USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 MET CE :methyl -139:sc= -1.9! (180deg=-0.962) USER MOD Set 1.2: A 64 TYR OH : rot 0:sc= -1.24 USER MOD Single : A 26 HIS : no HD1:sc= -4.72! C(o=-4.7!,f=-10!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0.11 (180deg=0.0115) USER MOD Single : A 40 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.29) USER MOD Single : A 44 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0792 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.65 USER MOD Single : A 66 THR OG1 : rot 141:sc= -3.7! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.7) USER MOD Single : A 93 LYS NZ :NH3+ -138:sc= -1.58 (180deg=-4.32!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 85:sc= 0.0156 USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0.828 (180deg=0.679) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0.48 (180deg=0.48) USER MOD Single : A 106 SER OG : rot -3:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 2.022 8.524 -5.271 1.00 0.00 N ATOM 308 CA HIS A 26 2.341 8.714 -3.866 1.00 0.00 C ATOM 309 C HIS A 26 2.905 7.414 -3.288 1.00 0.00 C ATOM 310 O HIS A 26 2.439 6.327 -3.626 1.00 0.00 O ATOM 311 CB HIS A 26 1.121 9.224 -3.096 1.00 0.00 C ATOM 312 CG HIS A 26 1.430 9.692 -1.695 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.470 8.835 -0.609 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.716 10.936 -1.213 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.765 9.541 0.472 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.917 10.844 0.096 1.00 0.00 N ATOM 0 HA HIS A 26 3.109 9.481 -3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.671 10.047 -3.652 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.377 8.429 -3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.770 11.842 -1.798 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.867 9.154 1.475 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.147 11.619 0.718 1.00 0.00 H new ATOM 324 N PRO A 27 3.925 7.574 -2.403 1.00 0.00 N ATOM 325 CA PRO A 27 4.558 6.426 -1.775 1.00 0.00 C ATOM 326 C PRO A 27 3.661 5.834 -0.686 1.00 0.00 C ATOM 327 O PRO A 27 3.638 4.620 -0.488 1.00 0.00 O ATOM 328 CB PRO A 27 5.878 6.951 -1.236 1.00 0.00 C ATOM 329 CG PRO A 27 5.731 8.463 -1.171 1.00 0.00 C ATOM 330 CD PRO A 27 4.502 8.846 -1.979 1.00 0.00 C ATOM 0 HA PRO A 27 4.726 5.605 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.090 6.537 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.706 6.667 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.626 8.792 -0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.619 8.951 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.796 9.420 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.769 9.465 -2.836 1.00 0.00 H new ATOM 338 N GLY A 28 2.944 6.718 -0.009 1.00 0.00 N ATOM 339 CA GLY A 28 2.048 6.298 1.055 1.00 0.00 C ATOM 340 C GLY A 28 1.117 5.181 0.579 1.00 0.00 C ATOM 341 O GLY A 28 0.635 4.384 1.383 1.00 0.00 O ATOM 0 H GLY A 28 2.965 7.724 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.629 5.952 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.457 7.149 1.395 1.00 0.00 H new ATOM 345 N VAL A 29 0.892 5.158 -0.727 1.00 0.00 N ATOM 346 CA VAL A 29 0.028 4.152 -1.320 1.00 0.00 C ATOM 347 C VAL A 29 0.859 2.919 -1.678 1.00 0.00 C ATOM 348 O VAL A 29 0.470 1.793 -1.372 1.00 0.00 O ATOM 349 CB VAL A 29 -0.715 4.742 -2.521 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.831 3.806 -2.989 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.265 6.132 -2.196 1.00 0.00 C ATOM 0 H VAL A 29 1.293 5.820 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.734 3.835 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.001 4.847 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.343 4.249 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.403 2.847 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.543 3.655 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.788 6.529 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.957 6.062 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.442 6.797 -1.933 1.00 0.00 H new ATOM 361 N LEU A 30 1.989 3.173 -2.322 1.00 0.00 N ATOM 362 CA LEU A 30 2.879 2.098 -2.725 1.00 0.00 C ATOM 363 C LEU A 30 3.373 1.357 -1.481 1.00 0.00 C ATOM 364 O LEU A 30 3.659 0.162 -1.538 1.00 0.00 O ATOM 365 CB LEU A 30 4.006 2.637 -3.609 1.00 0.00 C ATOM 366 CG LEU A 30 3.573 3.294 -4.921 1.00 0.00 C ATOM 367 CD1 LEU A 30 3.988 2.444 -6.123 1.00 0.00 C ATOM 368 CD2 LEU A 30 2.072 3.589 -4.918 1.00 0.00 C ATOM 0 H LEU A 30 2.308 4.108 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 30 2.345 1.372 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.577 3.365 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.682 1.815 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 30 4.088 4.250 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.668 2.934 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.072 2.330 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.520 1.462 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.791 4.056 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.518 2.658 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.835 4.264 -4.095 1.00 0.00 H new ATOM 380 N LYS A 31 3.460 2.098 -0.386 1.00 0.00 N ATOM 381 CA LYS A 31 3.915 1.527 0.870 1.00 0.00 C ATOM 382 C LYS A 31 3.103 0.267 1.176 1.00 0.00 C ATOM 383 O LYS A 31 3.623 -0.686 1.755 1.00 0.00 O ATOM 384 CB LYS A 31 3.868 2.575 1.984 1.00 0.00 C ATOM 385 CG LYS A 31 5.209 2.657 2.716 1.00 0.00 C ATOM 386 CD LYS A 31 5.211 3.805 3.728 1.00 0.00 C ATOM 387 CE LYS A 31 6.635 4.133 4.181 1.00 0.00 C ATOM 388 NZ LYS A 31 6.811 5.597 4.317 1.00 0.00 N ATOM 0 H LYS A 31 3.223 3.089 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 31 4.959 1.223 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.620 3.549 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.078 2.324 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.406 1.715 3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.013 2.802 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.755 4.689 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.604 3.534 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.841 3.646 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.352 3.740 3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.783 5.803 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.634 6.055 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.140 5.963 5.022 1.00 0.00 H new ATOM 402 N VAL A 32 1.841 0.303 0.774 1.00 0.00 N ATOM 403 CA VAL A 32 0.952 -0.824 0.998 1.00 0.00 C ATOM 404 C VAL A 32 1.167 -1.865 -0.102 1.00 0.00 C ATOM 405 O VAL A 32 1.162 -3.066 0.165 1.00 0.00 O ATOM 406 CB VAL A 32 -0.496 -0.339 1.087 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.564 1.087 1.637 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.191 -0.436 -0.273 1.00 0.00 C ATOM 0 H VAL A 32 1.413 1.095 0.294 1.00 0.00 H new ATOM 0 HA VAL A 32 1.179 -1.305 1.949 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.026 -0.991 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.605 1.407 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.125 1.114 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.011 1.757 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.219 -0.085 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.660 0.181 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.190 -1.473 -0.609 1.00 0.00 H new ATOM 418 N GLU A 33 1.352 -1.367 -1.316 1.00 0.00 N ATOM 419 CA GLU A 33 1.569 -2.239 -2.458 1.00 0.00 C ATOM 420 C GLU A 33 2.749 -3.176 -2.194 1.00 0.00 C ATOM 421 O GLU A 33 2.665 -4.375 -2.455 1.00 0.00 O ATOM 422 CB GLU A 33 1.789 -1.425 -3.735 1.00 0.00 C ATOM 423 CG GLU A 33 0.506 -0.705 -4.154 1.00 0.00 C ATOM 424 CD GLU A 33 0.176 -0.982 -5.622 1.00 0.00 C ATOM 425 OE1 GLU A 33 -0.503 -2.002 -5.868 1.00 0.00 O ATOM 426 OE2 GLU A 33 0.611 -0.168 -6.465 1.00 0.00 O ATOM 0 H GLU A 33 1.356 -0.370 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 33 0.675 -2.845 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.583 -0.696 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.119 -2.084 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.321 -1.032 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.620 0.368 -3.999 1.00 0.00 H new ATOM 433 N ALA A 34 3.822 -2.593 -1.680 1.00 0.00 N ATOM 434 CA ALA A 34 5.019 -3.361 -1.378 1.00 0.00 C ATOM 435 C ALA A 34 4.683 -4.431 -0.337 1.00 0.00 C ATOM 436 O ALA A 34 5.159 -5.562 -0.428 1.00 0.00 O ATOM 437 CB ALA A 34 6.126 -2.416 -0.907 1.00 0.00 C ATOM 0 H ALA A 34 3.888 -1.598 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 34 5.384 -3.871 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.024 -2.991 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.347 -1.694 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.798 -1.889 -0.011 1.00 0.00 H new ATOM 443 N ILE A 35 3.867 -4.036 0.629 1.00 0.00 N ATOM 444 CA ILE A 35 3.462 -4.947 1.686 1.00 0.00 C ATOM 445 C ILE A 35 2.498 -5.989 1.114 1.00 0.00 C ATOM 446 O ILE A 35 2.590 -7.171 1.442 1.00 0.00 O ATOM 447 CB ILE A 35 2.894 -4.170 2.875 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.960 -3.270 3.502 1.00 0.00 C ATOM 449 CG2 ILE A 35 2.268 -5.118 3.901 1.00 0.00 C ATOM 450 CD1 ILE A 35 3.320 -2.178 4.362 1.00 0.00 C ATOM 0 H ILE A 35 3.475 -3.097 0.702 1.00 0.00 H new ATOM 0 HA ILE A 35 4.325 -5.489 2.073 1.00 0.00 H new ATOM 0 HB ILE A 35 2.099 -3.520 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.634 -3.870 4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.563 -2.813 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.872 -4.540 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.460 -5.679 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.026 -5.811 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.100 -1.553 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.665 -1.564 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.738 -2.638 5.161 1.00 0.00 H new ATOM 462 N LEU A 36 1.595 -5.512 0.270 1.00 0.00 N ATOM 463 CA LEU A 36 0.615 -6.387 -0.350 1.00 0.00 C ATOM 464 C LEU A 36 1.301 -7.234 -1.424 1.00 0.00 C ATOM 465 O LEU A 36 0.735 -8.217 -1.900 1.00 0.00 O ATOM 466 CB LEU A 36 -0.573 -5.576 -0.872 1.00 0.00 C ATOM 467 CG LEU A 36 -1.504 -4.990 0.192 1.00 0.00 C ATOM 468 CD1 LEU A 36 -2.463 -3.968 -0.422 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.248 -6.097 0.940 1.00 0.00 C ATOM 0 H LEU A 36 1.522 -4.531 0.001 1.00 0.00 H new ATOM 0 HA LEU A 36 0.202 -7.077 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.189 -4.758 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.162 -6.214 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.895 -4.461 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.114 -3.567 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.891 -3.156 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.069 -4.452 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.902 -5.653 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.845 -6.675 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.528 -6.753 1.429 1.00 0.00 H new ATOM 481 N GLU A 37 2.510 -6.821 -1.774 1.00 0.00 N ATOM 482 CA GLU A 37 3.279 -7.530 -2.784 1.00 0.00 C ATOM 483 C GLU A 37 3.601 -8.948 -2.307 1.00 0.00 C ATOM 484 O GLU A 37 3.651 -9.879 -3.109 1.00 0.00 O ATOM 485 CB GLU A 37 4.557 -6.766 -3.135 1.00 0.00 C ATOM 486 CG GLU A 37 4.635 -6.488 -4.637 1.00 0.00 C ATOM 487 CD GLU A 37 6.036 -6.779 -5.177 1.00 0.00 C ATOM 488 OE1 GLU A 37 6.971 -6.074 -4.740 1.00 0.00 O ATOM 489 OE2 GLU A 37 6.141 -7.700 -6.016 1.00 0.00 O ATOM 0 H GLU A 37 2.976 -6.005 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 37 2.676 -7.600 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.585 -5.825 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.427 -7.343 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.904 -7.103 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.375 -5.447 -4.832 1.00 0.00 H new ATOM 496 N LYS A 38 3.810 -9.067 -1.005 1.00 0.00 N ATOM 497 CA LYS A 38 4.125 -10.356 -0.412 1.00 0.00 C ATOM 498 C LYS A 38 2.859 -11.214 -0.365 1.00 0.00 C ATOM 499 O LYS A 38 2.799 -12.272 -0.989 1.00 0.00 O ATOM 500 CB LYS A 38 4.793 -10.169 0.952 1.00 0.00 C ATOM 501 CG LYS A 38 6.069 -9.334 0.828 1.00 0.00 C ATOM 502 CD LYS A 38 5.960 -8.043 1.641 1.00 0.00 C ATOM 503 CE LYS A 38 6.935 -8.053 2.820 1.00 0.00 C ATOM 504 NZ LYS A 38 6.266 -8.548 4.043 1.00 0.00 N ATOM 0 H LYS A 38 3.768 -8.292 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 38 4.850 -10.891 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.100 -9.680 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.031 -11.142 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.923 -9.915 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.251 -9.094 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.168 -7.187 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.941 -7.926 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.791 -8.685 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.319 -7.047 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.846 -8.315 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.333 -8.098 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.149 -9.580 3.981 1.00 0.00 H new ATOM 518 N VAL A 39 1.879 -10.725 0.382 1.00 0.00 N ATOM 519 CA VAL A 39 0.618 -11.434 0.519 1.00 0.00 C ATOM 520 C VAL A 39 0.244 -12.064 -0.825 1.00 0.00 C ATOM 521 O VAL A 39 -0.123 -13.236 -0.884 1.00 0.00 O ATOM 522 CB VAL A 39 -0.458 -10.489 1.057 1.00 0.00 C ATOM 523 CG1 VAL A 39 -0.508 -9.195 0.242 1.00 0.00 C ATOM 524 CG2 VAL A 39 -1.826 -11.174 1.083 1.00 0.00 C ATOM 0 H VAL A 39 1.933 -9.847 0.898 1.00 0.00 H new ATOM 0 HA VAL A 39 0.711 -12.244 1.243 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.194 -10.229 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.281 -8.541 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.458 -8.693 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.736 -9.429 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.573 -10.481 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.101 -11.477 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.780 -12.053 1.725 1.00 0.00 H new ATOM 534 N GLN A 40 0.349 -11.256 -1.870 1.00 0.00 N ATOM 535 CA GLN A 40 0.025 -11.720 -3.209 1.00 0.00 C ATOM 536 C GLN A 40 0.573 -13.131 -3.428 1.00 0.00 C ATOM 537 O GLN A 40 -0.167 -14.035 -3.815 1.00 0.00 O ATOM 538 CB GLN A 40 0.560 -10.753 -4.267 1.00 0.00 C ATOM 539 CG GLN A 40 -0.324 -9.509 -4.370 1.00 0.00 C ATOM 540 CD GLN A 40 -0.855 -9.330 -5.794 1.00 0.00 C ATOM 541 OE1 GLN A 40 -1.261 -10.271 -6.456 1.00 0.00 O ATOM 542 NE2 GLN A 40 -0.828 -8.072 -6.227 1.00 0.00 N ATOM 0 H GLN A 40 0.653 -10.284 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.060 -11.753 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.579 -10.459 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.603 -11.254 -5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.159 -9.593 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.247 -8.628 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.475 -7.331 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.160 -7.848 -7.165 1.00 0.00 H new ATOM 551 N GLY A 41 1.865 -13.277 -3.173 1.00 0.00 N ATOM 552 CA GLY A 41 2.520 -14.564 -3.338 1.00 0.00 C ATOM 553 C GLY A 41 1.950 -15.598 -2.365 1.00 0.00 C ATOM 554 O GLY A 41 1.933 -16.791 -2.662 1.00 0.00 O ATOM 0 H GLY A 41 2.476 -12.525 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.391 -14.913 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.592 -14.455 -3.171 1.00 0.00 H new ATOM 558 N LEU A 42 1.498 -15.102 -1.223 1.00 0.00 N ATOM 559 CA LEU A 42 0.929 -15.968 -0.204 1.00 0.00 C ATOM 560 C LEU A 42 -0.523 -16.288 -0.565 1.00 0.00 C ATOM 561 O LEU A 42 -1.086 -17.267 -0.078 1.00 0.00 O ATOM 562 CB LEU A 42 1.095 -15.345 1.183 1.00 0.00 C ATOM 563 CG LEU A 42 2.447 -14.686 1.465 1.00 0.00 C ATOM 564 CD1 LEU A 42 2.311 -13.582 2.515 1.00 0.00 C ATOM 565 CD2 LEU A 42 3.493 -15.730 1.864 1.00 0.00 C ATOM 0 H LEU A 42 1.514 -14.111 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 42 1.465 -16.916 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.313 -14.598 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.928 -16.121 1.930 1.00 0.00 H new ATOM 0 HG LEU A 42 2.795 -14.215 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.286 -13.130 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.620 -12.820 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.930 -14.008 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.445 -15.236 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.163 -16.250 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.617 -16.449 1.054 1.00 0.00 H new ATOM 577 N GLU A 43 -1.087 -15.443 -1.415 1.00 0.00 N ATOM 578 CA GLU A 43 -2.463 -15.622 -1.847 1.00 0.00 C ATOM 579 C GLU A 43 -2.579 -16.849 -2.754 1.00 0.00 C ATOM 580 O GLU A 43 -3.422 -17.715 -2.528 1.00 0.00 O ATOM 581 CB GLU A 43 -2.985 -14.368 -2.550 1.00 0.00 C ATOM 582 CG GLU A 43 -4.494 -14.213 -2.347 1.00 0.00 C ATOM 583 CD GLU A 43 -5.272 -15.104 -3.317 1.00 0.00 C ATOM 584 OE1 GLU A 43 -4.992 -15.002 -4.530 1.00 0.00 O ATOM 585 OE2 GLU A 43 -6.130 -15.867 -2.822 1.00 0.00 O ATOM 0 H GLU A 43 -0.616 -14.632 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.082 -15.787 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.470 -13.489 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.762 -14.425 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.755 -14.472 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.779 -13.172 -2.496 1.00 0.00 H new ATOM 592 N GLN A 44 -1.719 -16.883 -3.762 1.00 0.00 N ATOM 593 CA GLN A 44 -1.714 -17.989 -4.704 1.00 0.00 C ATOM 594 C GLN A 44 -1.630 -19.322 -3.958 1.00 0.00 C ATOM 595 O GLN A 44 -2.194 -20.321 -4.401 1.00 0.00 O ATOM 596 CB GLN A 44 -0.567 -17.849 -5.707 1.00 0.00 C ATOM 597 CG GLN A 44 -0.895 -16.800 -6.772 1.00 0.00 C ATOM 598 CD GLN A 44 -1.910 -17.342 -7.781 1.00 0.00 C ATOM 599 OE1 GLN A 44 -2.919 -17.931 -7.430 1.00 0.00 O ATOM 600 NE2 GLN A 44 -1.587 -17.111 -9.051 1.00 0.00 N ATOM 0 H GLN A 44 -1.021 -16.162 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.649 -17.967 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.347 -17.567 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.377 -18.810 -6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.294 -15.905 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.017 -16.506 -7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.727 -16.611 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.200 -17.433 -9.800 1.00 0.00 H new ATOM 609 N ALA A 45 -0.922 -19.293 -2.838 1.00 0.00 N ATOM 610 CA ALA A 45 -0.757 -20.487 -2.027 1.00 0.00 C ATOM 611 C ALA A 45 -2.116 -20.905 -1.460 1.00 0.00 C ATOM 612 O ALA A 45 -2.406 -22.095 -1.348 1.00 0.00 O ATOM 613 CB ALA A 45 0.275 -20.220 -0.929 1.00 0.00 C ATOM 0 H ALA A 45 -0.456 -18.462 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.383 -21.313 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.399 -21.116 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.230 -19.955 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.067 -19.398 -0.300 1.00 0.00 H new ATOM 619 N VAL A 46 -2.912 -19.902 -1.117 1.00 0.00 N ATOM 620 CA VAL A 46 -4.232 -20.151 -0.565 1.00 0.00 C ATOM 621 C VAL A 46 -5.122 -20.774 -1.643 1.00 0.00 C ATOM 622 O VAL A 46 -5.516 -21.934 -1.533 1.00 0.00 O ATOM 623 CB VAL A 46 -4.810 -18.857 0.013 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.338 -18.917 0.071 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.220 -18.562 1.393 1.00 0.00 C ATOM 0 H VAL A 46 -2.668 -18.916 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.173 -20.862 0.259 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.532 -18.039 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.723 -17.985 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.735 -19.059 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.646 -19.750 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.647 -17.637 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.453 -19.383 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.138 -18.455 1.311 1.00 0.00 H new ATOM 635 N ASP A 47 -5.413 -19.975 -2.659 1.00 0.00 N ATOM 636 CA ASP A 47 -6.249 -20.434 -3.756 1.00 0.00 C ATOM 637 C ASP A 47 -5.830 -21.851 -4.152 1.00 0.00 C ATOM 638 O ASP A 47 -6.644 -22.625 -4.653 1.00 0.00 O ATOM 639 CB ASP A 47 -6.091 -19.534 -4.983 1.00 0.00 C ATOM 640 CG ASP A 47 -7.323 -19.448 -5.885 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.839 -20.528 -6.245 1.00 0.00 O ATOM 642 OD2 ASP A 47 -7.722 -18.304 -6.193 1.00 0.00 O ATOM 0 H ASP A 47 -5.085 -19.013 -2.746 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.286 -20.410 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.834 -18.529 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.251 -19.897 -5.575 1.00 0.00 H new ATOM 647 N SER A 48 -4.561 -22.148 -3.913 1.00 0.00 N ATOM 648 CA SER A 48 -4.025 -23.458 -4.239 1.00 0.00 C ATOM 649 C SER A 48 -3.408 -24.096 -2.992 1.00 0.00 C ATOM 650 O SER A 48 -2.311 -24.649 -3.052 1.00 0.00 O ATOM 651 CB SER A 48 -2.985 -23.366 -5.358 1.00 0.00 C ATOM 652 OG SER A 48 -3.296 -24.229 -6.448 1.00 0.00 O ATOM 0 H SER A 48 -3.889 -21.503 -3.497 1.00 0.00 H new ATOM 0 HA SER A 48 -4.844 -24.084 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.927 -22.338 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.002 -23.622 -4.962 1.00 0.00 H new ATOM 0 HG SER A 48 -2.610 -24.140 -7.142 1.00 0.00 H new ATOM 658 N PHE A 49 -4.140 -23.997 -1.892 1.00 0.00 N ATOM 659 CA PHE A 49 -3.678 -24.557 -0.634 1.00 0.00 C ATOM 660 C PHE A 49 -4.321 -25.920 -0.371 1.00 0.00 C ATOM 661 O PHE A 49 -5.230 -26.331 -1.092 1.00 0.00 O ATOM 662 CB PHE A 49 -4.101 -23.586 0.470 1.00 0.00 C ATOM 663 CG PHE A 49 -4.138 -24.209 1.867 1.00 0.00 C ATOM 664 CD1 PHE A 49 -3.008 -24.253 2.622 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.301 -24.719 2.353 1.00 0.00 C ATOM 666 CE1 PHE A 49 -3.042 -24.831 3.919 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.336 -25.298 3.650 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.206 -25.341 4.405 1.00 0.00 C ATOM 0 H PHE A 49 -5.049 -23.537 -1.846 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.597 -24.695 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.413 -22.740 0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.089 -23.191 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.084 -23.848 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.198 -24.684 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.145 -24.866 4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.260 -25.704 4.036 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.232 -25.780 5.391 1.00 0.00 H new ATOM 678 N GLU A 50 -3.826 -26.584 0.663 1.00 0.00 N ATOM 679 CA GLU A 50 -4.341 -27.892 1.030 1.00 0.00 C ATOM 680 C GLU A 50 -4.098 -28.161 2.516 1.00 0.00 C ATOM 681 O GLU A 50 -3.014 -27.888 3.031 1.00 0.00 O ATOM 682 CB GLU A 50 -3.717 -28.989 0.165 1.00 0.00 C ATOM 683 CG GLU A 50 -4.530 -29.209 -1.113 1.00 0.00 C ATOM 684 CD GLU A 50 -3.985 -30.395 -1.912 1.00 0.00 C ATOM 685 OE1 GLU A 50 -2.804 -30.315 -2.312 1.00 0.00 O ATOM 686 OE2 GLU A 50 -4.763 -31.354 -2.104 1.00 0.00 O ATOM 0 H GLU A 50 -3.073 -26.240 1.259 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.416 -27.901 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.694 -28.716 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.665 -29.919 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.575 -29.387 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.501 -28.308 -1.726 1.00 0.00 H new ATOM 693 N GLY A 51 -5.124 -28.692 3.164 1.00 0.00 N ATOM 694 CA GLY A 51 -5.035 -29.001 4.581 1.00 0.00 C ATOM 695 C GLY A 51 -6.296 -28.549 5.321 1.00 0.00 C ATOM 696 O GLY A 51 -7.375 -28.488 4.735 1.00 0.00 O ATOM 0 H GLY A 51 -6.021 -28.916 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.895 -30.074 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.162 -28.510 5.010 1.00 0.00 H new ATOM 700 N LYS A 52 -6.116 -28.243 6.597 1.00 0.00 N ATOM 701 CA LYS A 52 -7.226 -27.798 7.423 1.00 0.00 C ATOM 702 C LYS A 52 -6.811 -26.543 8.194 1.00 0.00 C ATOM 703 O LYS A 52 -5.917 -25.814 7.766 1.00 0.00 O ATOM 704 CB LYS A 52 -7.717 -28.936 8.320 1.00 0.00 C ATOM 705 CG LYS A 52 -7.512 -30.294 7.645 1.00 0.00 C ATOM 706 CD LYS A 52 -8.447 -30.456 6.445 1.00 0.00 C ATOM 707 CE LYS A 52 -9.660 -31.316 6.807 1.00 0.00 C ATOM 708 NZ LYS A 52 -10.402 -31.705 5.587 1.00 0.00 N ATOM 0 H LYS A 52 -5.219 -28.294 7.079 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.078 -27.524 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.181 -28.913 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.774 -28.795 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.476 -30.390 7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.695 -31.093 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.780 -29.476 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.906 -30.914 5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.334 -32.208 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.317 -30.764 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.222 -32.288 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.729 -30.851 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.777 -32.250 4.959 1.00 0.00 H new ATOM 722 N LYS A 53 -7.481 -26.329 9.317 1.00 0.00 N ATOM 723 CA LYS A 53 -7.193 -25.174 10.151 1.00 0.00 C ATOM 724 C LYS A 53 -6.209 -25.578 11.252 1.00 0.00 C ATOM 725 O LYS A 53 -6.052 -24.865 12.241 1.00 0.00 O ATOM 726 CB LYS A 53 -8.490 -24.560 10.681 1.00 0.00 C ATOM 727 CG LYS A 53 -9.273 -23.878 9.558 1.00 0.00 C ATOM 728 CD LYS A 53 -10.241 -22.834 10.118 1.00 0.00 C ATOM 729 CE LYS A 53 -11.691 -23.208 9.807 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.136 -24.324 10.671 1.00 0.00 N ATOM 0 H LYS A 53 -8.222 -26.935 9.669 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.712 -24.391 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.104 -25.336 11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.261 -23.835 11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.580 -23.401 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.828 -24.626 8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.107 -22.750 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.014 -21.857 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.336 -22.343 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.782 -23.493 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.122 -24.565 10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.531 -25.154 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.068 -24.039 11.669 1.00 0.00 H new ATOM 744 N THR A 54 -5.573 -26.721 11.042 1.00 0.00 N ATOM 745 CA THR A 54 -4.609 -27.229 12.004 1.00 0.00 C ATOM 746 C THR A 54 -3.245 -27.422 11.340 1.00 0.00 C ATOM 747 O THR A 54 -2.214 -27.092 11.924 1.00 0.00 O ATOM 748 CB THR A 54 -5.178 -28.513 12.610 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.290 -29.401 11.500 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.617 -28.343 13.098 1.00 0.00 C ATOM 0 H THR A 54 -5.706 -27.310 10.220 1.00 0.00 H new ATOM 0 HA THR A 54 -4.443 -26.517 12.813 1.00 0.00 H new ATOM 0 HB THR A 54 -4.549 -28.832 13.441 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.650 -30.260 11.804 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.972 -29.284 13.519 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.653 -27.567 13.863 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.254 -28.057 12.261 1.00 0.00 H new ATOM 758 N ASP A 55 -3.282 -27.956 10.127 1.00 0.00 N ATOM 759 CA ASP A 55 -2.061 -28.197 9.378 1.00 0.00 C ATOM 760 C ASP A 55 -1.095 -27.031 9.596 1.00 0.00 C ATOM 761 O ASP A 55 -1.501 -25.870 9.564 1.00 0.00 O ATOM 762 CB ASP A 55 -2.347 -28.300 7.878 1.00 0.00 C ATOM 763 CG ASP A 55 -1.156 -28.735 7.021 1.00 0.00 C ATOM 764 OD1 ASP A 55 -0.205 -29.290 7.612 1.00 0.00 O ATOM 765 OD2 ASP A 55 -1.225 -28.503 5.795 1.00 0.00 O ATOM 0 H ASP A 55 -4.139 -28.228 9.645 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.630 -29.135 9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.162 -29.008 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.696 -27.331 7.523 1.00 0.00 H new ATOM 770 N LYS A 56 0.164 -27.380 9.812 1.00 0.00 N ATOM 771 CA LYS A 56 1.191 -26.376 10.036 1.00 0.00 C ATOM 772 C LYS A 56 1.207 -25.398 8.859 1.00 0.00 C ATOM 773 O LYS A 56 1.579 -24.237 9.018 1.00 0.00 O ATOM 774 CB LYS A 56 2.543 -27.043 10.299 1.00 0.00 C ATOM 775 CG LYS A 56 3.675 -26.014 10.278 1.00 0.00 C ATOM 776 CD LYS A 56 3.498 -24.979 11.391 1.00 0.00 C ATOM 777 CE LYS A 56 4.584 -23.905 11.320 1.00 0.00 C ATOM 778 NZ LYS A 56 5.193 -23.695 12.652 1.00 0.00 N ATOM 0 H LYS A 56 0.497 -28.344 9.837 1.00 0.00 H new ATOM 0 HA LYS A 56 0.968 -25.795 10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.522 -27.547 11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.728 -27.808 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.633 -26.520 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.697 -25.512 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.516 -24.514 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.534 -25.474 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.352 -24.202 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.156 -22.970 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.928 -22.963 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.460 -23.390 13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.619 -24.584 12.983 1.00 0.00 H new ATOM 792 N LYS A 57 0.798 -25.904 7.705 1.00 0.00 N ATOM 793 CA LYS A 57 0.760 -25.090 6.502 1.00 0.00 C ATOM 794 C LYS A 57 -0.229 -23.940 6.701 1.00 0.00 C ATOM 795 O LYS A 57 0.118 -22.777 6.499 1.00 0.00 O ATOM 796 CB LYS A 57 0.458 -25.956 5.278 1.00 0.00 C ATOM 797 CG LYS A 57 0.566 -25.140 3.988 1.00 0.00 C ATOM 798 CD LYS A 57 0.106 -25.959 2.781 1.00 0.00 C ATOM 799 CE LYS A 57 1.280 -26.272 1.851 1.00 0.00 C ATOM 800 NZ LYS A 57 0.792 -26.837 0.573 1.00 0.00 N ATOM 0 H LYS A 57 0.490 -26.868 7.577 1.00 0.00 H new ATOM 0 HA LYS A 57 1.736 -24.643 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.153 -26.795 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.544 -26.376 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.040 -24.238 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.597 -24.819 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.351 -26.888 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.659 -25.409 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.852 -25.364 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.956 -26.978 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.601 -27.044 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.266 -27.714 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.166 -26.150 0.107 1.00 0.00 H new ATOM 814 N TYR A 58 -1.440 -24.304 7.095 1.00 0.00 N ATOM 815 CA TYR A 58 -2.481 -23.317 7.324 1.00 0.00 C ATOM 816 C TYR A 58 -1.959 -22.154 8.169 1.00 0.00 C ATOM 817 O TYR A 58 -2.201 -20.992 7.850 1.00 0.00 O ATOM 818 CB TYR A 58 -3.585 -24.040 8.099 1.00 0.00 C ATOM 819 CG TYR A 58 -4.769 -23.147 8.475 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.583 -22.628 7.488 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.023 -22.860 9.801 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.697 -21.787 7.842 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.137 -22.019 10.155 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.919 -21.524 9.158 1.00 0.00 C ATOM 825 OH TYR A 58 -7.971 -20.730 9.492 1.00 0.00 O ATOM 0 H TYR A 58 -1.724 -25.269 7.262 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.834 -22.906 6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.949 -24.875 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.159 -24.463 9.009 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.384 -22.853 6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.386 -23.266 10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.342 -21.374 7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.347 -21.787 11.189 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.009 -20.629 10.466 1.00 0.00 H new ATOM 835 N LEU A 59 -1.250 -22.509 9.232 1.00 0.00 N ATOM 836 CA LEU A 59 -0.691 -21.509 10.126 1.00 0.00 C ATOM 837 C LEU A 59 0.379 -20.707 9.382 1.00 0.00 C ATOM 838 O LEU A 59 0.315 -19.480 9.330 1.00 0.00 O ATOM 839 CB LEU A 59 -0.185 -22.164 11.412 1.00 0.00 C ATOM 840 CG LEU A 59 -1.256 -22.767 12.324 1.00 0.00 C ATOM 841 CD1 LEU A 59 -1.918 -23.978 11.664 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.677 -23.109 13.698 1.00 0.00 C ATOM 0 H LEU A 59 -1.050 -23.474 9.493 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.461 -20.803 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.520 -22.951 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.371 -21.419 11.981 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.033 -22.019 12.479 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.675 -24.388 12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.387 -23.672 10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.164 -24.738 11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.459 -23.536 14.326 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.131 -23.832 13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.290 -22.204 14.165 1.00 0.00 H new ATOM 854 N MET A 60 1.337 -21.434 8.825 1.00 0.00 N ATOM 855 CA MET A 60 2.419 -20.805 8.087 1.00 0.00 C ATOM 856 C MET A 60 1.890 -19.693 7.179 1.00 0.00 C ATOM 857 O MET A 60 2.507 -18.635 7.063 1.00 0.00 O ATOM 858 CB MET A 60 3.137 -21.858 7.239 1.00 0.00 C ATOM 859 CG MET A 60 4.633 -21.890 7.558 1.00 0.00 C ATOM 860 SD MET A 60 5.432 -23.175 6.611 1.00 0.00 S ATOM 861 CE MET A 60 5.220 -22.522 4.963 1.00 0.00 C ATOM 0 H MET A 60 1.386 -22.452 8.870 1.00 0.00 H new ATOM 0 HA MET A 60 3.114 -20.364 8.802 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.701 -22.839 7.425 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.991 -21.640 6.181 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.083 -20.924 7.328 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.782 -22.066 8.623 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.958 -23.332 4.282 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.423 -21.778 4.966 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.149 -22.057 4.633 1.00 0.00 H new ATOM 871 N ILE A 61 0.753 -19.970 6.558 1.00 0.00 N ATOM 872 CA ILE A 61 0.134 -19.006 5.664 1.00 0.00 C ATOM 873 C ILE A 61 -0.577 -17.933 6.492 1.00 0.00 C ATOM 874 O ILE A 61 -0.340 -16.741 6.303 1.00 0.00 O ATOM 875 CB ILE A 61 -0.780 -19.715 4.662 1.00 0.00 C ATOM 876 CG1 ILE A 61 -0.010 -20.776 3.873 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.472 -18.706 3.743 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.888 -21.393 2.783 1.00 0.00 C ATOM 0 H ILE A 61 0.244 -20.848 6.656 1.00 0.00 H new ATOM 0 HA ILE A 61 0.892 -18.499 5.066 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.562 -20.232 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.875 -20.328 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.338 -21.556 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.116 -19.235 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.073 -18.022 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.720 -18.141 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.317 -22.144 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.760 -21.862 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.214 -20.614 2.094 1.00 0.00 H new ATOM 890 N GLU A 62 -1.433 -18.395 7.391 1.00 0.00 N ATOM 891 CA GLU A 62 -2.179 -17.489 8.248 1.00 0.00 C ATOM 892 C GLU A 62 -1.309 -16.294 8.643 1.00 0.00 C ATOM 893 O GLU A 62 -1.750 -15.148 8.567 1.00 0.00 O ATOM 894 CB GLU A 62 -2.707 -18.216 9.487 1.00 0.00 C ATOM 895 CG GLU A 62 -3.609 -17.301 10.317 1.00 0.00 C ATOM 896 CD GLU A 62 -2.801 -16.174 10.964 1.00 0.00 C ATOM 897 OE1 GLU A 62 -1.719 -16.491 11.505 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.283 -15.023 10.904 1.00 0.00 O ATOM 0 H GLU A 62 -1.627 -19.385 7.545 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.039 -17.119 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.263 -19.103 9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.870 -18.558 10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.387 -16.877 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.111 -17.883 11.090 1.00 0.00 H new ATOM 905 N GLU A 63 -0.088 -16.602 9.056 1.00 0.00 N ATOM 906 CA GLU A 63 0.848 -15.568 9.462 1.00 0.00 C ATOM 907 C GLU A 63 1.310 -14.762 8.246 1.00 0.00 C ATOM 908 O GLU A 63 1.333 -13.533 8.284 1.00 0.00 O ATOM 909 CB GLU A 63 2.041 -16.170 10.207 1.00 0.00 C ATOM 910 CG GLU A 63 3.235 -16.356 9.269 1.00 0.00 C ATOM 911 CD GLU A 63 4.433 -16.945 10.016 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.685 -16.474 11.146 1.00 0.00 O ATOM 913 OE2 GLU A 63 5.070 -17.854 9.441 1.00 0.00 O ATOM 0 H GLU A 63 0.274 -17.553 9.118 1.00 0.00 H new ATOM 0 HA GLU A 63 0.337 -14.892 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.323 -15.520 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.759 -17.131 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.956 -17.014 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.511 -15.397 8.831 1.00 0.00 H new ATOM 920 N TYR A 64 1.666 -15.488 7.197 1.00 0.00 N ATOM 921 CA TYR A 64 2.126 -14.856 5.972 1.00 0.00 C ATOM 922 C TYR A 64 1.147 -13.774 5.512 1.00 0.00 C ATOM 923 O TYR A 64 1.560 -12.678 5.136 1.00 0.00 O ATOM 924 CB TYR A 64 2.175 -15.964 4.918 1.00 0.00 C ATOM 925 CG TYR A 64 3.269 -17.006 5.161 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.131 -16.865 6.229 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.394 -18.086 4.311 1.00 0.00 C ATOM 928 CE1 TYR A 64 5.161 -17.845 6.457 1.00 0.00 C ATOM 929 CE2 TYR A 64 4.424 -19.066 4.539 1.00 0.00 C ATOM 930 CZ TYR A 64 5.256 -18.898 5.601 1.00 0.00 C ATOM 931 OH TYR A 64 6.229 -19.823 5.817 1.00 0.00 O ATOM 0 H TYR A 64 1.645 -16.507 7.170 1.00 0.00 H new ATOM 0 HA TYR A 64 3.095 -14.382 6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.208 -16.467 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.329 -15.513 3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.033 -16.020 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.719 -18.196 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.843 -17.746 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.533 -19.915 3.881 1.00 0.00 H new ATOM 0 HH TYR A 64 6.749 -19.572 6.609 1.00 0.00 H new ATOM 941 N LEU A 65 -0.131 -14.119 5.557 1.00 0.00 N ATOM 942 CA LEU A 65 -1.172 -13.191 5.150 1.00 0.00 C ATOM 943 C LEU A 65 -1.205 -12.010 6.121 1.00 0.00 C ATOM 944 O LEU A 65 -0.705 -10.930 5.809 1.00 0.00 O ATOM 945 CB LEU A 65 -2.513 -13.915 5.017 1.00 0.00 C ATOM 946 CG LEU A 65 -2.601 -14.966 3.908 1.00 0.00 C ATOM 947 CD1 LEU A 65 -1.208 -15.445 3.495 1.00 0.00 C ATOM 948 CD2 LEU A 65 -3.506 -16.127 4.323 1.00 0.00 C ATOM 0 H LEU A 65 -0.470 -15.029 5.869 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.955 -12.785 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.738 -14.399 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.290 -13.170 4.847 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.055 -14.501 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.299 -16.191 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.626 -14.599 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.705 -15.886 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.551 -16.859 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.104 -16.599 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.508 -15.751 4.528 1.00 0.00 H new ATOM 960 N THR A 66 -1.799 -12.254 7.280 1.00 0.00 N ATOM 961 CA THR A 66 -1.903 -11.224 8.300 1.00 0.00 C ATOM 962 C THR A 66 -0.650 -10.346 8.301 1.00 0.00 C ATOM 963 O THR A 66 -0.741 -9.129 8.452 1.00 0.00 O ATOM 964 CB THR A 66 -2.165 -11.911 9.641 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.580 -12.081 9.674 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.872 -10.999 10.834 1.00 0.00 C ATOM 0 H THR A 66 -2.213 -13.150 7.535 1.00 0.00 H new ATOM 0 HA THR A 66 -2.734 -10.549 8.097 1.00 0.00 H new ATOM 0 HB THR A 66 -1.553 -12.810 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.796 -12.954 10.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.075 -11.536 11.761 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.825 -10.696 10.812 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.507 -10.115 10.781 1.00 0.00 H new ATOM 974 N LYS A 67 0.490 -10.998 8.131 1.00 0.00 N ATOM 975 CA LYS A 67 1.760 -10.292 8.110 1.00 0.00 C ATOM 976 C LYS A 67 1.570 -8.928 7.445 1.00 0.00 C ATOM 977 O LYS A 67 1.970 -7.903 7.996 1.00 0.00 O ATOM 978 CB LYS A 67 2.841 -11.152 7.451 1.00 0.00 C ATOM 979 CG LYS A 67 3.960 -11.481 8.442 1.00 0.00 C ATOM 980 CD LYS A 67 4.035 -12.986 8.704 1.00 0.00 C ATOM 981 CE LYS A 67 5.378 -13.368 9.328 1.00 0.00 C ATOM 982 NZ LYS A 67 6.183 -14.166 8.377 1.00 0.00 N ATOM 0 H LYS A 67 0.561 -12.008 8.006 1.00 0.00 H new ATOM 0 HA LYS A 67 2.108 -10.106 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.398 -12.075 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.255 -10.626 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.914 -11.129 8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.787 -10.953 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.224 -13.284 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.897 -13.529 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.924 -12.468 9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.212 -13.939 10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.092 -14.417 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.667 -15.034 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.357 -13.609 7.516 1.00 0.00 H new ATOM 996 N GLU A 68 0.958 -8.958 6.270 1.00 0.00 N ATOM 997 CA GLU A 68 0.709 -7.736 5.524 1.00 0.00 C ATOM 998 C GLU A 68 -0.349 -6.888 6.232 1.00 0.00 C ATOM 999 O GLU A 68 -0.179 -5.680 6.388 1.00 0.00 O ATOM 1000 CB GLU A 68 0.290 -8.047 4.086 1.00 0.00 C ATOM 1001 CG GLU A 68 1.324 -8.939 3.395 1.00 0.00 C ATOM 1002 CD GLU A 68 2.729 -8.671 3.937 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.228 -7.552 3.692 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.273 -9.592 4.584 1.00 0.00 O ATOM 0 H GLU A 68 0.627 -9.809 5.816 1.00 0.00 H new ATOM 0 HA GLU A 68 1.636 -7.164 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.681 -8.542 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.175 -7.118 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.065 -9.987 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.305 -8.759 2.320 1.00 0.00 H new ATOM 1011 N LEU A 69 -1.418 -7.555 6.643 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.504 -6.877 7.331 1.00 0.00 C ATOM 1013 C LEU A 69 -1.923 -5.888 8.343 1.00 0.00 C ATOM 1014 O LEU A 69 -2.336 -4.731 8.393 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.465 -7.895 7.948 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.938 -7.484 7.996 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -5.836 -8.599 7.457 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.342 -7.054 9.408 1.00 0.00 C ATOM 0 H LEU A 69 -1.555 -8.557 6.513 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.099 -6.298 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.386 -8.826 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.134 -8.107 8.965 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.073 -6.620 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.878 -8.281 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.567 -8.815 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.704 -9.497 8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.394 -6.767 9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.188 -7.883 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.732 -6.205 9.718 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.973 -6.380 9.125 1.00 0.00 N ATOM 1031 CA LEU A 70 -0.331 -5.554 10.133 1.00 0.00 C ATOM 1032 C LEU A 70 0.500 -4.470 9.444 1.00 0.00 C ATOM 1033 O LEU A 70 0.378 -3.290 9.769 1.00 0.00 O ATOM 1034 CB LEU A 70 0.474 -6.422 11.103 1.00 0.00 C ATOM 1035 CG LEU A 70 -0.330 -7.127 12.197 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -1.197 -6.131 12.968 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -1.155 -8.277 11.616 1.00 0.00 C ATOM 0 H LEU A 70 -0.633 -7.340 9.081 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.079 -5.045 10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.006 -7.178 10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.228 -5.796 11.580 1.00 0.00 H new ATOM 0 HG LEU A 70 0.371 -7.562 12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.758 -6.658 13.740 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.560 -5.378 13.433 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.891 -5.646 12.282 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.717 -8.761 12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.847 -7.887 10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.489 -9.003 11.149 1.00 0.00 H new ATOM 1049 N ALA A 71 1.326 -4.908 8.505 1.00 0.00 N ATOM 1050 CA ALA A 71 2.176 -3.990 7.767 1.00 0.00 C ATOM 1051 C ALA A 71 1.305 -2.935 7.081 1.00 0.00 C ATOM 1052 O ALA A 71 1.796 -1.875 6.697 1.00 0.00 O ATOM 1053 CB ALA A 71 3.034 -4.774 6.773 1.00 0.00 C ATOM 0 H ALA A 71 1.424 -5.888 8.238 1.00 0.00 H new ATOM 0 HA ALA A 71 2.855 -3.469 8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.671 -4.084 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.655 -5.489 7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.388 -5.309 6.077 1.00 0.00 H new ATOM 1059 N LEU A 72 0.028 -3.263 6.949 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.915 -2.357 6.316 1.00 0.00 C ATOM 1061 C LEU A 72 -1.375 -1.313 7.335 1.00 0.00 C ATOM 1062 O LEU A 72 -1.776 -0.211 6.962 1.00 0.00 O ATOM 1063 CB LEU A 72 -2.064 -3.141 5.677 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.706 -3.965 4.438 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.796 -4.994 4.131 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.421 -3.057 3.240 1.00 0.00 C ATOM 0 H LEU A 72 -0.375 -4.143 7.270 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.435 -1.817 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.481 -3.812 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.851 -2.437 5.406 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.791 -4.518 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.517 -5.566 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.908 -5.669 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.740 -4.481 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.169 -3.667 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.305 -2.459 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.586 -2.397 3.474 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.302 -1.696 8.601 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.706 -0.806 9.676 1.00 0.00 C ATOM 1080 C ASP A 73 -0.516 0.063 10.087 1.00 0.00 C ATOM 1081 O ASP A 73 -0.694 1.204 10.512 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.160 -1.598 10.905 1.00 0.00 C ATOM 1083 CG ASP A 73 -2.976 -0.799 11.923 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -2.503 0.296 12.296 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -4.054 -1.302 12.306 1.00 0.00 O ATOM 0 H ASP A 73 -0.969 -2.610 8.906 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.533 -0.194 9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.755 -2.448 10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.279 -2.002 11.404 1.00 0.00 H new ATOM 1090 N SER A 74 0.670 -0.508 9.945 1.00 0.00 N ATOM 1091 CA SER A 74 1.889 0.200 10.296 1.00 0.00 C ATOM 1092 C SER A 74 2.016 1.472 9.455 1.00 0.00 C ATOM 1093 O SER A 74 2.775 2.376 9.801 1.00 0.00 O ATOM 1094 CB SER A 74 3.119 -0.689 10.102 1.00 0.00 C ATOM 1095 OG SER A 74 4.287 -0.119 10.686 1.00 0.00 O ATOM 0 H SER A 74 0.813 -1.454 9.591 1.00 0.00 H new ATOM 0 HA SER A 74 1.834 0.472 11.350 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.933 -1.667 10.545 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.287 -0.848 9.037 1.00 0.00 H new ATOM 0 HG SER A 74 5.050 -0.717 10.542 1.00 0.00 H new ATOM 1101 N VAL A 75 1.261 1.501 8.367 1.00 0.00 N ATOM 1102 CA VAL A 75 1.279 2.647 7.473 1.00 0.00 C ATOM 1103 C VAL A 75 0.385 3.749 8.046 1.00 0.00 C ATOM 1104 O VAL A 75 -0.774 3.503 8.378 1.00 0.00 O ATOM 1105 CB VAL A 75 0.869 2.217 6.063 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.705 3.431 5.147 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.874 1.222 5.480 1.00 0.00 C ATOM 0 H VAL A 75 0.633 0.749 8.084 1.00 0.00 H new ATOM 0 HA VAL A 75 2.287 3.054 7.394 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.097 1.716 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.413 3.098 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.065 4.089 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.650 3.972 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.559 0.932 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.859 1.686 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.921 0.338 6.115 1.00 0.00 H new ATOM 1117 N ASP A 76 0.958 4.939 8.145 1.00 0.00 N ATOM 1118 CA ASP A 76 0.228 6.080 8.672 1.00 0.00 C ATOM 1119 C ASP A 76 -0.072 7.058 7.534 1.00 0.00 C ATOM 1120 O ASP A 76 0.810 7.793 7.095 1.00 0.00 O ATOM 1121 CB ASP A 76 1.051 6.820 9.728 1.00 0.00 C ATOM 1122 CG ASP A 76 1.409 5.995 10.965 1.00 0.00 C ATOM 1123 OD1 ASP A 76 0.488 5.758 11.776 1.00 0.00 O ATOM 1124 OD2 ASP A 76 2.596 5.619 11.072 1.00 0.00 O ATOM 0 H ASP A 76 1.920 5.138 7.869 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.692 5.712 9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.973 7.173 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.496 7.702 10.047 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.353 7.034 7.078 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.780 7.909 6.000 1.00 0.00 C ATOM 1131 C PRO A 77 -1.947 9.347 6.495 1.00 0.00 C ATOM 1132 O PRO A 77 -1.849 10.292 5.713 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.077 7.302 5.491 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.569 6.383 6.597 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.425 6.175 7.575 1.00 0.00 C ATOM 0 HA PRO A 77 -1.046 7.977 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.811 8.077 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.913 6.748 4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.429 6.822 7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.895 5.429 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.715 6.450 8.589 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.114 5.131 7.605 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.195 9.468 7.791 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.376 10.775 8.399 1.00 0.00 C ATOM 1145 C GLU A 78 -3.771 11.319 8.083 1.00 0.00 C ATOM 1146 O GLU A 78 -4.586 11.511 8.984 1.00 0.00 O ATOM 1147 CB GLU A 78 -1.290 11.749 7.940 1.00 0.00 C ATOM 1148 CG GLU A 78 0.084 11.077 7.938 1.00 0.00 C ATOM 1149 CD GLU A 78 1.169 12.047 8.410 1.00 0.00 C ATOM 1150 OE1 GLU A 78 1.110 12.432 9.598 1.00 0.00 O ATOM 1151 OE2 GLU A 78 2.034 12.383 7.572 1.00 0.00 O ATOM 0 H GLU A 78 -2.275 8.682 8.437 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.286 10.667 9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.522 12.113 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.273 12.617 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.066 10.202 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.319 10.724 6.934 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.002 11.553 6.799 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.284 12.072 6.353 1.00 0.00 C ATOM 1160 C GLY A 79 -5.377 12.063 4.825 1.00 0.00 C ATOM 1161 O GLY A 79 -6.024 12.927 4.235 1.00 0.00 O ATOM 0 H GLY A 79 -3.324 11.393 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.090 11.471 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.418 13.088 6.723 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.720 11.079 4.230 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.720 10.947 2.783 1.00 0.00 C ATOM 1167 C ARG A 80 -5.737 9.890 2.346 1.00 0.00 C ATOM 1168 O ARG A 80 -5.673 8.743 2.786 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.334 10.556 2.265 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.339 11.704 2.442 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.858 12.227 1.087 1.00 0.00 C ATOM 1172 NE ARG A 80 -2.893 13.096 0.483 1.00 0.00 N ATOM 1173 CZ ARG A 80 -3.256 14.286 0.978 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -2.671 14.757 2.088 1.00 0.00 N ATOM 1175 NH2 ARG A 80 -4.205 15.007 0.364 1.00 0.00 N ATOM 0 H ARG A 80 -4.184 10.365 4.723 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.993 11.915 2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.977 9.675 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.399 10.285 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.808 12.513 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.485 11.363 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.930 12.785 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.640 11.391 0.422 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.359 12.768 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.949 14.209 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.948 15.664 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.651 14.649 -0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.481 15.913 0.742 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.651 10.314 1.486 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.680 9.419 0.985 1.00 0.00 C ATOM 1191 C ALA A 81 -7.035 8.358 0.092 1.00 0.00 C ATOM 1192 O ALA A 81 -7.135 7.163 0.369 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.748 10.230 0.249 1.00 0.00 C ATOM 0 H ALA A 81 -6.700 11.266 1.123 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.173 8.902 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.520 9.559 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.195 10.950 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.291 10.761 -0.586 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.388 8.831 -0.963 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.727 7.938 -1.899 1.00 0.00 C ATOM 1201 C ASP A 82 -5.005 6.835 -1.122 1.00 0.00 C ATOM 1202 O ASP A 82 -4.963 5.687 -1.560 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.687 8.687 -2.734 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.393 8.072 -4.104 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -4.905 6.958 -4.348 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -3.664 8.730 -4.877 1.00 0.00 O ATOM 0 H ASP A 82 -6.308 9.822 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.486 7.520 -2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.029 9.712 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.757 8.738 -2.168 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.454 7.224 0.019 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.735 6.283 0.861 1.00 0.00 C ATOM 1213 C VAL A 83 -4.736 5.503 1.717 1.00 0.00 C ATOM 1214 O VAL A 83 -4.786 4.276 1.656 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.685 7.022 1.694 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.832 6.039 2.497 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.810 7.911 0.808 1.00 0.00 C ATOM 0 H VAL A 83 -4.491 8.177 0.380 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.196 5.559 0.250 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.209 7.665 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.094 6.590 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.472 5.467 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.322 5.359 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.072 8.425 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.299 7.296 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.435 8.646 0.301 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.508 6.249 2.494 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.505 5.643 3.360 1.00 0.00 C ATOM 1229 C ARG A 84 -7.202 4.486 2.640 1.00 0.00 C ATOM 1230 O ARG A 84 -7.521 3.470 3.255 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.553 6.669 3.795 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.273 7.172 5.213 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.541 7.136 6.068 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.255 7.671 7.418 1.00 0.00 N ATOM 1235 CZ ARG A 84 -8.216 8.977 7.716 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -8.443 9.889 6.762 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -7.949 9.371 8.969 1.00 0.00 N ATOM 0 H ARG A 84 -5.463 7.267 2.542 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.991 5.268 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.554 7.509 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.545 6.220 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.501 6.557 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.887 8.190 5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.327 7.724 5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.910 6.113 6.144 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.076 7.004 8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.646 9.590 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.413 10.883 6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.775 8.677 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.919 10.365 9.196 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.417 4.680 1.347 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.070 3.665 0.537 1.00 0.00 C ATOM 1253 C GLN A 85 -7.175 2.431 0.410 1.00 0.00 C ATOM 1254 O GLN A 85 -7.532 1.350 0.876 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.441 4.219 -0.840 1.00 0.00 C ATOM 1256 CG GLN A 85 -8.704 3.085 -1.833 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.037 3.289 -2.557 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -10.494 4.400 -2.770 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.634 2.158 -2.921 1.00 0.00 N ATOM 0 H GLN A 85 -7.151 5.524 0.840 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.994 3.369 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.328 4.847 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.635 4.852 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.894 3.039 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.714 2.131 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.197 1.260 -2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.529 2.188 -3.409 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.030 2.633 -0.225 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.081 1.550 -0.420 1.00 0.00 C ATOM 1270 C ALA A 86 -5.020 0.696 0.848 1.00 0.00 C ATOM 1271 O ALA A 86 -5.243 -0.512 0.798 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.716 2.128 -0.800 1.00 0.00 C ATOM 0 H ALA A 86 -5.738 3.531 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.400 0.904 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.005 1.315 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.807 2.700 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.362 2.781 -0.002 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.718 1.359 1.955 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.625 0.676 3.234 1.00 0.00 C ATOM 1280 C ARG A 87 -5.859 -0.201 3.458 1.00 0.00 C ATOM 1281 O ARG A 87 -5.747 -1.422 3.553 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.503 1.677 4.385 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.410 1.252 5.368 1.00 0.00 C ATOM 1284 CD ARG A 87 -2.800 2.468 6.068 1.00 0.00 C ATOM 1285 NE ARG A 87 -2.769 2.246 7.531 1.00 0.00 N ATOM 1286 CZ ARG A 87 -3.857 2.245 8.314 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.067 2.454 7.779 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -3.733 2.035 9.632 1.00 0.00 N ATOM 0 H ARG A 87 -4.535 2.362 1.992 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.731 0.053 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.276 2.667 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.457 1.754 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.828 0.572 6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.631 0.705 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.790 2.643 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.383 3.360 5.839 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.863 2.084 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.160 2.614 6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.895 2.453 8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.811 1.876 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.560 2.034 10.228 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.006 0.456 3.537 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.259 -0.248 3.748 1.00 0.00 C ATOM 1304 C ARG A 88 -8.352 -1.458 2.816 1.00 0.00 C ATOM 1305 O ARG A 88 -8.514 -2.588 3.273 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.457 0.671 3.500 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.720 -0.141 3.207 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.969 0.740 3.286 1.00 0.00 C ATOM 1309 NE ARG A 88 -13.076 -0.007 3.923 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.654 -1.092 3.391 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.234 -1.564 2.210 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.653 -1.706 4.041 1.00 0.00 N ATOM 0 H ARG A 88 -7.094 1.469 3.459 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.280 -0.581 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.621 1.303 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.244 1.334 2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.648 -0.587 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.803 -0.961 3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.752 1.642 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.263 1.059 2.286 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.421 0.325 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.474 -1.097 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.674 -2.390 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.973 -1.347 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.093 -2.532 3.636 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.245 -1.179 1.525 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.315 -2.230 0.524 1.00 0.00 C ATOM 1328 C ASP A 89 -7.302 -3.324 0.868 1.00 0.00 C ATOM 1329 O ASP A 89 -7.637 -4.508 0.868 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.974 -1.691 -0.866 1.00 0.00 C ATOM 1331 CG ASP A 89 -9.038 -1.943 -1.937 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -10.216 -2.086 -1.544 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -8.649 -1.987 -3.124 1.00 0.00 O ATOM 0 H ASP A 89 -8.110 -0.240 1.149 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.332 -2.623 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.803 -0.617 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.037 -2.141 -1.194 1.00 0.00 H new ATOM 1338 N GLY A 90 -6.083 -2.889 1.153 1.00 0.00 N ATOM 1339 CA GLY A 90 -5.019 -3.816 1.498 1.00 0.00 C ATOM 1340 C GLY A 90 -5.419 -4.691 2.688 1.00 0.00 C ATOM 1341 O GLY A 90 -5.321 -5.915 2.624 1.00 0.00 O ATOM 0 H GLY A 90 -5.809 -1.907 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.789 -4.447 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.112 -3.261 1.738 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.861 -4.028 3.747 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.275 -4.730 4.950 1.00 0.00 C ATOM 1347 C VAL A 91 -7.405 -5.703 4.604 1.00 0.00 C ATOM 1348 O VAL A 91 -7.372 -6.866 5.004 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.665 -3.724 6.035 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.461 -4.403 7.152 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -5.430 -3.016 6.594 1.00 0.00 C ATOM 0 H VAL A 91 -5.941 -3.012 3.797 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.450 -5.318 5.352 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.306 -2.970 5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.726 -3.666 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.370 -4.840 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.855 -5.188 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.734 -2.306 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.753 -3.753 7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.921 -2.484 5.791 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.377 -5.192 3.863 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.514 -6.001 3.458 1.00 0.00 C ATOM 1363 C ARG A 92 -9.056 -7.144 2.551 1.00 0.00 C ATOM 1364 O ARG A 92 -9.618 -8.238 2.592 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.554 -5.158 2.718 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.487 -6.042 1.888 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.767 -5.291 1.515 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.758 -6.232 0.946 1.00 0.00 N ATOM 1369 CZ ARG A 92 -15.059 -5.951 0.795 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -15.535 -4.756 1.170 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.885 -6.866 0.269 1.00 0.00 N ATOM 0 H ARG A 92 -8.401 -4.227 3.532 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.969 -6.409 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.137 -4.581 3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.051 -4.442 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.975 -6.367 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.739 -6.940 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.182 -4.802 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.541 -4.507 0.792 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.430 -7.151 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.907 -4.060 1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.526 -4.543 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.523 -7.776 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.876 -6.652 0.154 1.00 0.00 H new ATOM 1385 N LYS A 93 -8.039 -6.853 1.754 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.498 -7.844 0.838 1.00 0.00 C ATOM 1387 C LYS A 93 -7.080 -9.087 1.627 1.00 0.00 C ATOM 1388 O LYS A 93 -7.678 -10.151 1.476 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.370 -7.239 0.000 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.367 -8.313 -0.425 1.00 0.00 C ATOM 1391 CD LYS A 93 -4.887 -8.079 -1.859 1.00 0.00 C ATOM 1392 CE LYS A 93 -3.486 -8.658 -2.069 1.00 0.00 C ATOM 1393 NZ LYS A 93 -3.445 -9.481 -3.299 1.00 0.00 N ATOM 0 H LYS A 93 -7.575 -5.945 1.723 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.259 -8.160 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.787 -6.756 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.859 -6.466 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.514 -8.307 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.829 -9.297 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.584 -8.540 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.879 -7.010 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.759 -7.849 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.204 -9.265 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.898 -10.347 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.414 -9.735 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.995 -8.939 -4.064 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.057 -8.910 2.450 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.553 -10.003 3.262 1.00 0.00 C ATOM 1409 C VAL A 94 -6.727 -10.721 3.931 1.00 0.00 C ATOM 1410 O VAL A 94 -6.881 -11.933 3.789 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.523 -9.479 4.265 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.978 -10.613 5.135 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.389 -8.741 3.551 1.00 0.00 C ATOM 0 H VAL A 94 -5.564 -8.026 2.572 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.038 -10.734 2.639 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.025 -8.767 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.248 -10.213 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.797 -11.075 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.500 -11.360 4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.671 -8.379 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.890 -9.421 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.797 -7.896 2.996 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.525 -9.942 4.646 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.681 -10.487 5.337 1.00 0.00 C ATOM 1425 C GLN A 95 -9.360 -11.555 4.475 1.00 0.00 C ATOM 1426 O GLN A 95 -9.558 -12.684 4.921 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.667 -9.380 5.715 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.167 -8.591 6.926 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.337 -8.076 7.767 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -10.801 -8.722 8.692 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -10.786 -6.881 7.395 1.00 0.00 N ATOM 0 H GLN A 95 -7.394 -8.937 4.762 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.340 -10.955 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.805 -8.706 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.641 -9.816 5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.526 -9.225 7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.558 -7.751 6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.351 -6.394 6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.565 -6.451 7.894 1.00 0.00 H new ATOM 1440 N THR A 96 -9.697 -11.159 3.256 1.00 0.00 N ATOM 1441 CA THR A 96 -10.349 -12.068 2.329 1.00 0.00 C ATOM 1442 C THR A 96 -9.489 -13.314 2.110 1.00 0.00 C ATOM 1443 O THR A 96 -10.005 -14.430 2.071 1.00 0.00 O ATOM 1444 CB THR A 96 -10.641 -11.298 1.039 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.704 -10.418 1.394 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.242 -12.188 -0.051 1.00 0.00 C ATOM 0 H THR A 96 -9.531 -10.222 2.889 1.00 0.00 H new ATOM 0 HA THR A 96 -11.295 -12.431 2.730 1.00 0.00 H new ATOM 0 HB THR A 96 -9.721 -10.845 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.335 -9.605 1.797 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.430 -11.592 -0.944 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.545 -12.991 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.180 -12.615 0.304 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.191 -13.083 1.972 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.255 -14.173 1.759 1.00 0.00 C ATOM 1456 C ILE A 97 -7.208 -15.051 3.010 1.00 0.00 C ATOM 1457 O ILE A 97 -7.124 -16.275 2.911 1.00 0.00 O ATOM 1458 CB ILE A 97 -5.888 -13.630 1.336 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.022 -12.667 0.155 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -4.913 -14.771 1.039 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.772 -11.795 0.014 1.00 0.00 C ATOM 0 H ILE A 97 -7.766 -12.156 2.004 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.589 -14.807 0.937 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.473 -13.061 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.181 -13.232 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.898 -12.033 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.949 -14.358 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.785 -15.382 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.309 -15.387 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.893 -11.120 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.630 -11.213 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.902 -12.430 -0.150 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.263 -14.393 4.159 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.228 -15.100 5.428 1.00 0.00 C ATOM 1475 C LEU A 98 -8.520 -15.902 5.597 1.00 0.00 C ATOM 1476 O LEU A 98 -8.501 -17.010 6.130 1.00 0.00 O ATOM 1477 CB LEU A 98 -6.955 -14.125 6.576 1.00 0.00 C ATOM 1478 CG LEU A 98 -5.482 -13.877 6.909 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.306 -12.557 7.662 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -4.887 -15.059 7.677 1.00 0.00 C ATOM 0 H LEU A 98 -7.332 -13.378 4.238 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.405 -15.815 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.418 -13.169 6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.451 -14.500 7.471 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.930 -13.791 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.250 -12.404 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.668 -11.735 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.874 -12.590 8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.840 -14.857 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.436 -15.202 8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.961 -15.961 7.070 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.611 -15.311 5.132 1.00 0.00 N ATOM 1493 CA GLU A 99 -10.909 -15.957 5.224 1.00 0.00 C ATOM 1494 C GLU A 99 -11.037 -17.047 4.158 1.00 0.00 C ATOM 1495 O GLU A 99 -11.789 -18.004 4.331 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.040 -14.934 5.102 1.00 0.00 C ATOM 1497 CG GLU A 99 -12.773 -14.765 6.434 1.00 0.00 C ATOM 1498 CD GLU A 99 -13.229 -13.317 6.629 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.281 -12.971 6.048 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -12.517 -12.590 7.354 1.00 0.00 O ATOM 0 H GLU A 99 -9.623 -14.392 4.690 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.991 -16.425 6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.634 -13.974 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.744 -15.255 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.637 -15.429 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.117 -15.057 7.254 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.290 -16.864 3.079 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.311 -17.820 1.984 1.00 0.00 C ATOM 1509 C LYS A 100 -9.616 -19.110 2.426 1.00 0.00 C ATOM 1510 O LYS A 100 -10.210 -20.186 2.380 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.712 -17.200 0.721 1.00 0.00 C ATOM 1512 CG LYS A 100 -9.633 -18.228 -0.410 1.00 0.00 C ATOM 1513 CD LYS A 100 -9.742 -17.550 -1.777 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.376 -17.053 -2.253 1.00 0.00 C ATOM 1515 NZ LYS A 100 -8.520 -16.230 -3.474 1.00 0.00 N ATOM 0 H LYS A 100 -9.667 -16.069 2.939 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.337 -18.083 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.319 -16.352 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.715 -16.815 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.692 -18.774 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.434 -18.959 -0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.151 -18.252 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.437 -16.712 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.902 -16.467 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.724 -17.903 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.630 -15.724 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.742 -16.845 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.288 -15.542 -3.340 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.368 -18.958 2.844 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.586 -20.097 3.293 1.00 0.00 C ATOM 1531 C LEU A 101 -8.469 -21.014 4.142 1.00 0.00 C ATOM 1532 O LEU A 101 -8.506 -22.224 3.922 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.319 -19.628 4.011 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.518 -20.711 4.737 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.820 -21.637 3.739 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.534 -20.092 5.731 1.00 0.00 C ATOM 0 H LEU A 101 -7.879 -18.064 2.881 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.243 -20.683 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.667 -19.151 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.598 -18.863 4.736 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.213 -21.323 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.258 -22.398 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.566 -22.119 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.139 -21.055 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.978 -20.884 6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.840 -19.442 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.082 -19.509 6.471 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.159 -20.403 5.094 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.040 -21.149 5.976 1.00 0.00 C ATOM 1550 C GLU A 102 -10.827 -22.193 5.181 1.00 0.00 C ATOM 1551 O GLU A 102 -10.580 -23.391 5.309 1.00 0.00 O ATOM 1552 CB GLU A 102 -10.983 -20.210 6.732 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.201 -19.282 7.664 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.131 -18.271 8.337 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.110 -17.870 7.671 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -10.841 -17.921 9.501 1.00 0.00 O ATOM 0 H GLU A 102 -9.126 -19.400 5.274 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.429 -21.668 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.558 -19.617 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.698 -20.795 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.688 -19.872 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.433 -18.755 7.098 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.759 -21.700 4.379 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.584 -22.576 3.564 1.00 0.00 C ATOM 1565 C GLN A 103 -11.704 -23.516 2.738 1.00 0.00 C ATOM 1566 O GLN A 103 -12.077 -24.662 2.489 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.518 -21.766 2.662 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.683 -21.182 3.464 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.841 -22.178 3.553 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.927 -22.990 4.459 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.725 -22.070 2.565 1.00 0.00 N ATOM 0 H GLN A 103 -11.961 -20.706 4.276 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.205 -23.179 4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.960 -20.960 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.903 -22.403 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.345 -20.922 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.027 -20.260 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.593 -21.368 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.535 -22.689 2.535 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.553 -22.998 2.335 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.618 -23.777 1.543 1.00 0.00 C ATOM 1582 C LYS A 104 -9.164 -24.996 2.349 1.00 0.00 C ATOM 1583 O LYS A 104 -8.854 -26.041 1.780 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.464 -22.897 1.057 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.989 -21.616 0.406 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.769 -21.641 -1.108 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.360 -22.909 -1.727 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.291 -22.846 -3.204 1.00 0.00 N ATOM 0 H LYS A 104 -10.247 -22.047 2.543 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.103 -24.153 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.816 -22.644 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.856 -23.450 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.052 -21.504 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.484 -20.751 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.229 -20.763 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.702 -21.589 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.816 -23.783 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.396 -23.026 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.696 -23.714 -3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.830 -22.023 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.299 -22.756 -3.502 1.00 0.00 H new ATOM 1602 N ALA A 105 -9.140 -24.821 3.662 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.730 -25.893 4.553 1.00 0.00 C ATOM 1604 C ALA A 105 -9.963 -26.684 4.993 1.00 0.00 C ATOM 1605 O ALA A 105 -9.931 -27.913 5.044 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.959 -25.307 5.737 1.00 0.00 C ATOM 0 H ALA A 105 -9.398 -23.952 4.130 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.061 -26.584 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.652 -26.112 6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.077 -24.781 5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.599 -24.610 6.279 1.00 0.00 H new ATOM 1612 N SER A 106 -11.021 -25.948 5.300 1.00 0.00 N ATOM 1613 CA SER A 106 -12.262 -26.565 5.735 1.00 0.00 C ATOM 1614 C SER A 106 -13.036 -27.093 4.525 1.00 0.00 C ATOM 1615 O SER A 106 -14.152 -27.589 4.666 1.00 0.00 O ATOM 1616 CB SER A 106 -13.122 -25.577 6.525 1.00 0.00 C ATOM 1617 OG SER A 106 -14.462 -26.037 6.677 1.00 0.00 O ATOM 0 H SER A 106 -11.044 -24.929 5.256 1.00 0.00 H new ATOM 0 HA SER A 106 -12.017 -27.398 6.394 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.680 -25.418 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.125 -24.613 6.017 1.00 0.00 H new ATOM 0 HG SER A 106 -14.574 -26.883 6.195 1.00 0.00 H new