USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 725 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 65 ASN : amide:sc= -2.34 K(o=-2.3,f=-6.8!) USER MOD Set 1.2: A 67 SER OG : rot 93:sc= 0.0211 USER MOD Set 2.1: A 51 ASN : amide:sc= -0.109 X(o=-0.52,f=-0.38) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= -0.41 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 31 LYS NZ :NH3+ -159:sc= -0.032 (180deg=-0.357) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= -1.54 (180deg=-4.3!) USER MOD Single : A 3 SER OG : rot 45:sc= 0.00505 USER MOD Single : A 5 SER OG : rot 44:sc= 1.2 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -130:sc= -1.32 USER MOD Single : A 22 MET CE :methyl -111:sc= -0.534 (180deg=-4.26!) USER MOD Single : A 23 THR OG1 : rot 70:sc= -3.54! USER MOD Single : A 24 THR OG1 : rot -90:sc= -0.568 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.0345 (180deg=-0.0345) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0645 X(o=-0.065,f=-0.006) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.6!) USER MOD Single : A 48 THR OG1 : rot 42:sc= 0.727 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 50 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 56 SER OG : rot 180:sc= -0.349 USER MOD Single : A 58 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.2!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.165 USER MOD Single : A 61 MET CE :methyl -140:sc= -0.858 (180deg=-6.09!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.085) USER MOD Single : A 74 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.25) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -43:sc= -0.0375 USER MOD Single : A 78 GLN : amide:sc= -0.333 K(o=-0.33,f=-2.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 142:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.318 -28.072 -0.381 1.00 0.00 N ATOM 2 CA MET A 1 -23.023 -29.151 -1.367 1.00 0.00 C ATOM 3 C MET A 1 -24.226 -29.430 -2.268 1.00 0.00 C ATOM 4 O MET A 1 -24.141 -29.288 -3.487 1.00 0.00 O ATOM 5 CB MET A 1 -22.622 -30.422 -0.611 1.00 0.00 C ATOM 6 CG MET A 1 -21.124 -30.555 -0.397 1.00 0.00 C ATOM 7 SD MET A 1 -20.541 -32.251 -0.589 1.00 0.00 S ATOM 8 CE MET A 1 -20.057 -32.636 1.092 1.00 0.00 C ATOM 0 H1 MET A 1 -22.623 -27.305 -0.487 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.274 -27.699 -0.550 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.263 -28.458 0.583 1.00 0.00 H new ATOM 0 HA MET A 1 -22.204 -28.824 -2.007 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.121 -30.431 0.358 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.980 -31.291 -1.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.601 -29.913 -1.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.871 -30.199 0.602 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.674 -33.656 1.136 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.281 -31.942 1.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.922 -32.545 1.750 1.00 0.00 H new ATOM 20 N PRO A 2 -25.367 -29.835 -1.681 1.00 0.00 N ATOM 21 CA PRO A 2 -26.582 -30.132 -2.445 1.00 0.00 C ATOM 22 C PRO A 2 -27.248 -28.873 -2.987 1.00 0.00 C ATOM 23 O PRO A 2 -27.921 -28.909 -4.017 1.00 0.00 O ATOM 24 CB PRO A 2 -27.488 -30.815 -1.418 1.00 0.00 C ATOM 25 CG PRO A 2 -27.042 -30.274 -0.105 1.00 0.00 C ATOM 26 CD PRO A 2 -25.563 -30.032 -0.232 1.00 0.00 C ATOM 0 HA PRO A 2 -26.372 -30.743 -3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -28.538 -30.589 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.383 -31.899 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -27.569 -29.350 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -27.254 -30.979 0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -25.250 -29.157 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -24.985 -30.878 0.139 1.00 0.00 H new ATOM 34 N SER A 3 -27.054 -27.758 -2.290 1.00 0.00 N ATOM 35 CA SER A 3 -27.636 -26.486 -2.703 1.00 0.00 C ATOM 36 C SER A 3 -26.862 -25.315 -2.103 1.00 0.00 C ATOM 37 O SER A 3 -26.846 -25.126 -0.888 1.00 0.00 O ATOM 38 CB SER A 3 -29.106 -26.414 -2.285 1.00 0.00 C ATOM 39 OG SER A 3 -29.963 -26.561 -3.403 1.00 0.00 O ATOM 0 H SER A 3 -26.498 -27.710 -1.436 1.00 0.00 H new ATOM 0 HA SER A 3 -27.573 -26.420 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.318 -27.195 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.302 -25.460 -1.796 1.00 0.00 H new ATOM 0 HG SER A 3 -29.648 -27.302 -3.961 1.00 0.00 H new ATOM 45 N ASP A 4 -26.222 -24.531 -2.966 1.00 0.00 N ATOM 46 CA ASP A 4 -25.447 -23.379 -2.523 1.00 0.00 C ATOM 47 C ASP A 4 -26.076 -22.079 -3.016 1.00 0.00 C ATOM 48 O ASP A 4 -26.906 -22.084 -3.924 1.00 0.00 O ATOM 49 CB ASP A 4 -24.006 -23.484 -3.022 1.00 0.00 C ATOM 50 CG ASP A 4 -23.924 -23.587 -4.533 1.00 0.00 C ATOM 51 OD1 ASP A 4 -24.775 -24.278 -5.129 1.00 0.00 O ATOM 52 OD2 ASP A 4 -23.008 -22.973 -5.120 1.00 0.00 O ATOM 0 H ASP A 4 -26.226 -24.674 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 4 -25.446 -23.371 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -23.444 -22.611 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -23.532 -24.358 -2.575 1.00 0.00 H new ATOM 57 N SER A 5 -25.672 -20.966 -2.409 1.00 0.00 N ATOM 58 CA SER A 5 -26.195 -19.658 -2.786 1.00 0.00 C ATOM 59 C SER A 5 -25.405 -18.542 -2.111 1.00 0.00 C ATOM 60 O SER A 5 -25.084 -18.624 -0.925 1.00 0.00 O ATOM 61 CB SER A 5 -27.674 -19.550 -2.411 1.00 0.00 C ATOM 62 OG SER A 5 -28.503 -19.961 -3.485 1.00 0.00 O ATOM 0 H SER A 5 -24.985 -20.945 -1.655 1.00 0.00 H new ATOM 0 HA SER A 5 -26.092 -19.550 -3.866 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.876 -20.166 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.909 -18.521 -2.139 1.00 0.00 H new ATOM 0 HG SER A 5 -28.143 -20.782 -3.881 1.00 0.00 H new ATOM 68 N LYS A 6 -25.093 -17.499 -2.874 1.00 0.00 N ATOM 69 CA LYS A 6 -24.340 -16.366 -2.348 1.00 0.00 C ATOM 70 C LYS A 6 -24.689 -15.085 -3.100 1.00 0.00 C ATOM 71 O LYS A 6 -25.533 -15.090 -3.995 1.00 0.00 O ATOM 72 CB LYS A 6 -22.837 -16.636 -2.447 1.00 0.00 C ATOM 73 CG LYS A 6 -22.279 -17.407 -1.260 1.00 0.00 C ATOM 74 CD LYS A 6 -22.320 -16.576 0.012 1.00 0.00 C ATOM 75 CE LYS A 6 -20.970 -15.941 0.307 1.00 0.00 C ATOM 76 NZ LYS A 6 -20.643 -15.980 1.759 1.00 0.00 N ATOM 0 H LYS A 6 -25.350 -17.415 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 6 -24.611 -16.236 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -22.636 -17.196 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.310 -15.686 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.853 -18.322 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.251 -17.705 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.076 -15.797 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.618 -17.206 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.194 -16.461 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.973 -14.907 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.715 -15.538 1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.370 -15.462 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.615 -16.968 2.082 1.00 0.00 H new ATOM 90 N LYS A 7 -24.031 -13.991 -2.730 1.00 0.00 N ATOM 91 CA LYS A 7 -24.269 -12.702 -3.368 1.00 0.00 C ATOM 92 C LYS A 7 -23.092 -12.307 -4.258 1.00 0.00 C ATOM 93 O LYS A 7 -22.045 -11.890 -3.763 1.00 0.00 O ATOM 94 CB LYS A 7 -24.506 -11.624 -2.308 1.00 0.00 C ATOM 95 CG LYS A 7 -25.188 -10.379 -2.848 1.00 0.00 C ATOM 96 CD LYS A 7 -26.682 -10.596 -3.025 1.00 0.00 C ATOM 97 CE LYS A 7 -27.006 -11.139 -4.407 1.00 0.00 C ATOM 98 NZ LYS A 7 -28.309 -10.628 -4.915 1.00 0.00 N ATOM 0 H LYS A 7 -23.328 -13.972 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.158 -12.792 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -25.114 -12.042 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -23.549 -11.342 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -25.018 -9.545 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -24.743 -10.105 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.042 -11.291 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.208 -9.654 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -26.212 -10.862 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -27.032 -12.228 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -28.492 -11.022 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -29.071 -10.914 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -28.276 -9.590 -4.974 1.00 0.00 H new ATOM 112 N PRO A 8 -23.242 -12.440 -5.589 1.00 0.00 N ATOM 113 CA PRO A 8 -22.185 -12.100 -6.541 1.00 0.00 C ATOM 114 C PRO A 8 -22.147 -10.612 -6.886 1.00 0.00 C ATOM 115 O PRO A 8 -21.509 -10.209 -7.858 1.00 0.00 O ATOM 116 CB PRO A 8 -22.570 -12.919 -7.769 1.00 0.00 C ATOM 117 CG PRO A 8 -24.060 -12.963 -7.732 1.00 0.00 C ATOM 118 CD PRO A 8 -24.452 -12.940 -6.274 1.00 0.00 C ATOM 0 HA PRO A 8 -21.193 -12.314 -6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -22.209 -12.454 -8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -22.142 -13.920 -7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -24.487 -12.112 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -24.434 -13.863 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -25.308 -12.288 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -24.731 -13.932 -5.919 1.00 0.00 H new ATOM 126 N THR A 9 -22.831 -9.797 -6.087 1.00 0.00 N ATOM 127 CA THR A 9 -22.869 -8.356 -6.318 1.00 0.00 C ATOM 128 C THR A 9 -21.477 -7.739 -6.214 1.00 0.00 C ATOM 129 O THR A 9 -21.249 -6.624 -6.681 1.00 0.00 O ATOM 130 CB THR A 9 -23.811 -7.685 -5.318 1.00 0.00 C ATOM 131 OG1 THR A 9 -23.794 -6.278 -5.478 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.468 -7.987 -3.875 1.00 0.00 C ATOM 0 H THR A 9 -23.365 -10.109 -5.276 1.00 0.00 H new ATOM 0 HA THR A 9 -23.239 -8.191 -7.330 1.00 0.00 H new ATOM 0 HB THR A 9 -24.798 -8.095 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 9 -24.404 -5.868 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.176 -7.480 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 9 -23.522 -9.062 -3.705 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.459 -7.636 -3.660 1.00 0.00 H new ATOM 140 N ILE A 10 -20.550 -8.463 -5.596 1.00 0.00 N ATOM 141 CA ILE A 10 -19.188 -7.973 -5.433 1.00 0.00 C ATOM 142 C ILE A 10 -18.182 -9.119 -5.482 1.00 0.00 C ATOM 143 O ILE A 10 -17.934 -9.787 -4.477 1.00 0.00 O ATOM 144 CB ILE A 10 -19.035 -7.206 -4.104 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.830 -5.899 -4.154 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.568 -6.924 -3.799 1.00 0.00 C ATOM 147 CD1 ILE A 10 -19.275 -4.889 -5.134 1.00 0.00 C ATOM 0 H ILE A 10 -20.717 -9.388 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.985 -7.293 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.431 -7.830 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.863 -6.122 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.847 -5.455 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.490 -6.382 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.025 -7.866 -3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.139 -6.322 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.889 -3.989 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.252 -4.636 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.284 -5.313 -6.138 1.00 0.00 H new ATOM 159 N ILE A 11 -17.600 -9.331 -6.656 1.00 0.00 N ATOM 160 CA ILE A 11 -16.612 -10.384 -6.838 1.00 0.00 C ATOM 161 C ILE A 11 -15.594 -9.995 -7.904 1.00 0.00 C ATOM 162 O ILE A 11 -15.852 -10.121 -9.101 1.00 0.00 O ATOM 163 CB ILE A 11 -17.277 -11.718 -7.236 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.365 -12.090 -6.229 1.00 0.00 C ATOM 165 CG2 ILE A 11 -16.237 -12.825 -7.330 1.00 0.00 C ATOM 166 CD1 ILE A 11 -18.990 -13.447 -6.480 1.00 0.00 C ATOM 0 H ILE A 11 -17.796 -8.787 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.104 -10.515 -5.882 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.738 -11.596 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.939 -12.076 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.146 -11.330 -6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.724 -13.759 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.493 -12.562 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.748 -12.948 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.753 -13.641 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -19.447 -13.460 -7.470 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.221 -14.218 -6.425 1.00 0.00 H new ATOM 178 N TYR A 12 -14.435 -9.527 -7.459 1.00 0.00 N ATOM 179 CA TYR A 12 -13.370 -9.122 -8.371 1.00 0.00 C ATOM 180 C TYR A 12 -12.005 -9.503 -7.811 1.00 0.00 C ATOM 181 O TYR A 12 -11.374 -8.723 -7.101 1.00 0.00 O ATOM 182 CB TYR A 12 -13.424 -7.612 -8.624 1.00 0.00 C ATOM 183 CG TYR A 12 -13.820 -6.800 -7.408 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.876 -6.424 -6.459 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.137 -6.406 -7.214 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.236 -5.681 -5.351 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.505 -5.662 -6.108 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.550 -5.301 -5.180 1.00 0.00 C ATOM 189 OH TYR A 12 -14.913 -4.560 -4.079 1.00 0.00 O ATOM 0 H TYR A 12 -14.207 -9.418 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.519 -9.645 -9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.447 -7.276 -8.970 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.133 -7.413 -9.428 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.845 -6.717 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.887 -6.685 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.491 -5.399 -4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.534 -5.365 -5.971 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.875 -4.376 -4.111 1.00 0.00 H new ATOM 199 N PRO A 13 -11.524 -10.717 -8.123 1.00 0.00 N ATOM 200 CA PRO A 13 -10.234 -11.194 -7.650 1.00 0.00 C ATOM 201 C PRO A 13 -9.099 -10.824 -8.597 1.00 0.00 C ATOM 202 O PRO A 13 -8.515 -11.687 -9.254 1.00 0.00 O ATOM 203 CB PRO A 13 -10.448 -12.700 -7.614 1.00 0.00 C ATOM 204 CG PRO A 13 -11.350 -12.970 -8.772 1.00 0.00 C ATOM 205 CD PRO A 13 -12.198 -11.729 -8.958 1.00 0.00 C ATOM 0 HA PRO A 13 -9.941 -10.760 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.505 -13.239 -7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.901 -13.015 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.773 -13.183 -9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.976 -13.842 -8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.237 -11.424 -10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.226 -11.894 -8.635 1.00 0.00 H new ATOM 213 N CYS A 14 -8.795 -9.532 -8.666 1.00 0.00 N ATOM 214 CA CYS A 14 -7.734 -9.043 -9.538 1.00 0.00 C ATOM 215 C CYS A 14 -6.901 -7.974 -8.834 1.00 0.00 C ATOM 216 O CYS A 14 -7.282 -7.470 -7.778 1.00 0.00 O ATOM 217 CB CYS A 14 -8.336 -8.479 -10.827 1.00 0.00 C ATOM 218 SG CYS A 14 -9.272 -6.946 -10.606 1.00 0.00 S ATOM 0 H CYS A 14 -9.268 -8.805 -8.129 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.078 -9.878 -9.785 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.532 -8.300 -11.541 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.992 -9.231 -11.267 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.737 -6.552 -11.754 1.00 0.00 H new ATOM 224 N LEU A 15 -5.761 -7.632 -9.428 1.00 0.00 N ATOM 225 CA LEU A 15 -4.876 -6.622 -8.858 1.00 0.00 C ATOM 226 C LEU A 15 -5.383 -5.217 -9.172 1.00 0.00 C ATOM 227 O LEU A 15 -5.337 -4.771 -10.319 1.00 0.00 O ATOM 228 CB LEU A 15 -3.452 -6.799 -9.393 1.00 0.00 C ATOM 229 CG LEU A 15 -2.391 -7.081 -8.328 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.253 -7.904 -8.913 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.863 -5.778 -7.744 1.00 0.00 C ATOM 0 H LEU A 15 -5.429 -8.039 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.866 -6.751 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.450 -7.618 -10.112 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.169 -5.897 -9.936 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.853 -7.656 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.508 -8.095 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.643 -8.852 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.792 -7.355 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.109 -5.997 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.417 -5.178 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.684 -5.225 -7.288 1.00 0.00 H new ATOM 243 N TRP A 16 -5.869 -4.527 -8.146 1.00 0.00 N ATOM 244 CA TRP A 16 -6.387 -3.173 -8.313 1.00 0.00 C ATOM 245 C TRP A 16 -5.438 -2.147 -7.701 1.00 0.00 C ATOM 246 O TRP A 16 -4.838 -2.386 -6.654 1.00 0.00 O ATOM 247 CB TRP A 16 -7.770 -3.052 -7.671 1.00 0.00 C ATOM 248 CG TRP A 16 -8.535 -1.849 -8.131 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.726 -0.686 -7.443 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.218 -1.693 -9.381 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.484 0.185 -8.189 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.798 -0.411 -9.382 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.393 -2.512 -10.500 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.539 0.071 -10.458 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -10.130 -2.034 -11.567 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.694 -0.754 -11.540 1.00 0.00 C ATOM 0 H TRP A 16 -5.915 -4.882 -7.191 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.470 -2.972 -9.381 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.347 -3.949 -7.897 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.657 -3.010 -6.588 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.338 -0.480 -6.456 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.767 1.122 -7.901 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.960 -3.501 -10.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.975 1.059 -10.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -10.273 -2.659 -12.436 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.264 -0.409 -12.390 1.00 0.00 H new ATOM 267 N ASP A 17 -5.310 -1.001 -8.364 1.00 0.00 N ATOM 268 CA ASP A 17 -4.437 0.065 -7.885 1.00 0.00 C ATOM 269 C ASP A 17 -5.217 1.055 -7.026 1.00 0.00 C ATOM 270 O ASP A 17 -6.432 1.189 -7.164 1.00 0.00 O ATOM 271 CB ASP A 17 -3.793 0.793 -9.066 1.00 0.00 C ATOM 272 CG ASP A 17 -4.818 1.314 -10.054 1.00 0.00 C ATOM 273 OD1 ASP A 17 -5.370 2.408 -9.815 1.00 0.00 O ATOM 274 OD2 ASP A 17 -5.068 0.628 -11.067 1.00 0.00 O ATOM 0 H ASP A 17 -5.799 -0.787 -9.233 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.654 -0.383 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.196 1.625 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.111 0.115 -9.579 1.00 0.00 H new ATOM 279 N TYR A 18 -4.510 1.747 -6.138 1.00 0.00 N ATOM 280 CA TYR A 18 -5.140 2.722 -5.257 1.00 0.00 C ATOM 281 C TYR A 18 -4.308 3.998 -5.165 1.00 0.00 C ATOM 282 O TYR A 18 -3.247 4.013 -4.540 1.00 0.00 O ATOM 283 CB TYR A 18 -5.339 2.126 -3.861 1.00 0.00 C ATOM 284 CG TYR A 18 -6.272 0.936 -3.840 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.645 1.105 -3.958 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.778 -0.357 -3.700 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.501 0.020 -3.939 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.628 -1.446 -3.680 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.988 -1.252 -3.801 1.00 0.00 C ATOM 290 OH TYR A 18 -8.838 -2.335 -3.781 1.00 0.00 O ATOM 0 H TYR A 18 -3.503 1.650 -6.010 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.112 2.977 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.370 1.825 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.732 2.897 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.051 2.100 -4.066 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.713 -0.512 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.567 0.168 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.230 -2.444 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.628 -2.902 -3.010 1.00 0.00 H new ATOM 300 N ARG A 19 -4.795 5.062 -5.791 1.00 0.00 N ATOM 301 CA ARG A 19 -4.099 6.343 -5.778 1.00 0.00 C ATOM 302 C ARG A 19 -4.333 7.071 -4.458 1.00 0.00 C ATOM 303 O ARG A 19 -5.386 7.673 -4.247 1.00 0.00 O ATOM 304 CB ARG A 19 -4.564 7.212 -6.949 1.00 0.00 C ATOM 305 CG ARG A 19 -3.482 7.464 -7.987 1.00 0.00 C ATOM 306 CD ARG A 19 -3.016 8.912 -7.971 1.00 0.00 C ATOM 307 NE ARG A 19 -3.987 9.807 -8.595 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.925 11.135 -8.525 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.938 11.725 -7.861 1.00 0.00 N ATOM 310 NH2 ARG A 19 -4.849 11.874 -9.121 1.00 0.00 N ATOM 0 H ARG A 19 -5.670 5.063 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.031 6.153 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.414 6.731 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.916 8.169 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.634 6.806 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.862 7.215 -8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.843 9.226 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.062 8.992 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.759 9.390 -9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.223 11.160 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.895 12.743 -7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.608 11.426 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.801 12.891 -9.067 1.00 0.00 H new ATOM 324 N VAL A 20 -3.348 7.006 -3.570 1.00 0.00 N ATOM 325 CA VAL A 20 -3.448 7.653 -2.268 1.00 0.00 C ATOM 326 C VAL A 20 -2.437 8.787 -2.136 1.00 0.00 C ATOM 327 O VAL A 20 -1.230 8.564 -2.200 1.00 0.00 O ATOM 328 CB VAL A 20 -3.220 6.648 -1.124 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.494 7.298 0.224 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.088 5.412 -1.315 1.00 0.00 C ATOM 0 H VAL A 20 -2.470 6.511 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.457 8.058 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.176 6.336 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.327 6.571 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.824 8.147 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.528 7.643 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.912 4.714 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.138 5.703 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.836 4.933 -2.261 1.00 0.00 H new ATOM 340 N ILE A 21 -2.938 10.004 -1.946 1.00 0.00 N ATOM 341 CA ILE A 21 -2.073 11.168 -1.801 1.00 0.00 C ATOM 342 C ILE A 21 -1.960 11.588 -0.341 1.00 0.00 C ATOM 343 O ILE A 21 -2.965 11.705 0.361 1.00 0.00 O ATOM 344 CB ILE A 21 -2.579 12.375 -2.621 1.00 0.00 C ATOM 345 CG1 ILE A 21 -3.192 11.931 -3.958 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.446 13.361 -2.855 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.398 10.872 -4.696 1.00 0.00 C ATOM 0 H ILE A 21 -3.936 10.209 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.095 10.870 -2.180 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.364 12.866 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.196 11.550 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.296 12.804 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.814 14.208 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.067 13.714 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.643 12.869 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.905 10.620 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.401 11.253 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.316 9.980 -4.075 1.00 0.00 H new ATOM 359 N MET A 22 -0.731 11.815 0.113 1.00 0.00 N ATOM 360 CA MET A 22 -0.490 12.223 1.489 1.00 0.00 C ATOM 361 C MET A 22 -0.009 13.666 1.550 1.00 0.00 C ATOM 362 O MET A 22 0.716 14.129 0.670 1.00 0.00 O ATOM 363 CB MET A 22 0.540 11.303 2.148 1.00 0.00 C ATOM 364 CG MET A 22 0.500 9.867 1.644 1.00 0.00 C ATOM 365 SD MET A 22 1.892 9.468 0.568 1.00 0.00 S ATOM 366 CE MET A 22 3.271 9.814 1.657 1.00 0.00 C ATOM 0 H MET A 22 0.112 11.723 -0.454 1.00 0.00 H new ATOM 0 HA MET A 22 -1.432 12.147 2.032 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.537 11.709 1.977 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.376 11.304 3.226 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.498 9.187 2.496 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.431 9.702 1.103 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.805 10.695 1.300 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.901 9.998 2.665 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.948 8.960 1.670 1.00 0.00 H new ATOM 376 N THR A 23 -0.420 14.375 2.594 1.00 0.00 N ATOM 377 CA THR A 23 -0.034 15.771 2.771 1.00 0.00 C ATOM 378 C THR A 23 0.744 15.962 4.069 1.00 0.00 C ATOM 379 O THR A 23 0.252 16.569 5.021 1.00 0.00 O ATOM 380 CB THR A 23 -1.276 16.669 2.759 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.942 16.626 4.009 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.280 16.289 1.693 1.00 0.00 C ATOM 0 H THR A 23 -1.021 14.007 3.332 1.00 0.00 H new ATOM 0 HA THR A 23 0.615 16.053 1.942 1.00 0.00 H new ATOM 0 HB THR A 23 -0.903 17.670 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.400 17.084 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.134 16.965 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.813 16.362 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.617 15.266 1.859 1.00 0.00 H new ATOM 390 N THR A 24 1.966 15.441 4.101 1.00 0.00 N ATOM 391 CA THR A 24 2.814 15.554 5.283 1.00 0.00 C ATOM 392 C THR A 24 4.278 15.716 4.889 1.00 0.00 C ATOM 393 O THR A 24 4.686 15.324 3.795 1.00 0.00 O ATOM 394 CB THR A 24 2.646 14.324 6.176 1.00 0.00 C ATOM 395 OG1 THR A 24 1.369 13.740 5.991 1.00 0.00 O ATOM 396 CG2 THR A 24 2.804 14.630 7.650 1.00 0.00 C ATOM 0 H THR A 24 2.391 14.937 3.323 1.00 0.00 H new ATOM 0 HA THR A 24 2.506 16.441 5.837 1.00 0.00 H new ATOM 0 HB THR A 24 3.439 13.639 5.877 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.733 14.138 6.621 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.673 13.715 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.799 15.035 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.054 15.360 7.952 1.00 0.00 H new ATOM 404 N LYS A 25 5.066 16.296 5.789 1.00 0.00 N ATOM 405 CA LYS A 25 6.487 16.512 5.539 1.00 0.00 C ATOM 406 C LYS A 25 7.334 15.411 6.173 1.00 0.00 C ATOM 407 O LYS A 25 8.509 15.254 5.844 1.00 0.00 O ATOM 408 CB LYS A 25 6.919 17.875 6.076 1.00 0.00 C ATOM 409 CG LYS A 25 6.594 18.081 7.549 1.00 0.00 C ATOM 410 CD LYS A 25 7.831 18.451 8.351 1.00 0.00 C ATOM 411 CE LYS A 25 8.409 17.244 9.071 1.00 0.00 C ATOM 412 NZ LYS A 25 7.962 17.177 10.490 1.00 0.00 N ATOM 0 H LYS A 25 4.744 16.625 6.699 1.00 0.00 H new ATOM 0 HA LYS A 25 6.644 16.485 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.993 17.990 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.433 18.657 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.846 18.867 7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.156 17.170 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.584 18.874 7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.577 19.223 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.108 16.334 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.498 17.287 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.378 16.340 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.271 18.034 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.925 17.110 10.524 1.00 0.00 H new ATOM 426 N ASP A 26 6.734 14.652 7.086 1.00 0.00 N ATOM 427 CA ASP A 26 7.439 13.571 7.764 1.00 0.00 C ATOM 428 C ASP A 26 6.898 12.211 7.332 1.00 0.00 C ATOM 429 O ASP A 26 6.630 11.344 8.164 1.00 0.00 O ATOM 430 CB ASP A 26 7.313 13.732 9.277 1.00 0.00 C ATOM 431 CG ASP A 26 8.459 13.082 10.028 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.807 11.930 9.696 1.00 0.00 O ATOM 433 OD2 ASP A 26 9.008 13.725 10.946 1.00 0.00 O ATOM 0 H ASP A 26 5.762 14.766 7.372 1.00 0.00 H new ATOM 0 HA ASP A 26 8.492 13.622 7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.276 14.793 9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.371 13.295 9.608 1.00 0.00 H new ATOM 438 N THR A 27 6.740 12.032 6.025 1.00 0.00 N ATOM 439 CA THR A 27 6.232 10.777 5.480 1.00 0.00 C ATOM 440 C THR A 27 7.317 9.699 5.460 1.00 0.00 C ATOM 441 O THR A 27 7.050 8.548 5.117 1.00 0.00 O ATOM 442 CB THR A 27 5.690 10.993 4.067 1.00 0.00 C ATOM 443 OG1 THR A 27 6.730 11.373 3.183 1.00 0.00 O ATOM 444 CG2 THR A 27 4.615 12.055 3.994 1.00 0.00 C ATOM 0 H THR A 27 6.956 12.740 5.323 1.00 0.00 H new ATOM 0 HA THR A 27 5.424 10.436 6.128 1.00 0.00 H new ATOM 0 HB THR A 27 5.254 10.037 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.363 11.505 2.284 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.274 12.158 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.775 11.767 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.020 13.007 4.339 1.00 0.00 H new ATOM 452 N SER A 28 8.542 10.076 5.827 1.00 0.00 N ATOM 453 CA SER A 28 9.659 9.136 5.846 1.00 0.00 C ATOM 454 C SER A 28 9.297 7.869 6.617 1.00 0.00 C ATOM 455 O SER A 28 9.752 6.776 6.281 1.00 0.00 O ATOM 456 CB SER A 28 10.893 9.791 6.469 1.00 0.00 C ATOM 457 OG SER A 28 11.540 10.647 5.543 1.00 0.00 O ATOM 0 H SER A 28 8.784 11.024 6.114 1.00 0.00 H new ATOM 0 HA SER A 28 9.883 8.859 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.600 10.360 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.588 9.020 6.803 1.00 0.00 H new ATOM 0 HG SER A 28 12.324 11.054 5.967 1.00 0.00 H new ATOM 463 N THR A 29 8.478 8.025 7.649 1.00 0.00 N ATOM 464 CA THR A 29 8.054 6.892 8.464 1.00 0.00 C ATOM 465 C THR A 29 7.028 6.045 7.719 1.00 0.00 C ATOM 466 O THR A 29 6.954 4.831 7.910 1.00 0.00 O ATOM 467 CB THR A 29 7.461 7.382 9.786 1.00 0.00 C ATOM 468 OG1 THR A 29 7.069 6.286 10.595 1.00 0.00 O ATOM 469 CG2 THR A 29 6.253 8.276 9.606 1.00 0.00 C ATOM 0 H THR A 29 8.094 8.923 7.942 1.00 0.00 H new ATOM 0 HA THR A 29 8.929 6.276 8.672 1.00 0.00 H new ATOM 0 HB THR A 29 8.252 7.961 10.261 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.694 6.619 11.437 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.882 8.588 10.582 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.534 9.156 9.027 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.471 7.729 9.079 1.00 0.00 H new ATOM 477 N LEU A 30 6.240 6.694 6.867 1.00 0.00 N ATOM 478 CA LEU A 30 5.219 6.001 6.092 1.00 0.00 C ATOM 479 C LEU A 30 5.820 5.352 4.850 1.00 0.00 C ATOM 480 O LEU A 30 5.401 4.269 4.442 1.00 0.00 O ATOM 481 CB LEU A 30 4.109 6.972 5.692 1.00 0.00 C ATOM 482 CG LEU A 30 2.984 6.360 4.856 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.364 5.174 5.581 1.00 0.00 C ATOM 484 CD2 LEU A 30 1.926 7.406 4.539 1.00 0.00 C ATOM 0 H LEU A 30 6.290 7.698 6.697 1.00 0.00 H new ATOM 0 HA LEU A 30 4.796 5.214 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.677 7.399 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.552 7.795 5.131 1.00 0.00 H new ATOM 0 HG LEU A 30 3.407 6.004 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.566 4.752 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.127 4.415 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.955 5.505 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.133 6.953 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.506 7.792 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.379 8.223 3.978 1.00 0.00 H new ATOM 496 N LYS A 31 6.801 6.016 4.251 1.00 0.00 N ATOM 497 CA LYS A 31 7.452 5.493 3.055 1.00 0.00 C ATOM 498 C LYS A 31 8.326 4.285 3.391 1.00 0.00 C ATOM 499 O LYS A 31 8.660 3.487 2.513 1.00 0.00 O ATOM 500 CB LYS A 31 8.292 6.583 2.381 1.00 0.00 C ATOM 501 CG LYS A 31 9.614 6.866 3.079 1.00 0.00 C ATOM 502 CD LYS A 31 10.375 7.989 2.394 1.00 0.00 C ATOM 503 CE LYS A 31 11.879 7.778 2.486 1.00 0.00 C ATOM 504 NZ LYS A 31 12.301 7.369 3.854 1.00 0.00 N ATOM 0 H LYS A 31 7.163 6.914 4.572 1.00 0.00 H new ATOM 0 HA LYS A 31 6.674 5.170 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.493 6.288 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.710 7.504 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.428 7.133 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.224 5.963 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.078 8.046 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.111 8.942 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.183 7.015 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.392 8.699 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.312 7.576 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.748 7.896 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.138 6.349 3.977 1.00 0.00 H new ATOM 518 N GLU A 32 8.697 4.158 4.662 1.00 0.00 N ATOM 519 CA GLU A 32 9.535 3.048 5.104 1.00 0.00 C ATOM 520 C GLU A 32 8.686 1.858 5.535 1.00 0.00 C ATOM 521 O GLU A 32 9.100 0.706 5.399 1.00 0.00 O ATOM 522 CB GLU A 32 10.439 3.490 6.256 1.00 0.00 C ATOM 523 CG GLU A 32 9.676 3.929 7.494 1.00 0.00 C ATOM 524 CD GLU A 32 10.584 4.162 8.686 1.00 0.00 C ATOM 525 OE1 GLU A 32 11.785 4.433 8.474 1.00 0.00 O ATOM 526 OE2 GLU A 32 10.094 4.077 9.832 1.00 0.00 O ATOM 0 H GLU A 32 8.431 4.808 5.402 1.00 0.00 H new ATOM 0 HA GLU A 32 10.155 2.739 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.103 2.668 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.069 4.312 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.130 4.846 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.936 3.170 7.748 1.00 0.00 H new ATOM 533 N LEU A 33 7.496 2.141 6.055 1.00 0.00 N ATOM 534 CA LEU A 33 6.594 1.088 6.507 1.00 0.00 C ATOM 535 C LEU A 33 5.834 0.474 5.331 1.00 0.00 C ATOM 536 O LEU A 33 5.338 -0.648 5.422 1.00 0.00 O ATOM 537 CB LEU A 33 5.613 1.635 7.551 1.00 0.00 C ATOM 538 CG LEU A 33 4.429 2.429 6.997 1.00 0.00 C ATOM 539 CD1 LEU A 33 3.321 1.493 6.539 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.906 3.398 8.047 1.00 0.00 C ATOM 0 H LEU A 33 7.135 3.088 6.174 1.00 0.00 H new ATOM 0 HA LEU A 33 7.194 0.304 6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.226 0.798 8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.164 2.274 8.241 1.00 0.00 H new ATOM 0 HG LEU A 33 4.771 3.001 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.488 2.078 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.700 0.835 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.979 0.894 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.063 3.957 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.581 2.841 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.698 4.091 8.329 1.00 0.00 H new ATOM 552 N LEU A 34 5.748 1.214 4.230 1.00 0.00 N ATOM 553 CA LEU A 34 5.049 0.737 3.042 1.00 0.00 C ATOM 554 C LEU A 34 5.963 -0.140 2.189 1.00 0.00 C ATOM 555 O LEU A 34 5.500 -1.051 1.502 1.00 0.00 O ATOM 556 CB LEU A 34 4.539 1.917 2.214 1.00 0.00 C ATOM 557 CG LEU A 34 3.467 2.770 2.898 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.397 4.148 2.260 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.114 2.079 2.830 1.00 0.00 C ATOM 0 H LEU A 34 6.153 2.145 4.136 1.00 0.00 H new ATOM 0 HA LEU A 34 4.199 0.138 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.385 2.557 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.135 1.536 1.276 1.00 0.00 H new ATOM 0 HG LEU A 34 3.738 2.891 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.630 4.741 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.362 4.645 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.149 4.048 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.364 2.699 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.834 1.928 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.173 1.114 3.333 1.00 0.00 H new ATOM 571 N GLU A 35 7.261 0.141 2.240 1.00 0.00 N ATOM 572 CA GLU A 35 8.241 -0.621 1.471 1.00 0.00 C ATOM 573 C GLU A 35 8.649 -1.899 2.200 1.00 0.00 C ATOM 574 O GLU A 35 9.331 -2.753 1.633 1.00 0.00 O ATOM 575 CB GLU A 35 9.478 0.235 1.193 1.00 0.00 C ATOM 576 CG GLU A 35 9.317 1.165 0.001 1.00 0.00 C ATOM 577 CD GLU A 35 10.331 2.294 0.004 1.00 0.00 C ATOM 578 OE1 GLU A 35 10.614 2.835 1.094 1.00 0.00 O ATOM 579 OE2 GLU A 35 10.841 2.637 -1.084 1.00 0.00 O ATOM 0 H GLU A 35 7.660 0.891 2.805 1.00 0.00 H new ATOM 0 HA GLU A 35 7.776 -0.902 0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.706 0.828 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.332 -0.420 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.420 0.591 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.311 1.584 0.005 1.00 0.00 H new ATOM 586 N THR A 36 8.234 -2.030 3.458 1.00 0.00 N ATOM 587 CA THR A 36 8.564 -3.209 4.254 1.00 0.00 C ATOM 588 C THR A 36 8.150 -4.489 3.534 1.00 0.00 C ATOM 589 O THR A 36 8.758 -5.544 3.722 1.00 0.00 O ATOM 590 CB THR A 36 7.880 -3.135 5.621 1.00 0.00 C ATOM 591 OG1 THR A 36 8.293 -4.210 6.446 1.00 0.00 O ATOM 592 CG2 THR A 36 6.369 -3.175 5.540 1.00 0.00 C ATOM 0 H THR A 36 7.670 -1.335 3.947 1.00 0.00 H new ATOM 0 HA THR A 36 9.645 -3.228 4.396 1.00 0.00 H new ATOM 0 HB THR A 36 8.179 -2.175 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.847 -4.145 7.316 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.949 -3.119 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.014 -2.330 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.054 -4.105 5.067 1.00 0.00 H new ATOM 600 N TYR A 37 7.112 -4.389 2.709 1.00 0.00 N ATOM 601 CA TYR A 37 6.617 -5.536 1.958 1.00 0.00 C ATOM 602 C TYR A 37 6.127 -6.637 2.897 1.00 0.00 C ATOM 603 O TYR A 37 6.404 -7.818 2.683 1.00 0.00 O ATOM 604 CB TYR A 37 7.709 -6.083 1.036 1.00 0.00 C ATOM 605 CG TYR A 37 8.064 -5.149 -0.100 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.077 -4.475 -0.806 1.00 0.00 C ATOM 607 CD2 TYR A 37 9.389 -4.945 -0.468 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.397 -3.622 -1.845 1.00 0.00 C ATOM 609 CE2 TYR A 37 9.718 -4.095 -1.506 1.00 0.00 C ATOM 610 CZ TYR A 37 8.719 -3.435 -2.191 1.00 0.00 C ATOM 611 OH TYR A 37 9.043 -2.587 -3.225 1.00 0.00 O ATOM 0 H TYR A 37 6.597 -3.524 2.544 1.00 0.00 H new ATOM 0 HA TYR A 37 5.775 -5.201 1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.604 -6.283 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.380 -7.036 0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.041 -4.620 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.174 -5.459 0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.616 -3.105 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.752 -3.948 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 37 10.016 -2.567 -3.339 1.00 0.00 H new ATOM 621 N GLN A 38 5.397 -6.242 3.935 1.00 0.00 N ATOM 622 CA GLN A 38 4.866 -7.197 4.901 1.00 0.00 C ATOM 623 C GLN A 38 3.958 -8.213 4.213 1.00 0.00 C ATOM 624 O GLN A 38 3.841 -9.357 4.651 1.00 0.00 O ATOM 625 CB GLN A 38 4.092 -6.465 6.001 1.00 0.00 C ATOM 626 CG GLN A 38 4.948 -6.088 7.199 1.00 0.00 C ATOM 627 CD GLN A 38 4.351 -6.551 8.513 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.028 -7.178 9.330 1.00 0.00 O ATOM 629 NE2 GLN A 38 3.075 -6.247 8.724 1.00 0.00 N ATOM 0 H GLN A 38 5.160 -5.269 4.129 1.00 0.00 H new ATOM 0 HA GLN A 38 5.704 -7.729 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.649 -5.561 5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.270 -7.097 6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.941 -6.523 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.075 -5.006 7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.552 -5.726 8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.619 -6.534 9.590 1.00 0.00 H new ATOM 638 N ARG A 39 3.318 -7.782 3.130 1.00 0.00 N ATOM 639 CA ARG A 39 2.422 -8.645 2.371 1.00 0.00 C ATOM 640 C ARG A 39 2.637 -8.453 0.871 1.00 0.00 C ATOM 641 O ARG A 39 3.306 -7.508 0.452 1.00 0.00 O ATOM 642 CB ARG A 39 0.956 -8.362 2.734 1.00 0.00 C ATOM 643 CG ARG A 39 0.741 -7.051 3.478 1.00 0.00 C ATOM 644 CD ARG A 39 -0.724 -6.643 3.475 1.00 0.00 C ATOM 645 NE ARG A 39 -1.325 -6.749 4.803 1.00 0.00 N ATOM 646 CZ ARG A 39 -2.635 -6.831 5.021 1.00 0.00 C ATOM 647 NH1 ARG A 39 -3.487 -6.814 4.004 1.00 0.00 N ATOM 648 NH2 ARG A 39 -3.096 -6.929 6.260 1.00 0.00 N ATOM 0 H ARG A 39 3.405 -6.836 2.758 1.00 0.00 H new ATOM 0 HA ARG A 39 2.650 -9.679 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.363 -8.350 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.580 -9.181 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.089 -7.153 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.339 -6.266 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.814 -5.617 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.274 -7.273 2.777 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.703 -6.761 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.139 -6.738 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.490 -6.877 4.178 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.446 -6.942 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.100 -6.992 6.427 1.00 0.00 H new ATOM 662 N PRO A 40 2.079 -9.351 0.041 1.00 0.00 N ATOM 663 CA PRO A 40 2.222 -9.273 -1.417 1.00 0.00 C ATOM 664 C PRO A 40 1.561 -8.029 -2.005 1.00 0.00 C ATOM 665 O PRO A 40 0.534 -8.117 -2.678 1.00 0.00 O ATOM 666 CB PRO A 40 1.520 -10.540 -1.920 1.00 0.00 C ATOM 667 CG PRO A 40 0.597 -10.932 -0.818 1.00 0.00 C ATOM 668 CD PRO A 40 1.272 -10.512 0.455 1.00 0.00 C ATOM 0 HA PRO A 40 3.269 -9.205 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.973 -10.348 -2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.239 -11.331 -2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.371 -10.442 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.413 -12.006 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.548 -10.245 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.893 -11.309 0.863 1.00 0.00 H new ATOM 676 N PHE A 41 2.160 -6.869 -1.749 1.00 0.00 N ATOM 677 CA PHE A 41 1.634 -5.608 -2.255 1.00 0.00 C ATOM 678 C PHE A 41 2.766 -4.695 -2.719 1.00 0.00 C ATOM 679 O PHE A 41 3.885 -4.769 -2.209 1.00 0.00 O ATOM 680 CB PHE A 41 0.793 -4.908 -1.181 1.00 0.00 C ATOM 681 CG PHE A 41 1.606 -4.250 -0.101 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.021 -4.970 1.007 1.00 0.00 C ATOM 683 CD2 PHE A 41 1.954 -2.912 -0.195 1.00 0.00 C ATOM 684 CE1 PHE A 41 2.768 -4.368 2.002 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.700 -2.304 0.797 1.00 0.00 C ATOM 686 CZ PHE A 41 3.109 -3.033 1.896 1.00 0.00 C ATOM 0 H PHE A 41 3.011 -6.778 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 41 0.996 -5.826 -3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.165 -4.156 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.124 -5.638 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.758 -6.014 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.639 -2.338 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.085 -4.940 2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.963 -1.260 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.694 -2.561 2.671 1.00 0.00 H new ATOM 696 N LYS A 42 2.470 -3.833 -3.686 1.00 0.00 N ATOM 697 CA LYS A 42 3.464 -2.905 -4.214 1.00 0.00 C ATOM 698 C LYS A 42 2.926 -1.480 -4.214 1.00 0.00 C ATOM 699 O LYS A 42 1.728 -1.258 -4.042 1.00 0.00 O ATOM 700 CB LYS A 42 3.867 -3.311 -5.634 1.00 0.00 C ATOM 701 CG LYS A 42 4.192 -4.790 -5.775 1.00 0.00 C ATOM 702 CD LYS A 42 3.599 -5.371 -7.050 1.00 0.00 C ATOM 703 CE LYS A 42 4.636 -5.460 -8.157 1.00 0.00 C ATOM 704 NZ LYS A 42 4.069 -5.084 -9.482 1.00 0.00 N ATOM 0 H LYS A 42 1.550 -3.758 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 42 4.342 -2.944 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.057 -3.059 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.735 -2.726 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.273 -4.927 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.805 -5.333 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.197 -6.363 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.765 -4.751 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.475 -4.805 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.029 -6.476 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.808 -5.158 -10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.285 -5.725 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.717 -4.106 -9.444 1.00 0.00 H new ATOM 718 N LEU A 43 3.819 -0.514 -4.408 1.00 0.00 N ATOM 719 CA LEU A 43 3.427 0.890 -4.429 1.00 0.00 C ATOM 720 C LEU A 43 4.183 1.648 -5.516 1.00 0.00 C ATOM 721 O LEU A 43 5.413 1.653 -5.540 1.00 0.00 O ATOM 722 CB LEU A 43 3.685 1.537 -3.068 1.00 0.00 C ATOM 723 CG LEU A 43 2.491 1.528 -2.110 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.725 0.543 -0.974 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.232 2.923 -1.561 1.00 0.00 C ATOM 0 H LEU A 43 4.815 -0.678 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 43 2.360 0.939 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.519 1.022 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.996 2.569 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 43 1.609 1.210 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.866 0.550 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.858 -0.459 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.619 0.831 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.379 2.894 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.113 3.271 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.018 3.604 -2.385 1.00 0.00 H new ATOM 737 N GLU A 44 3.439 2.291 -6.409 1.00 0.00 N ATOM 738 CA GLU A 44 4.045 3.057 -7.491 1.00 0.00 C ATOM 739 C GLU A 44 4.119 4.533 -7.119 1.00 0.00 C ATOM 740 O GLU A 44 3.167 5.285 -7.321 1.00 0.00 O ATOM 741 CB GLU A 44 3.252 2.882 -8.791 1.00 0.00 C ATOM 742 CG GLU A 44 2.626 1.505 -8.947 1.00 0.00 C ATOM 743 CD GLU A 44 3.653 0.424 -9.217 1.00 0.00 C ATOM 744 OE1 GLU A 44 4.006 0.223 -10.399 1.00 0.00 O ATOM 745 OE2 GLU A 44 4.106 -0.221 -8.248 1.00 0.00 O ATOM 0 H GLU A 44 2.419 2.297 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 44 5.056 2.681 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.465 3.635 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.913 3.068 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.073 1.257 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.905 1.528 -9.764 1.00 0.00 H new ATOM 752 N PHE A 45 5.258 4.938 -6.565 1.00 0.00 N ATOM 753 CA PHE A 45 5.459 6.323 -6.154 1.00 0.00 C ATOM 754 C PHE A 45 5.316 7.270 -7.342 1.00 0.00 C ATOM 755 O PHE A 45 6.087 7.200 -8.301 1.00 0.00 O ATOM 756 CB PHE A 45 6.839 6.495 -5.513 1.00 0.00 C ATOM 757 CG PHE A 45 7.220 5.377 -4.583 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.284 4.818 -3.728 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.516 4.886 -4.567 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.634 3.789 -2.873 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.871 3.858 -3.715 1.00 0.00 C ATOM 762 CZ PHE A 45 7.930 3.308 -2.868 1.00 0.00 C ATOM 0 H PHE A 45 6.056 4.327 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 45 4.693 6.571 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.588 6.571 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.859 7.436 -4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.270 5.190 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.257 5.312 -5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.896 3.362 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.884 3.485 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.206 2.503 -2.203 1.00 0.00 H new ATOM 772 N LYS A 46 4.328 8.153 -7.267 1.00 0.00 N ATOM 773 CA LYS A 46 4.080 9.117 -8.333 1.00 0.00 C ATOM 774 C LYS A 46 5.077 10.268 -8.266 1.00 0.00 C ATOM 775 O LYS A 46 5.505 10.793 -9.296 1.00 0.00 O ATOM 776 CB LYS A 46 2.652 9.657 -8.235 1.00 0.00 C ATOM 777 CG LYS A 46 1.590 8.656 -8.664 1.00 0.00 C ATOM 778 CD LYS A 46 1.670 8.361 -10.154 1.00 0.00 C ATOM 779 CE LYS A 46 0.599 9.110 -10.931 1.00 0.00 C ATOM 780 NZ LYS A 46 1.189 10.041 -11.932 1.00 0.00 N ATOM 0 H LYS A 46 3.685 8.222 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 46 4.204 8.608 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.458 9.961 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.567 10.551 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.713 7.730 -8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.602 9.047 -8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.655 8.641 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.558 7.289 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.049 8.395 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.027 9.672 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.427 10.532 -12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.787 10.739 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.766 9.502 -12.609 1.00 0.00 H new ATOM 794 N ASN A 47 5.444 10.658 -7.049 1.00 0.00 N ATOM 795 CA ASN A 47 6.392 11.747 -6.846 1.00 0.00 C ATOM 796 C ASN A 47 7.563 11.296 -5.981 1.00 0.00 C ATOM 797 O ASN A 47 7.398 10.475 -5.078 1.00 0.00 O ATOM 798 CB ASN A 47 5.694 12.944 -6.197 1.00 0.00 C ATOM 799 CG ASN A 47 4.616 13.537 -7.083 1.00 0.00 C ATOM 800 OD1 ASN A 47 4.514 13.202 -8.263 1.00 0.00 O ATOM 801 ND2 ASN A 47 3.806 14.423 -6.518 1.00 0.00 N ATOM 0 H ASN A 47 5.098 10.235 -6.188 1.00 0.00 H new ATOM 0 HA ASN A 47 6.779 12.045 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.252 12.633 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.434 13.711 -5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.062 14.856 -7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.927 14.671 -5.536 1.00 0.00 H new ATOM 808 N THR A 48 8.745 11.834 -6.262 1.00 0.00 N ATOM 809 CA THR A 48 9.943 11.487 -5.508 1.00 0.00 C ATOM 810 C THR A 48 10.635 12.736 -4.975 1.00 0.00 C ATOM 811 O THR A 48 11.400 13.387 -5.688 1.00 0.00 O ATOM 812 CB THR A 48 10.910 10.690 -6.387 1.00 0.00 C ATOM 813 OG1 THR A 48 11.247 11.423 -7.551 1.00 0.00 O ATOM 814 CG2 THR A 48 10.353 9.354 -6.830 1.00 0.00 C ATOM 0 H THR A 48 8.899 12.513 -7.008 1.00 0.00 H new ATOM 0 HA THR A 48 9.641 10.873 -4.659 1.00 0.00 H new ATOM 0 HB THR A 48 11.787 10.511 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.400 12.361 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.088 8.841 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.128 8.745 -5.954 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.441 9.513 -7.406 1.00 0.00 H new ATOM 822 N SER A 49 10.361 13.068 -3.717 1.00 0.00 N ATOM 823 CA SER A 49 10.957 14.239 -3.087 1.00 0.00 C ATOM 824 C SER A 49 10.569 15.514 -3.829 1.00 0.00 C ATOM 825 O SER A 49 11.350 16.461 -3.909 1.00 0.00 O ATOM 826 CB SER A 49 12.481 14.104 -3.047 1.00 0.00 C ATOM 827 OG SER A 49 12.869 12.745 -2.941 1.00 0.00 O ATOM 0 H SER A 49 9.729 12.541 -3.114 1.00 0.00 H new ATOM 0 HA SER A 49 10.577 14.303 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.912 14.539 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.877 14.666 -2.201 1.00 0.00 H new ATOM 0 HG SER A 49 13.847 12.685 -2.919 1.00 0.00 H new ATOM 833 N LYS A 50 9.355 15.531 -4.371 1.00 0.00 N ATOM 834 CA LYS A 50 8.862 16.691 -5.106 1.00 0.00 C ATOM 835 C LYS A 50 8.624 17.868 -4.165 1.00 0.00 C ATOM 836 O LYS A 50 8.987 19.003 -4.470 1.00 0.00 O ATOM 837 CB LYS A 50 7.570 16.342 -5.844 1.00 0.00 C ATOM 838 CG LYS A 50 7.329 17.192 -7.082 1.00 0.00 C ATOM 839 CD LYS A 50 6.268 18.253 -6.835 1.00 0.00 C ATOM 840 CE LYS A 50 6.203 19.253 -7.978 1.00 0.00 C ATOM 841 NZ LYS A 50 5.633 18.647 -9.214 1.00 0.00 N ATOM 0 H LYS A 50 8.695 14.755 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 50 9.620 16.979 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.599 15.292 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.728 16.461 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.261 17.671 -7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.019 16.552 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.296 17.775 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.485 18.777 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.596 20.107 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.204 19.631 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.606 19.361 -9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.227 17.848 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.668 18.309 -9.022 1.00 0.00 H new ATOM 855 N ASN A 51 8.010 17.587 -3.020 1.00 0.00 N ATOM 856 CA ASN A 51 7.723 18.621 -2.032 1.00 0.00 C ATOM 857 C ASN A 51 6.798 19.688 -2.611 1.00 0.00 C ATOM 858 O ASN A 51 7.256 20.679 -3.179 1.00 0.00 O ATOM 859 CB ASN A 51 9.025 19.264 -1.544 1.00 0.00 C ATOM 860 CG ASN A 51 9.281 19.006 -0.072 1.00 0.00 C ATOM 861 OD1 ASN A 51 10.334 18.491 0.305 1.00 0.00 O ATOM 862 ND2 ASN A 51 8.316 19.361 0.768 1.00 0.00 N ATOM 0 H ASN A 51 7.702 16.652 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 51 7.219 18.152 -1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.860 18.877 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.984 20.339 -1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.431 19.210 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.460 19.785 0.411 1.00 0.00 H new ATOM 869 N ALA A 52 5.494 19.478 -2.460 1.00 0.00 N ATOM 870 CA ALA A 52 4.505 20.421 -2.965 1.00 0.00 C ATOM 871 C ALA A 52 3.233 20.393 -2.120 1.00 0.00 C ATOM 872 O ALA A 52 2.158 20.764 -2.590 1.00 0.00 O ATOM 873 CB ALA A 52 4.183 20.117 -4.422 1.00 0.00 C ATOM 0 H ALA A 52 5.099 18.663 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 52 4.928 21.423 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.443 20.829 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.091 20.199 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.785 19.106 -4.503 1.00 0.00 H new ATOM 879 N LYS A 53 3.365 19.946 -0.869 1.00 0.00 N ATOM 880 CA LYS A 53 2.231 19.864 0.052 1.00 0.00 C ATOM 881 C LYS A 53 1.346 18.650 -0.244 1.00 0.00 C ATOM 882 O LYS A 53 0.448 18.330 0.535 1.00 0.00 O ATOM 883 CB LYS A 53 1.395 21.148 -0.001 1.00 0.00 C ATOM 884 CG LYS A 53 1.229 21.824 1.352 1.00 0.00 C ATOM 885 CD LYS A 53 0.538 20.910 2.351 1.00 0.00 C ATOM 886 CE LYS A 53 1.005 21.184 3.771 1.00 0.00 C ATOM 887 NZ LYS A 53 0.068 22.085 4.499 1.00 0.00 N ATOM 0 H LYS A 53 4.250 19.634 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 53 2.639 19.746 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.864 21.848 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.410 20.914 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.207 22.113 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.649 22.740 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.541 21.050 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.740 19.870 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.096 20.242 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.997 21.635 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.422 22.248 5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.000 22.994 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.873 21.644 4.545 1.00 0.00 H new ATOM 901 N PHE A 54 1.598 17.977 -1.364 1.00 0.00 N ATOM 902 CA PHE A 54 0.816 16.805 -1.741 1.00 0.00 C ATOM 903 C PHE A 54 1.709 15.726 -2.336 1.00 0.00 C ATOM 904 O PHE A 54 2.338 15.927 -3.374 1.00 0.00 O ATOM 905 CB PHE A 54 -0.274 17.189 -2.742 1.00 0.00 C ATOM 906 CG PHE A 54 -0.995 18.459 -2.388 1.00 0.00 C ATOM 907 CD1 PHE A 54 -2.074 18.439 -1.518 1.00 0.00 C ATOM 908 CD2 PHE A 54 -0.595 19.671 -2.925 1.00 0.00 C ATOM 909 CE1 PHE A 54 -2.740 19.604 -1.190 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.257 20.841 -2.600 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.331 20.807 -1.733 1.00 0.00 C ATOM 0 H PHE A 54 2.336 18.223 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 54 0.347 16.409 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.174 17.298 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.998 16.376 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.398 17.501 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.243 19.703 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.579 19.575 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.934 21.780 -3.024 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.851 21.719 -1.480 1.00 0.00 H new ATOM 921 N TYR A 55 1.753 14.575 -1.674 1.00 0.00 N ATOM 922 CA TYR A 55 2.565 13.461 -2.141 1.00 0.00 C ATOM 923 C TYR A 55 1.680 12.338 -2.669 1.00 0.00 C ATOM 924 O TYR A 55 1.000 11.656 -1.904 1.00 0.00 O ATOM 925 CB TYR A 55 3.452 12.938 -1.010 1.00 0.00 C ATOM 926 CG TYR A 55 4.549 13.897 -0.608 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.248 15.131 -0.043 1.00 0.00 C ATOM 928 CD2 TYR A 55 5.887 13.569 -0.794 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.249 16.010 0.326 1.00 0.00 C ATOM 930 CE2 TYR A 55 6.893 14.443 -0.427 1.00 0.00 C ATOM 931 CZ TYR A 55 6.568 15.661 0.132 1.00 0.00 C ATOM 932 OH TYR A 55 7.568 16.533 0.497 1.00 0.00 O ATOM 0 H TYR A 55 1.236 14.391 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 55 3.200 13.817 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.830 12.726 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.901 11.994 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.215 15.407 0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.145 12.616 -1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.999 16.965 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.928 14.173 -0.577 1.00 0.00 H new ATOM 0 HH TYR A 55 8.440 16.134 0.294 1.00 0.00 H new ATOM 942 N SER A 56 1.699 12.155 -3.983 1.00 0.00 N ATOM 943 CA SER A 56 0.901 11.118 -4.624 1.00 0.00 C ATOM 944 C SER A 56 1.594 9.761 -4.544 1.00 0.00 C ATOM 945 O SER A 56 2.782 9.639 -4.845 1.00 0.00 O ATOM 946 CB SER A 56 0.637 11.483 -6.086 1.00 0.00 C ATOM 947 OG SER A 56 -0.112 12.682 -6.187 1.00 0.00 O ATOM 0 H SER A 56 2.260 12.713 -4.627 1.00 0.00 H new ATOM 0 HA SER A 56 -0.049 11.048 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.585 11.598 -6.612 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.097 10.672 -6.575 1.00 0.00 H new ATOM 0 HG SER A 56 -0.265 12.893 -7.132 1.00 0.00 H new ATOM 953 N PHE A 57 0.842 8.743 -4.139 1.00 0.00 N ATOM 954 CA PHE A 57 1.380 7.392 -4.023 1.00 0.00 C ATOM 955 C PHE A 57 0.363 6.362 -4.505 1.00 0.00 C ATOM 956 O PHE A 57 -0.837 6.506 -4.275 1.00 0.00 O ATOM 957 CB PHE A 57 1.773 7.101 -2.574 1.00 0.00 C ATOM 958 CG PHE A 57 3.166 7.544 -2.230 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.472 8.892 -2.126 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.168 6.613 -2.013 1.00 0.00 C ATOM 961 CE1 PHE A 57 4.752 9.303 -1.809 1.00 0.00 C ATOM 962 CE2 PHE A 57 5.452 7.019 -1.696 1.00 0.00 C ATOM 963 CZ PHE A 57 5.744 8.366 -1.595 1.00 0.00 C ATOM 0 H PHE A 57 -0.142 8.828 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 57 2.267 7.323 -4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.068 7.598 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.685 6.030 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.701 9.629 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.945 5.559 -2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.977 10.356 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.225 6.284 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.746 8.685 -1.349 1.00 0.00 H new ATOM 973 N ASN A 58 0.851 5.323 -5.175 1.00 0.00 N ATOM 974 CA ASN A 58 -0.019 4.271 -5.688 1.00 0.00 C ATOM 975 C ASN A 58 0.158 2.982 -4.891 1.00 0.00 C ATOM 976 O ASN A 58 1.185 2.778 -4.245 1.00 0.00 O ATOM 977 CB ASN A 58 0.276 4.014 -7.167 1.00 0.00 C ATOM 978 CG ASN A 58 -0.276 5.104 -8.063 1.00 0.00 C ATOM 979 OD1 ASN A 58 0.026 6.284 -7.885 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.091 4.713 -9.037 1.00 0.00 N ATOM 0 H ASN A 58 1.842 5.187 -5.375 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.052 4.603 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.354 3.939 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.153 3.055 -7.459 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.493 5.402 -9.673 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.315 3.724 -9.149 1.00 0.00 H new ATOM 987 N VAL A 59 -0.850 2.117 -4.942 1.00 0.00 N ATOM 988 CA VAL A 59 -0.802 0.850 -4.223 1.00 0.00 C ATOM 989 C VAL A 59 -1.323 -0.296 -5.083 1.00 0.00 C ATOM 990 O VAL A 59 -2.519 -0.384 -5.361 1.00 0.00 O ATOM 991 CB VAL A 59 -1.625 0.909 -2.921 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.289 -0.272 -2.022 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.389 2.225 -2.194 1.00 0.00 C ATOM 0 H VAL A 59 -1.708 2.270 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 59 0.245 0.670 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.682 0.850 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.880 -0.213 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.518 -1.202 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.229 -0.248 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.979 2.246 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.332 2.319 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.687 3.054 -2.836 1.00 0.00 H new ATOM 1003 N SER A 60 -0.417 -1.176 -5.494 1.00 0.00 N ATOM 1004 CA SER A 60 -0.781 -2.323 -6.316 1.00 0.00 C ATOM 1005 C SER A 60 -0.890 -3.580 -5.458 1.00 0.00 C ATOM 1006 O SER A 60 0.118 -4.128 -5.013 1.00 0.00 O ATOM 1007 CB SER A 60 0.252 -2.535 -7.425 1.00 0.00 C ATOM 1008 OG SER A 60 -0.364 -2.978 -8.620 1.00 0.00 O ATOM 0 H SER A 60 0.576 -1.116 -5.271 1.00 0.00 H new ATOM 0 HA SER A 60 -1.751 -2.124 -6.772 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.786 -1.603 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.992 -3.267 -7.101 1.00 0.00 H new ATOM 0 HG SER A 60 0.318 -3.104 -9.312 1.00 0.00 H new ATOM 1014 N MET A 61 -2.119 -4.028 -5.225 1.00 0.00 N ATOM 1015 CA MET A 61 -2.355 -5.216 -4.413 1.00 0.00 C ATOM 1016 C MET A 61 -3.385 -6.129 -5.067 1.00 0.00 C ATOM 1017 O MET A 61 -4.277 -5.668 -5.778 1.00 0.00 O ATOM 1018 CB MET A 61 -2.830 -4.811 -3.015 1.00 0.00 C ATOM 1019 CG MET A 61 -3.100 -5.991 -2.096 1.00 0.00 C ATOM 1020 SD MET A 61 -2.583 -5.683 -0.398 1.00 0.00 S ATOM 1021 CE MET A 61 -3.891 -6.503 0.510 1.00 0.00 C ATOM 0 H MET A 61 -2.965 -3.588 -5.586 1.00 0.00 H new ATOM 0 HA MET A 61 -1.416 -5.763 -4.330 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.077 -4.170 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.740 -4.218 -3.108 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.165 -6.221 -2.111 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.579 -6.869 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.164 -5.902 1.377 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.761 -6.625 -0.135 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.545 -7.482 0.842 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.255 -7.429 -4.821 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.174 -8.409 -5.386 1.00 0.00 C ATOM 1033 C GLU A 62 -5.470 -8.460 -4.587 1.00 0.00 C ATOM 1034 O GLU A 62 -5.537 -9.091 -3.532 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.522 -9.793 -5.414 1.00 0.00 C ATOM 1036 CG GLU A 62 -4.147 -10.740 -6.426 1.00 0.00 C ATOM 1037 CD GLU A 62 -3.769 -12.187 -6.181 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -4.449 -12.849 -5.369 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -2.793 -12.660 -6.801 1.00 0.00 O ATOM 0 H GLU A 62 -2.522 -7.827 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.409 -8.106 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.462 -9.681 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.591 -10.238 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.232 -10.641 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.834 -10.452 -7.429 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.499 -7.793 -5.099 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.797 -7.765 -4.436 1.00 0.00 C ATOM 1048 C VAL A 63 -8.590 -9.030 -4.744 1.00 0.00 C ATOM 1049 O VAL A 63 -8.504 -9.573 -5.844 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.619 -6.535 -4.869 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.947 -6.487 -4.129 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.826 -5.258 -4.637 1.00 0.00 C ATOM 0 H VAL A 63 -6.459 -7.265 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.611 -7.707 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.829 -6.620 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.511 -5.611 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.519 -7.388 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.764 -6.428 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.421 -4.399 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.584 -5.167 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.905 -5.291 -5.218 1.00 0.00 H new ATOM 1062 N SER A 64 -9.360 -9.492 -3.763 1.00 0.00 N ATOM 1063 CA SER A 64 -10.170 -10.694 -3.927 1.00 0.00 C ATOM 1064 C SER A 64 -11.658 -10.362 -3.864 1.00 0.00 C ATOM 1065 O SER A 64 -12.479 -11.027 -4.495 1.00 0.00 O ATOM 1066 CB SER A 64 -9.818 -11.718 -2.847 1.00 0.00 C ATOM 1067 OG SER A 64 -10.482 -12.951 -3.077 1.00 0.00 O ATOM 0 H SER A 64 -9.440 -9.052 -2.846 1.00 0.00 H new ATOM 0 HA SER A 64 -9.954 -11.118 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.740 -11.879 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.096 -11.329 -1.868 1.00 0.00 H new ATOM 0 HG SER A 64 -10.239 -13.589 -2.374 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.999 -9.331 -3.095 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.388 -8.914 -2.948 1.00 0.00 C ATOM 1075 C ASN A 65 -13.495 -7.667 -2.072 1.00 0.00 C ATOM 1076 O ASN A 65 -12.486 -7.051 -1.729 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.221 -10.050 -2.346 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.855 -10.346 -0.904 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.669 -10.176 0.003 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.622 -10.795 -0.682 1.00 0.00 N ATOM 0 H ASN A 65 -11.332 -8.770 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.776 -8.672 -3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.278 -9.789 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.084 -10.951 -2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.322 -11.012 0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.977 -10.922 -1.462 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.722 -7.302 -1.717 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.961 -6.130 -0.882 1.00 0.00 C ATOM 1089 C GLU A 66 -14.229 -6.249 0.451 1.00 0.00 C ATOM 1090 O GLU A 66 -13.822 -5.247 1.038 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.460 -5.949 -0.636 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.129 -7.166 -0.019 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.622 -7.205 -0.277 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -19.199 -6.140 -0.579 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -19.214 -8.301 -0.177 1.00 0.00 O ATOM 0 H GLU A 66 -15.567 -7.801 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.577 -5.258 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.611 -5.091 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.949 -5.717 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.671 -8.070 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.950 -7.168 1.056 1.00 0.00 H new ATOM 1102 N SER A 67 -14.064 -7.481 0.924 1.00 0.00 N ATOM 1103 CA SER A 67 -13.381 -7.729 2.189 1.00 0.00 C ATOM 1104 C SER A 67 -11.963 -7.167 2.160 1.00 0.00 C ATOM 1105 O SER A 67 -11.566 -6.410 3.048 1.00 0.00 O ATOM 1106 CB SER A 67 -13.343 -9.228 2.488 1.00 0.00 C ATOM 1107 OG SER A 67 -14.586 -9.677 3.003 1.00 0.00 O ATOM 0 H SER A 67 -14.394 -8.322 0.451 1.00 0.00 H new ATOM 0 HA SER A 67 -13.937 -7.224 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.103 -9.778 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.551 -9.439 3.206 1.00 0.00 H new ATOM 0 HG SER A 67 -15.144 -10.008 2.269 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.202 -7.540 1.136 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.830 -7.064 1.001 1.00 0.00 C ATOM 1115 C GLU A 68 -9.809 -5.556 0.790 1.00 0.00 C ATOM 1116 O GLU A 68 -9.123 -4.832 1.509 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.116 -7.759 -0.165 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.551 -9.200 -0.394 1.00 0.00 C ATOM 1119 CD GLU A 68 -9.564 -10.017 0.884 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -8.685 -9.792 1.743 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -10.454 -10.884 1.026 1.00 0.00 O ATOM 0 H GLU A 68 -11.510 -8.166 0.392 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.302 -7.305 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.293 -7.189 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.042 -7.740 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.547 -9.209 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.879 -9.668 -1.113 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.569 -5.091 -0.199 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.645 -3.664 -0.516 1.00 0.00 C ATOM 1130 C ARG A 69 -10.747 -2.816 0.749 1.00 0.00 C ATOM 1131 O ARG A 69 -10.128 -1.757 0.850 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.844 -3.386 -1.425 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.710 -2.103 -2.228 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.992 -1.780 -2.981 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.204 -0.342 -3.108 1.00 0.00 N ATOM 1136 CZ ARG A 69 -14.012 0.213 -4.009 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -14.687 -0.546 -4.862 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -14.144 1.532 -4.056 1.00 0.00 N ATOM 0 H ARG A 69 -11.144 -5.684 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.726 -3.391 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.972 -4.223 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.747 -3.332 -0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.462 -1.278 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.886 -2.199 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.953 -2.230 -3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.840 -2.227 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.703 0.275 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.589 -1.561 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.304 -0.115 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.627 2.120 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.763 1.958 -4.746 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.527 -3.291 1.714 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.703 -2.577 2.973 1.00 0.00 C ATOM 1154 C ASN A 70 -10.419 -2.612 3.793 1.00 0.00 C ATOM 1155 O ASN A 70 -10.094 -1.656 4.499 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.854 -3.188 3.776 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.667 -2.139 4.508 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -13.887 -2.240 5.716 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.118 -1.123 3.781 1.00 0.00 N ATOM 0 H ASN A 70 -12.047 -4.166 1.649 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.944 -1.538 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.506 -3.746 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.453 -3.901 4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.670 -0.387 4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.912 -1.079 2.783 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.689 -3.718 3.690 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.437 -3.879 4.415 1.00 0.00 C ATOM 1168 C GLU A 71 -7.306 -3.125 3.722 1.00 0.00 C ATOM 1169 O GLU A 71 -6.451 -2.532 4.378 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.080 -5.363 4.532 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.450 -5.733 5.864 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.873 -7.108 6.346 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -9.093 -7.372 6.393 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -6.985 -7.921 6.676 1.00 0.00 O ATOM 0 H GLU A 71 -9.945 -4.517 3.110 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.568 -3.463 5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.982 -5.958 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.393 -5.627 3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.365 -5.703 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.726 -4.989 6.611 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.309 -3.154 2.392 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.282 -2.470 1.612 1.00 0.00 C ATOM 1183 C ILE A 72 -6.373 -0.956 1.786 1.00 0.00 C ATOM 1184 O ILE A 72 -5.377 -0.247 1.650 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.389 -2.803 0.109 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.607 -4.307 -0.095 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.139 -2.334 -0.624 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.345 -4.779 -1.512 1.00 0.00 C ATOM 0 H ILE A 72 -8.009 -3.642 1.833 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.322 -2.824 1.988 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.249 -2.277 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.955 -4.854 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.633 -4.556 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.227 -2.575 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.030 -1.256 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.264 -2.835 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.521 -5.853 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.015 -4.260 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.311 -4.564 -1.782 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.574 -0.468 2.083 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.791 0.964 2.270 1.00 0.00 C ATOM 1202 C PHE A 73 -7.444 1.395 3.692 1.00 0.00 C ATOM 1203 O PHE A 73 -6.748 2.389 3.896 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.244 1.324 1.954 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.387 2.552 1.102 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.872 2.584 -0.185 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.036 3.676 1.588 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.002 3.714 -0.969 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.170 4.809 0.806 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.652 4.827 -0.474 1.00 0.00 C ATOM 0 H PHE A 73 -8.410 -1.041 2.199 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.132 1.496 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.716 0.483 1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.784 1.476 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.364 1.716 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.442 3.667 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.595 3.727 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.679 5.678 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.755 5.710 -1.087 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.936 0.643 4.672 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.680 0.953 6.074 1.00 0.00 C ATOM 1222 C GLN A 74 -6.213 0.722 6.432 1.00 0.00 C ATOM 1223 O GLN A 74 -5.682 1.353 7.344 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.577 0.107 6.979 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.268 -1.381 6.928 1.00 0.00 C ATOM 1226 CD GLN A 74 -7.996 -1.969 8.298 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -8.920 -2.320 9.030 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -6.720 -2.079 8.652 1.00 0.00 N ATOM 0 H GLN A 74 -8.513 -0.184 4.521 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.908 2.007 6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.473 0.456 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.617 0.263 6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.107 -1.907 6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.402 -1.546 6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.985 -1.775 8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.475 -2.467 9.563 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.565 -0.187 5.710 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.162 -0.500 5.958 1.00 0.00 C ATOM 1239 C LYS A 75 -3.251 0.584 5.391 1.00 0.00 C ATOM 1240 O LYS A 75 -2.288 0.998 6.037 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.803 -1.856 5.347 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.220 -3.040 6.203 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.301 -3.210 7.402 1.00 0.00 C ATOM 1244 CE LYS A 75 -4.007 -3.910 8.552 1.00 0.00 C ATOM 1245 NZ LYS A 75 -3.623 -3.337 9.872 1.00 0.00 N ATOM 0 H LYS A 75 -5.988 -0.719 4.950 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.013 -0.545 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.277 -1.941 4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.726 -1.898 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.245 -2.900 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.207 -3.949 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.422 -3.785 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.947 -2.233 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.086 -3.826 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.765 -4.973 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.126 -3.842 10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.597 -3.439 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.877 -2.329 9.900 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.558 1.041 4.183 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.763 2.076 3.536 1.00 0.00 C ATOM 1261 C ILE A 76 -2.916 3.412 4.255 1.00 0.00 C ATOM 1262 O ILE A 76 -1.970 4.195 4.342 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.154 2.246 2.054 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.213 3.235 1.364 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.598 2.705 1.929 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.859 2.649 1.032 1.00 0.00 C ATOM 0 H ILE A 76 -4.351 0.711 3.633 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.722 1.757 3.588 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.060 1.279 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.681 3.590 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.076 4.104 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.854 2.819 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.256 1.965 2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.721 3.661 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.244 3.406 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.370 2.320 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.985 1.798 0.363 1.00 0.00 H new ATOM 1278 N SER A 77 -4.115 3.664 4.771 1.00 0.00 N ATOM 1279 CA SER A 77 -4.392 4.903 5.486 1.00 0.00 C ATOM 1280 C SER A 77 -4.327 4.685 6.995 1.00 0.00 C ATOM 1281 O SER A 77 -4.978 5.394 7.762 1.00 0.00 O ATOM 1282 CB SER A 77 -5.768 5.446 5.096 1.00 0.00 C ATOM 1283 OG SER A 77 -6.010 6.705 5.698 1.00 0.00 O ATOM 0 H SER A 77 -4.909 3.027 4.707 1.00 0.00 H new ATOM 0 HA SER A 77 -3.631 5.632 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.831 5.540 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.540 4.740 5.400 1.00 0.00 H new ATOM 0 HG SER A 77 -5.715 6.683 6.632 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.538 3.699 7.412 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.390 3.388 8.829 1.00 0.00 C ATOM 1291 C GLN A 78 -2.677 4.520 9.563 1.00 0.00 C ATOM 1292 O GLN A 78 -2.933 4.768 10.740 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.617 2.081 9.008 1.00 0.00 C ATOM 1294 CG GLN A 78 -2.997 1.317 10.267 1.00 0.00 C ATOM 1295 CD GLN A 78 -1.797 0.704 10.962 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -0.657 1.097 10.720 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -2.050 -0.268 11.832 1.00 0.00 N ATOM 0 H GLN A 78 -2.992 3.103 6.790 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.386 3.273 9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.790 1.444 8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.550 2.300 9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.506 1.990 10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.705 0.529 10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.012 -0.563 12.002 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.283 -0.719 12.330 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.779 5.201 8.858 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.027 6.306 9.441 1.00 0.00 C ATOM 1308 C LEU A 79 -1.840 7.596 9.408 1.00 0.00 C ATOM 1309 O LEU A 79 -3.004 7.598 9.006 1.00 0.00 O ATOM 1310 CB LEU A 79 0.295 6.501 8.694 1.00 0.00 C ATOM 1311 CG LEU A 79 1.515 5.858 9.356 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.858 6.575 10.652 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.262 4.379 9.613 1.00 0.00 C ATOM 0 H LEU A 79 -1.555 5.007 7.882 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.815 6.060 10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.190 6.094 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.480 7.570 8.587 1.00 0.00 H new ATOM 0 HG LEU A 79 2.364 5.950 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.728 6.104 11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.080 7.621 10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.012 6.515 11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.139 3.936 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.401 4.266 10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.064 3.874 8.667 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.220 8.692 9.833 1.00 0.00 N ATOM 1326 CA ASP A 80 -1.886 9.989 9.855 1.00 0.00 C ATOM 1327 C ASP A 80 -1.285 10.928 8.810 1.00 0.00 C ATOM 1328 O ASP A 80 -1.285 12.146 8.984 1.00 0.00 O ATOM 1329 CB ASP A 80 -1.781 10.616 11.248 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.094 10.564 12.005 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.157 10.603 11.351 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -3.057 10.486 13.250 1.00 0.00 O ATOM 0 H ASP A 80 -0.256 8.708 10.167 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.938 9.835 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.013 10.096 11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.460 11.653 11.153 1.00 0.00 H new ATOM 1337 N LYS A 81 -0.776 10.352 7.727 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.175 11.137 6.656 1.00 0.00 C ATOM 1339 C LYS A 81 -1.163 11.337 5.510 1.00 0.00 C ATOM 1340 O LYS A 81 -1.488 12.466 5.147 1.00 0.00 O ATOM 1341 CB LYS A 81 1.091 10.450 6.138 1.00 0.00 C ATOM 1342 CG LYS A 81 1.997 9.931 7.242 1.00 0.00 C ATOM 1343 CD LYS A 81 2.786 11.058 7.895 1.00 0.00 C ATOM 1344 CE LYS A 81 2.289 11.347 9.302 1.00 0.00 C ATOM 1345 NZ LYS A 81 3.243 10.865 10.339 1.00 0.00 N ATOM 0 H LYS A 81 -0.768 9.345 7.568 1.00 0.00 H new ATOM 0 HA LYS A 81 0.090 12.114 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.805 9.619 5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.650 11.154 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.397 9.421 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.687 9.194 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.842 10.791 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.705 11.959 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.137 12.420 9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.320 10.869 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.867 11.081 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.369 9.837 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.160 11.339 10.214 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.634 10.229 4.946 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.588 10.273 3.842 1.00 0.00 C ATOM 1361 C VAL A 82 -3.772 11.180 4.163 1.00 0.00 C ATOM 1362 O VAL A 82 -4.304 11.151 5.273 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.112 8.868 3.495 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.978 7.978 3.011 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.812 8.247 4.694 1.00 0.00 C ATOM 0 H VAL A 82 -1.370 9.287 5.236 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.052 10.677 2.983 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.838 8.962 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.369 6.989 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.526 8.416 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.225 7.890 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.175 7.254 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.110 8.167 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.653 8.874 4.989 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.174 11.986 3.188 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.289 12.902 3.366 1.00 0.00 C ATOM 1377 C VAL A 83 -6.365 12.671 2.307 1.00 0.00 C ATOM 1378 O VAL A 83 -7.557 12.649 2.614 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.815 14.367 3.300 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.986 15.329 3.454 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.757 14.629 4.362 1.00 0.00 C ATOM 0 H VAL A 83 -3.742 12.022 2.265 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.713 12.708 4.351 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.371 14.538 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.623 16.355 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.705 15.159 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.470 15.162 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.432 15.668 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.177 14.436 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.904 13.972 4.195 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.936 12.500 1.062 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.863 12.272 -0.041 1.00 0.00 C ATOM 1393 C GLN A 84 -6.585 10.934 -0.718 1.00 0.00 C ATOM 1394 O GLN A 84 -5.456 10.654 -1.125 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.762 13.405 -1.063 1.00 0.00 C ATOM 1396 CG GLN A 84 -8.093 13.767 -1.702 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.952 14.811 -2.793 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -7.834 14.481 -3.973 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -7.959 16.081 -2.401 1.00 0.00 N ATOM 0 H GLN A 84 -4.953 12.515 0.791 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.874 12.249 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.351 14.288 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.059 13.117 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.547 12.869 -2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.771 14.139 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.059 16.309 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.864 16.828 -3.089 1.00 0.00 H new ATOM 1408 N THR A 85 -7.621 10.111 -0.837 1.00 0.00 N ATOM 1409 CA THR A 85 -7.490 8.800 -1.466 1.00 0.00 C ATOM 1410 C THR A 85 -8.392 8.694 -2.690 1.00 0.00 C ATOM 1411 O THR A 85 -9.359 9.444 -2.828 1.00 0.00 O ATOM 1412 CB THR A 85 -7.836 7.696 -0.466 1.00 0.00 C ATOM 1413 OG1 THR A 85 -9.136 7.885 0.062 1.00 0.00 O ATOM 1414 CG2 THR A 85 -6.873 7.621 0.699 1.00 0.00 C ATOM 0 H THR A 85 -8.561 10.328 -0.506 1.00 0.00 H new ATOM 0 HA THR A 85 -6.455 8.679 -1.787 1.00 0.00 H new ATOM 0 HB THR A 85 -7.772 6.766 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.573 7.015 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.176 6.817 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.867 7.424 0.328 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.881 8.568 1.239 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.070 7.758 -3.576 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.851 7.554 -4.790 1.00 0.00 C ATOM 1424 C LEU A 86 -10.293 7.189 -4.454 1.00 0.00 C ATOM 1425 O LEU A 86 -10.494 6.245 -3.660 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.221 6.456 -5.649 1.00 0.00 C ATOM 1427 CG LEU A 86 -8.550 6.531 -7.142 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -7.851 7.721 -7.781 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -8.154 5.239 -7.839 1.00 0.00 C ATOM 1430 OXT LEU A 86 -11.211 7.848 -4.987 1.00 0.00 O ATOM 0 H LEU A 86 -7.274 7.129 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.853 8.488 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.138 6.498 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.546 5.487 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.626 6.665 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.096 7.760 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.183 8.640 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.773 7.617 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.395 5.309 -8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.083 5.075 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.700 4.405 -7.397 1.00 0.00 H new TER 1442 LEU A 86