USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 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= 0.454 K(o=0.45,f=-4.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 174:sc= -0.813 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 10:sc= 0.182 USER MOD Single : A 57 SER OG : rot -92:sc= 0.378 USER MOD Single : A 62 SER OG : rot 120:sc= -0.417 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.399 K(o=-0.4,f=-3.2!) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.881 F(o=-2.2,f=-0.88) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.6!) USER MOD Single : A 83 HIS : no HD1:sc=-0.00408 X(o=-0.0041,f=-0.0032) USER MOD Single : A 91 LYS NZ :NH3+ -136:sc= -0.897 (180deg=-4.96!) 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 HE2:sc= -0.0291 X(o=-0.029,f=-0.38) USER MOD Single : A 99 THR OG1 : rot 69:sc= -0.165 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.548 10.776 7.008 1.00 0.00 N ATOM 272 CA GLU A 21 -6.061 9.593 6.306 1.00 0.00 C ATOM 273 C GLU A 21 -7.201 8.885 5.580 1.00 0.00 C ATOM 274 O GLU A 21 -8.235 8.581 6.174 1.00 0.00 O ATOM 275 CB GLU A 21 -5.390 8.632 7.289 1.00 0.00 C ATOM 276 CG GLU A 21 -3.889 8.836 7.409 1.00 0.00 C ATOM 277 CD GLU A 21 -3.529 9.971 8.347 1.00 0.00 C ATOM 278 OE1 GLU A 21 -3.580 9.764 9.577 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.196 11.068 7.850 1.00 0.00 O ATOM 0 HA GLU A 21 -5.328 9.914 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.845 8.755 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.585 7.607 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.428 7.915 7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.473 9.039 6.422 1.00 0.00 H new ATOM 286 N LYS A 22 -7.003 8.626 4.292 1.00 0.00 N ATOM 287 CA LYS A 22 -8.014 7.953 3.484 1.00 0.00 C ATOM 288 C LYS A 22 -7.592 6.524 3.163 1.00 0.00 C ATOM 289 O LYS A 22 -6.609 6.300 2.458 1.00 0.00 O ATOM 290 CB LYS A 22 -8.262 8.728 2.188 1.00 0.00 C ATOM 291 CG LYS A 22 -9.414 8.180 1.363 1.00 0.00 C ATOM 292 CD LYS A 22 -9.813 9.143 0.256 1.00 0.00 C ATOM 293 CE LYS A 22 -9.219 8.734 -1.082 1.00 0.00 C ATOM 294 NZ LYS A 22 -9.192 9.866 -2.048 1.00 0.00 N ATOM 0 H LYS A 22 -6.153 8.872 3.785 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.939 7.918 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.464 9.771 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.354 8.711 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.128 7.222 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.271 7.993 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.900 9.178 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.480 10.149 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.206 8.362 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.801 7.913 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.780 9.545 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.161 10.205 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.616 10.640 -1.660 1.00 0.00 H new ATOM 308 N LYS A 23 -8.343 5.559 3.685 1.00 0.00 N ATOM 309 CA LYS A 23 -8.048 4.150 3.453 1.00 0.00 C ATOM 310 C LYS A 23 -8.938 3.583 2.352 1.00 0.00 C ATOM 311 O LYS A 23 -10.165 3.629 2.447 1.00 0.00 O ATOM 312 CB LYS A 23 -8.234 3.349 4.745 1.00 0.00 C ATOM 313 CG LYS A 23 -6.958 2.692 5.243 1.00 0.00 C ATOM 314 CD LYS A 23 -6.927 2.612 6.761 1.00 0.00 C ATOM 315 CE LYS A 23 -6.336 1.296 7.237 1.00 0.00 C ATOM 316 NZ LYS A 23 -6.012 1.327 8.691 1.00 0.00 N ATOM 0 H LYS A 23 -9.160 5.728 4.271 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.010 4.068 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.618 4.011 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.988 2.580 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.876 1.689 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.095 3.257 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.340 3.440 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.938 2.721 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.041 0.489 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.432 1.077 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.611 0.411 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.320 2.081 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.879 1.511 9.236 1.00 0.00 H new ATOM 330 N VAL A 24 -8.313 3.050 1.307 1.00 0.00 N ATOM 331 CA VAL A 24 -9.049 2.475 0.188 1.00 0.00 C ATOM 332 C VAL A 24 -8.857 0.964 0.121 1.00 0.00 C ATOM 333 O VAL A 24 -7.926 0.474 -0.517 1.00 0.00 O ATOM 334 CB VAL A 24 -8.610 3.096 -1.153 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.497 2.605 -2.288 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.629 4.616 -1.072 1.00 0.00 C ATOM 0 H VAL A 24 -7.298 3.005 1.212 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.103 2.698 0.356 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.588 2.779 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.171 3.055 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.426 1.520 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.531 2.888 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.316 5.035 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.638 4.955 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.946 4.947 -0.290 1.00 0.00 H new ATOM 346 N ASN A 25 -9.744 0.230 0.785 1.00 0.00 N ATOM 347 CA ASN A 25 -9.672 -1.227 0.801 1.00 0.00 C ATOM 348 C ASN A 25 -10.199 -1.811 -0.505 1.00 0.00 C ATOM 349 O ASN A 25 -11.354 -1.595 -0.872 1.00 0.00 O ATOM 350 CB ASN A 25 -10.470 -1.785 1.980 1.00 0.00 C ATOM 351 CG ASN A 25 -11.899 -1.282 2.002 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.147 -0.078 1.927 1.00 0.00 O ATOM 353 ND2 ASN A 25 -12.850 -2.203 2.105 1.00 0.00 N ATOM 0 H ASN A 25 -10.521 0.620 1.319 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.626 -1.513 0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.472 -2.874 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.977 -1.509 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.831 -1.923 2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.600 -3.190 2.165 1.00 0.00 H new ATOM 360 N LEU A 26 -9.344 -2.550 -1.204 1.00 0.00 N ATOM 361 CA LEU A 26 -9.724 -3.165 -2.472 1.00 0.00 C ATOM 362 C LEU A 26 -9.661 -4.686 -2.381 1.00 0.00 C ATOM 363 O LEU A 26 -8.594 -5.261 -2.162 1.00 0.00 O ATOM 364 CB LEU A 26 -8.809 -2.671 -3.596 1.00 0.00 C ATOM 365 CG LEU A 26 -8.927 -1.181 -3.919 1.00 0.00 C ATOM 366 CD1 LEU A 26 -7.817 -0.751 -4.865 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.291 -0.872 -4.517 1.00 0.00 C ATOM 0 H LEU A 26 -8.384 -2.738 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.751 -2.876 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.776 -2.888 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.028 -3.241 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.824 -0.618 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.917 0.312 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.849 -0.936 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.888 -1.320 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.357 0.193 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.424 -1.445 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.070 -1.142 -3.805 1.00 0.00 H new ATOM 379 N VAL A 27 -10.810 -5.332 -2.552 1.00 0.00 N ATOM 380 CA VAL A 27 -10.885 -6.787 -2.491 1.00 0.00 C ATOM 381 C VAL A 27 -10.666 -7.404 -3.867 1.00 0.00 C ATOM 382 O VAL A 27 -11.605 -7.554 -4.648 1.00 0.00 O ATOM 383 CB VAL A 27 -12.244 -7.257 -1.940 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.233 -8.758 -1.699 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.592 -6.506 -0.664 1.00 0.00 C ATOM 0 H VAL A 27 -11.701 -4.871 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.095 -7.118 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.011 -7.038 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.202 -9.071 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.034 -9.276 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.455 -9.005 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.556 -6.852 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.824 -6.689 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.646 -5.438 -0.874 1.00 0.00 H new ATOM 395 N LEU A 28 -9.418 -7.759 -4.160 1.00 0.00 N ATOM 396 CA LEU A 28 -9.073 -8.360 -5.444 1.00 0.00 C ATOM 397 C LEU A 28 -9.870 -9.639 -5.680 1.00 0.00 C ATOM 398 O LEU A 28 -9.970 -10.493 -4.799 1.00 0.00 O ATOM 399 CB LEU A 28 -7.574 -8.659 -5.505 1.00 0.00 C ATOM 400 CG LEU A 28 -6.675 -7.429 -5.648 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.211 -7.823 -5.531 1.00 0.00 C ATOM 402 CD2 LEU A 28 -6.938 -6.726 -6.973 1.00 0.00 C ATOM 0 H LEU A 28 -8.629 -7.641 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.326 -7.647 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.289 -9.196 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.386 -9.328 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.909 -6.735 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.586 -6.936 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.034 -8.280 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.962 -8.536 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.290 -5.854 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.733 -7.411 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.980 -6.409 -7.016 1.00 0.00 H new ATOM 464 N SER A 33 -5.728 -7.790 -10.000 1.00 0.00 N ATOM 465 CA SER A 33 -4.701 -6.754 -10.018 1.00 0.00 C ATOM 466 C SER A 33 -5.305 -5.384 -9.727 1.00 0.00 C ATOM 467 O SER A 33 -6.521 -5.201 -9.801 1.00 0.00 O ATOM 468 CB SER A 33 -3.992 -6.733 -11.374 1.00 0.00 C ATOM 469 OG SER A 33 -2.898 -7.634 -11.391 1.00 0.00 O ATOM 0 HA SER A 33 -3.975 -6.984 -9.239 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.698 -6.998 -12.161 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.640 -5.724 -11.588 1.00 0.00 H new ATOM 0 HG SER A 33 -2.463 -7.603 -12.268 1.00 0.00 H new ATOM 475 N LEU A 34 -4.448 -4.423 -9.397 1.00 0.00 N ATOM 476 CA LEU A 34 -4.896 -3.068 -9.096 1.00 0.00 C ATOM 477 C LEU A 34 -4.886 -2.200 -10.350 1.00 0.00 C ATOM 478 O LEU A 34 -5.809 -1.419 -10.584 1.00 0.00 O ATOM 479 CB LEU A 34 -4.004 -2.441 -8.022 1.00 0.00 C ATOM 480 CG LEU A 34 -4.093 -3.098 -6.643 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.179 -2.389 -5.656 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.530 -3.090 -6.143 1.00 0.00 C ATOM 0 H LEU A 34 -3.439 -4.558 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.919 -3.125 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.969 -2.482 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.266 -1.387 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.765 -4.134 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.255 -2.869 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.149 -2.445 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.477 -1.344 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.576 -3.561 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.884 -2.062 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.161 -3.642 -6.840 1.00 0.00 H new ATOM 494 N GLY A 35 -3.838 -2.342 -11.154 1.00 0.00 N ATOM 495 CA GLY A 35 -3.728 -1.565 -12.374 1.00 0.00 C ATOM 496 C GLY A 35 -3.358 -0.119 -12.110 1.00 0.00 C ATOM 497 O GLY A 35 -3.926 0.795 -12.709 1.00 0.00 O ATOM 0 H GLY A 35 -3.062 -2.982 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.977 -2.016 -13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.676 -1.602 -12.911 1.00 0.00 H new ATOM 501 N LEU A 36 -2.405 0.090 -11.208 1.00 0.00 N ATOM 502 CA LEU A 36 -1.959 1.436 -10.863 1.00 0.00 C ATOM 503 C LEU A 36 -0.487 1.627 -11.212 1.00 0.00 C ATOM 504 O LEU A 36 0.350 0.777 -10.906 1.00 0.00 O ATOM 505 CB LEU A 36 -2.182 1.704 -9.374 1.00 0.00 C ATOM 506 CG LEU A 36 -3.571 2.230 -9.011 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.744 2.283 -7.501 1.00 0.00 C ATOM 508 CD2 LEU A 36 -3.796 3.605 -9.623 1.00 0.00 C ATOM 0 H LEU A 36 -1.926 -0.655 -10.702 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.546 2.147 -11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.005 0.780 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.438 2.424 -9.035 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.316 1.546 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.738 2.660 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.626 1.282 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.992 2.945 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.789 3.965 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.045 4.299 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.715 3.538 -10.708 1.00 0.00 H new ATOM 520 N THR A 37 -0.176 2.750 -11.854 1.00 0.00 N ATOM 521 CA THR A 37 1.197 3.053 -12.243 1.00 0.00 C ATOM 522 C THR A 37 1.884 3.912 -11.188 1.00 0.00 C ATOM 523 O THR A 37 2.016 5.126 -11.351 1.00 0.00 O ATOM 524 CB THR A 37 1.219 3.768 -13.595 1.00 0.00 C ATOM 525 OG1 THR A 37 0.254 3.212 -14.472 1.00 0.00 O ATOM 526 CG2 THR A 37 2.563 3.698 -14.287 1.00 0.00 C ATOM 0 H THR A 37 -0.856 3.464 -12.115 1.00 0.00 H new ATOM 0 HA THR A 37 1.741 2.112 -12.329 1.00 0.00 H new ATOM 0 HB THR A 37 0.997 4.812 -13.374 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.215 3.743 -15.295 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.509 4.224 -15.240 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.321 4.164 -13.657 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.828 2.655 -14.463 1.00 0.00 H new ATOM 534 N ILE A 38 2.321 3.277 -10.106 1.00 0.00 N ATOM 535 CA ILE A 38 2.995 3.985 -9.024 1.00 0.00 C ATOM 536 C ILE A 38 4.437 4.310 -9.395 1.00 0.00 C ATOM 537 O ILE A 38 5.018 3.683 -10.282 1.00 0.00 O ATOM 538 CB ILE A 38 2.987 3.160 -7.722 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.606 1.782 -7.960 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.569 3.025 -7.189 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.165 1.145 -6.706 1.00 0.00 C ATOM 0 H ILE A 38 2.221 2.273 -9.955 1.00 0.00 H new ATOM 0 HA ILE A 38 2.445 4.912 -8.862 1.00 0.00 H new ATOM 0 HB ILE A 38 3.587 3.682 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.851 1.122 -8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.403 1.873 -8.698 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.580 2.440 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.161 4.015 -6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.948 2.523 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.588 0.170 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.944 1.784 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.367 1.021 -5.974 1.00 0.00 H new ATOM 553 N ARG A 39 5.010 5.296 -8.712 1.00 0.00 N ATOM 554 CA ARG A 39 6.386 5.706 -8.970 1.00 0.00 C ATOM 555 C ARG A 39 7.123 5.986 -7.665 1.00 0.00 C ATOM 556 O ARG A 39 6.509 6.092 -6.604 1.00 0.00 O ATOM 557 CB ARG A 39 6.412 6.949 -9.861 1.00 0.00 C ATOM 558 CG ARG A 39 5.666 8.136 -9.271 1.00 0.00 C ATOM 559 CD ARG A 39 6.418 9.437 -9.500 1.00 0.00 C ATOM 560 NE ARG A 39 6.397 9.841 -10.904 1.00 0.00 N ATOM 561 CZ ARG A 39 6.904 10.989 -11.352 1.00 0.00 C ATOM 562 NH1 ARG A 39 7.470 11.846 -10.512 1.00 0.00 N ATOM 563 NH2 ARG A 39 6.844 11.278 -12.644 1.00 0.00 N ATOM 0 H ARG A 39 4.543 5.826 -7.976 1.00 0.00 H new ATOM 0 HA ARG A 39 6.892 4.889 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.448 7.235 -10.042 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.976 6.701 -10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.675 8.204 -9.720 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.522 7.981 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.975 10.224 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.451 9.322 -9.171 1.00 0.00 H new ATOM 0 HE ARG A 39 5.970 9.208 -11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.519 11.628 -9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.856 12.723 -10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.410 10.622 -13.294 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.232 12.156 -12.989 1.00 0.00 H new ATOM 577 N GLY A 40 8.445 6.105 -7.751 1.00 0.00 N ATOM 578 CA GLY A 40 9.243 6.371 -6.569 1.00 0.00 C ATOM 579 C GLY A 40 9.554 5.114 -5.783 1.00 0.00 C ATOM 580 O GLY A 40 8.855 4.108 -5.908 1.00 0.00 O ATOM 0 H GLY A 40 8.977 6.022 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.176 6.850 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.713 7.075 -5.927 1.00 0.00 H new ATOM 584 N GLY A 41 10.604 5.170 -4.970 1.00 0.00 N ATOM 585 CA GLY A 41 10.986 4.020 -4.172 1.00 0.00 C ATOM 586 C GLY A 41 12.193 4.296 -3.298 1.00 0.00 C ATOM 587 O GLY A 41 12.715 5.411 -3.283 1.00 0.00 O ATOM 0 H GLY A 41 11.197 5.991 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.147 3.723 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.203 3.180 -4.832 1.00 0.00 H new ATOM 591 N ALA A 42 12.639 3.278 -2.568 1.00 0.00 N ATOM 592 CA ALA A 42 13.792 3.417 -1.687 1.00 0.00 C ATOM 593 C ALA A 42 15.081 3.565 -2.488 1.00 0.00 C ATOM 594 O ALA A 42 16.014 4.245 -2.061 1.00 0.00 O ATOM 595 CB ALA A 42 13.885 2.222 -0.749 1.00 0.00 C ATOM 0 H ALA A 42 12.219 2.348 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 42 13.659 4.322 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.750 2.338 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.980 2.163 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.991 1.308 -1.333 1.00 0.00 H new ATOM 601 N GLU A 43 15.126 2.924 -3.652 1.00 0.00 N ATOM 602 CA GLU A 43 16.302 2.985 -4.513 1.00 0.00 C ATOM 603 C GLU A 43 16.498 4.393 -5.065 1.00 0.00 C ATOM 604 O GLU A 43 17.608 4.926 -5.054 1.00 0.00 O ATOM 605 CB GLU A 43 16.169 1.986 -5.664 1.00 0.00 C ATOM 606 CG GLU A 43 17.498 1.599 -6.290 1.00 0.00 C ATOM 607 CD GLU A 43 17.496 1.737 -7.800 1.00 0.00 C ATOM 608 OE1 GLU A 43 16.401 1.684 -8.399 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.588 1.898 -8.384 1.00 0.00 O ATOM 0 H GLU A 43 14.362 2.357 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 43 17.175 2.724 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.674 1.087 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.526 2.414 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.287 2.225 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.734 0.569 -6.024 1.00 0.00 H new ATOM 616 N TYR A 44 15.413 4.990 -5.549 1.00 0.00 N ATOM 617 CA TYR A 44 15.467 6.336 -6.107 1.00 0.00 C ATOM 618 C TYR A 44 15.313 7.398 -5.017 1.00 0.00 C ATOM 619 O TYR A 44 15.257 8.592 -5.310 1.00 0.00 O ATOM 620 CB TYR A 44 14.372 6.515 -7.161 1.00 0.00 C ATOM 621 CG TYR A 44 14.528 5.602 -8.356 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.356 5.949 -9.416 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.847 4.393 -8.424 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.500 5.118 -10.512 1.00 0.00 C ATOM 625 CE2 TYR A 44 13.986 3.556 -9.515 1.00 0.00 C ATOM 626 CZ TYR A 44 14.814 3.922 -10.555 1.00 0.00 C ATOM 627 OH TYR A 44 14.955 3.093 -11.643 1.00 0.00 O ATOM 0 H TYR A 44 14.487 4.563 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 44 16.444 6.464 -6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.402 6.333 -6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.373 7.550 -7.502 1.00 0.00 H new ATOM 0 HD1 TYR A 44 15.896 6.884 -9.384 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.198 4.102 -7.611 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.146 5.404 -11.329 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.449 2.620 -9.553 1.00 0.00 H new ATOM 0 HH TYR A 44 14.406 2.291 -11.517 1.00 0.00 H new ATOM 637 N GLY A 45 15.246 6.961 -3.762 1.00 0.00 N ATOM 638 CA GLY A 45 15.100 7.894 -2.660 1.00 0.00 C ATOM 639 C GLY A 45 13.856 8.752 -2.785 1.00 0.00 C ATOM 640 O GLY A 45 13.906 9.964 -2.574 1.00 0.00 O ATOM 0 H GLY A 45 15.290 5.979 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.062 7.340 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.978 8.538 -2.615 1.00 0.00 H new ATOM 644 N LEU A 46 12.737 8.122 -3.129 1.00 0.00 N ATOM 645 CA LEU A 46 11.475 8.836 -3.282 1.00 0.00 C ATOM 646 C LEU A 46 10.318 8.031 -2.700 1.00 0.00 C ATOM 647 O LEU A 46 10.392 6.806 -2.596 1.00 0.00 O ATOM 648 CB LEU A 46 11.209 9.137 -4.759 1.00 0.00 C ATOM 649 CG LEU A 46 9.977 10.001 -5.031 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.172 11.401 -4.471 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.686 10.058 -6.523 1.00 0.00 C ATOM 0 H LEU A 46 12.679 7.119 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 46 11.552 9.775 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.084 9.637 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.097 8.193 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 46 9.121 9.548 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.285 12.001 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.332 11.343 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.039 11.864 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.806 10.677 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.542 10.487 -7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.501 9.051 -6.896 1.00 0.00 H new ATOM 663 N GLY A 47 9.250 8.726 -2.323 1.00 0.00 N ATOM 664 CA GLY A 47 8.093 8.058 -1.756 1.00 0.00 C ATOM 665 C GLY A 47 7.327 7.251 -2.785 1.00 0.00 C ATOM 666 O GLY A 47 7.847 6.949 -3.859 1.00 0.00 O ATOM 0 H GLY A 47 9.165 9.740 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.416 7.399 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.429 8.801 -1.314 1.00 0.00 H new ATOM 670 N ILE A 48 6.088 6.899 -2.456 1.00 0.00 N ATOM 671 CA ILE A 48 5.249 6.121 -3.360 1.00 0.00 C ATOM 672 C ILE A 48 4.052 6.937 -3.836 1.00 0.00 C ATOM 673 O ILE A 48 3.104 7.165 -3.084 1.00 0.00 O ATOM 674 CB ILE A 48 4.741 4.832 -2.686 1.00 0.00 C ATOM 675 CG1 ILE A 48 5.898 4.092 -2.011 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.054 3.936 -3.705 1.00 0.00 C ATOM 677 CD1 ILE A 48 6.958 3.616 -2.981 1.00 0.00 C ATOM 0 H ILE A 48 5.643 7.140 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 48 5.869 5.854 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 48 4.013 5.103 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.360 4.750 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.502 3.234 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.701 3.030 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.207 4.465 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.761 3.670 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.747 3.100 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.510 2.932 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.381 4.472 -3.507 1.00 0.00 H new ATOM 689 N TYR A 49 4.101 7.373 -5.090 1.00 0.00 N ATOM 690 CA TYR A 49 3.021 8.163 -5.668 1.00 0.00 C ATOM 691 C TYR A 49 2.293 7.379 -6.755 1.00 0.00 C ATOM 692 O TYR A 49 2.647 6.239 -7.054 1.00 0.00 O ATOM 693 CB TYR A 49 3.568 9.470 -6.245 1.00 0.00 C ATOM 694 CG TYR A 49 4.308 10.316 -5.233 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.610 10.010 -4.862 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.701 11.421 -4.649 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.288 10.781 -3.937 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.372 12.197 -3.723 1.00 0.00 C ATOM 699 CZ TYR A 49 5.665 11.874 -3.371 1.00 0.00 C ATOM 700 OH TYR A 49 6.338 12.643 -2.450 1.00 0.00 O ATOM 0 H TYR A 49 4.878 7.192 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 49 2.310 8.394 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.238 9.239 -7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.742 10.050 -6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.101 9.155 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.688 11.678 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.301 10.529 -3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.886 13.052 -3.277 1.00 0.00 H new ATOM 0 HH TYR A 49 5.759 13.374 -2.149 1.00 0.00 H new ATOM 710 N ILE A 50 1.274 7.998 -7.342 1.00 0.00 N ATOM 711 CA ILE A 50 0.496 7.358 -8.397 1.00 0.00 C ATOM 712 C ILE A 50 0.416 8.247 -9.633 1.00 0.00 C ATOM 713 O ILE A 50 0.124 9.438 -9.535 1.00 0.00 O ATOM 714 CB ILE A 50 -0.932 7.027 -7.921 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.891 6.275 -6.588 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.666 6.208 -8.972 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.974 6.701 -5.621 1.00 0.00 C ATOM 0 H ILE A 50 0.968 8.942 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 50 1.008 6.430 -8.651 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.472 7.962 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.986 5.206 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.082 6.430 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.673 5.983 -8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.725 6.776 -9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.127 5.277 -9.150 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.884 6.127 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.867 7.763 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.952 6.520 -6.067 1.00 0.00 H new ATOM 729 N THR A 51 0.675 7.659 -10.796 1.00 0.00 N ATOM 730 CA THR A 51 0.632 8.398 -12.052 1.00 0.00 C ATOM 731 C THR A 51 0.072 7.531 -13.177 1.00 0.00 C ATOM 732 O THR A 51 0.570 7.558 -14.303 1.00 0.00 O ATOM 733 CB THR A 51 2.030 8.895 -12.422 1.00 0.00 C ATOM 734 OG1 THR A 51 2.983 7.855 -12.289 1.00 0.00 O ATOM 735 CG2 THR A 51 2.497 10.057 -11.571 1.00 0.00 C ATOM 0 H THR A 51 0.917 6.673 -10.895 1.00 0.00 H new ATOM 0 HA THR A 51 -0.028 9.255 -11.918 1.00 0.00 H new ATOM 0 HB THR A 51 1.953 9.231 -13.456 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.520 7.005 -12.137 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.496 10.360 -11.886 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.809 10.894 -11.689 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.523 9.754 -10.524 1.00 0.00 H new ATOM 743 N GLY A 52 -0.966 6.762 -12.864 1.00 0.00 N ATOM 744 CA GLY A 52 -1.576 5.899 -13.857 1.00 0.00 C ATOM 745 C GLY A 52 -2.859 5.260 -13.362 1.00 0.00 C ATOM 746 O GLY A 52 -3.012 5.005 -12.168 1.00 0.00 O ATOM 0 H GLY A 52 -1.395 6.722 -11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.786 6.477 -14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.870 5.118 -14.138 1.00 0.00 H new ATOM 750 N VAL A 53 -3.782 5.001 -14.283 1.00 0.00 N ATOM 751 CA VAL A 53 -5.058 4.388 -13.933 1.00 0.00 C ATOM 752 C VAL A 53 -5.625 3.594 -15.105 1.00 0.00 C ATOM 753 O VAL A 53 -6.264 4.154 -15.996 1.00 0.00 O ATOM 754 CB VAL A 53 -6.090 5.446 -13.500 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.344 4.779 -12.954 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.487 6.389 -12.469 1.00 0.00 C ATOM 0 H VAL A 53 -3.670 5.206 -15.276 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.866 3.714 -13.098 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.371 6.032 -14.375 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.061 5.543 -12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.787 4.149 -13.726 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.084 4.166 -12.091 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.230 7.130 -12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.176 5.820 -11.593 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.622 6.894 -12.900 1.00 0.00 H new ATOM 766 N ASP A 54 -5.387 2.287 -15.097 1.00 0.00 N ATOM 767 CA ASP A 54 -5.875 1.414 -16.159 1.00 0.00 C ATOM 768 C ASP A 54 -7.402 1.419 -16.209 1.00 0.00 C ATOM 769 O ASP A 54 -8.059 0.907 -15.302 1.00 0.00 O ATOM 770 CB ASP A 54 -5.363 -0.013 -15.948 1.00 0.00 C ATOM 771 CG ASP A 54 -4.185 -0.344 -16.842 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.302 0.523 -17.005 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.146 -1.471 -17.381 1.00 0.00 O ATOM 0 H ASP A 54 -4.859 1.809 -14.367 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.498 1.791 -17.110 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.071 -0.141 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.171 -0.718 -16.141 1.00 0.00 H new ATOM 778 N PRO A 55 -7.994 1.997 -17.271 1.00 0.00 N ATOM 779 CA PRO A 55 -9.452 2.058 -17.423 1.00 0.00 C ATOM 780 C PRO A 55 -10.103 0.683 -17.316 1.00 0.00 C ATOM 781 O PRO A 55 -9.978 -0.146 -18.216 1.00 0.00 O ATOM 782 CB PRO A 55 -9.643 2.630 -18.830 1.00 0.00 C ATOM 783 CG PRO A 55 -8.389 3.382 -19.110 1.00 0.00 C ATOM 784 CD PRO A 55 -7.294 2.632 -18.403 1.00 0.00 C ATOM 0 HA PRO A 55 -9.917 2.657 -16.640 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.800 1.837 -19.561 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.514 3.283 -18.876 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.197 3.436 -20.182 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.458 4.407 -18.746 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.828 1.892 -19.054 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.503 3.301 -18.063 1.00 0.00 H new ATOM 792 N GLY A 56 -10.798 0.448 -16.207 1.00 0.00 N ATOM 793 CA GLY A 56 -11.458 -0.827 -16.001 1.00 0.00 C ATOM 794 C GLY A 56 -10.739 -1.696 -14.988 1.00 0.00 C ATOM 795 O GLY A 56 -10.782 -2.923 -15.070 1.00 0.00 O ATOM 0 H GLY A 56 -10.915 1.119 -15.448 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.480 -0.653 -15.665 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.520 -1.358 -16.951 1.00 0.00 H new ATOM 799 N SER A 57 -10.076 -1.057 -14.028 1.00 0.00 N ATOM 800 CA SER A 57 -9.345 -1.779 -12.994 1.00 0.00 C ATOM 801 C SER A 57 -10.066 -1.688 -11.653 1.00 0.00 C ATOM 802 O SER A 57 -10.960 -0.861 -11.473 1.00 0.00 O ATOM 803 CB SER A 57 -7.926 -1.224 -12.862 1.00 0.00 C ATOM 804 OG SER A 57 -7.944 0.124 -12.426 1.00 0.00 O ATOM 0 H SER A 57 -10.031 -0.041 -13.946 1.00 0.00 H new ATOM 0 HA SER A 57 -9.292 -2.828 -13.287 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.359 -1.830 -12.155 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.415 -1.292 -13.822 1.00 0.00 H new ATOM 0 HG SER A 57 -7.951 0.719 -13.204 1.00 0.00 H new ATOM 810 N GLU A 58 -9.672 -2.543 -10.715 1.00 0.00 N ATOM 811 CA GLU A 58 -10.280 -2.558 -9.391 1.00 0.00 C ATOM 812 C GLU A 58 -10.099 -1.214 -8.693 1.00 0.00 C ATOM 813 O GLU A 58 -10.950 -0.791 -7.909 1.00 0.00 O ATOM 814 CB GLU A 58 -9.671 -3.673 -8.539 1.00 0.00 C ATOM 815 CG GLU A 58 -10.312 -5.032 -8.766 1.00 0.00 C ATOM 816 CD GLU A 58 -11.787 -5.047 -8.413 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.600 -4.585 -9.241 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.128 -5.520 -7.309 1.00 0.00 O ATOM 0 H GLU A 58 -8.934 -3.234 -10.848 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.347 -2.744 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.605 -3.743 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.766 -3.407 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.189 -5.318 -9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.791 -5.780 -8.168 1.00 0.00 H new ATOM 825 N ALA A 59 -8.987 -0.547 -8.983 1.00 0.00 N ATOM 826 CA ALA A 59 -8.696 0.749 -8.382 1.00 0.00 C ATOM 827 C ALA A 59 -9.507 1.857 -9.046 1.00 0.00 C ATOM 828 O ALA A 59 -9.937 2.805 -8.388 1.00 0.00 O ATOM 829 CB ALA A 59 -7.208 1.052 -8.478 1.00 0.00 C ATOM 0 H ALA A 59 -8.273 -0.882 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.981 0.707 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.004 2.023 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.645 0.281 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.907 1.070 -9.526 1.00 0.00 H new ATOM 835 N GLU A 60 -9.712 1.731 -10.353 1.00 0.00 N ATOM 836 CA GLU A 60 -10.473 2.721 -11.106 1.00 0.00 C ATOM 837 C GLU A 60 -11.907 2.809 -10.595 1.00 0.00 C ATOM 838 O GLU A 60 -12.507 3.884 -10.581 1.00 0.00 O ATOM 839 CB GLU A 60 -10.470 2.372 -12.595 1.00 0.00 C ATOM 840 CG GLU A 60 -11.164 3.409 -13.464 1.00 0.00 C ATOM 841 CD GLU A 60 -10.185 4.277 -14.231 1.00 0.00 C ATOM 842 OE1 GLU A 60 -9.223 3.723 -14.803 1.00 0.00 O ATOM 843 OE2 GLU A 60 -10.381 5.510 -14.259 1.00 0.00 O ATOM 0 H GLU A 60 -9.362 0.953 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.997 3.692 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.439 2.259 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.958 1.407 -12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.825 2.904 -14.168 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.791 4.042 -12.837 1.00 0.00 H new ATOM 850 N GLY A 61 -12.452 1.671 -10.177 1.00 0.00 N ATOM 851 CA GLY A 61 -13.811 1.642 -9.672 1.00 0.00 C ATOM 852 C GLY A 61 -13.933 2.272 -8.298 1.00 0.00 C ATOM 853 O GLY A 61 -14.927 2.933 -7.997 1.00 0.00 O ATOM 0 H GLY A 61 -11.976 0.769 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.465 2.167 -10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.156 0.609 -9.627 1.00 0.00 H new ATOM 857 N SER A 62 -12.919 2.066 -7.463 1.00 0.00 N ATOM 858 CA SER A 62 -12.916 2.619 -6.114 1.00 0.00 C ATOM 859 C SER A 62 -12.934 4.143 -6.150 1.00 0.00 C ATOM 860 O SER A 62 -13.682 4.784 -5.411 1.00 0.00 O ATOM 861 CB SER A 62 -11.690 2.129 -5.342 1.00 0.00 C ATOM 862 OG SER A 62 -11.907 2.194 -3.944 1.00 0.00 O ATOM 0 H SER A 62 -12.090 1.520 -7.697 1.00 0.00 H new ATOM 0 HA SER A 62 -13.817 2.276 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.461 1.103 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.824 2.735 -5.607 1.00 0.00 H new ATOM 0 HG SER A 62 -11.826 1.297 -3.558 1.00 0.00 H new ATOM 868 N GLY A 63 -12.107 4.719 -7.016 1.00 0.00 N ATOM 869 CA GLY A 63 -12.042 6.164 -7.133 1.00 0.00 C ATOM 870 C GLY A 63 -10.661 6.712 -6.827 1.00 0.00 C ATOM 871 O GLY A 63 -10.529 7.791 -6.250 1.00 0.00 O ATOM 0 H GLY A 63 -11.480 4.210 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.329 6.456 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.766 6.613 -6.453 1.00 0.00 H new ATOM 875 N LEU A 64 -9.631 5.966 -7.213 1.00 0.00 N ATOM 876 CA LEU A 64 -8.254 6.384 -6.975 1.00 0.00 C ATOM 877 C LEU A 64 -7.727 7.209 -8.145 1.00 0.00 C ATOM 878 O LEU A 64 -7.801 6.786 -9.299 1.00 0.00 O ATOM 879 CB LEU A 64 -7.359 5.163 -6.754 1.00 0.00 C ATOM 880 CG LEU A 64 -7.278 4.672 -5.308 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.551 3.339 -5.236 1.00 0.00 C ATOM 882 CD2 LEU A 64 -6.584 5.707 -4.433 1.00 0.00 C ATOM 0 H LEU A 64 -9.723 5.070 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.238 7.004 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.723 4.347 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.353 5.403 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.292 4.529 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.503 3.006 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.087 2.599 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.540 3.454 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.535 5.342 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.574 5.880 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.146 6.641 -4.459 1.00 0.00 H new ATOM 894 N LYS A 65 -7.196 8.388 -7.839 1.00 0.00 N ATOM 895 CA LYS A 65 -6.656 9.272 -8.867 1.00 0.00 C ATOM 896 C LYS A 65 -5.137 9.360 -8.763 1.00 0.00 C ATOM 897 O LYS A 65 -4.534 8.804 -7.845 1.00 0.00 O ATOM 898 CB LYS A 65 -7.270 10.667 -8.744 1.00 0.00 C ATOM 899 CG LYS A 65 -8.754 10.712 -9.080 1.00 0.00 C ATOM 900 CD LYS A 65 -9.609 10.890 -7.834 1.00 0.00 C ATOM 901 CE LYS A 65 -10.392 12.193 -7.873 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.808 11.979 -8.281 1.00 0.00 N ATOM 0 H LYS A 65 -7.128 8.754 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.912 8.856 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.125 11.030 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.736 11.350 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.945 11.532 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.040 9.791 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.300 10.052 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.972 10.874 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.365 12.662 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.914 12.883 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.307 12.891 -8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.835 11.555 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.272 11.341 -7.603 1.00 0.00 H new ATOM 916 N VAL A 66 -4.524 10.063 -9.710 1.00 0.00 N ATOM 917 CA VAL A 66 -3.076 10.224 -9.724 1.00 0.00 C ATOM 918 C VAL A 66 -2.645 11.401 -8.857 1.00 0.00 C ATOM 919 O VAL A 66 -3.478 12.158 -8.361 1.00 0.00 O ATOM 920 CB VAL A 66 -2.548 10.434 -11.155 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.771 9.187 -11.996 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.209 11.645 -11.795 1.00 0.00 C ATOM 0 H VAL A 66 -5.008 10.530 -10.477 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.652 9.305 -9.320 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.475 10.620 -11.103 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.391 9.355 -13.004 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.245 8.345 -11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.837 8.965 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.824 11.778 -12.806 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.287 11.492 -11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.990 12.534 -11.203 1.00 0.00 H new ATOM 932 N GLY A 67 -1.335 11.549 -8.680 1.00 0.00 N ATOM 933 CA GLY A 67 -0.814 12.636 -7.873 1.00 0.00 C ATOM 934 C GLY A 67 -1.021 12.414 -6.386 1.00 0.00 C ATOM 935 O GLY A 67 -0.885 13.343 -5.590 1.00 0.00 O ATOM 0 H GLY A 67 -0.626 10.935 -9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.251 12.754 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.299 13.567 -8.168 1.00 0.00 H new ATOM 939 N ASP A 68 -1.350 11.181 -6.008 1.00 0.00 N ATOM 940 CA ASP A 68 -1.572 10.848 -4.606 1.00 0.00 C ATOM 941 C ASP A 68 -0.295 10.315 -3.965 1.00 0.00 C ATOM 942 O ASP A 68 0.708 10.098 -4.644 1.00 0.00 O ATOM 943 CB ASP A 68 -2.695 9.815 -4.478 1.00 0.00 C ATOM 944 CG ASP A 68 -3.996 10.432 -4.001 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.959 11.211 -3.026 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.049 10.136 -4.603 1.00 0.00 O ATOM 0 H ASP A 68 -1.468 10.399 -6.652 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.865 11.758 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.856 9.336 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.389 9.034 -3.781 1.00 0.00 H new ATOM 951 N GLN A 69 -0.339 10.106 -2.653 1.00 0.00 N ATOM 952 CA GLN A 69 0.814 9.598 -1.920 1.00 0.00 C ATOM 953 C GLN A 69 0.430 8.395 -1.065 1.00 0.00 C ATOM 954 O GLN A 69 -0.306 8.526 -0.088 1.00 0.00 O ATOM 955 CB GLN A 69 1.409 10.697 -1.037 1.00 0.00 C ATOM 956 CG GLN A 69 2.904 10.550 -0.805 1.00 0.00 C ATOM 957 CD GLN A 69 3.285 10.691 0.655 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.571 11.317 1.438 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.417 10.106 1.030 1.00 0.00 N ATOM 0 H GLN A 69 -1.162 10.281 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 69 1.562 9.280 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.215 11.666 -1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.898 10.694 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.230 9.576 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.434 11.302 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.978 9.597 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.725 10.166 2.001 1.00 0.00 H new ATOM 968 N ILE A 70 0.934 7.224 -1.440 1.00 0.00 N ATOM 969 CA ILE A 70 0.644 5.997 -0.707 1.00 0.00 C ATOM 970 C ILE A 70 1.419 5.946 0.605 1.00 0.00 C ATOM 971 O ILE A 70 2.631 5.727 0.614 1.00 0.00 O ATOM 972 CB ILE A 70 0.988 4.749 -1.542 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.387 4.864 -2.943 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.488 3.492 -0.846 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.696 3.681 -3.834 1.00 0.00 C ATOM 0 H ILE A 70 1.545 7.099 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.425 6.000 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 70 2.072 4.681 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.694 4.971 -2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.761 5.772 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.738 2.619 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.960 3.406 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.594 3.550 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.238 3.832 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.776 3.585 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.298 2.772 -3.383 1.00 0.00 H new ATOM 987 N LEU A 71 0.711 6.147 1.712 1.00 0.00 N ATOM 988 CA LEU A 71 1.333 6.125 3.031 1.00 0.00 C ATOM 989 C LEU A 71 1.675 4.697 3.447 1.00 0.00 C ATOM 990 O LEU A 71 2.846 4.345 3.589 1.00 0.00 O ATOM 991 CB LEU A 71 0.405 6.761 4.067 1.00 0.00 C ATOM 992 CG LEU A 71 0.013 8.212 3.781 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.290 8.560 4.482 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.123 9.157 4.214 1.00 0.00 C ATOM 0 H LEU A 71 -0.293 6.327 1.722 1.00 0.00 H new ATOM 0 HA LEU A 71 2.257 6.701 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.503 6.162 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.890 6.717 5.042 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.135 8.325 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.553 9.596 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.082 7.903 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.170 8.432 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.828 10.185 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.302 9.042 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.035 8.922 3.666 1.00 0.00 H new ATOM 1006 N GLU A 72 0.645 3.880 3.642 1.00 0.00 N ATOM 1007 CA GLU A 72 0.837 2.491 4.041 1.00 0.00 C ATOM 1008 C GLU A 72 -0.211 1.589 3.398 1.00 0.00 C ATOM 1009 O GLU A 72 -1.309 2.035 3.065 1.00 0.00 O ATOM 1010 CB GLU A 72 0.770 2.363 5.564 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.577 2.756 6.150 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.543 4.112 6.829 1.00 0.00 C ATOM 1013 OE1 GLU A 72 -0.410 5.129 6.117 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -0.651 4.155 8.073 1.00 0.00 O ATOM 0 H GLU A 72 -0.331 4.156 3.530 1.00 0.00 H new ATOM 0 HA GLU A 72 1.822 2.174 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.992 1.333 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.546 2.988 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.324 2.769 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.890 2.000 6.870 1.00 0.00 H new ATOM 1021 N VAL A 73 0.136 0.317 3.225 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.774 -0.649 2.621 1.00 0.00 C ATOM 1023 C VAL A 73 -0.851 -1.924 3.451 1.00 0.00 C ATOM 1024 O VAL A 73 0.172 -2.530 3.773 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.341 -1.008 1.187 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.404 -1.854 0.505 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.055 0.253 0.384 1.00 0.00 C ATOM 0 H VAL A 73 1.041 -0.068 3.495 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.757 -0.180 2.589 1.00 0.00 H new ATOM 0 HB VAL A 73 0.577 -1.593 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.081 -2.098 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.554 -2.774 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.340 -1.297 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.249 -0.020 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.954 0.867 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.745 0.816 0.864 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.069 -2.327 3.795 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.280 -3.532 4.589 1.00 0.00 C ATOM 1039 C ASN A 74 -1.591 -3.418 5.945 1.00 0.00 C ATOM 1040 O ASN A 74 -1.146 -4.416 6.512 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.759 -4.760 3.840 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.628 -5.123 2.652 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -2.031 -5.145 1.466 1.00 0.00 O flip ATOM 1044 ND2 ASN A 74 -3.823 -5.382 2.798 1.00 0.00 N flip ATOM 0 H ASN A 74 -2.925 -1.837 3.537 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.351 -3.644 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.742 -4.569 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.712 -5.607 4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.241 -5.353 3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.395 -5.625 1.989 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.505 -2.195 6.459 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.870 -1.974 7.744 1.00 0.00 C ATOM 1053 C GLY A 75 0.639 -2.117 7.677 1.00 0.00 C ATOM 1054 O GLY A 75 1.276 -2.508 8.656 1.00 0.00 O ATOM 0 H GLY A 75 -1.864 -1.353 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.122 -0.976 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.267 -2.684 8.469 1.00 0.00 H new ATOM 1058 N ARG A 76 1.210 -1.800 6.520 1.00 0.00 N ATOM 1059 CA ARG A 76 2.653 -1.896 6.329 1.00 0.00 C ATOM 1060 C ARG A 76 3.218 -0.586 5.788 1.00 0.00 C ATOM 1061 O ARG A 76 2.597 0.069 4.951 1.00 0.00 O ATOM 1062 CB ARG A 76 2.988 -3.042 5.374 1.00 0.00 C ATOM 1063 CG ARG A 76 4.480 -3.289 5.219 1.00 0.00 C ATOM 1064 CD ARG A 76 4.801 -4.776 5.200 1.00 0.00 C ATOM 1065 NE ARG A 76 5.114 -5.285 6.533 1.00 0.00 N ATOM 1066 CZ ARG A 76 5.084 -6.575 6.860 1.00 0.00 C ATOM 1067 NH1 ARG A 76 4.758 -7.489 5.954 1.00 0.00 N ATOM 1068 NH2 ARG A 76 5.383 -6.952 8.095 1.00 0.00 N ATOM 0 H ARG A 76 0.696 -1.475 5.701 1.00 0.00 H new ATOM 0 HA ARG A 76 3.110 -2.096 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.513 -3.954 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.561 -2.825 4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.832 -2.828 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.016 -2.811 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.952 -5.325 4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.646 -4.956 4.535 1.00 0.00 H new ATOM 0 HE ARG A 76 5.371 -4.612 7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.529 -7.204 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.737 -8.476 6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.636 -6.254 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.360 -7.940 8.346 1.00 0.00 H new ATOM 1082 N SER A 77 4.398 -0.212 6.270 1.00 0.00 N ATOM 1083 CA SER A 77 5.047 1.019 5.834 1.00 0.00 C ATOM 1084 C SER A 77 5.377 0.961 4.346 1.00 0.00 C ATOM 1085 O SER A 77 5.992 0.006 3.873 1.00 0.00 O ATOM 1086 CB SER A 77 6.322 1.263 6.642 1.00 0.00 C ATOM 1087 OG SER A 77 6.022 1.790 7.923 1.00 0.00 O ATOM 0 H SER A 77 4.925 -0.744 6.963 1.00 0.00 H new ATOM 0 HA SER A 77 4.356 1.845 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.872 0.328 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.970 1.954 6.104 1.00 0.00 H new ATOM 0 HG SER A 77 6.854 1.935 8.420 1.00 0.00 H new ATOM 1093 N PHE A 78 4.960 1.989 3.612 1.00 0.00 N ATOM 1094 CA PHE A 78 5.211 2.055 2.177 1.00 0.00 C ATOM 1095 C PHE A 78 5.984 3.320 1.817 1.00 0.00 C ATOM 1096 O PHE A 78 5.836 3.859 0.720 1.00 0.00 O ATOM 1097 CB PHE A 78 3.889 2.008 1.407 1.00 0.00 C ATOM 1098 CG PHE A 78 3.649 0.701 0.707 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.245 -0.417 1.418 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.829 0.590 -0.663 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.023 -1.622 0.778 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.610 -0.612 -1.309 1.00 0.00 C ATOM 1103 CZ PHE A 78 3.207 -1.719 -0.587 1.00 0.00 C ATOM 0 H PHE A 78 4.447 2.787 3.988 1.00 0.00 H new ATOM 0 HA PHE A 78 5.816 1.193 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.068 2.197 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.877 2.812 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.102 -0.346 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.144 1.452 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.706 -2.485 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.754 -0.686 -2.377 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.036 -2.659 -1.090 1.00 0.00 H new ATOM 1113 N LEU A 79 6.812 3.787 2.746 1.00 0.00 N ATOM 1114 CA LEU A 79 7.609 4.988 2.525 1.00 0.00 C ATOM 1115 C LEU A 79 9.004 4.629 2.023 1.00 0.00 C ATOM 1116 O LEU A 79 9.434 5.096 0.969 1.00 0.00 O ATOM 1117 CB LEU A 79 7.714 5.802 3.816 1.00 0.00 C ATOM 1118 CG LEU A 79 6.490 6.660 4.142 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.561 7.169 5.573 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.379 7.822 3.167 1.00 0.00 C ATOM 0 H LEU A 79 6.948 3.352 3.659 1.00 0.00 H new ATOM 0 HA LEU A 79 7.111 5.589 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.890 5.118 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.586 6.452 3.748 1.00 0.00 H new ATOM 0 HG LEU A 79 5.599 6.040 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.682 7.777 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.592 6.323 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.460 7.773 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.503 8.422 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.273 8.441 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.281 7.437 2.152 1.00 0.00 H new ATOM 1132 N ASN A 80 9.706 3.800 2.787 1.00 0.00 N ATOM 1133 CA ASN A 80 11.054 3.379 2.422 1.00 0.00 C ATOM 1134 C ASN A 80 11.036 2.007 1.753 1.00 0.00 C ATOM 1135 O ASN A 80 11.917 1.181 1.987 1.00 0.00 O ATOM 1136 CB ASN A 80 11.951 3.344 3.660 1.00 0.00 C ATOM 1137 CG ASN A 80 11.348 2.533 4.789 1.00 0.00 C ATOM 1138 OD1 ASN A 80 10.913 1.398 4.590 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.317 3.112 5.984 1.00 0.00 N ATOM 0 H ASN A 80 9.364 3.406 3.663 1.00 0.00 H new ATOM 0 HA ASN A 80 11.453 4.103 1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.920 2.923 3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.131 4.363 4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.922 2.614 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.689 4.054 6.104 1.00 0.00 H new ATOM 1146 N ILE A 81 10.026 1.773 0.922 1.00 0.00 N ATOM 1147 CA ILE A 81 9.895 0.502 0.220 1.00 0.00 C ATOM 1148 C ILE A 81 10.469 0.592 -1.191 1.00 0.00 C ATOM 1149 O ILE A 81 10.468 1.658 -1.805 1.00 0.00 O ATOM 1150 CB ILE A 81 8.421 0.052 0.142 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.316 -1.324 -0.521 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.589 1.078 -0.615 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.073 -2.091 -0.128 1.00 0.00 C ATOM 0 H ILE A 81 9.287 2.446 0.718 1.00 0.00 H new ATOM 0 HA ILE A 81 10.460 -0.236 0.790 1.00 0.00 H new ATOM 0 HB ILE A 81 8.029 -0.025 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.328 -1.199 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.195 -1.913 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.552 0.744 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.639 2.038 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.979 1.188 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.065 -3.056 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.068 -2.248 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.189 -1.523 -0.416 1.00 0.00 H new ATOM 1165 N LEU A 82 10.959 -0.535 -1.697 1.00 0.00 N ATOM 1166 CA LEU A 82 11.538 -0.584 -3.035 1.00 0.00 C ATOM 1167 C LEU A 82 10.452 -0.462 -4.100 1.00 0.00 C ATOM 1168 O LEU A 82 9.292 -0.797 -3.860 1.00 0.00 O ATOM 1169 CB LEU A 82 12.316 -1.887 -3.230 1.00 0.00 C ATOM 1170 CG LEU A 82 13.436 -2.130 -2.215 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.540 -3.610 -1.880 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.760 -1.608 -2.751 1.00 0.00 C ATOM 0 H LEU A 82 10.967 -1.426 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 82 12.222 0.258 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.616 -2.721 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.747 -1.889 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 82 13.197 -1.588 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.341 -3.764 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.597 -3.954 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.756 -4.174 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.546 -1.788 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.005 -2.123 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.679 -0.538 -2.940 1.00 0.00 H new ATOM 1184 N HIS A 83 10.838 0.018 -5.279 1.00 0.00 N ATOM 1185 CA HIS A 83 9.897 0.183 -6.380 1.00 0.00 C ATOM 1186 C HIS A 83 9.388 -1.169 -6.869 1.00 0.00 C ATOM 1187 O HIS A 83 8.223 -1.306 -7.244 1.00 0.00 O ATOM 1188 CB HIS A 83 10.560 0.938 -7.534 1.00 0.00 C ATOM 1189 CG HIS A 83 9.635 1.207 -8.680 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.332 1.628 -8.514 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.831 1.114 -10.018 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.766 1.780 -9.700 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.655 1.476 -10.627 1.00 0.00 N ATOM 0 H HIS A 83 11.794 0.299 -5.495 1.00 0.00 H new ATOM 0 HA HIS A 83 9.047 0.760 -6.016 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.950 1.885 -7.162 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.413 0.361 -7.893 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.742 0.812 -10.513 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.750 2.099 -9.879 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.494 1.505 -11.634 1.00 0.00 H new ATOM 1202 N ASP A 84 10.267 -2.165 -6.861 1.00 0.00 N ATOM 1203 CA ASP A 84 9.905 -3.507 -7.302 1.00 0.00 C ATOM 1204 C ASP A 84 9.031 -4.203 -6.265 1.00 0.00 C ATOM 1205 O ASP A 84 8.133 -4.972 -6.611 1.00 0.00 O ATOM 1206 CB ASP A 84 11.164 -4.337 -7.565 1.00 0.00 C ATOM 1207 CG ASP A 84 12.100 -4.360 -6.373 1.00 0.00 C ATOM 1208 OD1 ASP A 84 12.574 -3.278 -5.968 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.360 -5.461 -5.844 1.00 0.00 O ATOM 0 H ASP A 84 11.235 -2.069 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 84 9.337 -3.417 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.877 -5.358 -7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.690 -3.931 -8.429 1.00 0.00 H new ATOM 1214 N GLU A 85 9.298 -3.929 -4.993 1.00 0.00 N ATOM 1215 CA GLU A 85 8.534 -4.530 -3.904 1.00 0.00 C ATOM 1216 C GLU A 85 7.130 -3.940 -3.837 1.00 0.00 C ATOM 1217 O GLU A 85 6.171 -4.632 -3.493 1.00 0.00 O ATOM 1218 CB GLU A 85 9.253 -4.318 -2.572 1.00 0.00 C ATOM 1219 CG GLU A 85 9.118 -5.490 -1.614 1.00 0.00 C ATOM 1220 CD GLU A 85 9.993 -5.343 -0.385 1.00 0.00 C ATOM 1221 OE1 GLU A 85 9.878 -4.308 0.305 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.792 -6.263 -0.111 1.00 0.00 O ATOM 0 H GLU A 85 10.037 -3.295 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 85 8.451 -5.600 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.310 -4.137 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.858 -3.422 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.077 -5.584 -1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.380 -6.411 -2.134 1.00 0.00 H new ATOM 1229 N ALA A 86 7.015 -2.658 -4.167 1.00 0.00 N ATOM 1230 CA ALA A 86 5.727 -1.976 -4.145 1.00 0.00 C ATOM 1231 C ALA A 86 4.760 -2.596 -5.147 1.00 0.00 C ATOM 1232 O ALA A 86 3.548 -2.612 -4.927 1.00 0.00 O ATOM 1233 CB ALA A 86 5.911 -0.493 -4.433 1.00 0.00 C ATOM 0 H ALA A 86 7.798 -2.071 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 86 5.299 -2.091 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.941 0.004 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.560 -0.053 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.364 -0.367 -5.416 1.00 0.00 H new ATOM 1239 N VAL A 87 5.302 -3.105 -6.247 1.00 0.00 N ATOM 1240 CA VAL A 87 4.487 -3.727 -7.284 1.00 0.00 C ATOM 1241 C VAL A 87 4.225 -5.196 -6.970 1.00 0.00 C ATOM 1242 O VAL A 87 3.105 -5.684 -7.124 1.00 0.00 O ATOM 1243 CB VAL A 87 5.158 -3.623 -8.666 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.212 -4.096 -9.758 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.619 -2.197 -8.930 1.00 0.00 C ATOM 0 H VAL A 87 6.303 -3.099 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 87 3.540 -3.187 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 87 6.034 -4.271 -8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.705 -4.015 -10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.938 -5.135 -9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.314 -3.478 -9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.091 -2.143 -9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.760 -1.526 -8.903 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.337 -1.899 -8.166 1.00 0.00 H new ATOM 1255 N ARG A 88 5.264 -5.895 -6.527 1.00 0.00 N ATOM 1256 CA ARG A 88 5.147 -7.309 -6.190 1.00 0.00 C ATOM 1257 C ARG A 88 4.286 -7.503 -4.947 1.00 0.00 C ATOM 1258 O ARG A 88 3.599 -8.516 -4.807 1.00 0.00 O ATOM 1259 CB ARG A 88 6.533 -7.918 -5.965 1.00 0.00 C ATOM 1260 CG ARG A 88 7.195 -8.411 -7.241 1.00 0.00 C ATOM 1261 CD ARG A 88 8.697 -8.178 -7.214 1.00 0.00 C ATOM 1262 NE ARG A 88 9.411 -9.275 -6.564 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.470 -10.512 -7.052 1.00 0.00 C ATOM 1264 NH1 ARG A 88 8.859 -10.815 -8.190 1.00 0.00 N ATOM 1265 NH2 ARG A 88 10.141 -11.450 -6.398 1.00 0.00 N ATOM 0 H ARG A 88 6.197 -5.505 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 88 4.666 -7.817 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.176 -7.173 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.446 -8.750 -5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.993 -9.474 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.761 -7.898 -8.099 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.064 -8.061 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.910 -7.246 -6.690 1.00 0.00 H new ATOM 0 HE ARG A 88 9.892 -9.082 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.340 -10.098 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.908 -11.765 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.611 -11.223 -5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.187 -12.398 -6.771 1.00 0.00 H new ATOM 1279 N LEU A 89 4.326 -6.526 -4.047 1.00 0.00 N ATOM 1280 CA LEU A 89 3.549 -6.591 -2.815 1.00 0.00 C ATOM 1281 C LEU A 89 2.096 -6.197 -3.067 1.00 0.00 C ATOM 1282 O LEU A 89 1.185 -6.692 -2.403 1.00 0.00 O ATOM 1283 CB LEU A 89 4.161 -5.674 -1.752 1.00 0.00 C ATOM 1284 CG LEU A 89 3.579 -5.834 -0.347 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.703 -7.276 0.121 1.00 0.00 C ATOM 1286 CD2 LEU A 89 4.276 -4.895 0.627 1.00 0.00 C ATOM 0 H LEU A 89 4.888 -5.681 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 89 3.571 -7.619 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.234 -5.860 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.030 -4.639 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 89 2.521 -5.574 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.284 -7.371 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.160 -7.928 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.754 -7.564 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.850 -5.021 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.341 -5.126 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.137 -3.864 0.301 1.00 0.00 H new ATOM 1298 N LEU A 90 1.888 -5.304 -4.029 1.00 0.00 N ATOM 1299 CA LEU A 90 0.547 -4.844 -4.368 1.00 0.00 C ATOM 1300 C LEU A 90 -0.151 -5.837 -5.289 1.00 0.00 C ATOM 1301 O LEU A 90 -1.368 -6.015 -5.220 1.00 0.00 O ATOM 1302 CB LEU A 90 0.611 -3.469 -5.036 1.00 0.00 C ATOM 1303 CG LEU A 90 0.610 -2.280 -4.073 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.951 -0.995 -4.809 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.739 -2.159 -3.381 1.00 0.00 C ATOM 0 H LEU A 90 2.631 -4.885 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.028 -4.766 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.512 -3.421 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.239 -3.370 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 90 1.373 -2.451 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.945 -0.161 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.940 -1.084 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.213 -0.816 -5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.723 -1.309 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.519 -2.011 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.943 -3.071 -2.819 1.00 0.00 H new ATOM 1317 N LYS A 91 0.625 -6.485 -6.152 1.00 0.00 N ATOM 1318 CA LYS A 91 0.080 -7.462 -7.088 1.00 0.00 C ATOM 1319 C LYS A 91 0.357 -8.884 -6.610 1.00 0.00 C ATOM 1320 O LYS A 91 1.143 -9.613 -7.216 1.00 0.00 O ATOM 1321 CB LYS A 91 0.675 -7.252 -8.481 1.00 0.00 C ATOM 1322 CG LYS A 91 -0.042 -6.185 -9.294 1.00 0.00 C ATOM 1323 CD LYS A 91 0.293 -4.788 -8.799 1.00 0.00 C ATOM 1324 CE LYS A 91 0.396 -3.799 -9.949 1.00 0.00 C ATOM 1325 NZ LYS A 91 1.309 -4.287 -11.020 1.00 0.00 N ATOM 0 H LYS A 91 1.634 -6.351 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.999 -7.319 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.725 -6.977 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.644 -8.195 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.238 -6.277 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.119 -6.344 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.474 -4.455 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.236 -4.811 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.595 -3.625 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.756 -2.841 -9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.925 -3.509 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.893 -5.064 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.747 -4.628 -11.826 1.00 0.00 H new ATOM 1339 N SER A 92 -0.295 -9.273 -5.518 1.00 0.00 N ATOM 1340 CA SER A 92 -0.121 -10.608 -4.958 1.00 0.00 C ATOM 1341 C SER A 92 -1.184 -10.896 -3.903 1.00 0.00 C ATOM 1342 O SER A 92 -1.989 -11.814 -4.054 1.00 0.00 O ATOM 1343 CB SER A 92 1.274 -10.748 -4.346 1.00 0.00 C ATOM 1344 OG SER A 92 1.802 -12.044 -4.569 1.00 0.00 O ATOM 0 H SER A 92 -0.948 -8.682 -5.004 1.00 0.00 H new ATOM 0 HA SER A 92 -0.230 -11.332 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.940 -10.001 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.226 -10.551 -3.275 1.00 0.00 H new ATOM 0 HG SER A 92 2.695 -12.107 -4.170 1.00 0.00 H new ATOM 1350 N SER A 93 -1.180 -10.104 -2.836 1.00 0.00 N ATOM 1351 CA SER A 93 -2.145 -10.274 -1.756 1.00 0.00 C ATOM 1352 C SER A 93 -3.545 -9.876 -2.214 1.00 0.00 C ATOM 1353 O SER A 93 -3.735 -8.818 -2.811 1.00 0.00 O ATOM 1354 CB SER A 93 -1.737 -9.439 -0.541 1.00 0.00 C ATOM 1355 OG SER A 93 -0.633 -10.022 0.130 1.00 0.00 O ATOM 0 H SER A 93 -0.520 -9.339 -2.696 1.00 0.00 H new ATOM 0 HA SER A 93 -2.157 -11.327 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.481 -8.428 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.580 -9.353 0.145 1.00 0.00 H new ATOM 0 HG SER A 93 -0.390 -9.469 0.902 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.521 -10.733 -1.929 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.905 -10.472 -2.312 1.00 0.00 C ATOM 1363 C ARG A 94 -6.387 -9.138 -1.750 1.00 0.00 C ATOM 1364 O ARG A 94 -6.525 -8.159 -2.483 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.813 -11.602 -1.823 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.810 -12.821 -2.733 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.699 -13.791 -2.366 1.00 0.00 C ATOM 1368 NE ARG A 94 -6.201 -15.149 -2.168 1.00 0.00 N ATOM 1369 CZ ARG A 94 -6.819 -15.557 -1.061 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -7.012 -14.716 -0.052 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -7.245 -16.808 -0.963 1.00 0.00 N ATOM 0 H ARG A 94 -4.379 -11.614 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.949 -10.423 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.498 -11.904 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.832 -11.226 -1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.773 -13.328 -2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.688 -12.502 -3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.946 -13.794 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.206 -13.450 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.070 -15.824 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.686 -13.752 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.486 -15.034 0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.100 -17.458 -1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.718 -17.121 -0.115 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.644 -9.108 -0.446 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.111 -7.894 0.212 1.00 0.00 C ATOM 1387 C HIS A 95 -6.004 -6.847 0.273 1.00 0.00 C ATOM 1388 O HIS A 95 -4.918 -7.106 0.792 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.605 -8.213 1.624 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.717 -7.322 2.084 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.629 -7.692 3.049 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.061 -6.067 1.705 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.486 -6.704 3.244 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.163 -5.708 2.441 1.00 0.00 N ATOM 0 H HIS A 95 -6.537 -9.910 0.175 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.937 -7.489 -0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.943 -9.249 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.771 -8.128 2.320 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.641 -8.588 3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.561 -5.462 0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.310 -6.711 3.942 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.287 -5.663 -0.260 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.316 -4.575 -0.268 1.00 0.00 C ATOM 1405 C LEU A 96 -5.917 -3.306 0.326 1.00 0.00 C ATOM 1406 O LEU A 96 -6.848 -2.727 -0.233 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.829 -4.305 -1.692 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.257 -5.521 -2.422 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -3.904 -5.165 -3.858 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.035 -6.054 -1.689 1.00 0.00 C ATOM 0 H LEU A 96 -7.182 -5.432 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.467 -4.876 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.660 -3.908 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.065 -3.529 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.017 -6.302 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.499 -6.043 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.800 -4.829 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.160 -4.368 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.640 -6.919 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.272 -5.277 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.317 -6.348 -0.678 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.377 -2.878 1.463 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.862 -1.676 2.133 1.00 0.00 C ATOM 1424 C ILE A 97 -4.836 -0.550 2.050 1.00 0.00 C ATOM 1425 O ILE A 97 -3.962 -0.429 2.908 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.188 -1.951 3.613 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.089 -3.181 3.742 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -6.850 -0.735 4.246 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.997 -3.858 5.092 1.00 0.00 C ATOM 0 H ILE A 97 -4.605 -3.345 1.939 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.774 -1.372 1.619 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.256 -2.150 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.123 -2.885 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.824 -3.899 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.074 -0.946 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.176 0.120 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.775 -0.507 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.662 -4.721 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.972 -4.185 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.291 -3.156 5.872 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.947 0.270 1.010 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.029 1.385 0.814 1.00 0.00 C ATOM 1443 C LEU A 98 -4.468 2.600 1.627 1.00 0.00 C ATOM 1444 O LEU A 98 -5.644 2.746 1.959 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.948 1.753 -0.668 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.056 0.841 -1.513 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -3.842 -0.359 -2.015 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.458 1.615 -2.679 1.00 0.00 C ATOM 0 H LEU A 98 -5.664 0.183 0.290 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.042 1.075 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.955 1.740 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.581 2.776 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.241 0.478 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.191 -0.996 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.223 -0.926 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.677 -0.017 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.826 0.952 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.260 2.006 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.859 2.442 -2.298 1.00 0.00 H new ATOM 1460 N THR A 99 -3.513 3.469 1.944 1.00 0.00 N ATOM 1461 CA THR A 99 -3.800 4.671 2.717 1.00 0.00 C ATOM 1462 C THR A 99 -3.160 5.897 2.073 1.00 0.00 C ATOM 1463 O THR A 99 -1.987 6.191 2.305 1.00 0.00 O ATOM 1464 CB THR A 99 -3.295 4.513 4.152 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.388 3.162 4.570 1.00 0.00 O ATOM 1466 CG2 THR A 99 -4.057 5.356 5.151 1.00 0.00 C ATOM 0 H THR A 99 -2.534 3.363 1.677 1.00 0.00 H new ATOM 0 HA THR A 99 -4.881 4.813 2.733 1.00 0.00 H new ATOM 0 HB THR A 99 -2.259 4.850 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.736 2.621 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.648 5.197 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.964 6.409 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.109 5.071 5.140 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.940 6.609 1.265 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.449 7.803 0.589 1.00 0.00 C ATOM 1476 C VAL A 100 -4.004 9.068 1.235 1.00 0.00 C ATOM 1477 O VAL A 100 -5.152 9.098 1.677 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.824 7.797 -0.905 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.112 6.666 -1.631 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.331 7.686 -1.076 1.00 0.00 C ATOM 0 H VAL A 100 -4.913 6.379 1.063 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.363 7.796 0.684 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.500 8.740 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.390 6.678 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.034 6.796 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.402 5.712 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.577 7.683 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.682 6.760 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.815 8.535 -0.593 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.181 10.111 1.285 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.590 11.379 1.877 1.00 0.00 C ATOM 1492 C LYS A 101 -3.834 12.429 0.798 1.00 0.00 C ATOM 1493 O LYS A 101 -3.413 12.266 -0.348 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.525 11.875 2.857 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.168 12.107 2.214 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.216 12.821 3.161 1.00 0.00 C ATOM 1497 CE LYS A 101 0.742 13.729 2.409 1.00 0.00 C ATOM 1498 NZ LYS A 101 1.905 14.128 3.249 1.00 0.00 N ATOM 0 H LYS A 101 -2.228 10.103 0.923 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.523 11.216 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.866 12.805 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.417 11.148 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.737 11.151 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.291 12.698 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.788 13.409 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.351 12.085 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.099 13.219 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.211 14.621 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.534 14.747 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.567 14.637 4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.427 13.279 3.545 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.515 13.507 1.172 1.00 0.00 N ATOM 1513 CA ASP A 102 -4.815 14.584 0.236 1.00 0.00 C ATOM 1514 C ASP A 102 -3.534 15.262 -0.241 1.00 0.00 C ATOM 1515 O ASP A 102 -2.810 15.868 0.549 1.00 0.00 O ATOM 1516 CB ASP A 102 -5.741 15.612 0.890 1.00 0.00 C ATOM 1517 CG ASP A 102 -6.979 15.886 0.059 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.548 14.921 -0.494 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -7.380 17.065 -0.039 1.00 0.00 O ATOM 0 H ASP A 102 -4.869 13.658 2.116 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.318 14.152 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.040 15.253 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.196 16.543 1.042 1.00 0.00 H new