 813 O GLU A 58 -10.829 -0.169 -7.766 1.00 0.00 O ATOM 814 CB GLU A 58 -9.745 -3.302 -7.732 1.00 0.00 C ATOM 815 CG GLU A 58 -10.515 -4.613 -7.765 1.00 0.00 C ATOM 816 CD GLU A 58 -10.942 -5.073 -6.385 1.00 0.00 C ATOM 817 OE1 GLU A 58 -11.584 -4.280 -5.666 1.00 0.00 O ATOM 818 OE2 GLU A 58 -10.632 -6.228 -6.024 1.00 0.00 O ATOM 0 H GLU A 58 -8.844 -3.181 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.316 -2.381 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.690 -3.505 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.819 -2.872 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.397 -4.496 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.895 -5.383 -8.225 1.00 0.00 H new ATOM 825 N ALA A 59 -8.686 -0.448 -8.394 1.00 0.00 N ATOM 826 CA ALA A 59 -8.272 0.881 -7.960 1.00 0.00 C ATOM 827 C ALA A 59 -9.059 1.966 -8.687 1.00 0.00 C ATOM 828 O ALA A 59 -9.330 3.030 -8.130 1.00 0.00 O ATOM 829 CB ALA A 59 -6.780 1.068 -8.188 1.00 0.00 C ATOM 0 H ALA A 59 -7.939 -1.011 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.481 0.970 -6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.484 2.064 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.228 0.320 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.557 0.954 -9.249 1.00 0.00 H new ATOM 835 N GLU A 60 -9.426 1.689 -9.934 1.00 0.00 N ATOM 836 CA GLU A 60 -10.184 2.641 -10.738 1.00 0.00 C ATOM 837 C GLU A 60 -11.635 2.710 -10.276 1.00 0.00 C ATOM 838 O GLU A 60 -12.270 3.762 -10.349 1.00 0.00 O ATOM 839 CB GLU A 60 -10.124 2.252 -12.216 1.00 0.00 C ATOM 840 CG GLU A 60 -10.360 3.418 -13.162 1.00 0.00 C ATOM 841 CD GLU A 60 -11.717 3.358 -13.836 1.00 0.00 C ATOM 842 OE1 GLU A 60 -12.663 2.825 -13.219 1.00 0.00 O ATOM 843 OE2 GLU A 60 -11.833 3.842 -14.982 1.00 0.00 O ATOM 0 H GLU A 60 -9.211 0.813 -10.410 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.735 3.626 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.149 1.814 -12.429 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.869 1.481 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.275 4.353 -12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.580 3.426 -13.924 1.00 0.00 H new ATOM 850 N GLY A 61 -12.154 1.582 -9.803 1.00 0.00 N ATOM 851 CA GLY A 61 -13.528 1.537 -9.337 1.00 0.00 C ATOM 852 C GLY A 61 -13.680 2.058 -7.921 1.00 0.00 C ATOM 853 O GLY A 61 -14.735 2.573 -7.553 1.00 0.00 O ATOM 0 H GLY A 61 -11.648 0.699 -9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.154 2.126 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.890 0.510 -9.383 1.00 0.00 H new ATOM 857 N SER A 62 -12.623 1.922 -7.127 1.00 0.00 N ATOM 858 CA SER A 62 -12.644 2.382 -5.743 1.00 0.00 C ATOM 859 C SER A 62 -12.795 3.899 -5.676 1.00 0.00 C ATOM 860 O SER A 62 -13.710 4.414 -5.034 1.00 0.00 O ATOM 861 CB SER A 62 -11.366 1.952 -5.022 1.00 0.00 C ATOM 862 OG SER A 62 -11.604 1.745 -3.640 1.00 0.00 O ATOM 0 H SER A 62 -11.742 1.498 -7.418 1.00 0.00 H new ATOM 0 HA SER A 62 -13.502 1.928 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.984 1.035 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.598 2.714 -5.152 1.00 0.00 H new ATOM 0 HG SER A 62 -12.280 1.045 -3.526 1.00 0.00 H new ATOM 868 N GLY A 63 -11.890 4.608 -6.343 1.00 0.00 N ATOM 869 CA GLY A 63 -11.941 6.059 -6.346 1.00 0.00 C ATOM 870 C GLY A 63 -10.578 6.687 -6.133 1.00 0.00 C ATOM 871 O GLY A 63 -10.388 7.475 -5.206 1.00 0.00 O ATOM 0 H GLY A 63 -11.123 4.205 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.352 6.403 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.620 6.397 -5.563 1.00 0.00 H new ATOM 875 N LEU A 64 -9.627 6.339 -6.994 1.00 0.00 N ATOM 876 CA LEU A 64 -8.274 6.875 -6.896 1.00 0.00 C ATOM 877 C LEU A 64 -8.008 7.885 -8.008 1.00 0.00 C ATOM 878 O LEU A 64 -8.815 8.043 -8.923 1.00 0.00 O ATOM 879 CB LEU A 64 -7.248 5.741 -6.962 1.00 0.00 C ATOM 880 CG LEU A 64 -6.868 5.133 -5.611 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.447 3.681 -5.780 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.755 5.941 -4.959 1.00 0.00 C ATOM 0 H LEU A 64 -9.768 5.689 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.179 7.385 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.643 4.951 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.344 6.117 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.742 5.163 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.180 3.264 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.272 3.110 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.587 3.627 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.496 5.495 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.878 5.941 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.092 6.966 -4.804 1.00 0.00 H new ATOM 894 N LYS A 65 -6.869 8.565 -7.922 1.00 0.00 N ATOM 895 CA LYS A 65 -6.495 9.559 -8.920 1.00 0.00 C ATOM 896 C LYS A 65 -5.002 9.493 -9.223 1.00 0.00 C ATOM 897 O LYS A 65 -4.280 8.671 -8.657 1.00 0.00 O ATOM 898 CB LYS A 65 -6.866 10.963 -8.437 1.00 0.00 C ATOM 899 CG LYS A 65 -8.311 11.341 -8.719 1.00 0.00 C ATOM 900 CD LYS A 65 -9.103 11.529 -7.434 1.00 0.00 C ATOM 901 CE LYS A 65 -10.058 12.709 -7.531 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.479 12.270 -7.598 1.00 0.00 N ATOM 0 H LYS A 65 -6.189 8.445 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.044 9.340 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.685 11.029 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.209 11.689 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.339 12.261 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.779 10.565 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.666 10.621 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.416 11.684 -6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.920 13.360 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.818 13.298 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.097 13.104 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.618 11.670 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.716 11.729 -6.742 1.00 0.00 H new ATOM 916 N VAL A 66 -4.545 10.361 -10.118 1.00 0.00 N ATOM 917 CA VAL A 66 -3.138 10.401 -10.496 1.00 0.00 C ATOM 918 C VAL A 66 -2.399 11.505 -9.745 1.00 0.00 C ATOM 919 O VAL A 66 -2.505 12.681 -10.090 1.00 0.00 O ATOM 920 CB VAL A 66 -2.968 10.623 -12.011 1.00 0.00 C ATOM 921 CG1 VAL A 66 -3.306 9.354 -12.778 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.829 11.786 -12.482 1.00 0.00 C ATOM 0 H VAL A 66 -5.129 11.047 -10.596 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.711 9.434 -10.229 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.925 10.872 -12.208 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.180 9.530 -13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.641 8.550 -12.462 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.339 9.071 -12.576 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.695 11.927 -13.555 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.877 11.571 -12.272 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.533 12.694 -11.957 1.00 0.00 H new ATOM 932 N GLY A 67 -1.652 11.116 -8.718 1.00 0.00 N ATOM 933 CA GLY A 67 -0.907 12.083 -7.935 1.00 0.00 C ATOM 934 C GLY A 67 -0.922 11.768 -6.451 1.00 0.00 C ATOM 935 O GLY A 67 -0.065 12.237 -5.702 1.00 0.00 O ATOM 0 H GLY A 67 -1.549 10.148 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.125 12.112 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.327 13.076 -8.096 1.00 0.00 H new ATOM 939 N ASP A 68 -1.899 10.972 -6.023 1.00 0.00 N ATOM 940 CA ASP A 68 -2.022 10.596 -4.619 1.00 0.00 C ATOM 941 C ASP A 68 -0.737 9.949 -4.110 1.00 0.00 C ATOM 942 O ASP A 68 0.005 9.332 -4.874 1.00 0.00 O ATOM 943 CB ASP A 68 -3.198 9.636 -4.429 1.00 0.00 C ATOM 944 CG ASP A 68 -4.530 10.358 -4.379 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.574 11.488 -3.849 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.529 9.793 -4.871 1.00 0.00 O ATOM 0 H ASP A 68 -2.617 10.575 -6.630 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.202 11.503 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.210 8.914 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.058 9.072 -3.507 1.00 0.00 H new ATOM 951 N GLN A 69 -0.480 10.094 -2.813 1.00 0.00 N ATOM 952 CA GLN A 69 0.714 9.525 -2.200 1.00 0.00 C ATOM 953 C GLN A 69 0.346 8.410 -1.227 1.00 0.00 C ATOM 954 O GLN A 69 -0.168 8.666 -0.138 1.00 0.00 O ATOM 955 CB GLN A 69 1.507 10.611 -1.472 1.00 0.00 C ATOM 956 CG GLN A 69 2.996 10.321 -1.383 1.00 0.00 C ATOM 957 CD GLN A 69 3.325 9.283 -0.328 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.683 9.220 0.721 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.331 8.459 -0.600 1.00 0.00 N ATOM 0 H GLN A 69 -1.084 10.601 -2.166 1.00 0.00 H new ATOM 0 HA GLN A 69 1.333 9.103 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.361 11.562 -1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.107 10.727 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.354 9.974 -2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.530 11.244 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.837 8.545 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.597 7.740 0.073 1.00 0.00 H new ATOM 968 N ILE A 70 0.614 7.171 -1.627 1.00 0.00 N ATOM 969 CA ILE A 70 0.312 6.016 -0.790 1.00 0.00 C ATOM 970 C ILE A 70 1.147 6.033 0.487 1.00 0.00 C ATOM 971 O ILE A 70 2.360 5.825 0.451 1.00 0.00 O ATOM 972 CB ILE A 70 0.567 4.694 -1.541 1.00 0.00 C ATOM 973 CG1 ILE A 70 -0.139 4.707 -2.898 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.099 3.511 -0.706 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.682 4.096 -4.012 1.00 0.00 C ATOM 0 H ILE A 70 1.039 6.941 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.745 6.078 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 70 1.639 4.592 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.081 4.166 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.385 5.736 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.286 2.585 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.644 3.494 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.968 3.606 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.119 4.139 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.613 4.651 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.906 3.057 -3.771 1.00 0.00 H new ATOM 987 N LEU A 71 0.488 6.280 1.615 1.00 0.00 N ATOM 988 CA LEU A 71 1.169 6.324 2.903 1.00 0.00 C ATOM 989 C LEU A 71 1.537 4.920 3.372 1.00 0.00 C ATOM 990 O LEU A 71 2.675 4.665 3.767 1.00 0.00 O ATOM 991 CB LEU A 71 0.286 7.008 3.948 1.00 0.00 C ATOM 992 CG LEU A 71 -0.264 8.375 3.538 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.333 8.836 4.515 1.00 0.00 C ATOM 994 CD2 LEU A 71 0.860 9.396 3.452 1.00 0.00 C ATOM 0 H LEU A 71 -0.516 6.453 1.662 1.00 0.00 H new ATOM 0 HA LEU A 71 2.087 6.899 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.552 6.351 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.861 7.126 4.866 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.720 8.282 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.712 9.810 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.151 8.115 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.904 8.913 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.451 10.363 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.345 9.486 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.591 9.071 2.711 1.00 0.00 H new ATOM 1006 N GLU A 72 0.568 4.013 3.325 1.00 0.00 N ATOM 1007 CA GLU A 72 0.791 2.634 3.746 1.00 0.00 C ATOM 1008 C GLU A 72 -0.242 1.701 3.121 1.00 0.00 C ATOM 1009 O GLU A 72 -1.293 2.143 2.657 1.00 0.00 O ATOM 1010 CB GLU A 72 0.735 2.527 5.270 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.545 3.084 5.872 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.340 4.432 6.536 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.743 4.649 7.119 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.264 5.271 6.472 1.00 0.00 O ATOM 0 H GLU A 72 -0.379 4.207 3.000 1.00 0.00 H new ATOM 0 HA GLU A 72 1.781 2.333 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.836 1.480 5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.587 3.057 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.298 3.179 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.934 2.378 6.605 1.00 0.00 H new ATOM 1021 N VAL A 73 0.066 0.408 3.115 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.835 -0.590 2.550 1.00 0.00 C ATOM 1023 C VAL A 73 -0.847 -1.859 3.393 1.00 0.00 C ATOM 1024 O VAL A 73 0.203 -2.433 3.684 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.439 -0.952 1.106 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.503 -1.828 0.463 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.206 0.306 0.284 1.00 0.00 C ATOM 0 H VAL A 73 0.932 0.027 3.495 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.832 -0.149 2.546 1.00 0.00 H new ATOM 0 HB VAL A 73 0.493 -1.516 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.205 -2.073 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.615 -2.747 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.453 -1.293 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.073 0.030 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.120 0.900 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.596 0.891 0.734 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.041 -2.294 3.785 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.188 -3.496 4.596 1.00 0.00 C ATOM 1039 C ASN A 74 -1.455 -3.348 5.926 1.00 0.00 C ATOM 1040 O ASN A 74 -0.964 -4.327 6.487 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.654 -4.714 3.840 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.702 -5.342 2.944 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.708 -5.870 3.421 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.472 -5.291 1.637 1.00 0.00 N ATOM 0 H ASN A 74 -2.920 -1.831 3.554 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.249 -3.639 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.796 -4.417 3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.300 -5.456 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.142 -5.699 0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.625 -4.844 1.285 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.388 -2.118 6.425 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.714 -1.865 7.685 1.00 0.00 C ATOM 1053 C GLY A 75 0.795 -1.919 7.556 1.00 0.00 C ATOM 1054 O GLY A 75 1.495 -2.243 8.515 1.00 0.00 O ATOM 0 H GLY A 75 -1.788 -1.292 5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.009 -0.885 8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.039 -2.600 8.421 1.00 0.00 H new ATOM 1058 N ARG A 76 1.298 -1.602 6.367 1.00 0.00 N ATOM 1059 CA ARG A 76 2.734 -1.615 6.114 1.00 0.00 C ATOM 1060 C ARG A 76 3.204 -0.269 5.573 1.00 0.00 C ATOM 1061 O ARG A 76 2.551 0.329 4.719 1.00 0.00 O ATOM 1062 CB ARG A 76 3.090 -2.728 5.126 1.00 0.00 C ATOM 1063 CG ARG A 76 4.584 -2.978 5.004 1.00 0.00 C ATOM 1064 CD ARG A 76 4.898 -4.465 4.943 1.00 0.00 C ATOM 1065 NE ARG A 76 6.336 -4.722 4.964 1.00 0.00 N ATOM 1066 CZ ARG A 76 7.128 -4.601 3.900 1.00 0.00 C ATOM 1067 NH1 ARG A 76 6.625 -4.227 2.730 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.424 -4.855 4.008 1.00 0.00 N ATOM 0 H ARG A 76 0.731 -1.333 5.563 1.00 0.00 H new ATOM 0 HA ARG A 76 3.242 -1.803 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.600 -3.650 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.691 -2.472 4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.964 -2.488 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.099 -2.531 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.427 -4.970 5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.467 -4.890 4.036 1.00 0.00 H new ATOM 0 HE ARG A 76 6.759 -5.011 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.628 -4.031 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.236 -4.136 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.814 -5.143 4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.031 -4.763 3.194 1.00 0.00 H new ATOM 1082 N SER A 77 4.342 0.201 6.076 1.00 0.00 N ATOM 1083 CA SER A 77 4.899 1.477 5.643 1.00 0.00 C ATOM 1084 C SER A 77 5.298 1.424 4.171 1.00 0.00 C ATOM 1085 O SER A 77 6.086 0.573 3.762 1.00 0.00 O ATOM 1086 CB SER A 77 6.111 1.845 6.503 1.00 0.00 C ATOM 1087 OG SER A 77 5.887 3.054 7.207 1.00 0.00 O ATOM 0 H SER A 77 4.895 -0.283 6.783 1.00 0.00 H new ATOM 0 HA SER A 77 4.132 2.242 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.317 1.041 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.993 1.947 5.870 1.00 0.00 H new ATOM 0 HG SER A 77 6.674 3.267 7.750 1.00 0.00 H new ATOM 1093 N PHE A 78 4.748 2.340 3.382 1.00 0.00 N ATOM 1094 CA PHE A 78 5.045 2.399 1.955 1.00 0.00 C ATOM 1095 C PHE A 78 5.863 3.644 1.622 1.00 0.00 C ATOM 1096 O PHE A 78 5.754 4.196 0.526 1.00 0.00 O ATOM 1097 CB PHE A 78 3.748 2.389 1.143 1.00 0.00 C ATOM 1098 CG PHE A 78 3.464 1.068 0.485 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.181 -0.053 1.248 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.479 0.950 -0.895 1.00 0.00 C ATOM 1101 CE1 PHE A 78 2.919 -1.270 0.645 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.217 -0.264 -1.504 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.937 -1.375 -0.732 1.00 0.00 C ATOM 0 H PHE A 78 4.094 3.052 3.706 1.00 0.00 H new ATOM 0 HA PHE A 78 5.634 1.520 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.916 2.646 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.802 3.163 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.165 0.024 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.698 1.816 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.701 -2.137 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.231 -0.343 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.732 -2.324 -1.205 1.00 0.00 H new ATOM 1113 N LEU A 79 6.682 4.081 2.573 1.00 0.00 N ATOM 1114 CA LEU A 79 7.517 5.261 2.379 1.00 0.00 C ATOM 1115 C LEU A 79 8.948 4.863 2.032 1.00 0.00 C ATOM 1116 O LEU A 79 9.577 5.465 1.162 1.00 0.00 O ATOM 1117 CB LEU A 79 7.508 6.130 3.637 1.00 0.00 C ATOM 1118 CG LEU A 79 6.266 7.004 3.810 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.040 7.327 5.279 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.398 8.283 2.997 1.00 0.00 C ATOM 0 H LEU A 79 6.785 3.636 3.485 1.00 0.00 H new ATOM 0 HA LEU A 79 7.106 5.834 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.602 5.482 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.387 6.774 3.622 1.00 0.00 H new ATOM 0 HG LEU A 79 5.402 6.450 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.151 7.950 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.901 6.402 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.905 7.861 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.505 8.894 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.272 8.840 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.511 8.033 1.942 1.00 0.00 H new ATOM 1132 N ASN A 80 9.457 3.844 2.717 1.00 0.00 N ATOM 1133 CA ASN A 80 10.815 3.366 2.480 1.00 0.00 C ATOM 1134 C ASN A 80 10.799 1.975 1.853 1.00 0.00 C ATOM 1135 O ASN A 80 11.689 1.162 2.101 1.00 0.00 O ATOM 1136 CB ASN A 80 11.604 3.337 3.791 1.00 0.00 C ATOM 1137 CG ASN A 80 10.858 2.619 4.899 1.00 0.00 C ATOM 1138 OD1 ASN A 80 9.950 3.178 5.516 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.239 1.375 5.159 1.00 0.00 N ATOM 0 H ASN A 80 8.950 3.334 3.440 1.00 0.00 H new ATOM 0 HA ASN A 80 11.300 4.053 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.562 2.845 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.820 4.358 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.775 0.843 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.996 0.951 4.623 1.00 0.00 H new ATOM 1146 N ILE A 81 9.783 1.711 1.038 1.00 0.00 N ATOM 1147 CA ILE A 81 9.653 0.420 0.374 1.00 0.00 C ATOM 1148 C ILE A 81 10.266 0.456 -1.023 1.00 0.00 C ATOM 1149 O ILE A 81 10.210 1.477 -1.710 1.00 0.00 O ATOM 1150 CB ILE A 81 8.176 -0.011 0.270 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.068 -1.413 -0.334 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.385 0.991 -0.559 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.932 -2.232 0.238 1.00 0.00 C ATOM 0 H ILE A 81 9.038 2.374 0.822 1.00 0.00 H new ATOM 0 HA ILE A 81 10.192 -0.307 0.982 1.00 0.00 H new ATOM 0 HB ILE A 81 7.753 -0.036 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.935 -1.326 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.006 -1.944 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.345 0.671 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.435 1.973 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.808 1.048 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.916 -3.213 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.074 -2.350 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.986 -1.723 0.051 1.00 0.00 H new ATOM 1165 N LEU A 82 10.851 -0.663 -1.437 1.00 0.00 N ATOM 1166 CA LEU A 82 11.474 -0.759 -2.752 1.00 0.00 C ATOM 1167 C LEU A 82 10.437 -0.599 -3.858 1.00 0.00 C ATOM 1168 O LEU A 82 9.253 -0.872 -3.658 1.00 0.00 O ATOM 1169 CB LEU A 82 12.194 -2.100 -2.901 1.00 0.00 C ATOM 1170 CG LEU A 82 13.292 -2.363 -1.870 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.446 -3.856 -1.624 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.611 -1.758 -2.331 1.00 0.00 C ATOM 0 H LEU A 82 10.907 -1.516 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 82 12.201 0.048 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.457 -2.900 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.633 -2.151 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 82 13.005 -1.889 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.232 -4.024 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.506 -4.262 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.711 -4.353 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.382 -1.954 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.903 -2.204 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.493 -0.682 -2.456 1.00 0.00 H new ATOM 1184 N HIS A 83 10.889 -0.155 -5.026 1.00 0.00 N ATOM 1185 CA HIS A 83 10.000 0.042 -6.166 1.00 0.00 C ATOM 1186 C HIS A 83 9.401 -1.284 -6.623 1.00 0.00 C ATOM 1187 O HIS A 83 8.181 -1.424 -6.724 1.00 0.00 O ATOM 1188 CB HIS A 83 10.756 0.698 -7.321 1.00 0.00 C ATOM 1189 CG HIS A 83 9.858 1.275 -8.372 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.493 1.390 -8.215 1.00 0.00 N ATOM 1191 CD2 HIS A 83 10.135 1.769 -9.602 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.970 1.930 -9.301 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.945 2.170 -10.158 1.00 0.00 N ATOM 0 H HIS A 83 11.866 0.075 -5.208 1.00 0.00 H new ATOM 0 HA HIS A 83 9.188 0.699 -5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.393 1.489 -6.925 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.413 -0.040 -7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.111 1.835 -10.061 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.923 2.140 -9.461 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.833 2.586 -11.083 1.00 0.00 H new ATOM 1202 N ASP A 84 10.266 -2.255 -6.899 1.00 0.00 N ATOM 1203 CA ASP A 84 9.822 -3.570 -7.346 1.00 0.00 C ATOM 1204 C ASP A 84 9.013 -4.270 -6.260 1.00 0.00 C ATOM 1205 O ASP A 84 8.071 -5.006 -6.550 1.00 0.00 O ATOM 1206 CB ASP A 84 11.025 -4.431 -7.737 1.00 0.00 C ATOM 1207 CG ASP A 84 11.604 -4.038 -9.082 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.818 -3.831 -10.030 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.845 -3.936 -9.186 1.00 0.00 O ATOM 0 H ASP A 84 11.278 -2.156 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 84 9.182 -3.433 -8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.796 -4.341 -6.972 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.725 -5.478 -7.766 1.00 0.00 H new ATOM 1214 N GLU A 85 9.388 -4.036 -5.007 1.00 0.00 N ATOM 1215 CA GLU A 85 8.697 -4.643 -3.876 1.00 0.00 C ATOM 1216 C GLU A 85 7.269 -4.118 -3.763 1.00 0.00 C ATOM 1217 O GLU A 85 6.357 -4.850 -3.380 1.00 0.00 O ATOM 1218 CB GLU A 85 9.458 -4.366 -2.578 1.00 0.00 C ATOM 1219 CG GLU A 85 8.922 -5.137 -1.382 1.00 0.00 C ATOM 1220 CD GLU A 85 9.816 -5.016 -0.163 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.096 -3.874 0.257 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.235 -6.064 0.371 1.00 0.00 O ATOM 0 H GLU A 85 10.167 -3.430 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 85 8.657 -5.719 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.509 -4.619 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.414 -3.299 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.925 -4.771 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.818 -6.189 -1.649 1.00 0.00 H new ATOM 1229 N ALA A 86 7.084 -2.846 -4.100 1.00 0.00 N ATOM 1230 CA ALA A 86 5.767 -2.223 -4.037 1.00 0.00 C ATOM 1231 C ALA A 86 4.824 -2.827 -5.070 1.00 0.00 C ATOM 1232 O ALA A 86 3.659 -3.100 -4.777 1.00 0.00 O ATOM 1233 CB ALA A 86 5.885 -0.720 -4.240 1.00 0.00 C ATOM 0 H ALA A 86 7.829 -2.227 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 86 5.349 -2.413 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.895 -0.267 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.517 -0.296 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.328 -0.518 -5.215 1.00 0.00 H new ATOM 1239 N VAL A 87 5.332 -3.033 -6.281 1.00 0.00 N ATOM 1240 CA VAL A 87 4.534 -3.605 -7.358 1.00 0.00 C ATOM 1241 C VAL A 87 4.195 -5.064 -7.076 1.00 0.00 C ATOM 1242 O VAL A 87 3.106 -5.534 -7.406 1.00 0.00 O ATOM 1243 CB VAL A 87 5.265 -3.512 -8.710 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.347 -3.933 -9.846 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.794 -2.103 -8.935 1.00 0.00 C ATOM 0 H VAL A 87 6.293 -2.812 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 87 3.613 -3.024 -7.411 1.00 0.00 H new ATOM 0 HB VAL A 87 6.114 -4.195 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.883 -3.860 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.024 -4.962 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.475 -3.279 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.308 -2.056 -9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.963 -1.398 -8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.491 -1.844 -8.138 1.00 0.00 H new ATOM 1255 N ARG A 88 5.133 -5.777 -6.462 1.00 0.00 N ATOM 1256 CA ARG A 88 4.935 -7.184 -6.135 1.00 0.00 C ATOM 1257 C ARG A 88 4.011 -7.335 -4.931 1.00 0.00 C ATOM 1258 O ARG A 88 3.224 -8.279 -4.854 1.00 0.00 O ATOM 1259 CB ARG A 88 6.279 -7.860 -5.856 1.00 0.00 C ATOM 1260 CG ARG A 88 6.618 -8.969 -6.838 1.00 0.00 C ATOM 1261 CD ARG A 88 7.536 -8.474 -7.943 1.00 0.00 C ATOM 1262 NE ARG A 88 7.506 -9.349 -9.113 1.00 0.00 N ATOM 1263 CZ ARG A 88 8.013 -9.019 -10.299 1.00 0.00 C ATOM 1264 NH1 ARG A 88 8.590 -7.837 -10.476 1.00 0.00 N ATOM 1265 NH2 ARG A 88 7.944 -9.875 -11.310 1.00 0.00 N ATOM 0 H ARG A 88 6.039 -5.403 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 88 4.467 -7.670 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.067 -7.108 -5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.267 -8.271 -4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.097 -9.792 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.700 -9.362 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.240 -7.467 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.556 -8.409 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 88 7.071 -10.266 -9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.647 -7.176 -9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.977 -7.590 -11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.503 -10.785 -11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.332 -9.623 -12.219 1.00 0.00 H new ATOM 1279 N LEU A 89 4.114 -6.401 -3.992 1.00 0.00 N ATOM 1280 CA LEU A 89 3.289 -6.430 -2.790 1.00 0.00 C ATOM 1281 C LEU A 89 1.865 -5.974 -3.096 1.00 0.00 C ATOM 1282 O LEU A 89 0.897 -6.559 -2.610 1.00 0.00 O ATOM 1283 CB LEU A 89 3.899 -5.539 -1.707 1.00 0.00 C ATOM 1284 CG LEU A 89 3.152 -5.538 -0.372 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.132 -6.934 0.230 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.789 -4.548 0.592 1.00 0.00 C ATOM 0 H LEU A 89 4.761 -5.614 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 89 3.253 -7.458 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.926 -5.859 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.943 -4.516 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 89 2.122 -5.229 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.596 -6.913 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.631 -7.618 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.154 -7.273 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.246 -4.559 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.828 -4.828 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.750 -3.547 0.163 1.00 0.00 H new ATOM 1298 N LEU A 90 1.746 -4.927 -3.907 1.00 0.00 N ATOM 1299 CA LEU A 90 0.442 -4.393 -4.278 1.00 0.00 C ATOM 1300 C LEU A 90 -0.255 -5.304 -5.283 1.00 0.00 C ATOM 1301 O LEU A 90 -1.481 -5.406 -5.298 1.00 0.00 O ATOM 1302 CB LEU A 90 0.591 -2.987 -4.864 1.00 0.00 C ATOM 1303 CG LEU A 90 0.695 -1.863 -3.833 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.185 -0.581 -4.488 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.649 -1.638 -3.155 1.00 0.00 C ATOM 0 H LEU A 90 2.537 -4.432 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.170 -4.341 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.480 -2.965 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.263 -2.788 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 90 1.419 -2.157 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.253 0.208 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.168 -0.750 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.486 -0.281 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.558 -0.835 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.393 -1.365 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.960 -2.553 -2.651 1.00 0.00 H new ATOM 1317 N LYS A 91 0.536 -5.964 -6.122 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.005 -6.868 -7.132 1.00 0.00 C ATOM 1319 C LYS A 91 0.284 -8.322 -6.771 1.00 0.00 C ATOM 1320 O LYS A 91 1.132 -8.970 -7.384 1.00 0.00 O ATOM 1321 CB LYS A 91 0.585 -6.544 -8.506 1.00 0.00 C ATOM 1322 CG LYS A 91 0.610 -5.057 -8.823 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.794 -4.478 -8.887 1.00 0.00 C ATOM 1324 CE LYS A 91 -0.945 -3.509 -10.049 1.00 0.00 C ATOM 1325 NZ LYS A 91 -1.110 -4.219 -11.346 1.00 0.00 N ATOM 0 H LYS A 91 1.553 -5.890 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.086 -6.729 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.601 -6.935 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.006 -7.060 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.187 -4.531 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.115 -4.895 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.518 -5.287 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.020 -3.965 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.807 -2.865 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.069 -2.862 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.236 -4.131 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.308 -5.225 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.901 -3.798 -11.874 1.00 0.00 H new ATOM 1339 N SER A 92 -0.428 -8.830 -5.769 1.00 0.00 N ATOM 1340 CA SER A 92 -0.249 -10.207 -5.326 1.00 0.00 C ATOM 1341 C SER A 92 -1.253 -10.563 -4.235 1.00 0.00 C ATOM 1342 O SER A 92 -1.992 -11.541 -4.353 1.00 0.00 O ATOM 1343 CB SER A 92 1.176 -10.419 -4.813 1.00 0.00 C ATOM 1344 OG SER A 92 1.462 -11.797 -4.651 1.00 0.00 O ATOM 0 H SER A 92 -1.134 -8.308 -5.249 1.00 0.00 H new ATOM 0 HA SER A 92 -0.421 -10.862 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.886 -9.977 -5.512 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.303 -9.904 -3.861 1.00 0.00 H new ATOM 0 HG SER A 92 2.380 -11.904 -4.324 1.00 0.00 H new ATOM 1350 N SER A 93 -1.273 -9.766 -3.173 1.00 0.00 N ATOM 1351 CA SER A 93 -2.187 -9.997 -2.060 1.00 0.00 C ATOM 1352 C SER A 93 -3.638 -9.833 -2.505 1.00 0.00 C ATOM 1353 O SER A 93 -3.930 -9.091 -3.441 1.00 0.00 O ATOM 1354 CB SER A 93 -1.879 -9.035 -0.911 1.00 0.00 C ATOM 1355 OG SER A 93 -1.840 -9.718 0.330 1.00 0.00 O ATOM 0 H SER A 93 -0.667 -8.954 -3.059 1.00 0.00 H new ATOM 0 HA SER A 93 -2.047 -11.021 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.922 -8.545 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.637 -8.252 -0.875 1.00 0.00 H new ATOM 0 HG SER A 93 -1.640 -9.081 1.048 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.542 -10.531 -1.825 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.962 -10.463 -2.150 1.00 0.00 C ATOM 1363 C ARG A 94 -6.602 -9.223 -1.534 1.00 0.00 C ATOM 1364 O ARG A 94 -7.526 -8.642 -2.103 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.681 -11.719 -1.657 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.369 -12.072 -0.211 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.525 -13.333 -0.111 1.00 0.00 C ATOM 1368 NE ARG A 94 -6.312 -14.538 -0.361 1.00 0.00 N ATOM 1369 CZ ARG A 94 -5.880 -15.772 -0.106 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -4.672 -15.966 0.406 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -6.660 -16.812 -0.363 1.00 0.00 N ATOM 0 H ARG A 94 -4.317 -11.150 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.058 -10.400 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.756 -11.577 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.406 -12.559 -2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.842 -11.243 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.300 -12.212 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.706 -13.279 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.077 -13.392 0.881 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.247 -14.428 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.069 -15.168 0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.346 -16.913 0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.590 -16.667 -0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.330 -17.757 -0.168 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.103 -8.824 -0.369 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.625 -7.652 0.325 1.00 0.00 C ATOM 1387 C HIS A 95 -5.633 -6.495 0.257 1.00 0.00 C ATOM 1388 O HIS A 95 -4.478 -6.631 0.661 1.00 0.00 O ATOM 1389 CB HIS A 95 -6.935 -7.994 1.784 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.278 -7.514 2.239 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.161 -8.305 2.945 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.890 -6.316 2.086 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.257 -7.614 3.205 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.117 -6.405 2.695 1.00 0.00 N ATOM 0 H HIS A 95 -5.338 -9.295 0.115 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.546 -7.345 -0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.881 -9.075 1.915 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.167 -7.557 2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.488 -5.451 1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.120 -7.977 3.743 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.809 -5.657 2.745 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.091 -5.358 -0.256 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.242 -4.178 -0.376 1.00 0.00 C ATOM 1405 C LEU A 96 -5.939 -2.945 0.190 1.00 0.00 C ATOM 1406 O LEU A 96 -6.988 -2.532 -0.302 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.869 -3.940 -1.841 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.407 -5.185 -2.601 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.533 -4.970 -4.101 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -2.974 -5.535 -2.228 1.00 0.00 C ATOM 0 H LEU A 96 -7.044 -5.228 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.333 -4.355 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.732 -3.518 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.076 -3.193 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.048 -6.020 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.200 -5.865 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.574 -4.767 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.915 -4.123 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.661 -6.423 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.318 -4.702 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.914 -5.731 -1.157 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.345 -2.361 1.226 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.907 -1.175 1.861 1.00 0.00 C ATOM 1424 C ILE A 97 -4.953 0.011 1.748 1.00 0.00 C ATOM 1425 O ILE A 97 -4.337 0.423 2.732 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.224 -1.429 3.348 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.006 -2.735 3.512 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.001 -0.259 3.931 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.359 -3.711 4.470 1.00 0.00 C ATOM 0 H ILE A 97 -4.474 -2.690 1.643 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.834 -0.943 1.337 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.285 -1.522 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.011 -2.505 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.111 -3.211 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.217 -0.453 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.407 0.651 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.936 -0.135 3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.968 -4.613 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.364 -3.971 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.279 -3.254 5.456 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.834 0.554 0.540 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.954 1.690 0.298 1.00 0.00 C ATOM 1443 C LEU A 98 -4.450 2.930 1.035 1.00 0.00 C ATOM 1444 O LEU A 98 -5.630 3.272 0.971 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.861 1.978 -1.202 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.102 0.931 -2.019 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.051 -0.144 -2.530 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.365 1.590 -3.175 1.00 0.00 C ATOM 0 H LEU A 98 -5.336 0.225 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.963 1.437 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.871 2.066 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.377 2.945 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.367 0.455 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.491 -0.879 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.531 -0.637 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.811 0.313 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.830 0.831 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.082 2.094 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.654 2.318 -2.785 1.00 0.00 H new ATOM 1460 N THR A 99 -3.539 3.598 1.734 1.00 0.00 N ATOM 1461 CA THR A 99 -3.881 4.802 2.484 1.00 0.00 C ATOM 1462 C THR A 99 -3.203 6.029 1.882 1.00 0.00 C ATOM 1463 O THR A 99 -2.069 6.357 2.230 1.00 0.00 O ATOM 1464 CB THR A 99 -3.472 4.647 3.950 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.877 3.388 4.453 1.00 0.00 O ATOM 1466 CG2 THR A 99 -4.059 5.712 4.851 1.00 0.00 C ATOM 0 H THR A 99 -2.558 3.326 1.797 1.00 0.00 H new ATOM 0 HA THR A 99 -4.961 4.941 2.427 1.00 0.00 H new ATOM 0 HB THR A 99 -2.386 4.745 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.605 3.308 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.729 5.543 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.724 6.695 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.147 5.666 4.807 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.905 6.701 0.976 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.371 7.892 0.325 1.00 0.00 C ATOM 1476 C VAL A 100 -3.762 9.156 1.083 1.00 0.00 C ATOM 1477 O VAL A 100 -4.667 9.137 1.916 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.862 8.005 -1.131 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.353 6.834 -1.958 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.382 8.085 -1.180 1.00 0.00 C ATOM 0 H VAL A 100 -4.845 6.442 0.676 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.285 7.793 0.327 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.461 8.923 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.710 6.931 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.263 6.831 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.721 5.901 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.709 8.164 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.808 7.187 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.718 8.961 -0.625 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.074 10.254 0.786 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.351 11.529 1.438 1.00 0.00 C ATOM 1492 C LYS A 101 -3.889 12.546 0.438 1.00 0.00 C ATOM 1493 O LYS A 101 -3.616 12.457 -0.759 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.083 12.070 2.102 1.00 0.00 C ATOM 1495 CG LYS A 101 -0.888 12.139 1.167 1.00 0.00 C ATOM 1496 CD LYS A 101 0.361 12.614 1.894 1.00 0.00 C ATOM 1497 CE LYS A 101 0.466 14.131 1.896 1.00 0.00 C ATOM 1498 NZ LYS A 101 0.235 14.701 3.251 1.00 0.00 N ATOM 0 H LYS A 101 -2.321 10.286 0.099 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.111 11.362 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.285 13.067 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.831 11.438 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.706 11.155 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.109 12.815 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.346 12.249 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.244 12.188 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.453 14.427 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.261 14.546 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.315 15.737 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.717 14.440 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.945 14.325 3.912 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.655 13.510 0.937 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.232 14.545 0.087 1.00 0.00 C ATOM 1514 C ASP A 102 -4.140 15.383 -0.569 1.00 0.00 C ATOM 1515 O ASP A 102 -3.471 16.176 0.093 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.161 15.444 0.903 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.440 14.738 1.306 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -8.024 14.035 0.455 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -7.859 14.889 2.474 1.00 0.00 O ATOM 0 H ASP A 102 -4.891 13.596 1.926 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.809 14.056 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.640 15.784 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.407 16.332 0.320 1.00 0.00 H new