USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 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 64 SER OG : rot 180:sc= 0.00137 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0105 USER MOD Set 2.1: A 39 HIS : no HE2:sc= -4.37! C(o=-4.4!,f=-4.2!) USER MOD Set 2.2: A 74 TYR OH : rot 150:sc= 0 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 GLN : amide:sc= -2.47 K(o=-2.5,f=-3.8!) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.102) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -8:sc= -3.66 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.018) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -5.1! K(o=-5.1!,f=-1.8) USER MOD Single : A 18 SER OG : rot -46:sc= 0.155 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -169:sc= -0.213 USER MOD Single : A 26 HIS : no HE2:sc= -3.88 K(o=-3.9,f=-8.6!) USER MOD Single : A 27 HIS : no HD1:sc= -1.95 K(o=-2,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 60:sc= -1.42 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.211) USER MOD Single : A 55 THR OG1 : rot -67:sc= -0.427 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-3.3!) USER MOD Single : A 71 SER OG : rot 52:sc= 1.19 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -9:sc= 1.02 USER MOD Single : A 80 HIS : no HD1:sc= -4.94 K(o=-4.9,f=-7.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0226 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.914 -4.202 35.081 1.00 0.00 N ATOM 2 CA ASP A 1 1.130 -3.824 36.506 1.00 0.00 C ATOM 3 C ASP A 1 -0.095 -3.071 37.026 1.00 0.00 C ATOM 4 O ASP A 1 -0.174 -1.860 36.936 1.00 0.00 O ATOM 5 CB ASP A 1 2.365 -2.924 36.612 1.00 0.00 C ATOM 6 CG ASP A 1 3.623 -3.790 36.694 1.00 0.00 C ATOM 7 OD1 ASP A 1 3.694 -4.614 37.592 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.494 -3.616 35.858 1.00 0.00 O ATOM 0 H1 ASP A 1 1.747 -4.714 34.728 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.075 -4.813 35.007 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.768 -3.343 34.512 1.00 0.00 H new ATOM 0 HA ASP A 1 1.282 -4.724 37.102 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.422 -2.263 35.747 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.290 -2.289 37.494 1.00 0.00 H new ATOM 9 N LYS A 2 -1.051 -3.781 37.570 1.00 0.00 N ATOM 10 CA LYS A 2 -2.278 -3.117 38.100 1.00 0.00 C ATOM 11 C LYS A 2 -3.155 -4.153 38.806 1.00 0.00 C ATOM 12 O LYS A 2 -2.863 -5.335 38.799 1.00 0.00 O ATOM 13 CB LYS A 2 -3.058 -2.484 36.944 1.00 0.00 C ATOM 14 CG LYS A 2 -3.369 -3.546 35.886 1.00 0.00 C ATOM 15 CD LYS A 2 -4.745 -4.156 36.163 1.00 0.00 C ATOM 16 CE LYS A 2 -5.348 -4.672 34.856 1.00 0.00 C ATOM 17 NZ LYS A 2 -4.514 -5.790 34.331 1.00 0.00 N ATOM 0 H LYS A 2 -1.033 -4.796 37.670 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.993 -2.341 38.810 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.984 -2.045 37.315 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.477 -1.675 36.501 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.351 -3.100 34.892 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.605 -4.324 35.901 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.655 -4.971 36.881 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.402 -3.409 36.609 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.369 -5.014 35.024 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.398 -3.867 34.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.009 -6.251 33.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.603 -5.416 33.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.347 -6.484 35.088 1.00 0.00 H new ATOM 18 N ASP A 3 -4.229 -3.717 39.416 1.00 0.00 N ATOM 19 CA ASP A 3 -5.133 -4.668 40.127 1.00 0.00 C ATOM 20 C ASP A 3 -6.569 -4.460 39.646 1.00 0.00 C ATOM 21 O ASP A 3 -6.994 -3.348 39.395 1.00 0.00 O ATOM 22 CB ASP A 3 -5.057 -4.414 41.634 1.00 0.00 C ATOM 23 CG ASP A 3 -5.343 -2.939 41.920 1.00 0.00 C ATOM 24 OD1 ASP A 3 -4.407 -2.158 41.895 1.00 0.00 O ATOM 25 OD2 ASP A 3 -6.495 -2.615 42.160 1.00 0.00 O ATOM 0 H ASP A 3 -4.518 -2.739 39.451 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.824 -5.692 39.916 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.778 -5.043 42.156 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.070 -4.683 42.009 1.00 0.00 H new ATOM 26 N VAL A 4 -7.320 -5.525 39.517 1.00 0.00 N ATOM 27 CA VAL A 4 -8.733 -5.402 39.052 1.00 0.00 C ATOM 28 C VAL A 4 -9.679 -5.651 40.233 1.00 0.00 C ATOM 29 O VAL A 4 -9.745 -6.740 40.771 1.00 0.00 O ATOM 30 CB VAL A 4 -8.990 -6.430 37.929 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.485 -6.519 37.594 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.242 -5.998 36.669 1.00 0.00 C ATOM 0 H VAL A 4 -7.013 -6.477 39.715 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.913 -4.400 38.662 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.642 -7.404 38.274 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.637 -7.250 36.800 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.039 -6.826 38.481 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.842 -5.544 37.263 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.421 -6.721 35.874 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.597 -5.017 36.354 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.174 -5.947 36.880 1.00 0.00 H new ATOM 33 N LYS A 5 -10.427 -4.650 40.617 1.00 0.00 N ATOM 34 CA LYS A 5 -11.396 -4.817 41.736 1.00 0.00 C ATOM 35 C LYS A 5 -12.772 -5.097 41.133 1.00 0.00 C ATOM 36 O LYS A 5 -13.318 -4.275 40.419 1.00 0.00 O ATOM 37 CB LYS A 5 -11.448 -3.535 42.570 1.00 0.00 C ATOM 38 CG LYS A 5 -10.208 -3.454 43.462 1.00 0.00 C ATOM 39 CD LYS A 5 -9.982 -2.003 43.893 1.00 0.00 C ATOM 40 CE LYS A 5 -9.440 -1.198 42.711 1.00 0.00 C ATOM 41 NZ LYS A 5 -8.807 0.055 43.212 1.00 0.00 N ATOM 0 H LYS A 5 -10.407 -3.719 40.200 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.091 -5.641 42.381 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.495 -2.665 41.915 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.350 -3.523 43.182 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.336 -4.089 44.339 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.335 -3.825 42.924 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.917 -1.567 44.245 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.279 -1.965 44.725 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.711 -1.790 42.158 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.248 -0.959 42.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.438 0.603 42.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.515 0.622 43.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.026 -0.184 43.856 1.00 0.00 H new ATOM 42 N TYR A 6 -13.327 -6.252 41.392 1.00 0.00 N ATOM 43 CA TYR A 6 -14.659 -6.587 40.808 1.00 0.00 C ATOM 44 C TYR A 6 -15.766 -5.906 41.607 1.00 0.00 C ATOM 45 O TYR A 6 -15.678 -5.754 42.812 1.00 0.00 O ATOM 46 CB TYR A 6 -14.872 -8.100 40.834 1.00 0.00 C ATOM 47 CG TYR A 6 -13.711 -8.781 40.146 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.695 -8.898 38.750 1.00 0.00 C ATOM 49 CD2 TYR A 6 -12.647 -9.289 40.902 1.00 0.00 C ATOM 50 CE1 TYR A 6 -12.619 -9.524 38.112 1.00 0.00 C ATOM 51 CE2 TYR A 6 -11.570 -9.915 40.262 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.556 -10.033 38.868 1.00 0.00 C ATOM 53 OH TYR A 6 -10.494 -10.649 38.239 1.00 0.00 O ATOM 0 H TYR A 6 -12.916 -6.976 41.981 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.689 -6.234 39.777 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -14.955 -8.449 41.863 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -15.806 -8.356 40.334 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.514 -8.505 38.166 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.657 -9.198 41.978 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.608 -9.615 37.036 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -10.750 -10.307 40.845 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.843 -10.943 38.909 1.00 0.00 H new ATOM 54 N TYR A 7 -16.806 -5.494 40.935 1.00 0.00 N ATOM 55 CA TYR A 7 -17.940 -4.814 41.629 1.00 0.00 C ATOM 56 C TYR A 7 -19.241 -5.511 41.229 1.00 0.00 C ATOM 57 O TYR A 7 -19.511 -5.710 40.060 1.00 0.00 O ATOM 58 CB TYR A 7 -18.010 -3.332 41.219 1.00 0.00 C ATOM 59 CG TYR A 7 -16.615 -2.744 41.114 1.00 0.00 C ATOM 60 CD1 TYR A 7 -15.912 -2.381 42.269 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.026 -2.568 39.857 1.00 0.00 C ATOM 62 CE1 TYR A 7 -14.623 -1.844 42.165 1.00 0.00 C ATOM 63 CE2 TYR A 7 -14.739 -2.030 39.750 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.037 -1.669 40.905 1.00 0.00 C ATOM 65 OH TYR A 7 -12.766 -1.139 40.804 1.00 0.00 O ATOM 0 H TYR A 7 -16.921 -5.600 39.927 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.791 -4.870 42.707 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.524 -3.237 40.263 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -18.593 -2.773 41.951 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.364 -2.515 43.241 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.567 -2.849 38.966 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.081 -1.565 43.056 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.288 -1.894 38.778 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.472 -0.824 41.684 1.00 0.00 H new ATOM 66 N THR A 8 -20.045 -5.891 42.190 1.00 0.00 N ATOM 67 CA THR A 8 -21.329 -6.586 41.872 1.00 0.00 C ATOM 68 C THR A 8 -22.208 -5.687 40.999 1.00 0.00 C ATOM 69 O THR A 8 -22.392 -4.517 41.282 1.00 0.00 O ATOM 70 CB THR A 8 -22.067 -6.912 43.173 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.389 -5.705 43.847 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.174 -7.776 44.065 1.00 0.00 C ATOM 0 H THR A 8 -19.866 -5.749 43.184 1.00 0.00 H new ATOM 0 HA THR A 8 -21.113 -7.508 41.332 1.00 0.00 H new ATOM 0 HB THR A 8 -22.984 -7.456 42.946 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.863 -5.912 44.679 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.700 -8.008 44.991 1.00 0.00 H new ATOM 0 HG22 THR A 8 -20.928 -8.702 43.546 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.256 -7.234 44.295 1.00 0.00 H new ATOM 73 N LEU A 9 -22.755 -6.232 39.938 1.00 0.00 N ATOM 74 CA LEU A 9 -23.630 -5.410 39.037 1.00 0.00 C ATOM 75 C LEU A 9 -24.820 -4.846 39.825 1.00 0.00 C ATOM 76 O LEU A 9 -25.442 -3.890 39.407 1.00 0.00 O ATOM 77 CB LEU A 9 -24.160 -6.231 37.835 1.00 0.00 C ATOM 78 CG LEU A 9 -24.370 -7.720 38.172 1.00 0.00 C ATOM 79 CD1 LEU A 9 -25.235 -7.876 39.425 1.00 0.00 C ATOM 80 CD2 LEU A 9 -25.073 -8.401 36.996 1.00 0.00 C ATOM 0 H LEU A 9 -22.635 -7.205 39.657 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.017 -4.596 38.650 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.104 -5.803 37.497 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -23.457 -6.147 37.006 1.00 0.00 H new ATOM 0 HG LEU A 9 -23.398 -8.178 38.356 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -25.370 -8.935 39.644 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -24.744 -7.391 40.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -26.207 -7.414 39.256 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -25.226 -9.456 37.225 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -26.037 -7.924 36.823 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -24.457 -8.310 36.101 1.00 0.00 H new ATOM 81 N GLU A 10 -25.136 -5.422 40.963 1.00 0.00 N ATOM 82 CA GLU A 10 -26.277 -4.906 41.772 1.00 0.00 C ATOM 83 C GLU A 10 -25.920 -3.518 42.307 1.00 0.00 C ATOM 84 O GLU A 10 -26.739 -2.618 42.318 1.00 0.00 O ATOM 85 CB GLU A 10 -26.544 -5.854 42.942 1.00 0.00 C ATOM 86 CG GLU A 10 -27.406 -7.025 42.467 1.00 0.00 C ATOM 87 CD GLU A 10 -28.874 -6.596 42.425 1.00 0.00 C ATOM 88 OE1 GLU A 10 -29.360 -6.122 43.438 1.00 0.00 O ATOM 89 OE2 GLU A 10 -29.485 -6.746 41.380 1.00 0.00 O ATOM 0 H GLU A 10 -24.651 -6.226 41.362 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.171 -4.842 41.151 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.602 -6.224 43.346 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.049 -5.321 43.747 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.083 -7.350 41.478 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.284 -7.875 43.138 1.00 0.00 H new ATOM 90 N GLU A 11 -24.699 -3.344 42.744 1.00 0.00 N ATOM 91 CA GLU A 11 -24.269 -2.018 43.272 1.00 0.00 C ATOM 92 C GLU A 11 -24.230 -1.008 42.125 1.00 0.00 C ATOM 93 O GLU A 11 -24.489 0.166 42.310 1.00 0.00 O ATOM 94 CB GLU A 11 -22.875 -2.141 43.892 1.00 0.00 C ATOM 95 CG GLU A 11 -22.521 -0.840 44.614 1.00 0.00 C ATOM 96 CD GLU A 11 -23.113 -0.860 46.024 1.00 0.00 C ATOM 97 OE1 GLU A 11 -24.264 -1.242 46.156 1.00 0.00 O ATOM 98 OE2 GLU A 11 -22.407 -0.491 46.947 1.00 0.00 O ATOM 0 H GLU A 11 -23.980 -4.067 42.757 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.974 -1.682 44.033 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.849 -2.976 44.592 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.138 -2.351 43.117 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.438 -0.723 44.665 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -22.908 0.014 44.058 1.00 0.00 H new ATOM 99 N ILE A 12 -23.917 -1.463 40.938 1.00 0.00 N ATOM 100 CA ILE A 12 -23.868 -0.539 39.765 1.00 0.00 C ATOM 101 C ILE A 12 -25.298 -0.172 39.350 1.00 0.00 C ATOM 102 O ILE A 12 -25.535 0.874 38.775 1.00 0.00 O ATOM 103 CB ILE A 12 -23.157 -1.223 38.592 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.809 -1.782 39.057 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.919 -0.204 37.474 1.00 0.00 C ATOM 106 CD1 ILE A 12 -21.279 -2.770 38.016 1.00 0.00 C ATOM 0 H ILE A 12 -23.693 -2.436 40.731 1.00 0.00 H new ATOM 0 HA ILE A 12 -23.320 0.363 40.039 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.780 -2.037 38.223 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -21.096 -0.970 39.199 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.922 -2.279 40.021 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -22.413 -0.690 36.640 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.875 0.195 37.136 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -22.299 0.610 37.849 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.320 -3.168 38.347 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.989 -3.588 37.896 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -21.150 -2.259 37.062 1.00 0.00 H new ATOM 107 N GLN A 13 -26.251 -1.024 39.642 1.00 0.00 N ATOM 108 CA GLN A 13 -27.669 -0.732 39.273 1.00 0.00 C ATOM 109 C GLN A 13 -28.139 0.531 39.999 1.00 0.00 C ATOM 110 O GLN A 13 -29.030 1.222 39.540 1.00 0.00 O ATOM 111 CB GLN A 13 -28.551 -1.917 39.676 1.00 0.00 C ATOM 112 CG GLN A 13 -29.650 -2.126 38.625 1.00 0.00 C ATOM 113 CD GLN A 13 -29.797 -3.619 38.317 1.00 0.00 C ATOM 114 OE1 GLN A 13 -30.007 -3.999 37.183 1.00 0.00 O ATOM 115 NE2 GLN A 13 -29.697 -4.488 39.286 1.00 0.00 N ATOM 0 H GLN A 13 -26.105 -1.912 40.122 1.00 0.00 H new ATOM 0 HA GLN A 13 -27.741 -0.574 38.197 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -27.946 -2.819 39.767 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -28.999 -1.734 40.653 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -30.596 -1.726 38.990 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -29.403 -1.580 37.714 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -29.521 -4.171 40.239 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -29.795 -5.484 39.090 1.00 0.00 H new ATOM 116 N LYS A 14 -27.546 0.844 41.127 1.00 0.00 N ATOM 117 CA LYS A 14 -27.952 2.066 41.882 1.00 0.00 C ATOM 118 C LYS A 14 -27.094 3.250 41.420 1.00 0.00 C ATOM 119 O LYS A 14 -26.526 3.974 42.217 1.00 0.00 O ATOM 120 CB LYS A 14 -27.745 1.821 43.384 1.00 0.00 C ATOM 121 CG LYS A 14 -29.091 1.519 44.048 1.00 0.00 C ATOM 122 CD LYS A 14 -28.859 1.052 45.486 1.00 0.00 C ATOM 123 CE LYS A 14 -28.409 2.238 46.341 1.00 0.00 C ATOM 124 NZ LYS A 14 -27.920 1.742 47.659 1.00 0.00 N ATOM 0 H LYS A 14 -26.796 0.302 41.556 1.00 0.00 H new ATOM 0 HA LYS A 14 -29.002 2.290 41.696 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -27.059 0.988 43.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -27.289 2.697 43.846 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -29.720 2.409 44.041 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -29.621 0.750 43.486 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -29.775 0.624 45.893 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -28.103 0.267 45.507 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.618 2.788 45.831 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -29.238 2.931 46.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -27.614 2.548 48.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.687 1.235 48.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -27.118 1.097 47.511 1.00 0.00 H new ATOM 125 N HIS A 15 -26.995 3.448 40.131 1.00 0.00 N ATOM 126 CA HIS A 15 -26.178 4.573 39.595 1.00 0.00 C ATOM 127 C HIS A 15 -26.880 5.159 38.366 1.00 0.00 C ATOM 128 O HIS A 15 -28.012 4.824 38.076 1.00 0.00 O ATOM 129 CB HIS A 15 -24.795 4.041 39.202 1.00 0.00 C ATOM 130 CG HIS A 15 -23.936 3.916 40.431 1.00 0.00 C ATOM 131 ND1 HIS A 15 -22.813 4.704 40.631 1.00 0.00 N ATOM 132 CD2 HIS A 15 -24.019 3.097 41.532 1.00 0.00 C ATOM 133 CE1 HIS A 15 -22.270 4.347 41.810 1.00 0.00 C ATOM 134 NE2 HIS A 15 -22.966 3.374 42.401 1.00 0.00 N ATOM 0 H HIS A 15 -27.450 2.872 39.422 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.065 5.351 40.350 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.892 3.071 38.713 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -24.326 4.714 38.484 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -24.784 2.353 41.698 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -21.379 4.794 42.227 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -22.769 2.928 43.297 1.00 0.00 H new ATOM 135 N LYS A 16 -26.220 6.033 37.642 1.00 0.00 N ATOM 136 CA LYS A 16 -26.849 6.647 36.429 1.00 0.00 C ATOM 137 C LYS A 16 -28.012 7.544 36.858 1.00 0.00 C ATOM 138 O LYS A 16 -29.067 7.541 36.251 1.00 0.00 O ATOM 139 CB LYS A 16 -27.360 5.550 35.484 1.00 0.00 C ATOM 140 CG LYS A 16 -27.146 5.984 34.032 1.00 0.00 C ATOM 141 CD LYS A 16 -27.527 4.837 33.094 1.00 0.00 C ATOM 142 CE LYS A 16 -26.426 3.774 33.117 1.00 0.00 C ATOM 143 NZ LYS A 16 -27.022 2.437 32.837 1.00 0.00 N ATOM 0 H LYS A 16 -25.270 6.348 37.840 1.00 0.00 H new ATOM 0 HA LYS A 16 -26.103 7.243 35.903 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -26.833 4.615 35.676 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -28.418 5.363 35.666 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.750 6.864 33.812 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.105 6.265 33.875 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.476 4.400 33.403 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.664 5.212 32.080 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -25.664 4.008 32.373 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -25.932 3.768 34.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -26.275 1.714 32.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.733 2.215 33.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.474 2.448 31.901 1.00 0.00 H new ATOM 144 N ASP A 17 -27.819 8.321 37.893 1.00 0.00 N ATOM 145 CA ASP A 17 -28.901 9.233 38.365 1.00 0.00 C ATOM 146 C ASP A 17 -28.746 10.587 37.664 1.00 0.00 C ATOM 147 O ASP A 17 -28.688 11.627 38.295 1.00 0.00 O ATOM 148 CB ASP A 17 -28.789 9.414 39.882 1.00 0.00 C ATOM 149 CG ASP A 17 -30.088 10.014 40.421 1.00 0.00 C ATOM 150 OD1 ASP A 17 -31.102 9.336 40.361 1.00 0.00 O ATOM 151 OD2 ASP A 17 -30.050 11.143 40.886 1.00 0.00 O ATOM 0 H ASP A 17 -26.955 8.362 38.433 1.00 0.00 H new ATOM 0 HA ASP A 17 -29.877 8.809 38.130 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -28.593 8.454 40.360 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -27.948 10.066 40.120 1.00 0.00 H new ATOM 152 N SER A 18 -28.671 10.576 36.355 1.00 0.00 N ATOM 153 CA SER A 18 -28.509 11.846 35.576 1.00 0.00 C ATOM 154 C SER A 18 -27.100 12.432 35.779 1.00 0.00 C ATOM 155 O SER A 18 -26.815 13.520 35.317 1.00 0.00 O ATOM 156 CB SER A 18 -29.558 12.879 36.014 1.00 0.00 C ATOM 157 OG SER A 18 -29.700 13.863 34.998 1.00 0.00 O ATOM 0 H SER A 18 -28.716 9.731 35.786 1.00 0.00 H new ATOM 0 HA SER A 18 -28.649 11.614 34.520 1.00 0.00 H new ATOM 0 HB2 SER A 18 -30.514 12.388 36.198 1.00 0.00 H new ATOM 0 HB3 SER A 18 -29.255 13.347 36.950 1.00 0.00 H new ATOM 0 HG SER A 18 -28.814 14.149 34.693 1.00 0.00 H new ATOM 158 N LYS A 19 -26.215 11.723 36.449 1.00 0.00 N ATOM 159 CA LYS A 19 -24.831 12.247 36.663 1.00 0.00 C ATOM 160 C LYS A 19 -24.026 11.243 37.491 1.00 0.00 C ATOM 161 O LYS A 19 -24.576 10.455 38.235 1.00 0.00 O ATOM 162 CB LYS A 19 -24.883 13.578 37.420 1.00 0.00 C ATOM 163 CG LYS A 19 -23.703 14.454 36.994 1.00 0.00 C ATOM 164 CD LYS A 19 -23.589 15.653 37.939 1.00 0.00 C ATOM 165 CE LYS A 19 -23.168 15.170 39.328 1.00 0.00 C ATOM 166 NZ LYS A 19 -22.665 16.325 40.124 1.00 0.00 N ATOM 0 H LYS A 19 -26.396 10.805 36.855 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.359 12.397 35.692 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -25.823 14.090 37.213 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -24.847 13.399 38.495 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.780 13.874 37.013 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.843 14.797 35.969 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.859 16.365 37.553 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.544 16.175 37.998 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -24.014 14.706 39.835 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.392 14.409 39.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.379 15.997 41.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.847 16.749 39.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.418 17.036 40.218 1.00 0.00 H new ATOM 167 N SER A 20 -22.722 11.281 37.373 1.00 0.00 N ATOM 168 CA SER A 20 -21.846 10.349 38.156 1.00 0.00 C ATOM 169 C SER A 20 -22.327 8.897 38.025 1.00 0.00 C ATOM 170 O SER A 20 -23.179 8.451 38.770 1.00 0.00 O ATOM 171 CB SER A 20 -21.872 10.754 39.630 1.00 0.00 C ATOM 172 OG SER A 20 -20.843 11.704 39.875 1.00 0.00 O ATOM 0 H SER A 20 -22.220 11.924 36.761 1.00 0.00 H new ATOM 0 HA SER A 20 -20.832 10.415 37.761 1.00 0.00 H new ATOM 0 HB2 SER A 20 -22.843 11.179 39.885 1.00 0.00 H new ATOM 0 HB3 SER A 20 -21.731 9.877 40.262 1.00 0.00 H new ATOM 0 HG SER A 20 -20.858 11.967 40.819 1.00 0.00 H new ATOM 173 N THR A 21 -21.780 8.160 37.090 1.00 0.00 N ATOM 174 CA THR A 21 -22.195 6.738 36.916 1.00 0.00 C ATOM 175 C THR A 21 -21.069 5.952 36.232 1.00 0.00 C ATOM 176 O THR A 21 -20.059 6.514 35.827 1.00 0.00 O ATOM 177 CB THR A 21 -23.477 6.681 36.074 1.00 0.00 C ATOM 178 OG1 THR A 21 -23.957 5.344 36.035 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.206 7.167 34.647 1.00 0.00 C ATOM 0 H THR A 21 -21.064 8.484 36.440 1.00 0.00 H new ATOM 0 HA THR A 21 -22.391 6.290 37.890 1.00 0.00 H new ATOM 0 HB THR A 21 -24.224 7.331 36.529 1.00 0.00 H new ATOM 0 HG1 THR A 21 -24.668 5.271 35.364 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.127 7.119 34.065 1.00 0.00 H new ATOM 0 HG22 THR A 21 -22.847 8.196 34.675 1.00 0.00 H new ATOM 0 HG23 THR A 21 -22.451 6.532 34.184 1.00 0.00 H new ATOM 180 N TRP A 22 -21.230 4.658 36.101 1.00 0.00 N ATOM 181 CA TRP A 22 -20.170 3.839 35.437 1.00 0.00 C ATOM 182 C TRP A 22 -20.793 3.056 34.278 1.00 0.00 C ATOM 183 O TRP A 22 -21.998 2.912 34.193 1.00 0.00 O ATOM 184 CB TRP A 22 -19.514 2.828 36.412 1.00 0.00 C ATOM 185 CG TRP A 22 -19.492 3.321 37.836 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.308 4.603 38.234 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.631 2.537 39.058 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.344 4.655 39.616 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.540 3.407 40.170 1.00 0.00 C ATOM 190 CE3 TRP A 22 -19.831 1.167 39.306 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.644 2.937 41.479 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -19.933 0.690 40.623 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.841 1.573 41.707 1.00 0.00 C ATOM 0 H TRP A 22 -22.045 4.136 36.423 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.399 4.524 35.085 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.056 1.883 36.368 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.494 2.626 36.086 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -19.158 5.448 37.578 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -19.238 5.512 40.159 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -19.907 0.477 38.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.573 3.623 42.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.083 -0.364 40.801 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -19.922 1.200 42.717 1.00 0.00 H new ATOM 194 N VAL A 23 -19.976 2.544 33.390 1.00 0.00 N ATOM 195 CA VAL A 23 -20.513 1.759 32.233 1.00 0.00 C ATOM 196 C VAL A 23 -19.879 0.363 32.223 1.00 0.00 C ATOM 197 O VAL A 23 -18.867 0.130 32.850 1.00 0.00 O ATOM 198 CB VAL A 23 -20.182 2.485 30.921 1.00 0.00 C ATOM 199 CG1 VAL A 23 -20.756 1.709 29.730 1.00 0.00 C ATOM 200 CG2 VAL A 23 -20.796 3.882 30.946 1.00 0.00 C ATOM 0 H VAL A 23 -18.960 2.635 33.416 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.595 1.664 32.330 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.099 2.554 30.819 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -20.516 2.233 28.805 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.323 0.709 29.704 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.838 1.633 29.833 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -20.562 4.399 30.015 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.878 3.802 31.055 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -20.387 4.444 31.786 1.00 0.00 H new ATOM 201 N ILE A 24 -20.473 -0.564 31.515 1.00 0.00 N ATOM 202 CA ILE A 24 -19.908 -1.944 31.460 1.00 0.00 C ATOM 203 C ILE A 24 -19.254 -2.173 30.096 1.00 0.00 C ATOM 204 O ILE A 24 -19.808 -1.833 29.067 1.00 0.00 O ATOM 205 CB ILE A 24 -21.030 -2.964 31.670 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.787 -2.642 32.970 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.432 -4.370 31.761 1.00 0.00 C ATOM 208 CD1 ILE A 24 -23.291 -2.808 32.744 1.00 0.00 C ATOM 0 H ILE A 24 -21.325 -0.423 30.973 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.160 -2.063 32.244 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.722 -2.917 30.829 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.454 -3.304 33.770 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -21.567 -1.623 33.288 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -21.231 -5.096 31.911 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.901 -4.600 30.837 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.738 -4.416 32.600 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.825 -2.579 33.666 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.618 -2.128 31.957 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.503 -3.835 32.447 1.00 0.00 H new ATOM 209 N LEU A 25 -18.076 -2.743 30.084 1.00 0.00 N ATOM 210 CA LEU A 25 -17.371 -2.995 28.793 1.00 0.00 C ATOM 211 C LEU A 25 -16.836 -4.433 28.784 1.00 0.00 C ATOM 212 O LEU A 25 -15.646 -4.667 28.871 1.00 0.00 O ATOM 213 CB LEU A 25 -16.213 -1.990 28.650 1.00 0.00 C ATOM 214 CG LEU A 25 -16.316 -1.234 27.318 1.00 0.00 C ATOM 215 CD1 LEU A 25 -16.211 -2.218 26.151 1.00 0.00 C ATOM 216 CD2 LEU A 25 -17.656 -0.490 27.239 1.00 0.00 C ATOM 0 H LEU A 25 -17.571 -3.046 30.917 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.057 -2.869 27.956 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.234 -1.282 29.479 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.259 -2.515 28.704 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.500 -0.514 27.259 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.285 -1.675 25.209 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.253 -2.736 26.197 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -17.020 -2.946 26.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.721 0.044 26.291 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.475 -1.206 27.309 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.726 0.222 28.061 1.00 0.00 H new ATOM 217 N HIS A 26 -17.717 -5.399 28.688 1.00 0.00 N ATOM 218 CA HIS A 26 -17.282 -6.829 28.677 1.00 0.00 C ATOM 219 C HIS A 26 -16.511 -7.142 29.964 1.00 0.00 C ATOM 220 O HIS A 26 -15.294 -7.170 29.979 1.00 0.00 O ATOM 221 CB HIS A 26 -16.380 -7.083 27.464 1.00 0.00 C ATOM 222 CG HIS A 26 -17.140 -6.783 26.202 1.00 0.00 C ATOM 223 ND1 HIS A 26 -17.162 -7.657 25.127 1.00 0.00 N ATOM 224 CD2 HIS A 26 -17.910 -5.710 25.827 1.00 0.00 C ATOM 225 CE1 HIS A 26 -17.922 -7.100 24.166 1.00 0.00 C ATOM 226 NE2 HIS A 26 -18.404 -5.913 24.541 1.00 0.00 N ATOM 0 H HIS A 26 -18.724 -5.256 28.616 1.00 0.00 H new ATOM 0 HA HIS A 26 -18.160 -7.472 28.616 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.490 -6.457 27.522 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -16.042 -8.119 27.460 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -16.688 -8.559 25.074 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -18.103 -4.840 26.437 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -18.118 -7.558 23.208 1.00 0.00 H new ATOM 227 N HIS A 27 -17.215 -7.376 31.045 1.00 0.00 N ATOM 228 CA HIS A 27 -16.538 -7.687 32.342 1.00 0.00 C ATOM 229 C HIS A 27 -15.658 -6.505 32.757 1.00 0.00 C ATOM 230 O HIS A 27 -14.612 -6.681 33.354 1.00 0.00 O ATOM 231 CB HIS A 27 -15.669 -8.939 32.183 1.00 0.00 C ATOM 232 CG HIS A 27 -15.601 -9.674 33.493 1.00 0.00 C ATOM 233 ND1 HIS A 27 -14.430 -9.771 34.227 1.00 0.00 N ATOM 234 CD2 HIS A 27 -16.551 -10.357 34.211 1.00 0.00 C ATOM 235 CE1 HIS A 27 -14.702 -10.488 35.333 1.00 0.00 C ATOM 236 NE2 HIS A 27 -15.982 -10.871 35.372 1.00 0.00 N ATOM 0 H HIS A 27 -18.234 -7.365 31.084 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.293 -7.865 33.108 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.085 -9.587 31.412 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.667 -8.660 31.858 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.584 -10.477 33.919 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.975 -10.725 36.096 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -16.442 -11.422 36.097 1.00 0.00 H new ATOM 237 N LYS A 28 -16.074 -5.303 32.446 1.00 0.00 N ATOM 238 CA LYS A 28 -15.268 -4.102 32.820 1.00 0.00 C ATOM 239 C LYS A 28 -16.170 -3.074 33.508 1.00 0.00 C ATOM 240 O LYS A 28 -17.379 -3.119 33.386 1.00 0.00 O ATOM 241 CB LYS A 28 -14.660 -3.485 31.558 1.00 0.00 C ATOM 242 CG LYS A 28 -13.280 -2.908 31.885 1.00 0.00 C ATOM 243 CD LYS A 28 -12.208 -3.964 31.611 1.00 0.00 C ATOM 244 CE LYS A 28 -10.832 -3.297 31.574 1.00 0.00 C ATOM 245 NZ LYS A 28 -10.484 -2.951 30.166 1.00 0.00 N ATOM 0 H LYS A 28 -16.941 -5.102 31.947 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.470 -4.397 33.502 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.574 -4.240 30.776 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.312 -2.701 31.174 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.093 -2.020 31.282 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.242 -2.598 32.929 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.231 -4.731 32.385 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.408 -4.463 30.663 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.835 -2.398 32.190 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.080 -3.967 31.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.548 -2.498 30.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.464 -3.817 29.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.196 -2.297 29.783 1.00 0.00 H new ATOM 246 N VAL A 29 -15.587 -2.146 34.226 1.00 0.00 N ATOM 247 CA VAL A 29 -16.399 -1.108 34.927 1.00 0.00 C ATOM 248 C VAL A 29 -15.686 0.231 34.793 1.00 0.00 C ATOM 249 O VAL A 29 -14.528 0.354 35.135 1.00 0.00 O ATOM 250 CB VAL A 29 -16.535 -1.477 36.406 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.536 -0.537 37.081 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.030 -2.920 36.528 1.00 0.00 C ATOM 0 H VAL A 29 -14.579 -2.064 34.356 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.394 -1.046 34.486 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.564 -1.382 36.893 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.631 -0.802 38.134 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.184 0.491 36.996 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.507 -0.630 36.595 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.127 -3.184 37.581 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.000 -3.015 36.039 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.316 -3.591 36.050 1.00 0.00 H new ATOM 253 N TYR A 30 -16.357 1.232 34.288 1.00 0.00 N ATOM 254 CA TYR A 30 -15.700 2.557 34.117 1.00 0.00 C ATOM 255 C TYR A 30 -16.280 3.578 35.082 1.00 0.00 C ATOM 256 O TYR A 30 -17.321 4.137 34.822 1.00 0.00 O ATOM 257 CB TYR A 30 -15.946 3.087 32.700 1.00 0.00 C ATOM 258 CG TYR A 30 -15.349 2.175 31.657 1.00 0.00 C ATOM 259 CD1 TYR A 30 -14.088 1.597 31.845 1.00 0.00 C ATOM 260 CD2 TYR A 30 -16.065 1.922 30.485 1.00 0.00 C ATOM 261 CE1 TYR A 30 -13.548 0.765 30.859 1.00 0.00 C ATOM 262 CE2 TYR A 30 -15.529 1.091 29.500 1.00 0.00 C ATOM 263 CZ TYR A 30 -14.269 0.511 29.685 1.00 0.00 C ATOM 264 OH TYR A 30 -13.735 -0.310 28.712 1.00 0.00 O ATOM 0 H TYR A 30 -17.331 1.188 33.987 1.00 0.00 H new ATOM 0 HA TYR A 30 -14.635 2.419 34.306 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.018 3.185 32.528 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -15.515 4.083 32.603 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.533 1.793 32.750 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -17.037 2.371 30.340 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.575 0.318 31.003 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -16.086 0.896 28.596 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.572 -1.200 29.088 1.00 0.00 H new ATOM 265 N ASP A 31 -15.594 3.873 36.154 1.00 0.00 N ATOM 266 CA ASP A 31 -16.096 4.923 37.082 1.00 0.00 C ATOM 267 C ASP A 31 -15.662 6.251 36.480 1.00 0.00 C ATOM 268 O ASP A 31 -14.518 6.647 36.609 1.00 0.00 O ATOM 269 CB ASP A 31 -15.490 4.750 38.475 1.00 0.00 C ATOM 270 CG ASP A 31 -16.289 5.574 39.485 1.00 0.00 C ATOM 271 OD1 ASP A 31 -16.684 6.676 39.141 1.00 0.00 O ATOM 272 OD2 ASP A 31 -16.492 5.090 40.586 1.00 0.00 O ATOM 0 H ASP A 31 -14.714 3.435 36.425 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.178 4.865 37.197 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.500 3.698 38.759 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.448 5.070 38.472 1.00 0.00 H new ATOM 273 N LEU A 32 -16.541 6.910 35.766 1.00 0.00 N ATOM 274 CA LEU A 32 -16.134 8.181 35.090 1.00 0.00 C ATOM 275 C LEU A 32 -17.011 9.345 35.566 1.00 0.00 C ATOM 276 O LEU A 32 -17.769 9.919 34.807 1.00 0.00 O ATOM 277 CB LEU A 32 -16.241 8.043 33.549 1.00 0.00 C ATOM 278 CG LEU A 32 -16.238 6.566 33.093 1.00 0.00 C ATOM 279 CD1 LEU A 32 -17.684 6.100 32.920 1.00 0.00 C ATOM 280 CD2 LEU A 32 -15.494 6.431 31.752 1.00 0.00 C ATOM 0 H LEU A 32 -17.511 6.628 35.623 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.096 8.385 35.353 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.156 8.526 33.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.409 8.568 33.080 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.734 5.955 33.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.695 5.059 32.598 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.212 6.192 33.869 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.178 6.717 32.169 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.497 5.387 31.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.992 7.038 30.997 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.465 6.772 31.871 1.00 0.00 H new ATOM 281 N THR A 33 -16.890 9.710 36.815 1.00 0.00 N ATOM 282 CA THR A 33 -17.696 10.849 37.345 1.00 0.00 C ATOM 283 C THR A 33 -17.239 12.162 36.686 1.00 0.00 C ATOM 284 O THR A 33 -17.914 13.170 36.778 1.00 0.00 O ATOM 285 CB THR A 33 -17.502 10.948 38.859 1.00 0.00 C ATOM 286 OG1 THR A 33 -16.123 11.127 39.148 1.00 0.00 O ATOM 287 CG2 THR A 33 -18.001 9.665 39.525 1.00 0.00 C ATOM 0 H THR A 33 -16.267 9.268 37.492 1.00 0.00 H new ATOM 0 HA THR A 33 -18.749 10.680 37.120 1.00 0.00 H new ATOM 0 HB THR A 33 -18.068 11.797 39.242 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.998 11.192 40.118 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.862 9.737 40.604 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.060 9.528 39.304 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.438 8.814 39.143 1.00 0.00 H new ATOM 288 N LYS A 34 -16.099 12.162 36.027 1.00 0.00 N ATOM 289 CA LYS A 34 -15.608 13.412 35.372 1.00 0.00 C ATOM 290 C LYS A 34 -15.687 13.284 33.844 1.00 0.00 C ATOM 291 O LYS A 34 -15.641 14.272 33.137 1.00 0.00 O ATOM 292 CB LYS A 34 -14.155 13.660 35.784 1.00 0.00 C ATOM 293 CG LYS A 34 -13.316 12.421 35.465 1.00 0.00 C ATOM 294 CD LYS A 34 -11.829 12.776 35.543 1.00 0.00 C ATOM 295 CE LYS A 34 -11.041 11.565 36.043 1.00 0.00 C ATOM 296 NZ LYS A 34 -9.598 11.741 35.713 1.00 0.00 N ATOM 0 H LYS A 34 -15.492 11.350 35.917 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.234 14.246 35.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.759 14.527 35.255 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.101 13.885 36.849 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.547 11.621 36.169 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.560 12.050 34.470 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.465 13.080 34.562 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.681 13.622 36.214 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.168 11.454 37.120 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.422 10.654 35.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.221 10.854 35.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.493 12.501 35.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.073 11.991 36.575 1.00 0.00 H new ATOM 297 N PHE A 35 -15.804 12.082 33.328 1.00 0.00 N ATOM 298 CA PHE A 35 -15.885 11.906 31.844 1.00 0.00 C ATOM 299 C PHE A 35 -17.197 12.506 31.326 1.00 0.00 C ATOM 300 O PHE A 35 -17.296 12.886 30.175 1.00 0.00 O ATOM 301 CB PHE A 35 -15.825 10.414 31.510 1.00 0.00 C ATOM 302 CG PHE A 35 -15.857 10.206 30.014 1.00 0.00 C ATOM 303 CD1 PHE A 35 -14.707 10.429 29.249 1.00 0.00 C ATOM 304 CD2 PHE A 35 -17.039 9.782 29.394 1.00 0.00 C ATOM 305 CE1 PHE A 35 -14.739 10.228 27.864 1.00 0.00 C ATOM 306 CE2 PHE A 35 -17.071 9.582 28.010 1.00 0.00 C ATOM 307 CZ PHE A 35 -15.920 9.803 27.245 1.00 0.00 C ATOM 0 H PHE A 35 -15.847 11.219 33.870 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.049 12.417 31.367 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -14.916 9.979 31.924 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.666 9.897 31.973 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.795 10.756 29.727 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -17.926 9.609 29.985 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.852 10.401 27.273 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -17.983 9.257 27.532 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.943 9.646 26.177 1.00 0.00 H new ATOM 308 N LEU A 36 -18.205 12.597 32.166 1.00 0.00 N ATOM 309 CA LEU A 36 -19.510 13.180 31.711 1.00 0.00 C ATOM 310 C LEU A 36 -19.294 14.604 31.171 1.00 0.00 C ATOM 311 O LEU A 36 -20.108 15.118 30.428 1.00 0.00 O ATOM 312 CB LEU A 36 -20.558 13.211 32.850 1.00 0.00 C ATOM 313 CG LEU A 36 -19.927 13.453 34.235 1.00 0.00 C ATOM 314 CD1 LEU A 36 -19.078 14.727 34.229 1.00 0.00 C ATOM 315 CD2 LEU A 36 -21.044 13.607 35.269 1.00 0.00 C ATOM 0 H LEU A 36 -18.180 12.295 33.140 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.894 12.538 30.918 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -21.287 13.995 32.646 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -21.102 12.266 32.863 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.288 12.605 34.483 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.642 14.878 35.217 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.281 14.630 33.492 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -19.705 15.581 33.974 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -20.608 13.779 36.253 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -21.675 14.454 34.999 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -21.646 12.699 35.292 1.00 0.00 H new ATOM 316 N GLU A 37 -18.203 15.240 31.532 1.00 0.00 N ATOM 317 CA GLU A 37 -17.933 16.619 31.035 1.00 0.00 C ATOM 318 C GLU A 37 -16.440 16.772 30.708 1.00 0.00 C ATOM 319 O GLU A 37 -15.923 17.872 30.659 1.00 0.00 O ATOM 320 CB GLU A 37 -18.324 17.634 32.111 1.00 0.00 C ATOM 321 CG GLU A 37 -19.830 17.894 32.044 1.00 0.00 C ATOM 322 CD GLU A 37 -20.236 18.843 33.174 1.00 0.00 C ATOM 323 OE1 GLU A 37 -19.677 19.926 33.239 1.00 0.00 O ATOM 324 OE2 GLU A 37 -21.097 18.471 33.953 1.00 0.00 O ATOM 0 H GLU A 37 -17.489 14.858 32.152 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.519 16.797 30.133 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.053 17.257 33.097 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.777 18.565 31.964 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.092 18.328 31.079 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.376 16.955 32.130 1.00 0.00 H new ATOM 325 N GLU A 38 -15.746 15.680 30.479 1.00 0.00 N ATOM 326 CA GLU A 38 -14.291 15.768 30.148 1.00 0.00 C ATOM 327 C GLU A 38 -14.124 15.866 28.629 1.00 0.00 C ATOM 328 O GLU A 38 -13.182 16.458 28.137 1.00 0.00 O ATOM 329 CB GLU A 38 -13.562 14.523 30.670 1.00 0.00 C ATOM 330 CG GLU A 38 -12.141 14.904 31.094 1.00 0.00 C ATOM 331 CD GLU A 38 -11.337 15.343 29.869 1.00 0.00 C ATOM 332 OE1 GLU A 38 -10.857 14.476 29.158 1.00 0.00 O ATOM 333 OE2 GLU A 38 -11.216 16.540 29.663 1.00 0.00 O ATOM 0 H GLU A 38 -16.126 14.734 30.508 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.864 16.653 30.620 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.104 14.099 31.515 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.529 13.757 29.896 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.174 15.710 31.827 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.655 14.055 31.575 1.00 0.00 H new ATOM 334 N HIS A 39 -15.037 15.293 27.884 1.00 0.00 N ATOM 335 CA HIS A 39 -14.946 15.353 26.396 1.00 0.00 C ATOM 336 C HIS A 39 -16.272 15.891 25.826 1.00 0.00 C ATOM 337 O HIS A 39 -17.072 15.129 25.316 1.00 0.00 O ATOM 338 CB HIS A 39 -14.676 13.950 25.844 1.00 0.00 C ATOM 339 CG HIS A 39 -13.276 13.531 26.194 1.00 0.00 C ATOM 340 ND1 HIS A 39 -12.988 12.784 27.326 1.00 0.00 N ATOM 341 CD2 HIS A 39 -12.072 13.745 25.571 1.00 0.00 C ATOM 342 CE1 HIS A 39 -11.659 12.577 27.348 1.00 0.00 C ATOM 343 NE2 HIS A 39 -11.052 13.142 26.301 1.00 0.00 N ATOM 0 H HIS A 39 -15.844 14.785 28.246 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.131 16.016 26.104 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -15.393 13.241 26.258 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.809 13.942 24.762 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -13.661 12.452 28.016 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.937 14.298 24.653 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.145 12.021 28.119 1.00 0.00 H new ATOM 344 N PRO A 40 -16.478 17.190 25.928 1.00 0.00 N ATOM 345 CA PRO A 40 -17.717 17.863 25.429 1.00 0.00 C ATOM 346 C PRO A 40 -17.597 18.172 23.933 1.00 0.00 C ATOM 347 O PRO A 40 -16.957 19.129 23.538 1.00 0.00 O ATOM 348 CB PRO A 40 -17.773 19.149 26.243 1.00 0.00 C ATOM 349 CG PRO A 40 -16.353 19.460 26.693 1.00 0.00 C ATOM 350 CD PRO A 40 -15.526 18.177 26.550 1.00 0.00 C ATOM 0 HA PRO A 40 -18.611 17.250 25.540 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.174 19.966 25.644 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -18.432 19.031 27.103 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.926 20.259 26.087 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.347 19.806 27.727 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.650 18.336 25.921 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.165 17.826 27.517 1.00 0.00 H new ATOM 351 N GLY A 41 -18.206 17.365 23.102 1.00 0.00 N ATOM 352 CA GLY A 41 -18.135 17.604 21.630 1.00 0.00 C ATOM 353 C GLY A 41 -18.109 16.264 20.892 1.00 0.00 C ATOM 354 O GLY A 41 -18.573 16.155 19.773 1.00 0.00 O ATOM 0 H GLY A 41 -18.751 16.549 23.381 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.993 18.193 21.305 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.243 18.181 21.388 1.00 0.00 H new ATOM 355 N GLY A 42 -17.568 15.245 21.511 1.00 0.00 N ATOM 356 CA GLY A 42 -17.505 13.908 20.852 1.00 0.00 C ATOM 357 C GLY A 42 -18.919 13.345 20.695 1.00 0.00 C ATOM 358 O GLY A 42 -19.898 14.019 20.954 1.00 0.00 O ATOM 0 H GLY A 42 -17.166 15.283 22.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -17.027 13.995 19.876 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.896 13.227 21.446 1.00 0.00 H new ATOM 359 N GLU A 43 -19.028 12.111 20.271 1.00 0.00 N ATOM 360 CA GLU A 43 -20.372 11.487 20.092 1.00 0.00 C ATOM 361 C GLU A 43 -21.085 11.414 21.449 1.00 0.00 C ATOM 362 O GLU A 43 -20.768 12.156 22.360 1.00 0.00 O ATOM 363 CB GLU A 43 -20.194 10.079 19.513 1.00 0.00 C ATOM 364 CG GLU A 43 -21.333 9.778 18.536 1.00 0.00 C ATOM 365 CD GLU A 43 -20.949 10.267 17.138 1.00 0.00 C ATOM 366 OE1 GLU A 43 -21.179 11.432 16.855 1.00 0.00 O ATOM 367 OE2 GLU A 43 -20.429 9.471 16.374 1.00 0.00 O ATOM 0 H GLU A 43 -18.239 11.507 20.040 1.00 0.00 H new ATOM 0 HA GLU A 43 -20.974 12.085 19.408 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -19.234 10.003 19.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -20.186 9.343 20.317 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -21.535 8.707 18.515 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -22.249 10.269 18.866 1.00 0.00 H new ATOM 368 N GLU A 44 -22.044 10.528 21.591 1.00 0.00 N ATOM 369 CA GLU A 44 -22.776 10.407 22.886 1.00 0.00 C ATOM 370 C GLU A 44 -22.058 9.385 23.777 1.00 0.00 C ATOM 371 O GLU A 44 -22.648 8.437 24.261 1.00 0.00 O ATOM 372 CB GLU A 44 -24.214 9.944 22.622 1.00 0.00 C ATOM 373 CG GLU A 44 -24.201 8.638 21.819 1.00 0.00 C ATOM 374 CD GLU A 44 -24.506 8.932 20.348 1.00 0.00 C ATOM 375 OE1 GLU A 44 -25.342 9.785 20.095 1.00 0.00 O ATOM 376 OE2 GLU A 44 -23.901 8.298 19.499 1.00 0.00 O ATOM 0 H GLU A 44 -22.349 9.884 20.862 1.00 0.00 H new ATOM 0 HA GLU A 44 -22.799 11.375 23.387 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -24.737 9.795 23.567 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -24.758 10.713 22.074 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -23.228 8.155 21.909 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -24.940 7.945 22.222 1.00 0.00 H new ATOM 377 N VAL A 45 -20.781 9.579 23.992 1.00 0.00 N ATOM 378 CA VAL A 45 -19.998 8.633 24.846 1.00 0.00 C ATOM 379 C VAL A 45 -20.604 8.569 26.250 1.00 0.00 C ATOM 380 O VAL A 45 -21.346 9.442 26.660 1.00 0.00 O ATOM 381 CB VAL A 45 -18.544 9.112 24.938 1.00 0.00 C ATOM 382 CG1 VAL A 45 -17.864 8.937 23.579 1.00 0.00 C ATOM 383 CG2 VAL A 45 -18.513 10.591 25.335 1.00 0.00 C ATOM 0 H VAL A 45 -20.243 10.357 23.610 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.030 7.639 24.399 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.017 8.524 25.690 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.830 9.277 23.643 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.883 7.885 23.296 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.394 9.524 22.829 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -17.479 10.929 25.400 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -19.041 11.180 24.585 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -18.997 10.718 26.303 1.00 0.00 H new ATOM 384 N LEU A 46 -20.300 7.527 26.984 1.00 0.00 N ATOM 385 CA LEU A 46 -20.851 7.365 28.364 1.00 0.00 C ATOM 386 C LEU A 46 -22.376 7.500 28.342 1.00 0.00 C ATOM 387 O LEU A 46 -22.960 8.360 28.972 1.00 0.00 O ATOM 388 CB LEU A 46 -20.235 8.409 29.302 1.00 0.00 C ATOM 389 CG LEU A 46 -19.499 7.708 30.452 1.00 0.00 C ATOM 390 CD1 LEU A 46 -20.465 6.835 31.260 1.00 0.00 C ATOM 391 CD2 LEU A 46 -18.356 6.845 29.897 1.00 0.00 C ATOM 0 H LEU A 46 -19.685 6.772 26.681 1.00 0.00 H new ATOM 0 HA LEU A 46 -20.596 6.371 28.733 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -19.543 9.044 28.749 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -21.015 9.058 29.700 1.00 0.00 H new ATOM 0 HG LEU A 46 -19.085 8.471 31.112 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -19.923 6.347 32.070 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -21.257 7.458 31.676 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -20.903 6.078 30.609 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -17.840 6.352 30.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -18.763 6.093 29.221 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.653 7.477 29.355 1.00 0.00 H new ATOM 392 N ARG A 47 -23.007 6.636 27.611 1.00 0.00 N ATOM 393 CA ARG A 47 -24.499 6.659 27.505 1.00 0.00 C ATOM 394 C ARG A 47 -24.966 5.540 26.568 1.00 0.00 C ATOM 395 O ARG A 47 -25.936 5.692 25.848 1.00 0.00 O ATOM 396 CB ARG A 47 -24.957 8.011 26.944 1.00 0.00 C ATOM 397 CG ARG A 47 -26.286 8.407 27.591 1.00 0.00 C ATOM 398 CD ARG A 47 -26.039 8.862 29.031 1.00 0.00 C ATOM 399 NE ARG A 47 -27.229 9.604 29.529 1.00 0.00 N ATOM 400 CZ ARG A 47 -27.687 9.373 30.729 1.00 0.00 C ATOM 401 NH1 ARG A 47 -26.876 9.399 31.752 1.00 0.00 N ATOM 402 NH2 ARG A 47 -28.954 9.117 30.907 1.00 0.00 N ATOM 0 H ARG A 47 -22.553 5.900 27.071 1.00 0.00 H new ATOM 0 HA ARG A 47 -24.929 6.511 28.495 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.203 8.773 27.141 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.071 7.948 25.862 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -26.755 9.209 27.021 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -26.974 7.562 27.579 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -25.843 7.999 29.668 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -25.155 9.499 29.076 1.00 0.00 H new ATOM 0 HE ARG A 47 -27.687 10.293 28.932 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -25.886 9.600 31.613 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -27.233 9.219 32.690 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -29.587 9.097 30.108 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -29.311 8.937 31.845 1.00 0.00 H new ATOM 403 N GLU A 48 -24.287 4.421 26.571 1.00 0.00 N ATOM 404 CA GLU A 48 -24.691 3.292 25.682 1.00 0.00 C ATOM 405 C GLU A 48 -25.652 2.367 26.438 1.00 0.00 C ATOM 406 O GLU A 48 -25.323 1.241 26.762 1.00 0.00 O ATOM 407 CB GLU A 48 -23.444 2.510 25.256 1.00 0.00 C ATOM 408 CG GLU A 48 -23.645 1.961 23.841 1.00 0.00 C ATOM 409 CD GLU A 48 -22.382 1.222 23.397 1.00 0.00 C ATOM 410 OE1 GLU A 48 -21.436 1.888 23.010 1.00 0.00 O ATOM 411 OE2 GLU A 48 -22.381 0.004 23.454 1.00 0.00 O ATOM 0 H GLU A 48 -23.469 4.241 27.152 1.00 0.00 H new ATOM 0 HA GLU A 48 -25.191 3.683 24.796 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -22.568 3.158 25.285 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -23.259 1.692 25.952 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -24.501 1.286 23.819 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -23.864 2.776 23.151 1.00 0.00 H new ATOM 412 N GLN A 49 -26.840 2.841 26.718 1.00 0.00 N ATOM 413 CA GLN A 49 -27.832 2.003 27.453 1.00 0.00 C ATOM 414 C GLN A 49 -29.249 2.445 27.077 1.00 0.00 C ATOM 415 O GLN A 49 -29.837 3.287 27.728 1.00 0.00 O ATOM 416 CB GLN A 49 -27.627 2.172 28.961 1.00 0.00 C ATOM 417 CG GLN A 49 -26.733 1.045 29.487 1.00 0.00 C ATOM 418 CD GLN A 49 -25.282 1.525 29.542 1.00 0.00 C ATOM 419 OE1 GLN A 49 -24.392 0.864 29.040 1.00 0.00 O ATOM 420 NE2 GLN A 49 -25.002 2.654 30.133 1.00 0.00 N ATOM 0 H GLN A 49 -27.165 3.775 26.468 1.00 0.00 H new ATOM 0 HA GLN A 49 -27.694 0.956 27.184 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -27.171 3.140 29.170 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -28.589 2.156 29.473 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -27.063 0.738 30.480 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -26.813 0.171 28.840 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -25.748 3.208 30.554 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -24.037 2.983 30.174 1.00 0.00 H new ATOM 421 N ALA A 50 -29.796 1.880 26.032 1.00 0.00 N ATOM 422 CA ALA A 50 -31.175 2.260 25.605 1.00 0.00 C ATOM 423 C ALA A 50 -31.601 1.391 24.419 1.00 0.00 C ATOM 424 O ALA A 50 -32.424 0.506 24.554 1.00 0.00 O ATOM 425 CB ALA A 50 -31.193 3.733 25.190 1.00 0.00 C ATOM 0 H ALA A 50 -29.346 1.170 25.455 1.00 0.00 H new ATOM 0 HA ALA A 50 -31.866 2.107 26.434 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -32.200 4.011 24.878 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -30.891 4.353 26.034 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -30.501 3.886 24.362 1.00 0.00 H new ATOM 426 N GLY A 51 -31.043 1.639 23.261 1.00 0.00 N ATOM 427 CA GLY A 51 -31.408 0.831 22.060 1.00 0.00 C ATOM 428 C GLY A 51 -30.718 -0.531 22.131 1.00 0.00 C ATOM 429 O GLY A 51 -31.241 -1.526 21.665 1.00 0.00 O ATOM 0 H GLY A 51 -30.349 2.368 23.096 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -32.489 0.700 22.012 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -31.109 1.355 21.152 1.00 0.00 H new ATOM 430 N GLY A 52 -29.545 -0.580 22.709 1.00 0.00 N ATOM 431 CA GLY A 52 -28.809 -1.876 22.815 1.00 0.00 C ATOM 432 C GLY A 52 -27.314 -1.633 22.604 1.00 0.00 C ATOM 433 O GLY A 52 -26.771 -0.637 23.044 1.00 0.00 O ATOM 0 H GLY A 52 -29.064 0.224 23.113 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -28.981 -2.325 23.793 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -29.182 -2.580 22.071 1.00 0.00 H new ATOM 434 N ASP A 53 -26.647 -2.537 21.930 1.00 0.00 N ATOM 435 CA ASP A 53 -25.180 -2.373 21.680 1.00 0.00 C ATOM 436 C ASP A 53 -24.433 -2.314 23.015 1.00 0.00 C ATOM 437 O ASP A 53 -24.475 -1.321 23.716 1.00 0.00 O ATOM 438 CB ASP A 53 -24.931 -1.080 20.897 1.00 0.00 C ATOM 439 CG ASP A 53 -25.804 -1.065 19.642 1.00 0.00 C ATOM 440 OD1 ASP A 53 -26.963 -0.697 19.753 1.00 0.00 O ATOM 441 OD2 ASP A 53 -25.301 -1.422 18.590 1.00 0.00 O ATOM 0 H ASP A 53 -27.057 -3.386 21.540 1.00 0.00 H new ATOM 0 HA ASP A 53 -24.818 -3.222 21.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -25.158 -0.216 21.521 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -23.879 -1.006 20.621 1.00 0.00 H new ATOM 442 N ALA A 54 -23.746 -3.372 23.365 1.00 0.00 N ATOM 443 CA ALA A 54 -22.990 -3.389 24.652 1.00 0.00 C ATOM 444 C ALA A 54 -21.792 -2.443 24.552 1.00 0.00 C ATOM 445 O ALA A 54 -21.393 -1.828 25.525 1.00 0.00 O ATOM 446 CB ALA A 54 -22.495 -4.809 24.935 1.00 0.00 C ATOM 0 H ALA A 54 -23.677 -4.227 22.813 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.644 -3.064 25.461 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -21.943 -4.821 25.875 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -23.348 -5.484 25.006 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -21.841 -5.134 24.126 1.00 0.00 H new ATOM 447 N THR A 55 -21.218 -2.320 23.382 1.00 0.00 N ATOM 448 CA THR A 55 -20.044 -1.415 23.207 1.00 0.00 C ATOM 449 C THR A 55 -19.868 -1.086 21.722 1.00 0.00 C ATOM 450 O THR A 55 -18.765 -1.053 21.210 1.00 0.00 O ATOM 451 CB THR A 55 -18.783 -2.107 23.734 1.00 0.00 C ATOM 452 OG1 THR A 55 -17.647 -1.306 23.438 1.00 0.00 O ATOM 453 CG2 THR A 55 -18.633 -3.475 23.067 1.00 0.00 C ATOM 0 H THR A 55 -21.514 -2.810 22.538 1.00 0.00 H new ATOM 0 HA THR A 55 -20.210 -0.493 23.763 1.00 0.00 H new ATOM 0 HB THR A 55 -18.864 -2.239 24.813 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.504 -1.286 22.469 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.736 -3.966 23.443 1.00 0.00 H new ATOM 0 HG22 THR A 55 -19.505 -4.088 23.295 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.552 -3.347 21.988 1.00 0.00 H new ATOM 454 N GLU A 56 -20.951 -0.841 21.028 1.00 0.00 N ATOM 455 CA GLU A 56 -20.858 -0.512 19.576 1.00 0.00 C ATOM 456 C GLU A 56 -20.783 1.006 19.401 1.00 0.00 C ATOM 457 O GLU A 56 -20.100 1.505 18.526 1.00 0.00 O ATOM 458 CB GLU A 56 -22.094 -1.048 18.850 1.00 0.00 C ATOM 459 CG GLU A 56 -21.756 -1.292 17.378 1.00 0.00 C ATOM 460 CD GLU A 56 -23.012 -1.101 16.527 1.00 0.00 C ATOM 461 OE1 GLU A 56 -23.345 0.039 16.245 1.00 0.00 O ATOM 462 OE2 GLU A 56 -23.622 -2.096 16.171 1.00 0.00 O ATOM 0 H GLU A 56 -21.898 -0.855 21.407 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.963 -0.971 19.157 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.429 -1.975 19.316 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.915 -0.335 18.932 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.976 -0.603 17.054 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -21.365 -2.301 17.246 1.00 0.00 H new ATOM 463 N ASN A 57 -21.481 1.742 20.229 1.00 0.00 N ATOM 464 CA ASN A 57 -21.458 3.230 20.118 1.00 0.00 C ATOM 465 C ASN A 57 -20.529 3.811 21.188 1.00 0.00 C ATOM 466 O ASN A 57 -20.731 4.912 21.664 1.00 0.00 O ATOM 467 CB ASN A 57 -22.873 3.779 20.320 1.00 0.00 C ATOM 468 CG ASN A 57 -23.566 3.917 18.964 1.00 0.00 C ATOM 469 OD1 ASN A 57 -24.347 3.070 18.578 1.00 0.00 O ATOM 470 ND2 ASN A 57 -23.309 4.956 18.217 1.00 0.00 N ATOM 0 H ASN A 57 -22.067 1.374 20.979 1.00 0.00 H new ATOM 0 HA ASN A 57 -21.095 3.513 19.130 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -23.444 3.112 20.966 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -22.831 4.747 20.819 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -23.764 5.057 17.310 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -22.653 5.667 18.541 1.00 0.00 H new ATOM 471 N PHE A 58 -19.513 3.078 21.566 1.00 0.00 N ATOM 472 CA PHE A 58 -18.564 3.581 22.604 1.00 0.00 C ATOM 473 C PHE A 58 -17.133 3.182 22.226 1.00 0.00 C ATOM 474 O PHE A 58 -16.287 2.999 23.079 1.00 0.00 O ATOM 475 CB PHE A 58 -18.923 2.972 23.961 1.00 0.00 C ATOM 476 CG PHE A 58 -18.095 3.624 25.044 1.00 0.00 C ATOM 477 CD1 PHE A 58 -18.319 4.963 25.386 1.00 0.00 C ATOM 478 CD2 PHE A 58 -17.106 2.888 25.705 1.00 0.00 C ATOM 479 CE1 PHE A 58 -17.549 5.567 26.389 1.00 0.00 C ATOM 480 CE2 PHE A 58 -16.337 3.491 26.707 1.00 0.00 C ATOM 481 CZ PHE A 58 -16.559 4.831 27.050 1.00 0.00 C ATOM 0 H PHE A 58 -19.299 2.150 21.199 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.633 4.667 22.664 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -19.984 3.114 24.165 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -18.742 1.897 23.948 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.085 5.530 24.877 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.936 1.854 25.442 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -17.720 6.601 26.652 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -15.572 2.923 27.216 1.00 0.00 H new ATOM 0 HZ PHE A 58 -15.966 5.296 27.824 1.00 0.00 H new ATOM 482 N GLU A 59 -16.861 3.050 20.950 1.00 0.00 N ATOM 483 CA GLU A 59 -15.487 2.665 20.507 1.00 0.00 C ATOM 484 C GLU A 59 -15.442 2.616 18.977 1.00 0.00 C ATOM 485 O GLU A 59 -14.803 1.762 18.393 1.00 0.00 O ATOM 486 CB GLU A 59 -15.132 1.286 21.071 1.00 0.00 C ATOM 487 CG GLU A 59 -16.226 0.285 20.700 1.00 0.00 C ATOM 488 CD GLU A 59 -15.602 -1.092 20.468 1.00 0.00 C ATOM 489 OE1 GLU A 59 -14.767 -1.485 21.267 1.00 0.00 O ATOM 490 OE2 GLU A 59 -15.968 -1.731 19.495 1.00 0.00 O ATOM 0 H GLU A 59 -17.533 3.193 20.196 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.769 3.400 20.871 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.172 0.955 20.674 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.027 1.341 22.155 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.968 0.230 21.496 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.747 0.616 19.801 1.00 0.00 H new ATOM 491 N ASP A 60 -16.119 3.530 18.328 1.00 0.00 N ATOM 492 CA ASP A 60 -16.123 3.546 16.836 1.00 0.00 C ATOM 493 C ASP A 60 -15.524 4.862 16.336 1.00 0.00 C ATOM 494 O ASP A 60 -14.591 4.871 15.554 1.00 0.00 O ATOM 495 CB ASP A 60 -17.561 3.416 16.329 1.00 0.00 C ATOM 496 CG ASP A 60 -17.553 3.231 14.810 1.00 0.00 C ATOM 497 OD1 ASP A 60 -16.725 2.475 14.329 1.00 0.00 O ATOM 498 OD2 ASP A 60 -18.375 3.849 14.155 1.00 0.00 O ATOM 0 H ASP A 60 -16.670 4.266 18.769 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.528 2.712 16.463 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.051 2.567 16.807 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.133 4.305 16.595 1.00 0.00 H new ATOM 499 N VAL A 61 -16.055 5.972 16.782 1.00 0.00 N ATOM 500 CA VAL A 61 -15.523 7.295 16.339 1.00 0.00 C ATOM 501 C VAL A 61 -14.056 7.442 16.765 1.00 0.00 C ATOM 502 O VAL A 61 -13.312 8.217 16.193 1.00 0.00 O ATOM 503 CB VAL A 61 -16.376 8.417 16.951 1.00 0.00 C ATOM 504 CG1 VAL A 61 -16.328 8.340 18.481 1.00 0.00 C ATOM 505 CG2 VAL A 61 -15.851 9.783 16.490 1.00 0.00 C ATOM 0 H VAL A 61 -16.836 6.018 17.436 1.00 0.00 H new ATOM 0 HA VAL A 61 -15.573 7.362 15.252 1.00 0.00 H new ATOM 0 HB VAL A 61 -17.407 8.295 16.619 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.936 9.140 18.905 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -16.717 7.376 18.809 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -15.297 8.450 18.819 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.460 10.574 16.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -14.816 9.902 16.811 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -15.903 9.845 15.403 1.00 0.00 H new ATOM 506 N GLY A 62 -13.641 6.705 17.759 1.00 0.00 N ATOM 507 CA GLY A 62 -12.225 6.795 18.229 1.00 0.00 C ATOM 508 C GLY A 62 -11.944 8.208 18.746 1.00 0.00 C ATOM 509 O GLY A 62 -11.755 9.132 17.977 1.00 0.00 O ATOM 0 H GLY A 62 -14.223 6.041 18.269 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.047 6.066 19.019 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.544 6.554 17.413 1.00 0.00 H new ATOM 510 N HIS A 63 -11.916 8.380 20.044 1.00 0.00 N ATOM 511 CA HIS A 63 -11.647 9.729 20.621 1.00 0.00 C ATOM 512 C HIS A 63 -10.582 9.615 21.714 1.00 0.00 C ATOM 513 O HIS A 63 -10.890 9.592 22.892 1.00 0.00 O ATOM 514 CB HIS A 63 -12.938 10.301 21.215 1.00 0.00 C ATOM 515 CG HIS A 63 -13.527 9.318 22.189 1.00 0.00 C ATOM 516 ND1 HIS A 63 -14.062 8.105 21.785 1.00 0.00 N ATOM 517 CD2 HIS A 63 -13.674 9.356 23.554 1.00 0.00 C ATOM 518 CE1 HIS A 63 -14.501 7.468 22.885 1.00 0.00 C ATOM 519 NE2 HIS A 63 -14.289 8.186 23.991 1.00 0.00 N ATOM 0 H HIS A 63 -12.069 7.640 20.730 1.00 0.00 H new ATOM 0 HA HIS A 63 -11.288 10.394 19.836 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.731 11.246 21.717 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -13.653 10.513 20.420 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.360 10.170 24.191 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -14.968 6.494 22.875 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -14.527 7.932 24.950 1.00 0.00 H new ATOM 520 N SER A 64 -9.334 9.543 21.331 1.00 0.00 N ATOM 521 CA SER A 64 -8.238 9.430 22.338 1.00 0.00 C ATOM 522 C SER A 64 -6.887 9.447 21.622 1.00 0.00 C ATOM 523 O SER A 64 -6.033 10.266 21.910 1.00 0.00 O ATOM 524 CB SER A 64 -8.390 8.118 23.110 1.00 0.00 C ATOM 525 OG SER A 64 -8.714 7.074 22.202 1.00 0.00 O ATOM 0 H SER A 64 -9.026 9.558 20.359 1.00 0.00 H new ATOM 0 HA SER A 64 -8.292 10.268 23.032 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.465 7.883 23.637 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.171 8.215 23.864 1.00 0.00 H new ATOM 0 HG SER A 64 -8.811 6.232 22.693 1.00 0.00 H new ATOM 526 N THR A 65 -6.689 8.549 20.691 1.00 0.00 N ATOM 527 CA THR A 65 -5.396 8.506 19.947 1.00 0.00 C ATOM 528 C THR A 65 -5.644 7.989 18.527 1.00 0.00 C ATOM 529 O THR A 65 -5.642 8.746 17.575 1.00 0.00 O ATOM 530 CB THR A 65 -4.421 7.572 20.671 1.00 0.00 C ATOM 531 OG1 THR A 65 -5.150 6.540 21.319 1.00 0.00 O ATOM 532 CG2 THR A 65 -3.626 8.367 21.707 1.00 0.00 C ATOM 0 H THR A 65 -7.370 7.842 20.414 1.00 0.00 H new ATOM 0 HA THR A 65 -4.969 9.508 19.899 1.00 0.00 H new ATOM 0 HB THR A 65 -3.733 7.132 19.949 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.528 5.941 21.781 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.932 7.702 22.222 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.067 9.158 21.208 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.311 8.808 22.431 1.00 0.00 H new ATOM 533 N ASP A 66 -5.861 6.706 18.382 1.00 0.00 N ATOM 534 CA ASP A 66 -6.114 6.130 17.026 1.00 0.00 C ATOM 535 C ASP A 66 -6.401 4.630 17.159 1.00 0.00 C ATOM 536 O ASP A 66 -7.539 4.203 17.108 1.00 0.00 O ATOM 537 CB ASP A 66 -4.881 6.349 16.138 1.00 0.00 C ATOM 538 CG ASP A 66 -5.135 7.515 15.179 1.00 0.00 C ATOM 539 OD1 ASP A 66 -6.199 7.544 14.583 1.00 0.00 O ATOM 540 OD2 ASP A 66 -4.261 8.356 15.057 1.00 0.00 O ATOM 0 H ASP A 66 -5.874 6.031 19.146 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.973 6.623 16.571 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.008 6.558 16.757 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.662 5.443 15.574 1.00 0.00 H new ATOM 541 N ALA A 67 -5.376 3.830 17.329 1.00 0.00 N ATOM 542 CA ALA A 67 -5.582 2.359 17.465 1.00 0.00 C ATOM 543 C ALA A 67 -5.764 2.002 18.945 1.00 0.00 C ATOM 544 O ALA A 67 -5.104 1.122 19.468 1.00 0.00 O ATOM 545 CB ALA A 67 -4.364 1.622 16.898 1.00 0.00 C ATOM 0 H ALA A 67 -4.404 4.136 17.379 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.473 2.061 16.913 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.511 0.546 16.996 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.242 1.877 15.845 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.471 1.917 17.449 1.00 0.00 H new ATOM 546 N ARG A 68 -6.656 2.681 19.623 1.00 0.00 N ATOM 547 CA ARG A 68 -6.886 2.387 21.067 1.00 0.00 C ATOM 548 C ARG A 68 -8.189 3.047 21.524 1.00 0.00 C ATOM 549 O ARG A 68 -8.753 3.873 20.830 1.00 0.00 O ATOM 550 CB ARG A 68 -5.721 2.940 21.893 1.00 0.00 C ATOM 551 CG ARG A 68 -4.677 1.841 22.100 1.00 0.00 C ATOM 552 CD ARG A 68 -4.017 2.016 23.469 1.00 0.00 C ATOM 553 NE ARG A 68 -3.003 3.107 23.396 1.00 0.00 N ATOM 554 CZ ARG A 68 -1.986 3.109 24.213 1.00 0.00 C ATOM 555 NH1 ARG A 68 -2.182 3.011 25.499 1.00 0.00 N ATOM 556 NH2 ARG A 68 -0.772 3.207 23.743 1.00 0.00 N ATOM 0 H ARG A 68 -7.234 3.427 19.236 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.955 1.309 21.209 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.272 3.792 21.383 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.082 3.299 22.856 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.148 0.860 22.034 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.924 1.887 21.313 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.770 2.255 24.220 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.543 1.084 23.778 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.105 3.852 22.707 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.131 2.933 25.866 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.387 3.013 26.138 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.619 3.282 22.737 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.023 3.209 24.381 1.00 0.00 H new ATOM 557 N GLU A 69 -8.668 2.687 22.687 1.00 0.00 N ATOM 558 CA GLU A 69 -9.934 3.285 23.202 1.00 0.00 C ATOM 559 C GLU A 69 -9.630 4.113 24.453 1.00 0.00 C ATOM 560 O GLU A 69 -8.698 3.831 25.181 1.00 0.00 O ATOM 561 CB GLU A 69 -10.918 2.167 23.555 1.00 0.00 C ATOM 562 CG GLU A 69 -12.318 2.757 23.751 1.00 0.00 C ATOM 563 CD GLU A 69 -12.828 3.315 22.423 1.00 0.00 C ATOM 564 OE1 GLU A 69 -12.638 2.656 21.414 1.00 0.00 O ATOM 565 OE2 GLU A 69 -13.400 4.392 22.436 1.00 0.00 O ATOM 0 H GLU A 69 -8.234 2.001 23.304 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.373 3.927 22.438 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.935 1.420 22.761 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.596 1.659 24.464 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.999 1.990 24.120 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.289 3.546 24.502 1.00 0.00 H new ATOM 566 N LEU A 70 -10.413 5.132 24.707 1.00 0.00 N ATOM 567 CA LEU A 70 -10.174 5.985 25.911 1.00 0.00 C ATOM 568 C LEU A 70 -10.298 5.140 27.185 1.00 0.00 C ATOM 569 O LEU A 70 -9.764 5.490 28.219 1.00 0.00 O ATOM 570 CB LEU A 70 -11.207 7.116 25.954 1.00 0.00 C ATOM 571 CG LEU A 70 -10.540 8.408 26.438 1.00 0.00 C ATOM 572 CD1 LEU A 70 -11.562 9.544 26.411 1.00 0.00 C ATOM 573 CD2 LEU A 70 -10.030 8.221 27.872 1.00 0.00 C ATOM 0 H LEU A 70 -11.208 5.410 24.132 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.170 6.406 25.853 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.637 7.266 24.964 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.027 6.847 26.620 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.702 8.649 25.784 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.091 10.465 26.755 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.927 9.681 25.393 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.398 9.297 27.066 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.556 9.142 28.213 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.867 7.979 28.527 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.304 7.409 27.897 1.00 0.00 H new ATOM 574 N SER A 71 -11.001 4.032 27.119 1.00 0.00 N ATOM 575 CA SER A 71 -11.171 3.159 28.323 1.00 0.00 C ATOM 576 C SER A 71 -9.800 2.790 28.906 1.00 0.00 C ATOM 577 O SER A 71 -9.177 1.830 28.496 1.00 0.00 O ATOM 578 CB SER A 71 -11.909 1.880 27.920 1.00 0.00 C ATOM 579 OG SER A 71 -11.129 1.170 26.968 1.00 0.00 O ATOM 0 H SER A 71 -11.466 3.695 26.276 1.00 0.00 H new ATOM 0 HA SER A 71 -11.745 3.699 29.076 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.089 1.258 28.797 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.884 2.126 27.498 1.00 0.00 H new ATOM 0 HG SER A 71 -10.217 1.058 27.310 1.00 0.00 H new ATOM 580 N LYS A 72 -9.334 3.556 29.859 1.00 0.00 N ATOM 581 CA LYS A 72 -8.008 3.275 30.484 1.00 0.00 C ATOM 582 C LYS A 72 -7.750 4.310 31.582 1.00 0.00 C ATOM 583 O LYS A 72 -7.236 3.991 32.638 1.00 0.00 O ATOM 584 CB LYS A 72 -6.908 3.368 29.418 1.00 0.00 C ATOM 585 CG LYS A 72 -6.479 1.960 28.991 1.00 0.00 C ATOM 586 CD LYS A 72 -4.965 1.931 28.762 1.00 0.00 C ATOM 587 CE LYS A 72 -4.244 2.001 30.109 1.00 0.00 C ATOM 588 NZ LYS A 72 -2.950 2.723 29.943 1.00 0.00 N ATOM 0 H LYS A 72 -9.820 4.371 30.233 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.005 2.273 30.913 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.272 3.925 28.554 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.052 3.915 29.812 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.755 1.237 29.758 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.001 1.671 28.078 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.684 1.020 28.234 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.665 2.769 28.133 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.868 2.514 30.841 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.066 0.996 30.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.459 2.771 30.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.355 2.216 29.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.132 3.687 29.597 1.00 0.00 H new ATOM 589 N THR A 73 -8.108 5.546 31.337 1.00 0.00 N ATOM 590 CA THR A 73 -7.892 6.611 32.358 1.00 0.00 C ATOM 591 C THR A 73 -9.178 6.848 33.167 1.00 0.00 C ATOM 592 O THR A 73 -9.237 7.749 33.984 1.00 0.00 O ATOM 593 CB THR A 73 -7.489 7.911 31.657 1.00 0.00 C ATOM 594 OG1 THR A 73 -7.398 8.955 32.615 1.00 0.00 O ATOM 595 CG2 THR A 73 -8.537 8.271 30.604 1.00 0.00 C ATOM 0 H THR A 73 -8.542 5.862 30.470 1.00 0.00 H new ATOM 0 HA THR A 73 -7.101 6.293 33.037 1.00 0.00 H new ATOM 0 HB THR A 73 -6.522 7.778 31.172 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.756 8.644 33.473 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.249 9.197 30.106 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.605 7.469 29.869 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.506 8.404 31.086 1.00 0.00 H new ATOM 596 N TYR A 74 -10.204 6.051 32.958 1.00 0.00 N ATOM 597 CA TYR A 74 -11.470 6.239 33.725 1.00 0.00 C ATOM 598 C TYR A 74 -12.018 4.869 34.145 1.00 0.00 C ATOM 599 O TYR A 74 -13.208 4.713 34.356 1.00 0.00 O ATOM 600 CB TYR A 74 -12.509 6.950 32.851 1.00 0.00 C ATOM 601 CG TYR A 74 -11.936 8.235 32.297 1.00 0.00 C ATOM 602 CD1 TYR A 74 -11.413 9.205 33.163 1.00 0.00 C ATOM 603 CD2 TYR A 74 -11.930 8.460 30.913 1.00 0.00 C ATOM 604 CE1 TYR A 74 -10.885 10.394 32.646 1.00 0.00 C ATOM 605 CE2 TYR A 74 -11.401 9.649 30.399 1.00 0.00 C ATOM 606 CZ TYR A 74 -10.878 10.615 31.264 1.00 0.00 C ATOM 607 OH TYR A 74 -10.357 11.788 30.756 1.00 0.00 O ATOM 0 H TYR A 74 -10.214 5.281 32.289 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.267 6.844 34.609 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.814 6.297 32.033 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.402 7.165 33.438 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.417 9.035 34.230 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.334 7.715 30.243 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.483 11.141 33.314 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.397 9.821 29.333 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.988 11.622 29.863 1.00 0.00 H new ATOM 608 N ILE A 75 -11.166 3.877 34.266 1.00 0.00 N ATOM 609 CA ILE A 75 -11.648 2.519 34.667 1.00 0.00 C ATOM 610 C ILE A 75 -11.441 2.327 36.171 1.00 0.00 C ATOM 611 O ILE A 75 -10.730 3.078 36.811 1.00 0.00 O ATOM 612 CB ILE A 75 -10.875 1.422 33.920 1.00 0.00 C ATOM 613 CG1 ILE A 75 -10.665 1.822 32.451 1.00 0.00 C ATOM 614 CG2 ILE A 75 -11.677 0.116 33.984 1.00 0.00 C ATOM 615 CD1 ILE A 75 -9.812 0.765 31.743 1.00 0.00 C ATOM 0 H ILE A 75 -10.162 3.950 34.105 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.706 2.444 34.416 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.900 1.287 34.389 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.628 1.921 31.950 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.176 2.794 32.396 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.136 -0.669 33.456 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.815 -0.175 35.025 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.650 0.264 33.516 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.666 1.053 30.702 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.844 0.688 32.238 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.319 -0.199 31.785 1.00 0.00 H new ATOM 616 N ILE A 76 -12.059 1.321 36.735 1.00 0.00 N ATOM 617 CA ILE A 76 -11.912 1.060 38.200 1.00 0.00 C ATOM 618 C ILE A 76 -11.592 -0.417 38.436 1.00 0.00 C ATOM 619 O ILE A 76 -10.787 -0.756 39.284 1.00 0.00 O ATOM 620 CB ILE A 76 -13.211 1.404 38.944 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.440 1.045 38.089 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.229 2.896 39.264 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.713 1.225 38.917 1.00 0.00 C ATOM 0 H ILE A 76 -12.663 0.665 36.241 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.102 1.685 38.576 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.251 0.825 39.867 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.477 1.680 37.204 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.364 0.015 37.740 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.150 3.144 39.792 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.373 3.144 39.891 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.177 3.468 38.337 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.581 0.970 38.309 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.676 0.571 39.789 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.791 2.262 39.244 1.00 0.00 H new ATOM 624 N GLY A 77 -12.224 -1.294 37.705 1.00 0.00 N ATOM 625 CA GLY A 77 -11.975 -2.753 37.888 1.00 0.00 C ATOM 626 C GLY A 77 -12.835 -3.539 36.899 1.00 0.00 C ATOM 627 O GLY A 77 -13.316 -3.000 35.920 1.00 0.00 O ATOM 0 H GLY A 77 -12.907 -1.061 36.984 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.920 -2.977 37.728 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.213 -3.049 38.910 1.00 0.00 H new ATOM 628 N GLU A 78 -13.036 -4.807 37.150 1.00 0.00 N ATOM 629 CA GLU A 78 -13.871 -5.633 36.232 1.00 0.00 C ATOM 630 C GLU A 78 -15.224 -5.903 36.898 1.00 0.00 C ATOM 631 O GLU A 78 -15.528 -5.343 37.935 1.00 0.00 O ATOM 632 CB GLU A 78 -13.161 -6.958 35.942 1.00 0.00 C ATOM 633 CG GLU A 78 -12.073 -6.734 34.888 1.00 0.00 C ATOM 634 CD GLU A 78 -11.441 -8.075 34.511 1.00 0.00 C ATOM 635 OE1 GLU A 78 -11.249 -8.888 35.401 1.00 0.00 O ATOM 636 OE2 GLU A 78 -11.160 -8.268 33.341 1.00 0.00 O ATOM 0 H GLU A 78 -12.656 -5.306 37.954 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.024 -5.101 35.293 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.720 -7.354 36.857 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.879 -7.698 35.588 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.501 -6.261 34.004 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.311 -6.057 35.275 1.00 0.00 H new ATOM 637 N LEU A 79 -16.037 -6.753 36.319 1.00 0.00 N ATOM 638 CA LEU A 79 -17.365 -7.054 36.932 1.00 0.00 C ATOM 639 C LEU A 79 -17.298 -8.407 37.643 1.00 0.00 C ATOM 640 O LEU A 79 -16.467 -9.240 37.331 1.00 0.00 O ATOM 641 CB LEU A 79 -18.443 -7.101 35.846 1.00 0.00 C ATOM 642 CG LEU A 79 -19.831 -7.130 36.500 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.800 -6.269 35.688 1.00 0.00 C ATOM 644 CD2 LEU A 79 -20.350 -8.574 36.554 1.00 0.00 C ATOM 0 H LEU A 79 -15.838 -7.249 35.451 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.616 -6.273 37.649 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -18.355 -6.232 35.194 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.306 -7.983 35.221 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.757 -6.736 37.513 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.785 -6.291 36.154 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.436 -5.242 35.657 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.870 -6.659 34.673 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.336 -8.589 37.019 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -20.420 -8.974 35.542 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.663 -9.186 37.139 1.00 0.00 H new ATOM 645 N HIS A 80 -18.164 -8.629 38.598 1.00 0.00 N ATOM 646 CA HIS A 80 -18.158 -9.924 39.339 1.00 0.00 C ATOM 647 C HIS A 80 -18.445 -11.078 38.357 1.00 0.00 C ATOM 648 O HIS A 80 -19.204 -10.904 37.427 1.00 0.00 O ATOM 649 CB HIS A 80 -19.242 -9.889 40.419 1.00 0.00 C ATOM 650 CG HIS A 80 -18.842 -10.773 41.566 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.425 -12.015 41.779 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.917 -10.616 42.569 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.850 -12.551 42.871 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.927 -11.739 43.388 1.00 0.00 N ATOM 0 H HIS A 80 -18.878 -7.965 38.897 1.00 0.00 H new ATOM 0 HA HIS A 80 -17.184 -10.079 39.803 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -19.388 -8.867 40.769 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -20.193 -10.223 40.004 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.280 -9.754 42.701 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.104 -13.518 43.278 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.349 -11.907 44.212 1.00 0.00 H new ATOM 655 N PRO A 81 -17.837 -12.229 38.581 1.00 0.00 N ATOM 656 CA PRO A 81 -18.025 -13.427 37.707 1.00 0.00 C ATOM 657 C PRO A 81 -19.294 -14.192 38.105 1.00 0.00 C ATOM 658 O PRO A 81 -19.875 -14.900 37.306 1.00 0.00 O ATOM 659 CB PRO A 81 -16.781 -14.262 37.975 1.00 0.00 C ATOM 660 CG PRO A 81 -16.259 -13.866 39.348 1.00 0.00 C ATOM 661 CD PRO A 81 -16.885 -12.516 39.713 1.00 0.00 C ATOM 0 HA PRO A 81 -18.145 -13.173 36.654 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.018 -15.325 37.946 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.025 -14.083 37.210 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.520 -14.622 40.089 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.172 -13.793 39.337 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.407 -12.565 40.669 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.127 -11.737 39.803 1.00 0.00 H new ATOM 662 N ASP A 82 -19.723 -14.053 39.336 1.00 0.00 N ATOM 663 CA ASP A 82 -20.951 -14.770 39.791 1.00 0.00 C ATOM 664 C ASP A 82 -22.197 -14.057 39.259 1.00 0.00 C ATOM 665 O ASP A 82 -23.214 -14.678 39.013 1.00 0.00 O ATOM 666 CB ASP A 82 -20.990 -14.789 41.321 1.00 0.00 C ATOM 667 CG ASP A 82 -19.752 -15.513 41.854 1.00 0.00 C ATOM 668 OD1 ASP A 82 -18.660 -15.017 41.632 1.00 0.00 O ATOM 669 OD2 ASP A 82 -19.918 -16.549 42.475 1.00 0.00 O ATOM 0 H ASP A 82 -19.274 -13.473 40.045 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.933 -15.791 39.411 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -21.023 -13.770 41.707 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.894 -15.290 41.666 1.00 0.00 H new ATOM 670 N ASP A 83 -22.130 -12.759 39.087 1.00 0.00 N ATOM 671 CA ASP A 83 -23.313 -12.007 38.577 1.00 0.00 C ATOM 672 C ASP A 83 -23.257 -11.924 37.050 1.00 0.00 C ATOM 673 O ASP A 83 -24.274 -11.910 36.384 1.00 0.00 O ATOM 674 CB ASP A 83 -23.316 -10.594 39.165 1.00 0.00 C ATOM 675 CG ASP A 83 -23.204 -10.672 40.688 1.00 0.00 C ATOM 676 OD1 ASP A 83 -24.215 -10.922 41.325 1.00 0.00 O ATOM 677 OD2 ASP A 83 -22.111 -10.480 41.194 1.00 0.00 O ATOM 0 H ASP A 83 -21.305 -12.190 39.279 1.00 0.00 H new ATOM 0 HA ASP A 83 -24.223 -12.527 38.876 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -22.485 -10.018 38.758 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -24.232 -10.074 38.884 1.00 0.00 H new ATOM 678 N ARG A 84 -22.072 -11.865 36.491 1.00 0.00 N ATOM 679 CA ARG A 84 -21.939 -11.780 35.003 1.00 0.00 C ATOM 680 C ARG A 84 -22.600 -13.000 34.354 1.00 0.00 C ATOM 681 O ARG A 84 -22.717 -14.049 34.959 1.00 0.00 O ATOM 682 CB ARG A 84 -20.457 -11.744 34.626 1.00 0.00 C ATOM 683 CG ARG A 84 -20.303 -11.207 33.198 1.00 0.00 C ATOM 684 CD ARG A 84 -20.177 -12.377 32.217 1.00 0.00 C ATOM 685 NE ARG A 84 -19.194 -12.029 31.155 1.00 0.00 N ATOM 686 CZ ARG A 84 -18.079 -12.700 31.052 1.00 0.00 C ATOM 687 NH1 ARG A 84 -17.374 -12.961 32.118 1.00 0.00 N ATOM 688 NH2 ARG A 84 -17.669 -13.110 29.882 1.00 0.00 N ATOM 0 H ARG A 84 -21.190 -11.872 37.003 1.00 0.00 H new ATOM 0 HA ARG A 84 -22.429 -10.873 34.649 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -19.909 -11.112 35.324 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -20.029 -12.744 34.698 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -21.163 -10.591 32.936 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -19.422 -10.568 33.132 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -19.856 -13.275 32.745 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -21.147 -12.598 31.772 1.00 0.00 H new ATOM 0 HE ARG A 84 -19.392 -11.266 30.508 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -17.694 -12.641 33.032 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -16.503 -13.485 32.038 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.220 -12.906 29.048 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -16.798 -13.634 29.802 1.00 0.00 H new ATOM 689 N SER A 85 -23.031 -12.867 33.125 1.00 0.00 N ATOM 690 CA SER A 85 -23.686 -14.010 32.425 1.00 0.00 C ATOM 691 C SER A 85 -22.694 -15.168 32.291 1.00 0.00 C ATOM 692 O SER A 85 -21.540 -14.971 31.962 1.00 0.00 O ATOM 693 CB SER A 85 -24.139 -13.564 31.034 1.00 0.00 C ATOM 694 OG SER A 85 -24.536 -12.200 31.085 1.00 0.00 O ATOM 0 H SER A 85 -22.956 -12.011 32.575 1.00 0.00 H new ATOM 0 HA SER A 85 -24.550 -14.339 33.002 1.00 0.00 H new ATOM 0 HB2 SER A 85 -23.329 -13.692 30.316 1.00 0.00 H new ATOM 0 HB3 SER A 85 -24.968 -14.184 30.693 1.00 0.00 H new ATOM 0 HG SER A 85 -24.825 -11.910 30.195 1.00 0.00 H new ATOM 695 N LYS A 86 -23.140 -16.372 32.544 1.00 0.00 N ATOM 696 CA LYS A 86 -22.233 -17.551 32.436 1.00 0.00 C ATOM 697 C LYS A 86 -23.030 -18.831 32.694 1.00 0.00 C ATOM 698 O LYS A 86 -22.991 -19.763 31.913 1.00 0.00 O ATOM 699 CB LYS A 86 -21.111 -17.430 33.471 1.00 0.00 C ATOM 700 CG LYS A 86 -20.094 -18.551 33.255 1.00 0.00 C ATOM 701 CD LYS A 86 -19.507 -18.973 34.603 1.00 0.00 C ATOM 702 CE LYS A 86 -19.134 -20.456 34.556 1.00 0.00 C ATOM 703 NZ LYS A 86 -19.349 -21.065 35.899 1.00 0.00 N ATOM 0 H LYS A 86 -24.097 -16.588 32.822 1.00 0.00 H new ATOM 0 HA LYS A 86 -21.801 -17.587 31.436 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -20.623 -16.460 33.382 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.523 -17.488 34.478 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -20.573 -19.403 32.772 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.299 -18.213 32.590 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.626 -18.373 34.832 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.230 -18.794 35.399 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.740 -20.971 33.810 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.093 -20.571 34.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.096 -22.073 35.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.753 -20.580 36.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.349 -20.968 36.168 1.00 0.00 H new ATOM 704 N ILE A 87 -23.750 -18.880 33.786 1.00 0.00 N ATOM 705 CA ILE A 87 -24.555 -20.094 34.105 1.00 0.00 C ATOM 706 C ILE A 87 -25.855 -20.070 33.297 1.00 0.00 C ATOM 707 O ILE A 87 -26.241 -21.057 32.698 1.00 0.00 O ATOM 708 CB ILE A 87 -24.886 -20.113 35.601 1.00 0.00 C ATOM 709 CG1 ILE A 87 -23.593 -19.950 36.416 1.00 0.00 C ATOM 710 CG2 ILE A 87 -25.552 -21.443 35.958 1.00 0.00 C ATOM 711 CD1 ILE A 87 -23.450 -18.496 36.879 1.00 0.00 C ATOM 0 H ILE A 87 -23.814 -18.128 34.472 1.00 0.00 H new ATOM 0 HA ILE A 87 -23.982 -20.985 33.849 1.00 0.00 H new ATOM 0 HB ILE A 87 -25.565 -19.293 35.833 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -23.610 -20.616 37.279 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -22.732 -20.235 35.811 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -25.788 -21.458 37.022 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -26.470 -21.557 35.381 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -24.873 -22.264 35.725 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -22.532 -18.387 37.456 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -23.413 -17.839 36.010 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -24.304 -18.227 37.501 1.00 0.00 H new ATOM 712 N ALA A 88 -26.529 -18.949 33.278 1.00 0.00 N ATOM 713 CA ALA A 88 -27.805 -18.848 32.511 1.00 0.00 C ATOM 714 C ALA A 88 -27.508 -18.391 31.081 1.00 0.00 C ATOM 715 O ALA A 88 -26.362 -18.262 30.689 1.00 0.00 O ATOM 716 CB ALA A 88 -28.728 -17.832 33.188 1.00 0.00 C ATOM 0 H ALA A 88 -26.249 -18.096 33.763 1.00 0.00 H new ATOM 0 HA ALA A 88 -28.291 -19.823 32.487 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -29.660 -17.758 32.628 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -28.941 -18.156 34.207 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -28.241 -16.857 33.212 1.00 0.00 H new ATOM 717 N LYS A 89 -28.530 -18.148 30.302 1.00 0.00 N ATOM 718 CA LYS A 89 -28.318 -17.699 28.895 1.00 0.00 C ATOM 719 C LYS A 89 -29.634 -17.141 28.330 1.00 0.00 C ATOM 720 O LYS A 89 -30.676 -17.321 28.928 1.00 0.00 O ATOM 721 CB LYS A 89 -27.860 -18.886 28.044 1.00 0.00 C ATOM 722 CG LYS A 89 -26.331 -18.935 28.017 1.00 0.00 C ATOM 723 CD LYS A 89 -25.863 -19.524 26.684 1.00 0.00 C ATOM 724 CE LYS A 89 -24.418 -19.098 26.417 1.00 0.00 C ATOM 725 NZ LYS A 89 -24.410 -17.790 25.704 1.00 0.00 N ATOM 0 H LYS A 89 -29.506 -18.242 30.582 1.00 0.00 H new ATOM 0 HA LYS A 89 -27.555 -16.921 28.874 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -28.257 -19.815 28.453 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -28.249 -18.792 27.030 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -25.922 -17.933 28.148 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -25.961 -19.541 28.844 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -25.934 -20.611 26.710 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -26.510 -19.182 25.876 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.872 -19.015 27.357 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -23.909 -19.854 25.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -23.428 -17.500 25.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.916 -17.884 24.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.880 -17.072 26.291 1.00 0.00 H new ATOM 726 N PRO A 90 -29.560 -16.477 27.192 1.00 0.00 N ATOM 727 CA PRO A 90 -30.748 -15.874 26.515 1.00 0.00 C ATOM 728 C PRO A 90 -31.472 -16.926 25.668 1.00 0.00 C ATOM 729 O PRO A 90 -32.679 -17.064 25.733 1.00 0.00 O ATOM 730 CB PRO A 90 -30.145 -14.789 25.635 1.00 0.00 C ATOM 731 CG PRO A 90 -28.698 -15.181 25.365 1.00 0.00 C ATOM 732 CD PRO A 90 -28.296 -16.225 26.412 1.00 0.00 C ATOM 0 HA PRO A 90 -31.489 -15.486 27.214 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -30.700 -14.698 24.701 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -30.195 -13.820 26.131 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -28.593 -15.588 24.359 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -28.048 -14.308 25.425 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -27.930 -17.138 25.943 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -27.498 -15.855 27.056 1.00 0.00 H new ATOM 733 N SER A 91 -30.738 -17.666 24.874 1.00 0.00 N ATOM 734 CA SER A 91 -31.372 -18.711 24.019 1.00 0.00 C ATOM 735 C SER A 91 -30.757 -20.074 24.339 1.00 0.00 C ATOM 736 O SER A 91 -29.943 -20.200 25.236 1.00 0.00 O ATOM 737 CB SER A 91 -31.131 -18.378 22.546 1.00 0.00 C ATOM 738 OG SER A 91 -31.743 -17.132 22.240 1.00 0.00 O ATOM 0 H SER A 91 -29.725 -17.589 24.783 1.00 0.00 H new ATOM 0 HA SER A 91 -32.444 -18.740 24.216 1.00 0.00 H new ATOM 0 HB2 SER A 91 -30.061 -18.331 22.342 1.00 0.00 H new ATOM 0 HB3 SER A 91 -31.542 -19.164 21.912 1.00 0.00 H new ATOM 0 HG SER A 91 -31.589 -16.915 21.297 1.00 0.00 H new ATOM 739 N GLU A 92 -31.141 -21.094 23.615 1.00 0.00 N ATOM 740 CA GLU A 92 -30.585 -22.454 23.870 1.00 0.00 C ATOM 741 C GLU A 92 -29.716 -22.881 22.685 1.00 0.00 C ATOM 742 O GLU A 92 -30.155 -22.877 21.551 1.00 0.00 O ATOM 743 CB GLU A 92 -31.734 -23.450 24.045 1.00 0.00 C ATOM 744 CG GLU A 92 -31.320 -24.538 25.038 1.00 0.00 C ATOM 745 CD GLU A 92 -31.468 -24.009 26.465 1.00 0.00 C ATOM 746 OE1 GLU A 92 -30.824 -23.022 26.781 1.00 0.00 O ATOM 747 OE2 GLU A 92 -32.223 -24.599 27.220 1.00 0.00 O ATOM 0 H GLU A 92 -31.819 -21.041 22.855 1.00 0.00 H new ATOM 0 HA GLU A 92 -29.979 -22.435 24.776 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -32.625 -22.934 24.405 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -31.991 -23.898 23.085 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -31.939 -25.425 24.901 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -30.288 -24.838 24.855 1.00 0.00 H new ATOM 748 N THR A 93 -28.486 -23.248 22.943 1.00 0.00 N ATOM 749 CA THR A 93 -27.579 -23.677 21.838 1.00 0.00 C ATOM 750 C THR A 93 -27.888 -25.126 21.460 1.00 0.00 C ATOM 751 O THR A 93 -28.420 -25.883 22.249 1.00 0.00 O ATOM 752 CB THR A 93 -26.124 -23.568 22.299 1.00 0.00 C ATOM 753 OG1 THR A 93 -25.270 -24.101 21.297 1.00 0.00 O ATOM 754 CG2 THR A 93 -25.938 -24.351 23.601 1.00 0.00 C ATOM 0 H THR A 93 -28.071 -23.269 23.874 1.00 0.00 H new ATOM 0 HA THR A 93 -27.733 -23.034 20.971 1.00 0.00 H new ATOM 0 HB THR A 93 -25.875 -22.521 22.470 1.00 0.00 H new ATOM 0 HG1 THR A 93 -24.338 -24.030 21.590 1.00 0.00 H new ATOM 0 HG21 THR A 93 -24.901 -24.272 23.928 1.00 0.00 H new ATOM 0 HG22 THR A 93 -26.593 -23.940 24.369 1.00 0.00 H new ATOM 0 HG23 THR A 93 -26.187 -25.399 23.434 1.00 0.00 H new ATOM 755 N LEU A 94 -27.555 -25.516 20.255 1.00 0.00 N ATOM 756 CA LEU A 94 -27.825 -26.916 19.813 1.00 0.00 C ATOM 757 C LEU A 94 -26.688 -27.393 18.908 1.00 0.00 C ATOM 758 O LEU A 94 -26.627 -28.581 18.643 1.00 0.00 O ATOM 759 CB LEU A 94 -29.145 -26.963 19.041 1.00 0.00 C ATOM 760 CG LEU A 94 -29.762 -28.355 19.168 1.00 0.00 C ATOM 761 CD1 LEU A 94 -30.371 -28.520 20.562 1.00 0.00 C ATOM 762 CD2 LEU A 94 -30.857 -28.525 18.112 1.00 0.00 C ATOM 763 OXT LEU A 94 -25.898 -26.560 18.494 1.00 0.00 O ATOM 0 H LEU A 94 -27.107 -24.922 19.557 1.00 0.00 H new ATOM 0 HA LEU A 94 -27.892 -27.565 20.686 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -29.833 -26.212 19.430 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -28.973 -26.724 17.991 1.00 0.00 H new ATOM 0 HG LEU A 94 -28.989 -29.109 19.018 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -30.811 -29.513 20.652 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -29.593 -28.398 21.316 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -31.144 -27.766 20.713 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -31.298 -29.518 18.202 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -31.629 -27.770 18.263 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -30.425 -28.408 17.118 1.00 0.00 H new TER 764 LEU A 94