USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.365 K(o=-1.2,f=-4.3!) USER MOD Set 1.3: A 96 SER OG : rot 44:sc= -0.818 USER MOD Set 2.1: A 50 GLN : amide:sc= -0.103 X(o=-0.37,f=-0.27) USER MOD Set 2.2: A 51 GLN : amide:sc= -0.27 X(o=-0.37,f=-0.29) USER MOD Single : A 1 MET CE :methyl -143:sc= -4.04! (180deg=-8.76!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.17) USER MOD Single : A 8 CYS SG : rot 81:sc= 1.07 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -119:sc= 0.0722 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.0074) USER MOD Single : A 12 HIS : no HE2:sc= -0.261 K(o=-0.26,f=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.069) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0393) USER MOD Single : A 22 THR OG1 : rot 99:sc= -0.195 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -144:sc= -8.39! (180deg=-9.14!) USER MOD Single : A 28 HIS : no HD1:sc= 0.808 K(o=0.81,f=-6.1!) USER MOD Single : A 29 MET CE :methyl -151:sc= -0.993 (180deg=-1.43) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -8.65! C(o=-8.6!,f=-6.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00948 X(o=-0.0095,f=0) USER MOD Single : A 55 MET CE :methyl 155:sc= 0 (180deg=-0.905) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.0557 (180deg=-0.362) USER MOD Single : A 59 MET CE :methyl -160:sc= -7.76! (180deg=-9.6!) USER MOD Single : A 62 LYS NZ :NH3+ -167:sc=-0.00258 (180deg=-0.121) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 1.29 (180deg=1.17) USER MOD Single : A 65 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.3) USER MOD Single : A 67 SER OG : rot -140:sc= 0.00532 USER MOD Single : A 68 TYR OH : rot -139:sc= -1.8! USER MOD Single : A 70 SER OG : rot 160:sc= 0.262 USER MOD Single : A 73 ASN : amide:sc= -0.092 K(o=-0.092,f=-1.2!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 170:sc= -0.533 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 -0.719 -19.088 -8.706 1.00 0.00 N ATOM 2 CA GLY A -5 0.629 -18.767 -9.235 1.00 0.00 C ATOM 3 C GLY A -5 1.495 -18.063 -8.206 1.00 0.00 C ATOM 4 O GLY A -5 1.066 -17.853 -7.069 1.00 0.00 O ATOM 0 H1 GLY A -5 -0.862 -20.118 -8.723 1.00 0.00 H new ATOM 0 H2 GLY A -5 -0.799 -18.743 -7.728 1.00 0.00 H new ATOM 0 H3 GLY A -5 -1.442 -18.628 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A -5 1.121 -19.686 -9.554 1.00 0.00 H new ATOM 0 HA3 GLY A -5 0.530 -18.135 -10.118 1.00 0.00 H new ATOM 10 N PRO A -4 2.734 -17.694 -8.569 1.00 0.00 N ATOM 11 CA PRO A -4 3.663 -17.019 -7.671 1.00 0.00 C ATOM 12 C PRO A -4 3.494 -15.498 -7.687 1.00 0.00 C ATOM 13 O PRO A -4 3.601 -14.858 -8.737 1.00 0.00 O ATOM 14 CB PRO A -4 5.046 -17.417 -8.221 1.00 0.00 C ATOM 15 CG PRO A -4 4.803 -18.097 -9.540 1.00 0.00 C ATOM 16 CD PRO A -4 3.345 -17.919 -9.878 1.00 0.00 C ATOM 0 HA PRO A -4 3.505 -17.307 -6.632 1.00 0.00 H new ATOM 0 HB2 PRO A -4 5.680 -16.539 -8.348 1.00 0.00 H new ATOM 0 HB3 PRO A -4 5.561 -18.084 -7.530 1.00 0.00 H new ATOM 0 HG2 PRO A -4 5.433 -17.663 -10.317 1.00 0.00 H new ATOM 0 HG3 PRO A -4 5.056 -19.155 -9.478 1.00 0.00 H new ATOM 0 HD2 PRO A -4 3.186 -17.075 -10.549 1.00 0.00 H new ATOM 0 HD3 PRO A -4 2.933 -18.800 -10.370 1.00 0.00 H new ATOM 24 N LEU A -3 3.242 -14.924 -6.520 1.00 0.00 N ATOM 25 CA LEU A -3 3.076 -13.480 -6.395 1.00 0.00 C ATOM 26 C LEU A -3 4.303 -12.871 -5.728 1.00 0.00 C ATOM 27 O LEU A -3 4.420 -12.886 -4.501 1.00 0.00 O ATOM 28 CB LEU A -3 1.820 -13.126 -5.592 1.00 0.00 C ATOM 29 CG LEU A -3 0.491 -13.255 -6.343 1.00 0.00 C ATOM 30 CD1 LEU A -3 0.109 -14.716 -6.521 1.00 0.00 C ATOM 31 CD2 LEU A -3 -0.609 -12.499 -5.612 1.00 0.00 C ATOM 0 H LEU A -3 3.147 -15.436 -5.643 1.00 0.00 H new ATOM 0 HA LEU A -3 2.962 -13.069 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A -3 1.782 -13.767 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A -3 1.916 -12.100 -5.236 1.00 0.00 H new ATOM 0 HG LEU A -3 0.614 -12.815 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A -3 -0.838 -14.782 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A -3 0.885 -15.228 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A -3 0.006 -15.187 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A -3 -1.546 -12.601 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A -3 -0.728 -12.909 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A -3 -0.342 -11.444 -5.543 1.00 0.00 H new ATOM 43 N GLY A -2 5.214 -12.348 -6.535 1.00 0.00 N ATOM 44 CA GLY A -2 6.422 -11.752 -6.000 1.00 0.00 C ATOM 45 C GLY A -2 6.452 -10.250 -6.174 1.00 0.00 C ATOM 46 O GLY A -2 6.214 -9.500 -5.226 1.00 0.00 O ATOM 0 H GLY A -2 5.139 -12.325 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A -2 6.504 -11.994 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A -2 7.289 -12.189 -6.495 1.00 0.00 H new ATOM 50 N SER A -1 6.748 -9.813 -7.387 1.00 0.00 N ATOM 51 CA SER A -1 6.814 -8.392 -7.700 1.00 0.00 C ATOM 52 C SER A -1 6.216 -8.118 -9.077 1.00 0.00 C ATOM 53 O SER A -1 6.135 -9.015 -9.921 1.00 0.00 O ATOM 54 CB SER A -1 8.263 -7.899 -7.647 1.00 0.00 C ATOM 55 OG SER A -1 8.827 -8.110 -6.363 1.00 0.00 O ATOM 0 H SER A -1 6.948 -10.426 -8.177 1.00 0.00 H new ATOM 0 HA SER A -1 6.232 -7.850 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A -1 8.856 -8.421 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A -1 8.299 -6.838 -7.893 1.00 0.00 H new ATOM 0 HG SER A -1 9.753 -7.788 -6.355 1.00 0.00 H new ATOM 61 N MET A 1 5.790 -6.883 -9.304 1.00 0.00 N ATOM 62 CA MET A 1 5.195 -6.518 -10.583 1.00 0.00 C ATOM 63 C MET A 1 6.249 -6.346 -11.665 1.00 0.00 C ATOM 64 O MET A 1 7.398 -6.758 -11.509 1.00 0.00 O ATOM 65 CB MET A 1 4.356 -5.240 -10.472 1.00 0.00 C ATOM 66 CG MET A 1 5.111 -4.018 -9.986 1.00 0.00 C ATOM 67 SD MET A 1 5.448 -4.066 -8.220 1.00 0.00 S ATOM 68 CE MET A 1 5.719 -2.328 -7.905 1.00 0.00 C ATOM 0 H MET A 1 5.844 -6.123 -8.626 1.00 0.00 H new ATOM 0 HA MET A 1 4.539 -7.342 -10.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.927 -5.019 -11.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.523 -5.428 -9.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.053 -3.938 -10.529 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.533 -3.123 -10.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.511 -2.211 -7.165 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.011 -1.832 -8.830 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.800 -1.879 -7.527 1.00 0.00 H new ATOM 78 N ASP A 2 5.836 -5.743 -12.765 1.00 0.00 N ATOM 79 CA ASP A 2 6.719 -5.521 -13.894 1.00 0.00 C ATOM 80 C ASP A 2 7.759 -4.461 -13.586 1.00 0.00 C ATOM 81 O ASP A 2 7.447 -3.408 -13.033 1.00 0.00 O ATOM 82 CB ASP A 2 5.916 -5.132 -15.133 1.00 0.00 C ATOM 83 CG ASP A 2 6.795 -4.826 -16.322 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.536 -5.725 -16.771 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.756 -3.683 -16.798 1.00 0.00 O ATOM 0 H ASP A 2 4.886 -5.396 -12.900 1.00 0.00 H new ATOM 0 HA ASP A 2 7.243 -6.456 -14.093 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.234 -5.943 -15.389 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.303 -4.260 -14.905 1.00 0.00 H new ATOM 90 N ALA A 3 8.994 -4.768 -13.946 1.00 0.00 N ATOM 91 CA ALA A 3 10.117 -3.875 -13.727 1.00 0.00 C ATOM 92 C ALA A 3 9.938 -2.571 -14.493 1.00 0.00 C ATOM 93 O ALA A 3 10.272 -1.509 -13.987 1.00 0.00 O ATOM 94 CB ALA A 3 11.418 -4.554 -14.128 1.00 0.00 C ATOM 0 H ALA A 3 9.246 -5.646 -14.400 1.00 0.00 H new ATOM 0 HA ALA A 3 10.159 -3.637 -12.664 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.251 -3.872 -13.958 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.558 -5.454 -13.530 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.378 -4.822 -15.184 1.00 0.00 H new ATOM 100 N LYS A 4 9.396 -2.650 -15.708 1.00 0.00 N ATOM 101 CA LYS A 4 9.170 -1.452 -16.513 1.00 0.00 C ATOM 102 C LYS A 4 8.091 -0.585 -15.872 1.00 0.00 C ATOM 103 O LYS A 4 8.246 0.627 -15.766 1.00 0.00 O ATOM 104 CB LYS A 4 8.778 -1.801 -17.955 1.00 0.00 C ATOM 105 CG LYS A 4 9.900 -2.405 -18.791 1.00 0.00 C ATOM 106 CD LYS A 4 10.223 -3.829 -18.364 1.00 0.00 C ATOM 107 CE LYS A 4 11.249 -4.473 -19.280 1.00 0.00 C ATOM 108 NZ LYS A 4 11.481 -5.901 -18.934 1.00 0.00 N ATOM 0 H LYS A 4 9.108 -3.522 -16.152 1.00 0.00 H new ATOM 0 HA LYS A 4 10.107 -0.896 -16.550 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.944 -2.502 -17.931 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.421 -0.897 -18.449 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.613 -2.398 -19.843 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.793 -1.787 -18.700 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.600 -3.825 -17.341 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.310 -4.425 -18.365 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.910 -4.400 -20.313 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.189 -3.926 -19.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.187 -6.305 -19.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.829 -5.969 -17.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.589 -6.429 -19.022 1.00 0.00 H new ATOM 122 N ALA A 5 7.014 -1.221 -15.418 1.00 0.00 N ATOM 123 CA ALA A 5 5.928 -0.509 -14.752 1.00 0.00 C ATOM 124 C ALA A 5 6.432 0.092 -13.442 1.00 0.00 C ATOM 125 O ALA A 5 6.268 1.285 -13.181 1.00 0.00 O ATOM 126 CB ALA A 5 4.794 -1.475 -14.481 1.00 0.00 C ATOM 0 H ALA A 5 6.871 -2.228 -15.499 1.00 0.00 H new ATOM 0 HA ALA A 5 5.570 0.298 -15.392 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.979 -0.949 -13.983 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.436 -1.890 -15.423 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.149 -2.283 -13.841 1.00 0.00 H new ATOM 132 N ARG A 6 7.060 -0.754 -12.626 1.00 0.00 N ATOM 133 CA ARG A 6 7.592 -0.327 -11.338 1.00 0.00 C ATOM 134 C ARG A 6 8.642 0.777 -11.489 1.00 0.00 C ATOM 135 O ARG A 6 8.769 1.659 -10.633 1.00 0.00 O ATOM 136 CB ARG A 6 8.186 -1.524 -10.604 1.00 0.00 C ATOM 137 CG ARG A 6 8.661 -1.183 -9.207 1.00 0.00 C ATOM 138 CD ARG A 6 9.100 -2.423 -8.449 1.00 0.00 C ATOM 139 NE ARG A 6 10.304 -3.036 -9.019 1.00 0.00 N ATOM 140 CZ ARG A 6 10.890 -4.126 -8.530 1.00 0.00 C ATOM 141 NH1 ARG A 6 10.416 -4.685 -7.421 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.968 -4.633 -9.124 1.00 0.00 N ATOM 0 H ARG A 6 7.212 -1.740 -12.837 1.00 0.00 H new ATOM 0 HA ARG A 6 6.768 0.087 -10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.438 -2.315 -10.545 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.023 -1.919 -11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.491 -0.479 -9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.859 -0.686 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.289 -2.160 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.290 -3.152 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 6 10.718 -2.599 -9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.608 -4.278 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.861 -5.521 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.349 -4.186 -9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.413 -5.469 -8.745 1.00 0.00 H new ATOM 156 N ASN A 7 9.391 0.732 -12.580 1.00 0.00 N ATOM 157 CA ASN A 7 10.416 1.728 -12.839 1.00 0.00 C ATOM 158 C ASN A 7 9.782 3.019 -13.275 1.00 0.00 C ATOM 159 O ASN A 7 10.075 4.046 -12.710 1.00 0.00 O ATOM 160 CB ASN A 7 11.433 1.258 -13.890 1.00 0.00 C ATOM 161 CG ASN A 7 12.657 0.608 -13.274 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.293 1.173 -12.384 1.00 0.00 O ATOM 163 ND2 ASN A 7 13.005 -0.573 -13.755 1.00 0.00 N ATOM 0 H ASN A 7 9.307 0.015 -13.300 1.00 0.00 H new ATOM 0 HA ASN A 7 10.961 1.883 -11.908 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.951 0.549 -14.564 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.745 2.110 -14.494 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.828 -1.051 -13.388 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.450 -1.007 -14.493 1.00 0.00 H new ATOM 170 N CYS A 8 8.886 2.978 -14.251 1.00 0.00 N ATOM 171 CA CYS A 8 8.206 4.198 -14.703 1.00 0.00 C ATOM 172 C CYS A 8 7.576 4.922 -13.519 1.00 0.00 C ATOM 173 O CYS A 8 7.386 6.138 -13.543 1.00 0.00 O ATOM 174 CB CYS A 8 7.142 3.859 -15.739 1.00 0.00 C ATOM 175 SG CYS A 8 7.804 3.120 -17.249 1.00 0.00 S ATOM 0 H CYS A 8 8.611 2.128 -14.744 1.00 0.00 H new ATOM 0 HA CYS A 8 8.943 4.856 -15.163 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.422 3.172 -15.295 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.598 4.767 -15.998 1.00 0.00 H new ATOM 0 HG CYS A 8 8.020 1.853 -17.053 1.00 0.00 H new ATOM 181 N LEU A 9 7.296 4.158 -12.476 1.00 0.00 N ATOM 182 CA LEU A 9 6.735 4.675 -11.255 1.00 0.00 C ATOM 183 C LEU A 9 7.782 5.444 -10.448 1.00 0.00 C ATOM 184 O LEU A 9 7.629 6.636 -10.190 1.00 0.00 O ATOM 185 CB LEU A 9 6.185 3.503 -10.426 1.00 0.00 C ATOM 186 CG LEU A 9 6.110 3.726 -8.916 1.00 0.00 C ATOM 187 CD1 LEU A 9 5.011 4.719 -8.560 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.897 2.408 -8.191 1.00 0.00 C ATOM 0 H LEU A 9 7.457 3.151 -12.461 1.00 0.00 H new ATOM 0 HA LEU A 9 5.931 5.369 -11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.185 3.266 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.807 2.628 -10.613 1.00 0.00 H new ATOM 0 HG LEU A 9 7.061 4.149 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.982 4.857 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.214 5.675 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.050 4.336 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.846 2.588 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.965 1.954 -8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.727 1.735 -8.408 1.00 0.00 H new ATOM 200 N LEU A 10 8.831 4.751 -10.024 1.00 0.00 N ATOM 201 CA LEU A 10 9.862 5.379 -9.192 1.00 0.00 C ATOM 202 C LEU A 10 10.921 6.160 -9.986 1.00 0.00 C ATOM 203 O LEU A 10 11.540 7.079 -9.454 1.00 0.00 O ATOM 204 CB LEU A 10 10.517 4.310 -8.338 1.00 0.00 C ATOM 205 CG LEU A 10 9.787 3.979 -7.043 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.286 2.664 -6.479 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.984 5.091 -6.022 1.00 0.00 C ATOM 0 H LEU A 10 8.994 3.767 -10.236 1.00 0.00 H new ATOM 0 HA LEU A 10 9.364 6.124 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.606 3.399 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.529 4.632 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 10 8.723 3.888 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.755 2.440 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.108 1.867 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.354 2.737 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.456 4.839 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.047 5.206 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.590 6.026 -6.421 1.00 0.00 H new ATOM 219 N GLN A 11 11.116 5.793 -11.246 1.00 0.00 N ATOM 220 CA GLN A 11 12.089 6.449 -12.128 1.00 0.00 C ATOM 221 C GLN A 11 11.676 7.892 -12.368 1.00 0.00 C ATOM 222 O GLN A 11 12.521 8.775 -12.506 1.00 0.00 O ATOM 223 CB GLN A 11 12.188 5.691 -13.457 1.00 0.00 C ATOM 224 CG GLN A 11 13.204 6.239 -14.434 1.00 0.00 C ATOM 225 CD GLN A 11 13.133 5.530 -15.771 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.917 5.803 -16.680 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.183 4.616 -15.898 1.00 0.00 N ATOM 0 H GLN A 11 10.606 5.031 -11.692 1.00 0.00 H new ATOM 0 HA GLN A 11 13.069 6.440 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.434 4.650 -13.246 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.208 5.696 -13.934 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.032 7.306 -14.578 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.205 6.131 -14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.555 4.422 -15.118 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.080 4.106 -16.776 1.00 0.00 H new ATOM 236 N HIS A 12 10.369 8.129 -12.363 1.00 0.00 N ATOM 237 CA HIS A 12 9.832 9.464 -12.533 1.00 0.00 C ATOM 238 C HIS A 12 9.836 10.203 -11.210 1.00 0.00 C ATOM 239 O HIS A 12 8.905 10.926 -10.887 1.00 0.00 O ATOM 240 CB HIS A 12 8.437 9.444 -13.153 1.00 0.00 C ATOM 241 CG HIS A 12 8.460 9.289 -14.652 1.00 0.00 C ATOM 242 ND1 HIS A 12 9.101 10.172 -15.501 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.937 8.329 -15.449 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.957 9.766 -16.751 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.258 8.648 -16.745 1.00 0.00 N ATOM 0 H HIS A 12 9.661 7.405 -12.242 1.00 0.00 H new ATOM 0 HA HIS A 12 10.477 9.998 -13.231 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.864 8.626 -12.718 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.918 10.368 -12.897 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.607 11.008 -15.208 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.370 7.469 -15.125 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.345 10.265 -17.627 1.00 0.00 H new ATOM 254 N ARG A 13 10.934 10.021 -10.484 1.00 0.00 N ATOM 255 CA ARG A 13 11.193 10.670 -9.192 1.00 0.00 C ATOM 256 C ARG A 13 10.842 12.152 -9.255 1.00 0.00 C ATOM 257 O ARG A 13 10.414 12.737 -8.263 1.00 0.00 O ATOM 258 CB ARG A 13 12.671 10.529 -8.821 1.00 0.00 C ATOM 259 CG ARG A 13 13.013 9.328 -7.950 1.00 0.00 C ATOM 260 CD ARG A 13 12.578 9.551 -6.509 1.00 0.00 C ATOM 261 NE ARG A 13 13.598 9.109 -5.551 1.00 0.00 N ATOM 262 CZ ARG A 13 13.857 7.840 -5.260 1.00 0.00 C ATOM 263 NH1 ARG A 13 13.106 6.873 -5.755 1.00 0.00 N ATOM 264 NH2 ARG A 13 14.850 7.544 -4.441 1.00 0.00 N ATOM 0 H ARG A 13 11.690 9.404 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 13 10.573 10.184 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.255 10.468 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.986 11.434 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.525 8.438 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.087 9.145 -7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.369 10.609 -6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.649 9.012 -6.323 1.00 0.00 H new ATOM 0 HE ARG A 13 14.146 9.826 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.321 7.099 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.311 5.900 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.415 8.289 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.052 6.570 -4.215 1.00 0.00 H new ATOM 278 N GLU A 14 11.008 12.730 -10.440 1.00 0.00 N ATOM 279 CA GLU A 14 10.692 14.125 -10.698 1.00 0.00 C ATOM 280 C GLU A 14 9.274 14.445 -10.225 1.00 0.00 C ATOM 281 O GLU A 14 8.978 15.568 -9.813 1.00 0.00 O ATOM 282 CB GLU A 14 10.807 14.388 -12.204 1.00 0.00 C ATOM 283 CG GLU A 14 9.818 13.573 -13.053 1.00 0.00 C ATOM 284 CD GLU A 14 10.093 13.632 -14.548 1.00 0.00 C ATOM 285 OE1 GLU A 14 10.208 14.744 -15.100 1.00 0.00 O ATOM 286 OE2 GLU A 14 10.164 12.556 -15.183 1.00 0.00 O ATOM 0 H GLU A 14 11.370 12.235 -11.255 1.00 0.00 H new ATOM 0 HA GLU A 14 11.390 14.761 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.644 15.449 -12.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.823 14.160 -12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.848 12.533 -12.729 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.808 13.936 -12.865 1.00 0.00 H new ATOM 293 N ALA A 15 8.406 13.438 -10.280 1.00 0.00 N ATOM 294 CA ALA A 15 7.028 13.594 -9.864 1.00 0.00 C ATOM 295 C ALA A 15 6.643 12.554 -8.807 1.00 0.00 C ATOM 296 O ALA A 15 5.638 12.723 -8.122 1.00 0.00 O ATOM 297 CB ALA A 15 6.099 13.515 -11.073 1.00 0.00 C ATOM 0 H ALA A 15 8.641 12.503 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 15 6.920 14.578 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.066 13.634 -10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.350 14.308 -11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.217 12.547 -11.560 1.00 0.00 H new ATOM 303 N LEU A 16 7.439 11.480 -8.682 1.00 0.00 N ATOM 304 CA LEU A 16 7.168 10.408 -7.700 1.00 0.00 C ATOM 305 C LEU A 16 6.905 10.985 -6.309 1.00 0.00 C ATOM 306 O LEU A 16 5.765 11.153 -5.917 1.00 0.00 O ATOM 307 CB LEU A 16 8.334 9.403 -7.647 1.00 0.00 C ATOM 308 CG LEU A 16 8.013 8.040 -7.020 1.00 0.00 C ATOM 309 CD1 LEU A 16 8.011 8.105 -5.501 1.00 0.00 C ATOM 310 CD2 LEU A 16 6.671 7.544 -7.522 1.00 0.00 C ATOM 0 H LEU A 16 8.275 11.327 -9.246 1.00 0.00 H new ATOM 0 HA LEU A 16 6.271 9.883 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.694 9.239 -8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.153 9.855 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 16 8.795 7.342 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.780 7.120 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.993 8.421 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.259 8.820 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.450 6.576 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.894 8.257 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.703 7.442 -8.607 1.00 0.00 H new ATOM 322 N GLU A 17 7.963 11.268 -5.567 1.00 0.00 N ATOM 323 CA GLU A 17 7.840 11.799 -4.208 1.00 0.00 C ATOM 324 C GLU A 17 7.199 13.195 -4.182 1.00 0.00 C ATOM 325 O GLU A 17 6.813 13.691 -3.126 1.00 0.00 O ATOM 326 CB GLU A 17 9.228 11.838 -3.568 1.00 0.00 C ATOM 327 CG GLU A 17 9.232 12.170 -2.087 1.00 0.00 C ATOM 328 CD GLU A 17 10.627 12.126 -1.497 1.00 0.00 C ATOM 329 OE1 GLU A 17 11.218 11.027 -1.445 1.00 0.00 O ATOM 330 OE2 GLU A 17 11.149 13.189 -1.103 1.00 0.00 O ATOM 0 H GLU A 17 8.925 11.140 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 17 7.180 11.142 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.707 10.869 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.835 12.575 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.807 13.162 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.592 11.465 -1.556 1.00 0.00 H new ATOM 337 N LYS A 18 7.087 13.819 -5.344 1.00 0.00 N ATOM 338 CA LYS A 18 6.503 15.153 -5.441 1.00 0.00 C ATOM 339 C LYS A 18 4.974 15.103 -5.468 1.00 0.00 C ATOM 340 O LYS A 18 4.314 16.002 -4.953 1.00 0.00 O ATOM 341 CB LYS A 18 7.030 15.884 -6.687 1.00 0.00 C ATOM 342 CG LYS A 18 8.460 16.402 -6.565 1.00 0.00 C ATOM 343 CD LYS A 18 9.475 15.274 -6.493 1.00 0.00 C ATOM 344 CE LYS A 18 10.904 15.803 -6.449 1.00 0.00 C ATOM 345 NZ LYS A 18 11.173 16.610 -5.225 1.00 0.00 N ATOM 0 H LYS A 18 7.392 13.426 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 18 6.803 15.705 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.975 15.207 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.371 16.724 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.688 17.039 -7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.545 17.022 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.284 14.668 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.355 14.621 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.600 14.965 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.090 16.414 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.187 16.833 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.626 17.494 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.894 16.067 -4.383 1.00 0.00 H new ATOM 359 N ASP A 19 4.415 14.066 -6.082 1.00 0.00 N ATOM 360 CA ASP A 19 2.962 13.939 -6.177 1.00 0.00 C ATOM 361 C ASP A 19 2.428 12.730 -5.412 1.00 0.00 C ATOM 362 O ASP A 19 1.292 12.751 -4.947 1.00 0.00 O ATOM 363 CB ASP A 19 2.515 13.851 -7.638 1.00 0.00 C ATOM 364 CG ASP A 19 2.505 15.199 -8.331 1.00 0.00 C ATOM 365 OD1 ASP A 19 1.844 16.129 -7.826 1.00 0.00 O ATOM 366 OD2 ASP A 19 3.148 15.335 -9.394 1.00 0.00 O ATOM 0 H ASP A 19 4.938 13.307 -6.518 1.00 0.00 H new ATOM 0 HA ASP A 19 2.547 14.837 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.180 13.176 -8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.516 13.417 -7.682 1.00 0.00 H new ATOM 371 N ILE A 20 3.240 11.682 -5.286 1.00 0.00 N ATOM 372 CA ILE A 20 2.833 10.475 -4.582 1.00 0.00 C ATOM 373 C ILE A 20 2.395 10.835 -3.158 1.00 0.00 C ATOM 374 O ILE A 20 3.114 11.492 -2.397 1.00 0.00 O ATOM 375 CB ILE A 20 3.964 9.398 -4.617 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.382 7.983 -4.712 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.891 9.504 -3.420 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.405 6.930 -5.115 1.00 0.00 C ATOM 0 H ILE A 20 4.186 11.648 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 20 1.977 10.028 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 20 4.553 9.594 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.952 7.710 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.567 7.982 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.661 8.736 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.360 10.488 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.318 9.365 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.923 5.954 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.817 7.179 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.208 6.903 -4.379 1.00 0.00 H new ATOM 390 N LYS A 21 1.167 10.467 -2.838 1.00 0.00 N ATOM 391 CA LYS A 21 0.582 10.793 -1.549 1.00 0.00 C ATOM 392 C LYS A 21 -0.116 9.569 -0.969 1.00 0.00 C ATOM 393 O LYS A 21 -0.422 8.629 -1.700 1.00 0.00 O ATOM 394 CB LYS A 21 -0.429 11.935 -1.724 1.00 0.00 C ATOM 395 CG LYS A 21 -0.223 13.094 -0.763 1.00 0.00 C ATOM 396 CD LYS A 21 -1.238 14.208 -1.002 1.00 0.00 C ATOM 397 CE LYS A 21 -1.112 15.329 0.024 1.00 0.00 C ATOM 398 NZ LYS A 21 0.209 16.004 -0.035 1.00 0.00 N ATOM 0 H LYS A 21 0.552 9.939 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 21 1.370 11.106 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.367 12.308 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.436 11.539 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.309 12.736 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.786 13.489 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.099 14.616 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.246 13.794 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.900 16.063 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.265 14.922 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.216 16.811 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.955 15.332 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.383 16.343 -1.003 1.00 0.00 H new ATOM 412 N THR A 22 -0.374 9.575 0.335 1.00 0.00 N ATOM 413 CA THR A 22 -1.041 8.441 0.967 1.00 0.00 C ATOM 414 C THR A 22 -2.528 8.750 1.239 1.00 0.00 C ATOM 415 O THR A 22 -3.324 8.745 0.301 1.00 0.00 O ATOM 416 CB THR A 22 -0.275 7.991 2.251 1.00 0.00 C ATOM 417 OG1 THR A 22 -1.049 7.068 3.029 1.00 0.00 O ATOM 418 CG2 THR A 22 0.122 9.181 3.121 1.00 0.00 C ATOM 0 H THR A 22 -0.136 10.340 0.967 1.00 0.00 H new ATOM 0 HA THR A 22 -1.021 7.599 0.276 1.00 0.00 H new ATOM 0 HB THR A 22 0.632 7.492 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.756 6.153 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.653 8.825 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.770 9.847 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.773 9.721 3.429 1.00 0.00 H new ATOM 426 N SER A 23 -2.871 9.040 2.497 1.00 0.00 N ATOM 427 CA SER A 23 -4.237 9.371 2.942 1.00 0.00 C ATOM 428 C SER A 23 -5.364 8.778 2.072 1.00 0.00 C ATOM 429 O SER A 23 -5.764 7.631 2.266 1.00 0.00 O ATOM 430 CB SER A 23 -4.391 10.890 3.052 1.00 0.00 C ATOM 431 OG SER A 23 -3.429 11.437 3.943 1.00 0.00 O ATOM 0 H SER A 23 -2.192 9.053 3.258 1.00 0.00 H new ATOM 0 HA SER A 23 -4.354 8.900 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.278 11.343 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.395 11.133 3.401 1.00 0.00 H new ATOM 0 HG SER A 23 -3.547 12.409 3.995 1.00 0.00 H new ATOM 437 N TYR A 24 -5.878 9.579 1.137 1.00 0.00 N ATOM 438 CA TYR A 24 -6.979 9.173 0.252 1.00 0.00 C ATOM 439 C TYR A 24 -6.616 8.005 -0.659 1.00 0.00 C ATOM 440 O TYR A 24 -7.372 7.037 -0.779 1.00 0.00 O ATOM 441 CB TYR A 24 -7.419 10.365 -0.598 1.00 0.00 C ATOM 442 CG TYR A 24 -8.113 11.449 0.198 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.402 12.268 1.066 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.487 11.636 0.099 1.00 0.00 C ATOM 445 CE1 TYR A 24 -8.037 13.245 1.809 1.00 0.00 C ATOM 446 CE2 TYR A 24 -10.128 12.613 0.836 1.00 0.00 C ATOM 447 CZ TYR A 24 -9.401 13.415 1.690 1.00 0.00 C ATOM 448 OH TYR A 24 -10.039 14.386 2.432 1.00 0.00 O ATOM 0 H TYR A 24 -5.545 10.528 0.969 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.793 8.835 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.546 10.791 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.090 10.014 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.334 12.139 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.062 11.008 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.468 13.872 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.196 12.748 0.743 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.998 14.375 2.230 1.00 0.00 H new ATOM 458 N ILE A 25 -5.463 8.098 -1.298 1.00 0.00 N ATOM 459 CA ILE A 25 -4.990 7.055 -2.200 1.00 0.00 C ATOM 460 C ILE A 25 -4.855 5.737 -1.445 1.00 0.00 C ATOM 461 O ILE A 25 -5.203 4.669 -1.946 1.00 0.00 O ATOM 462 CB ILE A 25 -3.634 7.455 -2.828 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.810 8.729 -3.656 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.064 6.330 -3.687 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.531 9.225 -4.286 1.00 0.00 C ATOM 0 H ILE A 25 -4.829 8.892 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.717 6.931 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.922 7.643 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.543 8.543 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.218 9.513 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.111 6.644 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.911 5.444 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.762 6.097 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.734 10.131 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.802 9.444 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.132 8.459 -4.951 1.00 0.00 H new ATOM 477 N MET A 26 -4.378 5.839 -0.222 1.00 0.00 N ATOM 478 CA MET A 26 -4.205 4.685 0.636 1.00 0.00 C ATOM 479 C MET A 26 -5.541 4.223 1.215 1.00 0.00 C ATOM 480 O MET A 26 -5.667 3.083 1.647 1.00 0.00 O ATOM 481 CB MET A 26 -3.246 5.033 1.777 1.00 0.00 C ATOM 482 CG MET A 26 -3.034 3.902 2.772 1.00 0.00 C ATOM 483 SD MET A 26 -2.155 4.440 4.249 1.00 0.00 S ATOM 484 CE MET A 26 -2.062 2.909 5.169 1.00 0.00 C ATOM 0 H MET A 26 -4.100 6.723 0.205 1.00 0.00 H new ATOM 0 HA MET A 26 -3.792 3.873 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.282 5.317 1.354 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.630 5.904 2.308 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.001 3.488 3.059 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.474 3.100 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.165 3.118 6.234 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.865 2.244 4.850 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.100 2.431 4.984 1.00 0.00 H new ATOM 494 N ASP A 27 -6.544 5.097 1.217 1.00 0.00 N ATOM 495 CA ASP A 27 -7.848 4.734 1.762 1.00 0.00 C ATOM 496 C ASP A 27 -8.507 3.738 0.838 1.00 0.00 C ATOM 497 O ASP A 27 -9.139 2.772 1.270 1.00 0.00 O ATOM 498 CB ASP A 27 -8.721 5.983 1.929 1.00 0.00 C ATOM 499 CG ASP A 27 -9.877 5.782 2.890 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.729 4.907 2.641 1.00 0.00 O ATOM 501 OD2 ASP A 27 -9.944 6.520 3.897 1.00 0.00 O ATOM 0 H ASP A 27 -6.481 6.048 0.853 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.722 4.281 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.101 6.806 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.114 6.276 0.955 1.00 0.00 H new ATOM 506 N HIS A 28 -8.315 3.958 -0.442 1.00 0.00 N ATOM 507 CA HIS A 28 -8.855 3.071 -1.450 1.00 0.00 C ATOM 508 C HIS A 28 -8.091 1.755 -1.460 1.00 0.00 C ATOM 509 O HIS A 28 -8.672 0.704 -1.682 1.00 0.00 O ATOM 510 CB HIS A 28 -8.802 3.728 -2.823 1.00 0.00 C ATOM 511 CG HIS A 28 -9.598 4.989 -2.893 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.962 5.026 -2.715 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.208 6.270 -3.078 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.380 6.275 -2.783 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.334 7.049 -3.003 1.00 0.00 N ATOM 0 H HIS A 28 -7.786 4.748 -0.813 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.898 2.865 -1.208 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.764 3.944 -3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.174 3.027 -3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.199 6.615 -3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.402 6.607 -2.677 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.359 8.064 -3.101 1.00 0.00 H new ATOM 524 N MET A 29 -6.785 1.819 -1.199 1.00 0.00 N ATOM 525 CA MET A 29 -5.956 0.614 -1.176 1.00 0.00 C ATOM 526 C MET A 29 -6.338 -0.315 -0.021 1.00 0.00 C ATOM 527 O MET A 29 -6.352 -1.539 -0.175 1.00 0.00 O ATOM 528 CB MET A 29 -4.473 0.971 -1.079 1.00 0.00 C ATOM 529 CG MET A 29 -3.923 1.622 -2.335 1.00 0.00 C ATOM 530 SD MET A 29 -2.168 1.302 -2.560 1.00 0.00 S ATOM 531 CE MET A 29 -2.195 -0.426 -3.045 1.00 0.00 C ATOM 0 H MET A 29 -6.282 2.684 -1.002 1.00 0.00 H new ATOM 0 HA MET A 29 -6.136 0.088 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.324 1.645 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.903 0.066 -0.869 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.471 1.253 -3.202 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.090 2.698 -2.286 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.268 -0.906 -2.733 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.040 -0.924 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.294 -0.498 -4.128 1.00 0.00 H new ATOM 541 N ILE A 30 -6.650 0.258 1.139 1.00 0.00 N ATOM 542 CA ILE A 30 -7.033 -0.541 2.299 1.00 0.00 C ATOM 543 C ILE A 30 -8.471 -1.016 2.141 1.00 0.00 C ATOM 544 O ILE A 30 -8.811 -2.139 2.512 1.00 0.00 O ATOM 545 CB ILE A 30 -6.918 0.244 3.618 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.585 0.982 3.699 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.066 -0.683 4.823 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.372 1.684 5.019 1.00 0.00 C ATOM 0 H ILE A 30 -6.645 1.265 1.300 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.345 -1.385 2.346 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.727 0.974 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.774 0.272 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.533 1.714 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.981 -0.102 5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.041 -1.169 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.282 -1.440 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.406 2.189 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.164 2.417 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.392 0.953 5.827 1.00 0.00 H new ATOM 560 N SER A 31 -9.308 -0.152 1.565 1.00 0.00 N ATOM 561 CA SER A 31 -10.707 -0.483 1.327 1.00 0.00 C ATOM 562 C SER A 31 -10.794 -1.618 0.312 1.00 0.00 C ATOM 563 O SER A 31 -11.700 -2.451 0.363 1.00 0.00 O ATOM 564 CB SER A 31 -11.481 0.743 0.829 1.00 0.00 C ATOM 565 OG SER A 31 -12.871 0.477 0.773 1.00 0.00 O ATOM 0 H SER A 31 -9.038 0.782 1.256 1.00 0.00 H new ATOM 0 HA SER A 31 -11.159 -0.804 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.295 1.589 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.121 1.028 -0.160 1.00 0.00 H new ATOM 0 HG SER A 31 -13.344 1.274 0.454 1.00 0.00 H new ATOM 571 N ASP A 32 -9.814 -1.671 -0.586 1.00 0.00 N ATOM 572 CA ASP A 32 -9.755 -2.728 -1.575 1.00 0.00 C ATOM 573 C ASP A 32 -9.315 -4.015 -0.900 1.00 0.00 C ATOM 574 O ASP A 32 -9.647 -5.115 -1.349 1.00 0.00 O ATOM 575 CB ASP A 32 -8.787 -2.384 -2.709 1.00 0.00 C ATOM 576 CG ASP A 32 -9.428 -1.580 -3.820 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.506 -1.977 -4.308 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.833 -0.571 -4.245 1.00 0.00 O ATOM 0 H ASP A 32 -9.054 -0.993 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.747 -2.848 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.946 -1.822 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.382 -3.307 -3.125 1.00 0.00 H new ATOM 583 N GLY A 33 -8.577 -3.873 0.200 1.00 0.00 N ATOM 584 CA GLY A 33 -8.119 -5.039 0.928 1.00 0.00 C ATOM 585 C GLY A 33 -6.710 -5.443 0.563 1.00 0.00 C ATOM 586 O GLY A 33 -6.217 -6.469 1.028 1.00 0.00 O ATOM 0 H GLY A 33 -8.291 -2.977 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.168 -4.836 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.793 -5.872 0.731 1.00 0.00 H new ATOM 590 N PHE A 34 -6.048 -4.639 -0.260 1.00 0.00 N ATOM 591 CA PHE A 34 -4.682 -4.945 -0.651 1.00 0.00 C ATOM 592 C PHE A 34 -3.740 -4.521 0.462 1.00 0.00 C ATOM 593 O PHE A 34 -2.634 -5.046 0.613 1.00 0.00 O ATOM 594 CB PHE A 34 -4.321 -4.273 -1.984 1.00 0.00 C ATOM 595 CG PHE A 34 -5.081 -4.841 -3.157 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.448 -4.654 -3.275 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.425 -5.558 -4.140 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.148 -5.173 -4.344 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.120 -6.082 -5.214 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.480 -5.888 -5.318 1.00 0.00 C ATOM 0 H PHE A 34 -6.429 -3.783 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.584 -6.019 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.522 -3.204 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.252 -4.385 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.975 -4.093 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.358 -5.710 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.215 -5.021 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.596 -6.644 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.022 -6.294 -6.159 1.00 0.00 H new ATOM 610 N LEU A 35 -4.216 -3.597 1.279 1.00 0.00 N ATOM 611 CA LEU A 35 -3.465 -3.126 2.424 1.00 0.00 C ATOM 612 C LEU A 35 -4.162 -3.612 3.682 1.00 0.00 C ATOM 613 O LEU A 35 -5.264 -3.170 4.000 1.00 0.00 O ATOM 614 CB LEU A 35 -3.356 -1.604 2.431 1.00 0.00 C ATOM 615 CG LEU A 35 -2.076 -1.021 1.832 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.921 -1.416 0.375 1.00 0.00 C ATOM 617 CD2 LEU A 35 -2.065 0.493 1.984 1.00 0.00 C ATOM 0 H LEU A 35 -5.129 -3.156 1.166 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.450 -3.520 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.207 -1.196 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.442 -1.258 3.461 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.227 -1.433 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.002 -0.986 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.878 -2.502 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.772 -1.044 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.148 0.895 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.925 0.917 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.114 0.753 3.041 1.00 0.00 H new ATOM 629 N THR A 36 -3.521 -4.537 4.374 1.00 0.00 N ATOM 630 CA THR A 36 -4.079 -5.118 5.584 1.00 0.00 C ATOM 631 C THR A 36 -3.887 -4.168 6.759 1.00 0.00 C ATOM 632 O THR A 36 -3.180 -3.175 6.636 1.00 0.00 O ATOM 633 CB THR A 36 -3.398 -6.473 5.892 1.00 0.00 C ATOM 634 OG1 THR A 36 -3.073 -7.133 4.662 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.309 -7.383 6.709 1.00 0.00 C ATOM 0 H THR A 36 -2.605 -4.905 4.116 1.00 0.00 H new ATOM 0 HA THR A 36 -5.145 -5.284 5.429 1.00 0.00 H new ATOM 0 HB THR A 36 -2.497 -6.271 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.640 -7.991 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.799 -8.326 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.555 -6.898 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.225 -7.577 6.151 1.00 0.00 H new ATOM 643 N ILE A 37 -4.523 -4.474 7.884 1.00 0.00 N ATOM 644 CA ILE A 37 -4.417 -3.637 9.075 1.00 0.00 C ATOM 645 C ILE A 37 -2.948 -3.408 9.444 1.00 0.00 C ATOM 646 O ILE A 37 -2.566 -2.302 9.801 1.00 0.00 O ATOM 647 CB ILE A 37 -5.166 -4.257 10.279 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.620 -4.557 9.905 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.109 -3.333 11.491 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.425 -3.330 9.517 1.00 0.00 C ATOM 0 H ILE A 37 -5.117 -5.295 7.997 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.884 -2.681 8.840 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.672 -5.192 10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.632 -5.264 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.107 -5.047 10.748 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.643 -3.792 12.324 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.069 -3.167 11.774 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.574 -2.379 11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.443 -3.627 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.446 -2.630 10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.964 -2.851 8.653 1.00 0.00 H new ATOM 662 N SER A 38 -2.129 -4.455 9.330 1.00 0.00 N ATOM 663 CA SER A 38 -0.694 -4.363 9.631 1.00 0.00 C ATOM 664 C SER A 38 0.038 -3.542 8.573 1.00 0.00 C ATOM 665 O SER A 38 0.970 -2.799 8.887 1.00 0.00 O ATOM 666 CB SER A 38 -0.102 -5.771 9.728 1.00 0.00 C ATOM 667 OG SER A 38 -0.585 -6.586 8.670 1.00 0.00 O ATOM 0 H SER A 38 -2.434 -5.381 9.030 1.00 0.00 H new ATOM 0 HA SER A 38 -0.568 -3.854 10.587 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.986 -5.718 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.364 -6.217 10.688 1.00 0.00 H new ATOM 0 HG SER A 38 -0.196 -7.483 8.744 1.00 0.00 H new ATOM 673 N GLU A 39 -0.414 -3.646 7.330 1.00 0.00 N ATOM 674 CA GLU A 39 0.172 -2.873 6.245 1.00 0.00 C ATOM 675 C GLU A 39 -0.192 -1.406 6.474 1.00 0.00 C ATOM 676 O GLU A 39 0.611 -0.501 6.256 1.00 0.00 O ATOM 677 CB GLU A 39 -0.366 -3.354 4.894 1.00 0.00 C ATOM 678 CG GLU A 39 0.557 -3.066 3.720 1.00 0.00 C ATOM 679 CD GLU A 39 1.652 -4.105 3.569 1.00 0.00 C ATOM 680 OE1 GLU A 39 1.340 -5.251 3.175 1.00 0.00 O ATOM 681 OE2 GLU A 39 2.827 -3.787 3.836 1.00 0.00 O ATOM 0 H GLU A 39 -1.182 -4.256 7.050 1.00 0.00 H new ATOM 0 HA GLU A 39 1.255 -2.998 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.544 -4.428 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.330 -2.880 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.030 -3.027 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.010 -2.083 3.851 1.00 0.00 H new ATOM 688 N GLU A 40 -1.416 -1.212 6.959 1.00 0.00 N ATOM 689 CA GLU A 40 -1.943 0.103 7.287 1.00 0.00 C ATOM 690 C GLU A 40 -1.166 0.687 8.462 1.00 0.00 C ATOM 691 O GLU A 40 -0.720 1.833 8.415 1.00 0.00 O ATOM 692 CB GLU A 40 -3.421 -0.018 7.670 1.00 0.00 C ATOM 693 CG GLU A 40 -4.031 1.273 8.202 1.00 0.00 C ATOM 694 CD GLU A 40 -5.358 1.053 8.902 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.727 -0.115 9.140 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.028 2.053 9.235 1.00 0.00 O ATOM 0 H GLU A 40 -2.073 -1.972 7.136 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.842 0.757 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.987 -0.342 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.527 -0.796 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.333 1.740 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.173 1.970 7.376 1.00 0.00 H new ATOM 703 N GLU A 41 -1.032 -0.133 9.510 1.00 0.00 N ATOM 704 CA GLU A 41 -0.335 0.230 10.746 1.00 0.00 C ATOM 705 C GLU A 41 0.886 1.099 10.500 1.00 0.00 C ATOM 706 O GLU A 41 0.924 2.239 10.935 1.00 0.00 O ATOM 707 CB GLU A 41 0.097 -1.027 11.510 1.00 0.00 C ATOM 708 CG GLU A 41 -1.003 -1.646 12.358 1.00 0.00 C ATOM 709 CD GLU A 41 -1.338 -0.820 13.584 1.00 0.00 C ATOM 710 OE1 GLU A 41 -1.757 0.342 13.428 1.00 0.00 O ATOM 711 OE2 GLU A 41 -1.190 -1.338 14.714 1.00 0.00 O ATOM 0 H GLU A 41 -1.410 -1.080 9.522 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.046 0.807 11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.452 -1.770 10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.940 -0.776 12.154 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.900 -1.765 11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.695 -2.644 12.671 1.00 0.00 H new ATOM 718 N LYS A 42 1.883 0.546 9.825 1.00 0.00 N ATOM 719 CA LYS A 42 3.133 1.273 9.554 1.00 0.00 C ATOM 720 C LYS A 42 2.939 2.575 8.766 1.00 0.00 C ATOM 721 O LYS A 42 3.347 3.640 9.229 1.00 0.00 O ATOM 722 CB LYS A 42 4.126 0.373 8.814 1.00 0.00 C ATOM 723 CG LYS A 42 4.944 -0.535 9.719 1.00 0.00 C ATOM 724 CD LYS A 42 5.863 0.272 10.627 1.00 0.00 C ATOM 725 CE LYS A 42 6.885 -0.612 11.328 1.00 0.00 C ATOM 726 NZ LYS A 42 6.252 -1.603 12.238 1.00 0.00 N ATOM 0 H LYS A 42 1.859 -0.403 9.451 1.00 0.00 H new ATOM 0 HA LYS A 42 3.527 1.554 10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.578 -0.243 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.806 1.000 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.275 -1.146 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.538 -1.218 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.381 1.030 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.267 0.799 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.479 -1.138 10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.571 0.014 11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.990 -2.180 12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.706 -1.104 12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.617 -2.220 11.692 1.00 0.00 H new ATOM 740 N VAL A 43 2.342 2.501 7.581 1.00 0.00 N ATOM 741 CA VAL A 43 2.134 3.700 6.756 1.00 0.00 C ATOM 742 C VAL A 43 1.376 4.777 7.545 1.00 0.00 C ATOM 743 O VAL A 43 1.577 5.972 7.344 1.00 0.00 O ATOM 744 CB VAL A 43 1.345 3.361 5.475 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.257 4.565 4.553 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.965 2.176 4.749 1.00 0.00 C ATOM 0 H VAL A 43 1.994 1.636 7.168 1.00 0.00 H new ATOM 0 HA VAL A 43 3.117 4.080 6.478 1.00 0.00 H new ATOM 0 HB VAL A 43 0.333 3.086 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.696 4.298 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.751 5.382 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.261 4.881 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.389 1.958 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.992 2.415 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.959 1.304 5.404 1.00 0.00 H new ATOM 756 N ARG A 44 0.496 4.330 8.433 1.00 0.00 N ATOM 757 CA ARG A 44 -0.314 5.225 9.257 1.00 0.00 C ATOM 758 C ARG A 44 0.409 5.682 10.538 1.00 0.00 C ATOM 759 O ARG A 44 0.236 6.819 10.974 1.00 0.00 O ATOM 760 CB ARG A 44 -1.624 4.513 9.627 1.00 0.00 C ATOM 761 CG ARG A 44 -2.494 5.258 10.626 1.00 0.00 C ATOM 762 CD ARG A 44 -3.674 4.403 11.072 1.00 0.00 C ATOM 763 NE ARG A 44 -4.490 5.063 12.093 1.00 0.00 N ATOM 764 CZ ARG A 44 -4.109 5.274 13.352 1.00 0.00 C ATOM 765 NH1 ARG A 44 -2.950 4.815 13.796 1.00 0.00 N ATOM 766 NH2 ARG A 44 -4.913 5.914 14.181 1.00 0.00 N ATOM 0 H ARG A 44 0.323 3.339 8.603 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.511 6.123 8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.201 4.347 8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.385 3.531 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.897 5.540 11.493 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.859 6.181 10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.297 4.170 10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.304 3.455 11.463 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.419 5.385 11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.336 4.292 13.172 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.671 4.984 14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.822 6.245 13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.625 6.078 15.146 1.00 0.00 H new ATOM 780 N ASN A 45 1.178 4.789 11.169 1.00 0.00 N ATOM 781 CA ASN A 45 1.854 5.111 12.423 1.00 0.00 C ATOM 782 C ASN A 45 3.029 6.066 12.243 1.00 0.00 C ATOM 783 O ASN A 45 3.535 6.626 13.218 1.00 0.00 O ATOM 784 CB ASN A 45 2.262 3.816 13.170 1.00 0.00 C ATOM 785 CG ASN A 45 3.360 2.961 12.535 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.390 1.747 12.728 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.278 3.568 11.816 1.00 0.00 N ATOM 0 H ASN A 45 1.346 3.841 10.831 1.00 0.00 H new ATOM 0 HA ASN A 45 1.138 5.650 13.043 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.586 4.092 14.173 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.373 3.196 13.282 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.040 3.030 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.229 4.577 11.672 1.00 0.00 H new ATOM 794 N GLU A 46 3.466 6.253 11.008 1.00 0.00 N ATOM 795 CA GLU A 46 4.581 7.146 10.739 1.00 0.00 C ATOM 796 C GLU A 46 4.171 8.624 10.909 1.00 0.00 C ATOM 797 O GLU A 46 2.983 8.948 10.944 1.00 0.00 O ATOM 798 CB GLU A 46 5.168 6.868 9.359 1.00 0.00 C ATOM 799 CG GLU A 46 5.877 5.523 9.264 1.00 0.00 C ATOM 800 CD GLU A 46 6.799 5.271 10.447 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.568 6.184 10.808 1.00 0.00 O ATOM 802 OE2 GLU A 46 6.762 4.163 11.015 1.00 0.00 O ATOM 0 H GLU A 46 3.070 5.803 10.183 1.00 0.00 H new ATOM 0 HA GLU A 46 5.362 6.952 11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.369 6.902 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.872 7.660 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.135 4.727 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.455 5.484 8.341 1.00 0.00 H new ATOM 809 N PRO A 47 5.155 9.531 11.089 1.00 0.00 N ATOM 810 CA PRO A 47 4.898 10.966 11.338 1.00 0.00 C ATOM 811 C PRO A 47 4.200 11.731 10.212 1.00 0.00 C ATOM 812 O PRO A 47 3.031 12.098 10.339 1.00 0.00 O ATOM 813 CB PRO A 47 6.296 11.550 11.577 1.00 0.00 C ATOM 814 CG PRO A 47 7.147 10.382 11.928 1.00 0.00 C ATOM 815 CD PRO A 47 6.601 9.230 11.142 1.00 0.00 C ATOM 0 HA PRO A 47 4.200 11.065 12.169 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.669 12.057 10.687 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.284 12.285 12.381 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.191 10.568 11.675 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.110 10.178 12.998 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.040 9.175 10.146 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.799 8.276 11.631 1.00 0.00 H new ATOM 823 N THR A 48 4.918 12.023 9.134 1.00 0.00 N ATOM 824 CA THR A 48 4.355 12.795 8.033 1.00 0.00 C ATOM 825 C THR A 48 4.631 12.131 6.696 1.00 0.00 C ATOM 826 O THR A 48 5.023 10.970 6.662 1.00 0.00 O ATOM 827 CB THR A 48 4.954 14.211 8.006 1.00 0.00 C ATOM 828 OG1 THR A 48 6.386 14.128 8.017 1.00 0.00 O ATOM 829 CG2 THR A 48 4.478 15.033 9.194 1.00 0.00 C ATOM 0 H THR A 48 5.888 11.738 8.999 1.00 0.00 H new ATOM 0 HA THR A 48 3.278 12.847 8.194 1.00 0.00 H new ATOM 0 HB THR A 48 4.620 14.706 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.766 15.031 7.998 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.918 16.029 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.391 15.115 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.783 14.545 10.120 1.00 0.00 H new ATOM 837 N GLN A 49 4.455 12.886 5.600 1.00 0.00 N ATOM 838 CA GLN A 49 4.698 12.392 4.235 1.00 0.00 C ATOM 839 C GLN A 49 6.044 11.675 4.128 1.00 0.00 C ATOM 840 O GLN A 49 6.216 10.787 3.299 1.00 0.00 O ATOM 841 CB GLN A 49 4.669 13.556 3.242 1.00 0.00 C ATOM 842 CG GLN A 49 4.910 13.126 1.804 1.00 0.00 C ATOM 843 CD GLN A 49 5.644 14.173 0.995 1.00 0.00 C ATOM 844 OE1 GLN A 49 5.160 15.291 0.809 1.00 0.00 O ATOM 845 NE2 GLN A 49 6.823 13.815 0.521 1.00 0.00 N ATOM 0 H GLN A 49 4.140 13.856 5.635 1.00 0.00 H new ATOM 0 HA GLN A 49 3.907 11.680 3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.703 14.056 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.426 14.287 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.485 12.200 1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.953 12.911 1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.182 12.877 0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.375 14.476 -0.026 1.00 0.00 H new ATOM 854 N GLN A 50 6.972 12.071 4.982 1.00 0.00 N ATOM 855 CA GLN A 50 8.304 11.492 5.030 1.00 0.00 C ATOM 856 C GLN A 50 8.247 9.973 5.090 1.00 0.00 C ATOM 857 O GLN A 50 8.399 9.294 4.079 1.00 0.00 O ATOM 858 CB GLN A 50 9.054 12.035 6.257 1.00 0.00 C ATOM 859 CG GLN A 50 10.425 11.412 6.477 1.00 0.00 C ATOM 860 CD GLN A 50 10.864 11.482 7.926 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.057 12.563 8.482 1.00 0.00 O ATOM 862 NE2 GLN A 50 11.008 10.328 8.555 1.00 0.00 N ATOM 0 H GLN A 50 6.821 12.810 5.668 1.00 0.00 H new ATOM 0 HA GLN A 50 8.832 11.772 4.118 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.171 13.113 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.444 11.867 7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.404 10.370 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.158 11.923 5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.839 9.453 8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.288 10.313 9.536 1.00 0.00 H new ATOM 871 N GLN A 51 8.043 9.443 6.282 1.00 0.00 N ATOM 872 CA GLN A 51 8.002 8.008 6.461 1.00 0.00 C ATOM 873 C GLN A 51 6.616 7.444 6.152 1.00 0.00 C ATOM 874 O GLN A 51 6.449 6.233 6.083 1.00 0.00 O ATOM 875 CB GLN A 51 8.426 7.652 7.885 1.00 0.00 C ATOM 876 CG GLN A 51 9.177 6.336 7.997 1.00 0.00 C ATOM 877 CD GLN A 51 10.421 6.307 7.136 1.00 0.00 C ATOM 878 OE1 GLN A 51 11.236 7.232 7.167 1.00 0.00 O ATOM 879 NE2 GLN A 51 10.588 5.238 6.379 1.00 0.00 N ATOM 0 H GLN A 51 7.904 9.984 7.136 1.00 0.00 H new ATOM 0 HA GLN A 51 8.700 7.555 5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.055 8.452 8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.539 7.607 8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.454 6.166 9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.518 5.518 7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.889 4.496 6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.416 5.155 5.790 1.00 0.00 H new ATOM 888 N ARG A 52 5.623 8.312 5.954 1.00 0.00 N ATOM 889 CA ARG A 52 4.271 7.831 5.642 1.00 0.00 C ATOM 890 C ARG A 52 4.148 7.517 4.160 1.00 0.00 C ATOM 891 O ARG A 52 3.823 6.394 3.779 1.00 0.00 O ATOM 892 CB ARG A 52 3.173 8.829 6.035 1.00 0.00 C ATOM 893 CG ARG A 52 2.895 8.894 7.528 1.00 0.00 C ATOM 894 CD ARG A 52 1.483 9.391 7.804 1.00 0.00 C ATOM 895 NE ARG A 52 0.471 8.485 7.245 1.00 0.00 N ATOM 896 CZ ARG A 52 -0.843 8.635 7.400 1.00 0.00 C ATOM 897 NH1 ARG A 52 -1.322 9.636 8.120 1.00 0.00 N ATOM 898 NH2 ARG A 52 -1.682 7.754 6.849 1.00 0.00 N ATOM 0 H ARG A 52 5.721 9.326 6.002 1.00 0.00 H new ATOM 0 HA ARG A 52 4.125 6.928 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.458 9.822 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.252 8.562 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.028 7.906 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.616 9.556 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.334 9.485 8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.357 10.386 7.377 1.00 0.00 H new ATOM 0 HE ARG A 52 0.797 7.686 6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.684 10.299 8.560 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.330 9.745 8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.316 6.969 6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.689 7.867 6.966 1.00 0.00 H new ATOM 912 N ALA A 53 4.421 8.509 3.320 1.00 0.00 N ATOM 913 CA ALA A 53 4.348 8.311 1.884 1.00 0.00 C ATOM 914 C ALA A 53 5.419 7.335 1.438 1.00 0.00 C ATOM 915 O ALA A 53 5.135 6.432 0.666 1.00 0.00 O ATOM 916 CB ALA A 53 4.468 9.628 1.126 1.00 0.00 C ATOM 0 H ALA A 53 4.692 9.449 3.609 1.00 0.00 H new ATOM 0 HA ALA A 53 3.369 7.893 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.409 9.438 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.657 10.293 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.424 10.096 1.359 1.00 0.00 H new ATOM 922 N ALA A 54 6.643 7.494 1.942 1.00 0.00 N ATOM 923 CA ALA A 54 7.718 6.580 1.571 1.00 0.00 C ATOM 924 C ALA A 54 7.382 5.154 1.969 1.00 0.00 C ATOM 925 O ALA A 54 7.807 4.216 1.304 1.00 0.00 O ATOM 926 CB ALA A 54 9.035 6.999 2.196 1.00 0.00 C ATOM 0 H ALA A 54 6.910 8.231 2.594 1.00 0.00 H new ATOM 0 HA ALA A 54 7.823 6.623 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.817 6.299 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.297 8.000 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.939 6.999 3.282 1.00 0.00 H new ATOM 932 N MET A 55 6.602 4.984 3.038 1.00 0.00 N ATOM 933 CA MET A 55 6.212 3.658 3.473 1.00 0.00 C ATOM 934 C MET A 55 5.180 3.091 2.503 1.00 0.00 C ATOM 935 O MET A 55 5.136 1.887 2.260 1.00 0.00 O ATOM 936 CB MET A 55 5.675 3.698 4.904 1.00 0.00 C ATOM 937 CG MET A 55 5.440 2.316 5.490 1.00 0.00 C ATOM 938 SD MET A 55 6.936 1.301 5.473 1.00 0.00 S ATOM 939 CE MET A 55 6.271 -0.307 5.906 1.00 0.00 C ATOM 0 H MET A 55 6.235 5.746 3.609 1.00 0.00 H new ATOM 0 HA MET A 55 7.084 3.003 3.473 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.380 4.239 5.535 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.739 4.257 4.919 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.082 2.414 6.515 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.655 1.813 4.925 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.926 -1.088 5.520 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.204 -0.393 6.991 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.278 -0.419 5.471 1.00 0.00 H new ATOM 949 N LEU A 56 4.388 3.973 1.907 1.00 0.00 N ATOM 950 CA LEU A 56 3.396 3.571 0.923 1.00 0.00 C ATOM 951 C LEU A 56 4.118 3.106 -0.345 1.00 0.00 C ATOM 952 O LEU A 56 3.893 1.996 -0.844 1.00 0.00 O ATOM 953 CB LEU A 56 2.478 4.755 0.610 1.00 0.00 C ATOM 954 CG LEU A 56 1.184 4.411 -0.132 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.185 3.760 0.812 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.583 5.656 -0.768 1.00 0.00 C ATOM 0 H LEU A 56 4.415 4.976 2.090 1.00 0.00 H new ATOM 0 HA LEU A 56 2.789 2.754 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.218 5.248 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.036 5.477 0.014 1.00 0.00 H new ATOM 0 HG LEU A 56 1.422 3.702 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.729 3.522 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.613 2.844 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.046 4.446 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.336 5.390 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.361 6.389 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.293 6.081 -1.477 1.00 0.00 H new ATOM 968 N ILE A 57 5.020 3.960 -0.835 1.00 0.00 N ATOM 969 CA ILE A 57 5.825 3.655 -2.028 1.00 0.00 C ATOM 970 C ILE A 57 6.690 2.415 -1.746 1.00 0.00 C ATOM 971 O ILE A 57 7.012 1.638 -2.648 1.00 0.00 O ATOM 972 CB ILE A 57 6.755 4.856 -2.404 1.00 0.00 C ATOM 973 CG1 ILE A 57 6.108 6.183 -2.020 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.076 4.892 -3.905 1.00 0.00 C ATOM 975 CD1 ILE A 57 7.085 7.345 -1.990 1.00 0.00 C ATOM 0 H ILE A 57 5.214 4.873 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 57 5.150 3.468 -2.863 1.00 0.00 H new ATOM 0 HB ILE A 57 7.681 4.712 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.310 6.408 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.645 6.082 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.724 5.742 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.582 3.970 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.151 4.990 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.557 8.257 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.870 7.142 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.530 7.472 -2.977 1.00 0.00 H new ATOM 987 N LYS A 58 7.050 2.242 -0.473 1.00 0.00 N ATOM 988 CA LYS A 58 7.869 1.115 -0.028 1.00 0.00 C ATOM 989 C LYS A 58 7.085 -0.198 -0.082 1.00 0.00 C ATOM 990 O LYS A 58 7.630 -1.221 -0.496 1.00 0.00 O ATOM 991 CB LYS A 58 8.404 1.377 1.385 1.00 0.00 C ATOM 992 CG LYS A 58 9.205 0.230 1.981 1.00 0.00 C ATOM 993 CD LYS A 58 10.420 -0.114 1.131 1.00 0.00 C ATOM 994 CE LYS A 58 11.419 -0.954 1.912 1.00 0.00 C ATOM 995 NZ LYS A 58 12.065 -0.169 2.994 1.00 0.00 N ATOM 0 H LYS A 58 6.782 2.879 0.277 1.00 0.00 H new ATOM 0 HA LYS A 58 8.715 1.017 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.032 2.268 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.563 1.596 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.529 0.497 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.567 -0.649 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.102 -0.657 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.900 0.803 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.912 -1.818 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.182 -1.337 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.951 -0.633 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.272 0.791 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.425 -0.114 3.812 1.00 0.00 H new ATOM 1009 N MET A 59 5.804 -0.175 0.311 1.00 0.00 N ATOM 1010 CA MET A 59 4.981 -1.393 0.257 1.00 0.00 C ATOM 1011 C MET A 59 4.979 -1.927 -1.159 1.00 0.00 C ATOM 1012 O MET A 59 5.256 -3.096 -1.403 1.00 0.00 O ATOM 1013 CB MET A 59 3.525 -1.136 0.627 1.00 0.00 C ATOM 1014 CG MET A 59 3.292 -0.447 1.947 1.00 0.00 C ATOM 1015 SD MET A 59 1.539 -0.118 2.197 1.00 0.00 S ATOM 1016 CE MET A 59 1.081 0.465 0.560 1.00 0.00 C ATOM 0 H MET A 59 5.323 0.653 0.662 1.00 0.00 H new ATOM 0 HA MET A 59 5.413 -2.094 0.971 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.071 -0.534 -0.160 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.000 -2.091 0.640 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.669 -1.069 2.759 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.850 0.489 1.977 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.154 1.034 0.623 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.872 1.103 0.166 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.939 -0.388 -0.103 1.00 0.00 H new ATOM 1026 N ILE A 60 4.648 -1.029 -2.080 1.00 0.00 N ATOM 1027 CA ILE A 60 4.578 -1.336 -3.504 1.00 0.00 C ATOM 1028 C ILE A 60 5.896 -1.911 -4.020 1.00 0.00 C ATOM 1029 O ILE A 60 5.901 -2.819 -4.852 1.00 0.00 O ATOM 1030 CB ILE A 60 4.216 -0.065 -4.281 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.939 0.535 -3.701 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.035 -0.364 -5.763 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.727 1.961 -4.113 1.00 0.00 C ATOM 0 H ILE A 60 4.419 -0.060 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 60 3.808 -2.093 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 60 5.032 0.651 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.085 -0.062 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.978 0.478 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.779 0.555 -6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.962 -0.769 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.234 -1.092 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.803 2.334 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.565 2.567 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.658 2.019 -5.199 1.00 0.00 H new ATOM 1045 N LEU A 61 7.008 -1.396 -3.503 1.00 0.00 N ATOM 1046 CA LEU A 61 8.330 -1.879 -3.891 1.00 0.00 C ATOM 1047 C LEU A 61 8.450 -3.379 -3.653 1.00 0.00 C ATOM 1048 O LEU A 61 9.139 -4.088 -4.395 1.00 0.00 O ATOM 1049 CB LEU A 61 9.426 -1.144 -3.117 1.00 0.00 C ATOM 1050 CG LEU A 61 10.009 0.070 -3.826 1.00 0.00 C ATOM 1051 CD1 LEU A 61 10.916 0.845 -2.886 1.00 0.00 C ATOM 1052 CD2 LEU A 61 10.769 -0.367 -5.069 1.00 0.00 C ATOM 0 H LEU A 61 7.020 -0.644 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 61 8.457 -1.680 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.021 -0.825 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.233 -1.845 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 61 9.194 0.726 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.326 1.710 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.343 1.180 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.731 0.202 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.182 0.509 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.579 -1.038 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.091 -0.886 -5.747 1.00 0.00 H new ATOM 1064 N LYS A 62 7.761 -3.868 -2.628 1.00 0.00 N ATOM 1065 CA LYS A 62 7.786 -5.284 -2.321 1.00 0.00 C ATOM 1066 C LYS A 62 6.394 -5.895 -2.497 1.00 0.00 C ATOM 1067 O LYS A 62 5.995 -6.800 -1.757 1.00 0.00 O ATOM 1068 CB LYS A 62 8.297 -5.499 -0.895 1.00 0.00 C ATOM 1069 CG LYS A 62 9.365 -6.578 -0.790 1.00 0.00 C ATOM 1070 CD LYS A 62 8.790 -7.975 -0.965 1.00 0.00 C ATOM 1071 CE LYS A 62 9.889 -9.012 -1.151 1.00 0.00 C ATOM 1072 NZ LYS A 62 10.521 -8.906 -2.492 1.00 0.00 N ATOM 0 H LYS A 62 7.184 -3.306 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 62 8.464 -5.784 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.702 -4.560 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.458 -5.766 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.130 -6.404 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.856 -6.508 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.188 -8.234 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.124 -7.990 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.648 -8.881 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.473 -10.011 -1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.101 -9.750 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.781 -8.835 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.123 -8.059 -2.526 1.00 0.00 H new ATOM 1086 N LYS A 63 5.668 -5.419 -3.504 1.00 0.00 N ATOM 1087 CA LYS A 63 4.353 -5.942 -3.810 1.00 0.00 C ATOM 1088 C LYS A 63 4.331 -6.401 -5.265 1.00 0.00 C ATOM 1089 O LYS A 63 5.381 -6.590 -5.870 1.00 0.00 O ATOM 1090 CB LYS A 63 3.249 -4.909 -3.529 1.00 0.00 C ATOM 1091 CG LYS A 63 2.777 -4.898 -2.075 1.00 0.00 C ATOM 1092 CD LYS A 63 2.227 -6.256 -1.662 1.00 0.00 C ATOM 1093 CE LYS A 63 1.554 -6.220 -0.289 1.00 0.00 C ATOM 1094 NZ LYS A 63 2.524 -6.073 0.836 1.00 0.00 N ATOM 0 H LYS A 63 5.976 -4.668 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 63 4.149 -6.793 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.616 -3.917 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.397 -5.115 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.607 -4.626 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.007 -4.137 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.508 -6.595 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.038 -6.984 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.845 -5.392 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.980 -7.136 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.060 -5.595 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.851 -7.013 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.338 -5.508 0.521 1.00 0.00 H new ATOM 1108 N ASP A 64 3.152 -6.599 -5.809 1.00 0.00 N ATOM 1109 CA ASP A 64 3.014 -7.072 -7.184 1.00 0.00 C ATOM 1110 C ASP A 64 2.044 -6.210 -7.962 1.00 0.00 C ATOM 1111 O ASP A 64 1.480 -5.259 -7.421 1.00 0.00 O ATOM 1112 CB ASP A 64 2.552 -8.524 -7.184 1.00 0.00 C ATOM 1113 CG ASP A 64 1.136 -8.667 -6.686 1.00 0.00 C ATOM 1114 OD1 ASP A 64 0.848 -8.202 -5.563 1.00 0.00 O ATOM 1115 OD2 ASP A 64 0.310 -9.241 -7.413 1.00 0.00 O ATOM 0 H ASP A 64 2.268 -6.442 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 64 3.986 -7.004 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.623 -8.927 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.218 -9.116 -6.557 1.00 0.00 H new ATOM 1120 N ASN A 65 1.864 -6.536 -9.240 1.00 0.00 N ATOM 1121 CA ASN A 65 0.976 -5.766 -10.101 1.00 0.00 C ATOM 1122 C ASN A 65 -0.455 -5.798 -9.621 1.00 0.00 C ATOM 1123 O ASN A 65 -1.219 -4.899 -9.936 1.00 0.00 O ATOM 1124 CB ASN A 65 1.047 -6.198 -11.570 1.00 0.00 C ATOM 1125 CG ASN A 65 1.075 -7.697 -11.776 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.233 -8.432 -11.265 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.049 -8.146 -12.545 1.00 0.00 N ATOM 0 H ASN A 65 2.320 -7.325 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 65 1.337 -4.739 -10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.188 -5.786 -12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.939 -5.764 -12.022 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.127 -9.144 -12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.724 -7.495 -12.946 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.830 -6.793 -8.847 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.189 -6.833 -8.345 1.00 0.00 C ATOM 1136 C ASP A 66 -2.409 -5.624 -7.435 1.00 0.00 C ATOM 1137 O ASP A 66 -3.383 -4.881 -7.588 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.470 -8.132 -7.593 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.942 -8.491 -7.583 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.747 -7.738 -8.167 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.299 -9.543 -7.017 1.00 0.00 O ATOM 0 H ASP A 66 -0.232 -7.567 -8.557 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.881 -6.796 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.905 -8.943 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.116 -8.038 -6.567 1.00 0.00 H new ATOM 1146 N SER A 67 -1.468 -5.392 -6.519 1.00 0.00 N ATOM 1147 CA SER A 67 -1.562 -4.241 -5.626 1.00 0.00 C ATOM 1148 C SER A 67 -1.139 -2.981 -6.349 1.00 0.00 C ATOM 1149 O SER A 67 -1.610 -1.894 -6.049 1.00 0.00 O ATOM 1150 CB SER A 67 -0.654 -4.391 -4.421 1.00 0.00 C ATOM 1151 OG SER A 67 -0.409 -5.754 -4.110 1.00 0.00 O ATOM 0 H SER A 67 -0.644 -5.977 -6.378 1.00 0.00 H new ATOM 0 HA SER A 67 -2.601 -4.181 -5.301 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.293 -3.887 -4.615 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.107 -3.898 -3.561 1.00 0.00 H new ATOM 0 HG SER A 67 -0.418 -5.874 -3.137 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.222 -3.143 -7.284 1.00 0.00 N ATOM 1158 CA TYR A 68 0.306 -2.032 -8.052 1.00 0.00 C ATOM 1159 C TYR A 68 -0.774 -1.438 -8.941 1.00 0.00 C ATOM 1160 O TYR A 68 -0.928 -0.223 -8.996 1.00 0.00 O ATOM 1161 CB TYR A 68 1.511 -2.503 -8.863 1.00 0.00 C ATOM 1162 CG TYR A 68 2.035 -1.511 -9.866 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.219 -0.170 -9.547 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.366 -1.935 -11.137 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.715 0.711 -10.478 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.864 -1.063 -12.062 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.038 0.255 -11.733 1.00 0.00 C ATOM 1168 OH TYR A 68 3.537 1.117 -12.664 1.00 0.00 O ATOM 0 H TYR A 68 0.178 -4.048 -7.532 1.00 0.00 H new ATOM 0 HA TYR A 68 0.635 -1.243 -7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.316 -2.758 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.240 -3.418 -9.389 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.970 0.183 -8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.229 -2.972 -11.404 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.850 1.752 -10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.120 -1.412 -13.051 1.00 0.00 H new ATOM 0 HH TYR A 68 3.137 0.923 -13.537 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.553 -2.290 -9.598 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.641 -1.798 -10.428 1.00 0.00 C ATOM 1180 C VAL A 69 -3.740 -1.263 -9.506 1.00 0.00 C ATOM 1181 O VAL A 69 -4.468 -0.342 -9.863 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.196 -2.861 -11.410 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.280 -2.261 -12.294 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.080 -3.406 -12.285 1.00 0.00 C ATOM 0 H VAL A 69 -1.454 -3.305 -9.573 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.254 -1.002 -11.064 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.624 -3.672 -10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.657 -3.023 -12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.097 -1.896 -11.671 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.864 -1.433 -12.869 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.485 -4.151 -12.969 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.636 -2.592 -12.857 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.317 -3.867 -11.657 1.00 0.00 H new ATOM 1194 N SER A 70 -3.803 -1.803 -8.282 1.00 0.00 N ATOM 1195 CA SER A 70 -4.756 -1.318 -7.287 1.00 0.00 C ATOM 1196 C SER A 70 -4.313 0.084 -6.859 1.00 0.00 C ATOM 1197 O SER A 70 -5.109 1.024 -6.871 1.00 0.00 O ATOM 1198 CB SER A 70 -4.815 -2.259 -6.086 1.00 0.00 C ATOM 1199 OG SER A 70 -5.771 -1.823 -5.140 1.00 0.00 O ATOM 0 H SER A 70 -3.209 -2.569 -7.963 1.00 0.00 H new ATOM 0 HA SER A 70 -5.758 -1.282 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.065 -3.266 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.833 -2.314 -5.616 1.00 0.00 H new ATOM 0 HG SER A 70 -6.025 -2.573 -4.562 1.00 0.00 H new ATOM 1205 N PHE A 71 -3.015 0.228 -6.531 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.454 1.538 -6.172 1.00 0.00 C ATOM 1207 C PHE A 71 -2.678 2.501 -7.347 1.00 0.00 C ATOM 1208 O PHE A 71 -3.046 3.657 -7.160 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.951 1.423 -5.835 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.207 2.735 -5.844 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.460 3.707 -4.885 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.756 2.989 -6.811 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.236 4.902 -4.894 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.452 4.183 -6.823 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.192 5.139 -5.862 1.00 0.00 C ATOM 0 H PHE A 71 -2.344 -0.540 -6.508 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.955 1.919 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.846 0.967 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.481 0.748 -6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.207 3.528 -4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.964 2.243 -7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.032 5.651 -4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.197 4.368 -7.582 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.736 6.072 -5.867 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.493 1.973 -8.562 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.717 2.722 -9.807 1.00 0.00 C ATOM 1227 C TYR A 72 -4.155 3.247 -9.834 1.00 0.00 C ATOM 1228 O TYR A 72 -4.412 4.417 -10.115 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.478 1.778 -10.989 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.836 2.332 -12.354 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.006 3.234 -13.003 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -3.995 1.924 -13.006 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.324 3.719 -14.258 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.317 2.404 -14.264 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.476 3.305 -14.885 1.00 0.00 C ATOM 1236 OH TYR A 72 -3.780 3.788 -16.142 1.00 0.00 O ATOM 0 H TYR A 72 -2.183 1.013 -8.712 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.034 3.569 -9.869 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.426 1.494 -10.997 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.053 0.867 -10.825 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.097 3.563 -12.521 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.656 1.220 -12.522 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.667 4.424 -14.746 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.220 2.076 -14.756 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.626 3.398 -16.447 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.070 2.346 -9.512 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.508 2.622 -9.449 1.00 0.00 C ATOM 1248 C ASN A 73 -6.800 3.734 -8.441 1.00 0.00 C ATOM 1249 O ASN A 73 -7.668 4.576 -8.663 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.220 1.333 -9.027 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.731 1.371 -9.138 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.402 2.256 -8.600 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.273 0.381 -9.820 1.00 0.00 N ATOM 0 H ASN A 73 -4.835 1.381 -9.281 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.864 2.953 -10.425 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.846 0.512 -9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.952 1.109 -7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.287 0.325 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.679 -0.329 -10.248 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.068 3.731 -7.334 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.245 4.736 -6.295 1.00 0.00 C ATOM 1262 C ALA A 74 -5.832 6.116 -6.794 1.00 0.00 C ATOM 1263 O ALA A 74 -6.435 7.125 -6.430 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.452 4.354 -5.065 1.00 0.00 C ATOM 0 H ALA A 74 -5.344 3.041 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.302 4.779 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.590 5.111 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.799 3.390 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.395 4.285 -5.321 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.819 6.145 -7.655 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.336 7.395 -8.240 1.00 0.00 C ATOM 1272 C LEU A 75 -5.421 7.994 -9.127 1.00 0.00 C ATOM 1273 O LEU A 75 -5.580 9.212 -9.201 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.062 7.152 -9.058 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.874 6.601 -8.271 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.757 6.186 -9.213 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.368 7.635 -7.281 1.00 0.00 C ATOM 0 H LEU A 75 -4.314 5.315 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.099 8.092 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.295 6.457 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.764 8.092 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.207 5.722 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.081 5.796 -8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.121 5.414 -9.891 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.428 7.050 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.522 7.226 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.053 8.529 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.166 7.893 -6.584 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.180 7.119 -9.787 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.266 7.553 -10.653 1.00 0.00 C ATOM 1291 C LEU A 76 -8.510 7.880 -9.833 1.00 0.00 C ATOM 1292 O LEU A 76 -9.414 8.568 -10.310 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.600 6.484 -11.701 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.735 6.508 -12.963 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.360 5.946 -12.686 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.407 5.740 -14.084 1.00 0.00 C ATOM 0 H LEU A 76 -6.060 6.107 -9.736 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.935 8.453 -11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.507 5.502 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.643 6.600 -11.994 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.621 7.546 -13.275 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.765 5.974 -13.599 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.871 6.543 -11.916 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.450 4.915 -12.344 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.777 5.768 -14.973 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.556 4.705 -13.777 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.372 6.194 -14.309 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.551 7.397 -8.595 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.687 7.672 -7.728 1.00 0.00 C ATOM 1310 C HIS A 77 -9.608 9.111 -7.249 1.00 0.00 C ATOM 1311 O HIS A 77 -10.609 9.824 -7.216 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.750 6.719 -6.526 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.138 6.194 -6.290 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -12.214 7.013 -6.030 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.628 4.929 -6.303 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.304 6.280 -5.895 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -12.979 5.013 -6.057 1.00 0.00 N ATOM 0 H HIS A 77 -7.821 6.821 -8.176 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.597 7.513 -8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.070 5.883 -6.691 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.404 7.240 -5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.063 4.025 -6.474 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.295 6.655 -5.687 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -13.624 4.224 -6.008 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.400 9.540 -6.908 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.180 10.903 -6.462 1.00 0.00 C ATOM 1328 C GLU A 78 -7.697 11.756 -7.641 1.00 0.00 C ATOM 1329 O GLU A 78 -8.219 11.624 -8.749 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.203 10.932 -5.277 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.666 10.095 -4.094 1.00 0.00 C ATOM 1332 CD GLU A 78 -9.086 10.413 -3.665 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.370 11.583 -3.341 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.923 9.488 -3.634 1.00 0.00 O ATOM 0 H GLU A 78 -7.560 8.962 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.117 11.330 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.229 10.572 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.067 11.964 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.598 9.039 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.992 10.260 -3.253 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.731 12.640 -7.420 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.268 13.488 -8.505 1.00 0.00 C ATOM 1343 C GLY A 79 -4.811 13.284 -8.894 1.00 0.00 C ATOM 1344 O GLY A 79 -4.049 14.248 -8.941 1.00 0.00 O ATOM 0 H GLY A 79 -6.265 12.785 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.892 13.308 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.411 14.530 -8.220 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.422 12.047 -9.192 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.044 11.760 -9.599 1.00 0.00 C ATOM 1350 C TYR A 80 -3.024 10.816 -10.798 1.00 0.00 C ATOM 1351 O TYR A 80 -2.285 9.822 -10.839 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.238 11.194 -8.425 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.096 12.180 -7.286 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.155 13.195 -7.349 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -2.917 12.115 -6.165 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.026 14.111 -6.328 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -2.798 13.033 -5.142 1.00 0.00 C ATOM 1358 CZ TYR A 80 -1.849 14.027 -5.229 1.00 0.00 C ATOM 1359 OH TYR A 80 -1.731 14.946 -4.217 1.00 0.00 O ATOM 0 H TYR A 80 -5.034 11.231 -9.161 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.571 12.694 -9.903 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.723 10.289 -8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.247 10.905 -8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.512 13.269 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.659 11.334 -6.094 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.282 14.891 -6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.445 12.972 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.483 14.847 -3.596 1.00 0.00 H new ATOM 1369 N LYS A 81 -3.859 11.148 -11.771 1.00 0.00 N ATOM 1370 CA LYS A 81 -3.996 10.371 -12.991 1.00 0.00 C ATOM 1371 C LYS A 81 -2.765 10.535 -13.887 1.00 0.00 C ATOM 1372 O LYS A 81 -2.513 9.712 -14.764 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.266 10.818 -13.723 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.878 9.771 -14.636 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.336 10.102 -14.933 1.00 0.00 C ATOM 1376 CE LYS A 81 -8.174 10.124 -13.662 1.00 0.00 C ATOM 1377 NZ LYS A 81 -9.561 10.608 -13.907 1.00 0.00 N ATOM 0 H LYS A 81 -4.463 11.969 -11.735 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.075 9.314 -12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.010 11.113 -12.983 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.035 11.704 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.314 9.719 -15.568 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.811 8.789 -14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.397 11.072 -15.427 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.743 9.366 -15.626 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.211 9.121 -13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.693 10.765 -12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.093 10.605 -13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.529 11.575 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.031 9.982 -14.591 1.00 0.00 H new ATOM 1391 N ASP A 82 -1.993 11.600 -13.659 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.785 11.856 -14.450 1.00 0.00 C ATOM 1393 C ASP A 82 0.319 10.879 -14.080 1.00 0.00 C ATOM 1394 O ASP A 82 0.913 10.246 -14.957 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.290 13.295 -14.252 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.121 14.320 -14.997 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.067 13.928 -15.709 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -0.818 15.528 -14.883 1.00 0.00 O ATOM 0 H ASP A 82 -2.180 12.296 -12.937 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.044 11.717 -15.500 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.300 13.533 -13.188 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.746 13.365 -14.585 1.00 0.00 H new ATOM 1403 N LEU A 83 0.576 10.746 -12.783 1.00 0.00 N ATOM 1404 CA LEU A 83 1.601 9.823 -12.308 1.00 0.00 C ATOM 1405 C LEU A 83 1.237 8.421 -12.761 1.00 0.00 C ATOM 1406 O LEU A 83 2.061 7.694 -13.300 1.00 0.00 O ATOM 1407 CB LEU A 83 1.710 9.869 -10.779 1.00 0.00 C ATOM 1408 CG LEU A 83 3.129 9.732 -10.189 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.837 8.468 -10.668 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.976 10.951 -10.523 1.00 0.00 C ATOM 0 H LEU A 83 0.093 11.261 -12.047 1.00 0.00 H new ATOM 0 HA LEU A 83 2.567 10.112 -12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.286 10.812 -10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.090 9.072 -10.368 1.00 0.00 H new ATOM 0 HG LEU A 83 3.010 9.659 -9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.832 8.418 -10.225 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.261 7.592 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.925 8.489 -11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.972 10.830 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.055 11.054 -11.605 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.509 11.844 -10.107 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.027 8.073 -12.562 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.544 6.773 -12.974 1.00 0.00 C ATOM 1424 C ALA A 84 -0.358 6.564 -14.480 1.00 0.00 C ATOM 1425 O ALA A 84 0.035 5.482 -14.912 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.011 6.651 -12.601 1.00 0.00 C ATOM 0 H ALA A 84 -0.718 8.676 -12.115 1.00 0.00 H new ATOM 0 HA ALA A 84 0.018 5.999 -12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.386 5.676 -12.914 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.122 6.753 -11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.580 7.436 -13.100 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.618 7.600 -15.278 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.451 7.503 -16.728 1.00 0.00 C ATOM 1434 C ALA A 85 1.002 7.209 -17.078 1.00 0.00 C ATOM 1435 O ALA A 85 1.288 6.457 -18.006 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.922 8.777 -17.409 1.00 0.00 C ATOM 0 H ALA A 85 -0.943 8.509 -14.948 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.065 6.678 -17.091 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.789 8.684 -18.487 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.976 8.940 -17.186 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.339 9.622 -17.043 1.00 0.00 H new ATOM 1442 N LEU A 86 1.917 7.776 -16.297 1.00 0.00 N ATOM 1443 CA LEU A 86 3.344 7.533 -16.502 1.00 0.00 C ATOM 1444 C LEU A 86 3.664 6.052 -16.285 1.00 0.00 C ATOM 1445 O LEU A 86 4.629 5.526 -16.824 1.00 0.00 O ATOM 1446 CB LEU A 86 4.174 8.386 -15.532 1.00 0.00 C ATOM 1447 CG LEU A 86 4.181 9.883 -15.812 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.777 10.636 -14.633 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.964 10.170 -17.075 1.00 0.00 C ATOM 0 H LEU A 86 1.700 8.402 -15.522 1.00 0.00 H new ATOM 0 HA LEU A 86 3.598 7.808 -17.526 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.797 8.225 -14.522 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.203 8.027 -15.550 1.00 0.00 H new ATOM 0 HG LEU A 86 3.155 10.221 -15.953 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.776 11.705 -14.846 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.182 10.443 -13.740 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.800 10.300 -14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.964 11.243 -17.267 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.990 9.823 -16.954 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.503 9.651 -17.915 1.00 0.00 H new ATOM 1461 N LEU A 87 2.842 5.403 -15.476 1.00 0.00 N ATOM 1462 CA LEU A 87 3.012 3.993 -15.139 1.00 0.00 C ATOM 1463 C LEU A 87 2.125 3.098 -15.996 1.00 0.00 C ATOM 1464 O LEU A 87 2.276 1.877 -15.986 1.00 0.00 O ATOM 1465 CB LEU A 87 2.634 3.772 -13.684 1.00 0.00 C ATOM 1466 CG LEU A 87 3.649 4.196 -12.618 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.153 5.609 -12.849 1.00 0.00 C ATOM 1468 CD2 LEU A 87 3.014 4.087 -11.240 1.00 0.00 C ATOM 0 H LEU A 87 2.034 5.838 -15.031 1.00 0.00 H new ATOM 0 HA LEU A 87 4.056 3.736 -15.320 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.703 4.306 -13.493 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.426 2.711 -13.548 1.00 0.00 H new ATOM 0 HG LEU A 87 4.507 3.528 -12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.871 5.871 -12.071 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.637 5.668 -13.824 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.314 6.304 -12.818 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.736 4.389 -10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.141 4.738 -11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.709 3.056 -11.061 1.00 0.00 H new ATOM 1480 N HIS A 88 1.189 3.710 -16.713 1.00 0.00 N ATOM 1481 CA HIS A 88 0.250 2.983 -17.564 1.00 0.00 C ATOM 1482 C HIS A 88 1.009 2.156 -18.591 1.00 0.00 C ATOM 1483 O HIS A 88 0.522 1.131 -19.065 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.685 3.964 -18.272 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.897 3.330 -18.878 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.693 3.961 -19.806 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.456 2.115 -18.670 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.687 3.161 -20.145 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.567 2.033 -19.471 1.00 0.00 N ATOM 0 H HIS A 88 1.059 4.722 -16.722 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.345 2.315 -16.941 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.005 4.723 -17.558 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.128 4.478 -19.055 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.094 1.351 -17.998 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.468 3.391 -20.855 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.196 1.233 -19.535 1.00 0.00 H new ATOM 1498 N ASP A 89 2.212 2.608 -18.901 1.00 0.00 N ATOM 1499 CA ASP A 89 3.089 1.921 -19.849 1.00 0.00 C ATOM 1500 C ASP A 89 3.366 0.494 -19.372 1.00 0.00 C ATOM 1501 O ASP A 89 3.543 -0.424 -20.175 1.00 0.00 O ATOM 1502 CB ASP A 89 4.401 2.711 -20.000 1.00 0.00 C ATOM 1503 CG ASP A 89 5.406 2.076 -20.955 1.00 0.00 C ATOM 1504 OD1 ASP A 89 6.064 1.083 -20.577 1.00 0.00 O ATOM 1505 OD2 ASP A 89 5.553 2.579 -22.088 1.00 0.00 O ATOM 0 H ASP A 89 2.613 3.459 -18.507 1.00 0.00 H new ATOM 0 HA ASP A 89 2.599 1.864 -20.821 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.168 3.716 -20.351 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.864 2.815 -19.019 1.00 0.00 H new ATOM 1510 N GLY A 90 3.384 0.319 -18.055 1.00 0.00 N ATOM 1511 CA GLY A 90 3.625 -0.982 -17.467 1.00 0.00 C ATOM 1512 C GLY A 90 2.337 -1.700 -17.087 1.00 0.00 C ATOM 1513 O GLY A 90 2.312 -2.928 -16.964 1.00 0.00 O ATOM 0 H GLY A 90 3.234 1.067 -17.378 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.185 -1.597 -18.171 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.247 -0.866 -16.580 1.00 0.00 H new ATOM 1517 N ILE A 91 1.271 -0.931 -16.880 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.023 -1.489 -16.496 1.00 0.00 C ATOM 1519 C ILE A 91 -0.685 -2.191 -17.688 1.00 0.00 C ATOM 1520 O ILE A 91 -0.819 -1.606 -18.764 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.959 -0.387 -15.939 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.272 0.372 -14.792 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.274 -0.981 -15.463 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.207 -0.512 -13.665 1.00 0.00 C ATOM 0 H ILE A 91 1.278 0.085 -16.972 1.00 0.00 H new ATOM 0 HA ILE A 91 0.150 -2.223 -15.709 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.173 0.314 -16.746 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.579 0.923 -15.194 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.968 1.109 -14.391 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.913 -0.187 -15.077 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.773 -1.475 -16.297 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.081 -1.707 -14.674 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.679 0.101 -12.897 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.641 -1.044 -13.234 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.929 -1.232 -14.049 1.00 0.00 H new ATOM 1536 N PRO A 92 -1.098 -3.463 -17.512 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.728 -4.259 -18.570 1.00 0.00 C ATOM 1538 C PRO A 92 -3.236 -4.017 -18.697 1.00 0.00 C ATOM 1539 O PRO A 92 -4.003 -4.941 -18.973 1.00 0.00 O ATOM 1540 CB PRO A 92 -1.462 -5.711 -18.141 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.873 -5.658 -16.760 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.968 -4.238 -16.275 1.00 0.00 C ATOM 0 HA PRO A 92 -1.322 -3.999 -19.548 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.386 -6.290 -18.145 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.777 -6.199 -18.834 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.411 -6.328 -16.089 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.166 -5.988 -16.775 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.827 -4.094 -15.619 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.083 -3.947 -15.710 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.655 -2.776 -18.516 1.00 0.00 N ATOM 1551 CA VAL A 93 -5.062 -2.426 -18.633 1.00 0.00 C ATOM 1552 C VAL A 93 -5.253 -1.453 -19.787 1.00 0.00 C ATOM 1553 O VAL A 93 -4.760 -0.324 -19.746 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.620 -1.806 -17.332 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -7.107 -1.504 -17.472 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -5.380 -2.729 -16.146 1.00 0.00 C ATOM 0 H VAL A 93 -3.042 -1.994 -18.287 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.615 -3.346 -18.821 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.091 -0.870 -17.153 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.479 -1.068 -16.545 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.260 -0.800 -18.290 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.648 -2.427 -17.681 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.781 -2.271 -15.242 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.877 -3.683 -16.321 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.310 -2.895 -16.025 1.00 0.00 H new ATOM 1566 N VAL A 94 -5.946 -1.898 -20.825 1.00 0.00 N ATOM 1567 CA VAL A 94 -6.180 -1.070 -22.003 1.00 0.00 C ATOM 1568 C VAL A 94 -7.657 -0.709 -22.159 1.00 0.00 C ATOM 1569 O VAL A 94 -8.261 -0.925 -23.215 1.00 0.00 O ATOM 1570 CB VAL A 94 -5.674 -1.765 -23.287 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -4.156 -1.739 -23.338 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -6.180 -3.200 -23.369 1.00 0.00 C ATOM 0 H VAL A 94 -6.358 -2.830 -20.877 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.616 -0.149 -21.855 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.066 -1.218 -24.144 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.814 -2.232 -24.248 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.809 -0.706 -23.333 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.754 -2.261 -22.470 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.809 -3.665 -24.282 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.824 -3.761 -22.505 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.270 -3.201 -23.378 1.00 0.00 H new ATOM 1582 N SER A 95 -8.236 -0.143 -21.110 1.00 0.00 N ATOM 1583 CA SER A 95 -9.638 0.261 -21.133 1.00 0.00 C ATOM 1584 C SER A 95 -9.760 1.777 -20.979 1.00 0.00 C ATOM 1585 O SER A 95 -10.704 2.288 -20.366 1.00 0.00 O ATOM 1586 CB SER A 95 -10.417 -0.457 -20.022 1.00 0.00 C ATOM 1587 OG SER A 95 -10.354 -1.865 -20.185 1.00 0.00 O ATOM 0 H SER A 95 -7.757 0.048 -20.230 1.00 0.00 H new ATOM 0 HA SER A 95 -10.066 -0.022 -22.095 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.008 -0.181 -19.050 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.457 -0.132 -20.034 1.00 0.00 H new ATOM 0 HG SER A 95 -10.856 -2.300 -19.465 1.00 0.00 H new ATOM 1593 N SER A 96 -8.799 2.501 -21.535 1.00 0.00 N ATOM 1594 CA SER A 96 -8.794 3.954 -21.457 1.00 0.00 C ATOM 1595 C SER A 96 -9.102 4.587 -22.813 1.00 0.00 C ATOM 1596 O SER A 96 -8.329 4.460 -23.765 1.00 0.00 O ATOM 1597 CB SER A 96 -7.437 4.439 -20.935 1.00 0.00 C ATOM 1598 OG SER A 96 -6.370 3.759 -21.578 1.00 0.00 O ATOM 0 H SER A 96 -8.011 2.104 -22.046 1.00 0.00 H new ATOM 0 HA SER A 96 -9.578 4.263 -20.765 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.342 5.512 -21.102 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.379 4.278 -19.859 1.00 0.00 H new ATOM 0 HG SER A 96 -6.552 3.699 -22.539 1.00 0.00 H new ATOM 1604 N SER A 97 -10.233 5.268 -22.885 1.00 0.00 N ATOM 1605 CA SER A 97 -10.649 5.932 -24.109 1.00 0.00 C ATOM 1606 C SER A 97 -10.759 7.433 -23.866 1.00 0.00 C ATOM 1607 O SER A 97 -10.888 7.825 -22.683 1.00 0.00 O ATOM 1608 CB SER A 97 -11.992 5.379 -24.579 1.00 0.00 C ATOM 1609 OG SER A 97 -11.969 3.960 -24.617 1.00 0.00 O ATOM 1610 OXT SER A 97 -10.705 8.211 -24.839 1.00 0.00 O ATOM 0 H SER A 97 -10.883 5.376 -22.106 1.00 0.00 H new ATOM 0 HA SER A 97 -9.905 5.747 -24.884 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.783 5.716 -23.910 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.224 5.770 -25.570 1.00 0.00 H new ATOM 0 HG SER A 97 -12.840 3.627 -24.919 1.00 0.00 H new TER 1616 SER A 97