USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 44 SER OG : rot 165:sc= 0.869! USER MOD Set 1.2: A 49 TYR OH : rot -101:sc= 0.797 USER MOD Set 2.1: A 34 MET CE :methyl -126:sc= -4.05! (180deg=-7.36!) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -1.02 F(o=-7.1,f=-5.1) USER MOD Set 3.1: A 1 MET N :NH3+ 139:sc= 1.1 (180deg=-0.682) USER MOD Set 3.2: A 13 GLN : amide:sc= -2.82! C(o=-1.7!,f=-15!) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.416 (180deg=-1.24) USER MOD Single : A 3 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.324) USER MOD Single : A 9 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.8!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.851 K(o=-0.85,f=-5.6!) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 0.0394 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.64! C(o=-1.6!,f=-1.8!) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -2.65! (180deg=-7.81!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -116:sc= -9.25! (180deg=-13.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -161:sc= -1.56 (180deg=-2.19!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0125 USER MOD Single : A 101 ASN : amide:sc= -1.96 X(o=-2,f=-2.3!) USER MOD Single : A 102 SER OG : rot 170:sc= -1.2 USER MOD Single : A 107 MET CE :methyl -129:sc= -9.16! (180deg=-15.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.606 -9.663 -2.775 1.00 0.00 N ATOM 2 CA MET A 1 -8.959 -10.097 -1.434 1.00 0.00 C ATOM 3 C MET A 1 -10.244 -10.927 -1.446 1.00 0.00 C ATOM 4 O MET A 1 -11.309 -10.435 -1.075 1.00 0.00 O ATOM 5 CB MET A 1 -9.150 -8.874 -0.535 1.00 0.00 C ATOM 6 CG MET A 1 -10.262 -7.969 -1.069 1.00 0.00 C ATOM 7 SD MET A 1 -11.592 -7.870 0.118 1.00 0.00 S ATOM 8 CE MET A 1 -12.994 -8.043 -0.972 1.00 0.00 C ATOM 0 H1 MET A 1 -8.272 -8.679 -2.745 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.852 -10.273 -3.150 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.441 -9.726 -3.391 1.00 0.00 H new ATOM 0 HA MET A 1 -8.151 -10.719 -1.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.394 -9.197 0.477 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.217 -8.313 -0.475 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.867 -6.973 -1.269 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.637 -8.359 -2.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.780 -7.352 -0.666 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.690 -7.818 -1.994 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.370 -9.065 -0.922 1.00 0.00 H new ATOM 18 N ALA A 2 -10.103 -12.172 -1.878 1.00 0.00 N ATOM 19 CA ALA A 2 -11.239 -13.075 -1.943 1.00 0.00 C ATOM 20 C ALA A 2 -10.896 -14.254 -2.856 1.00 0.00 C ATOM 21 O ALA A 2 -11.698 -14.640 -3.705 1.00 0.00 O ATOM 22 CB ALA A 2 -12.473 -12.308 -2.422 1.00 0.00 C ATOM 0 H ALA A 2 -9.219 -12.576 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.467 -13.477 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.326 -12.985 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.692 -11.499 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.282 -11.893 -3.412 1.00 0.00 H new ATOM 28 N LYS A 3 -9.703 -14.793 -2.649 1.00 0.00 N ATOM 29 CA LYS A 3 -9.245 -15.921 -3.442 1.00 0.00 C ATOM 30 C LYS A 3 -8.618 -16.967 -2.519 1.00 0.00 C ATOM 31 O LYS A 3 -7.404 -16.975 -2.318 1.00 0.00 O ATOM 32 CB LYS A 3 -8.310 -15.447 -4.558 1.00 0.00 C ATOM 33 CG LYS A 3 -8.751 -16.000 -5.914 1.00 0.00 C ATOM 34 CD LYS A 3 -7.683 -15.752 -6.981 1.00 0.00 C ATOM 35 CE LYS A 3 -7.202 -17.070 -7.592 1.00 0.00 C ATOM 36 NZ LYS A 3 -6.990 -16.918 -9.048 1.00 0.00 N ATOM 0 H LYS A 3 -9.040 -14.470 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.086 -16.400 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.301 -14.358 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.291 -15.768 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.944 -17.069 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.687 -15.530 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.088 -15.111 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.839 -15.222 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.274 -17.382 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.936 -17.854 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.202 -17.526 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.855 -17.195 -9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.764 -15.926 -9.264 1.00 0.00 H new ATOM 49 N GLU A 4 -9.473 -17.824 -1.982 1.00 0.00 N ATOM 50 CA GLU A 4 -9.019 -18.872 -1.083 1.00 0.00 C ATOM 51 C GLU A 4 -8.608 -20.112 -1.880 1.00 0.00 C ATOM 52 O GLU A 4 -9.400 -21.038 -2.047 1.00 0.00 O ATOM 53 CB GLU A 4 -10.094 -19.216 -0.051 1.00 0.00 C ATOM 54 CG GLU A 4 -9.473 -19.479 1.322 1.00 0.00 C ATOM 55 CD GLU A 4 -10.556 -19.671 2.386 1.00 0.00 C ATOM 56 OE1 GLU A 4 -11.142 -18.685 2.857 1.00 0.00 O ATOM 57 OE2 GLU A 4 -10.781 -20.895 2.720 1.00 0.00 O ATOM 0 H GLU A 4 -10.479 -17.814 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.147 -18.505 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.810 -18.397 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.648 -20.096 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.842 -20.367 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.829 -18.645 1.600 1.00 0.00 H new ATOM 65 N PHE A 5 -7.369 -20.090 -2.351 1.00 0.00 N ATOM 66 CA PHE A 5 -6.844 -21.201 -3.127 1.00 0.00 C ATOM 67 C PHE A 5 -5.429 -21.565 -2.673 1.00 0.00 C ATOM 68 O PHE A 5 -4.891 -20.952 -1.752 1.00 0.00 O ATOM 69 CB PHE A 5 -6.797 -20.746 -4.586 1.00 0.00 C ATOM 70 CG PHE A 5 -7.193 -21.830 -5.589 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.327 -23.119 -5.179 1.00 0.00 C ATOM 72 CD2 PHE A 5 -7.411 -21.505 -6.892 1.00 0.00 C ATOM 73 CE1 PHE A 5 -7.695 -24.127 -6.111 1.00 0.00 C ATOM 74 CE2 PHE A 5 -7.780 -22.511 -7.823 1.00 0.00 C ATOM 75 CZ PHE A 5 -7.913 -23.801 -7.413 1.00 0.00 C ATOM 0 H PHE A 5 -6.714 -19.321 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.477 -22.079 -2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.461 -19.890 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.788 -20.403 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.154 -23.377 -4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.303 -20.481 -7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.801 -25.151 -5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.955 -22.252 -8.857 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.192 -24.567 -8.122 1.00 0.00 H new ATOM 85 N GLY A 6 -4.865 -22.561 -3.341 1.00 0.00 N ATOM 86 CA GLY A 6 -3.523 -23.014 -3.018 1.00 0.00 C ATOM 87 C GLY A 6 -2.485 -22.335 -3.914 1.00 0.00 C ATOM 88 O GLY A 6 -1.287 -22.576 -3.775 1.00 0.00 O ATOM 0 H GLY A 6 -5.313 -23.067 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.304 -22.797 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.461 -24.096 -3.139 1.00 0.00 H new ATOM 92 N ARG A 7 -2.983 -21.501 -4.815 1.00 0.00 N ATOM 93 CA ARG A 7 -2.113 -20.785 -5.734 1.00 0.00 C ATOM 94 C ARG A 7 -1.466 -19.590 -5.030 1.00 0.00 C ATOM 95 O ARG A 7 -1.746 -19.327 -3.862 1.00 0.00 O ATOM 96 CB ARG A 7 -2.890 -20.290 -6.955 1.00 0.00 C ATOM 97 CG ARG A 7 -2.450 -21.027 -8.221 1.00 0.00 C ATOM 98 CD ARG A 7 -2.764 -22.522 -8.122 1.00 0.00 C ATOM 99 NE ARG A 7 -2.831 -23.115 -9.477 1.00 0.00 N ATOM 100 CZ ARG A 7 -1.759 -23.580 -10.153 1.00 0.00 C ATOM 101 NH1 ARG A 7 -0.527 -23.524 -9.606 1.00 0.00 N ATOM 102 NH2 ARG A 7 -1.935 -24.091 -11.358 1.00 0.00 N ATOM 0 H ARG A 7 -3.977 -21.305 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.340 -21.477 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.958 -20.439 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.733 -19.219 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.956 -20.602 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.380 -20.886 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.997 -23.025 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.712 -22.670 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.744 -23.176 -9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.400 -23.128 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.277 -23.878 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.870 -24.130 -11.764 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.136 -24.447 -11.883 1.00 0.00 H new ATOM 115 N PRO A 8 -0.591 -18.880 -5.792 1.00 0.00 N ATOM 116 CA PRO A 8 0.098 -17.719 -5.254 1.00 0.00 C ATOM 117 C PRO A 8 -0.844 -16.518 -5.157 1.00 0.00 C ATOM 118 O PRO A 8 -0.426 -15.426 -4.778 1.00 0.00 O ATOM 119 CB PRO A 8 1.266 -17.483 -6.198 1.00 0.00 C ATOM 120 CG PRO A 8 0.924 -18.226 -7.479 1.00 0.00 C ATOM 121 CD PRO A 8 -0.235 -19.163 -7.179 1.00 0.00 C ATOM 0 HA PRO A 8 0.451 -17.875 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.405 -16.419 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.197 -17.854 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.653 -17.523 -8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.787 -18.788 -7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.075 -18.980 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.055 -20.206 -7.309 1.00 0.00 H new ATOM 129 N GLN A 9 -2.099 -16.762 -5.507 1.00 0.00 N ATOM 130 CA GLN A 9 -3.105 -15.714 -5.464 1.00 0.00 C ATOM 131 C GLN A 9 -3.689 -15.596 -4.055 1.00 0.00 C ATOM 132 O GLN A 9 -3.958 -14.493 -3.582 1.00 0.00 O ATOM 133 CB GLN A 9 -4.207 -15.970 -6.494 1.00 0.00 C ATOM 134 CG GLN A 9 -4.424 -14.741 -7.381 1.00 0.00 C ATOM 135 CD GLN A 9 -3.116 -14.306 -8.044 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.087 -14.954 -7.933 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.211 -13.175 -8.737 1.00 0.00 N ATOM 0 H GLN A 9 -2.442 -17.670 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.627 -14.768 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.940 -16.827 -7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.136 -16.223 -5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.166 -14.967 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.823 -13.922 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.103 -12.682 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.392 -12.800 -9.216 1.00 0.00 H new ATOM 146 N ARG A 10 -3.866 -16.747 -3.424 1.00 0.00 N ATOM 147 CA ARG A 10 -4.412 -16.787 -2.078 1.00 0.00 C ATOM 148 C ARG A 10 -3.558 -15.939 -1.133 1.00 0.00 C ATOM 149 O ARG A 10 -4.034 -14.948 -0.580 1.00 0.00 O ATOM 150 CB ARG A 10 -4.474 -18.221 -1.550 1.00 0.00 C ATOM 151 CG ARG A 10 -5.381 -18.315 -0.321 1.00 0.00 C ATOM 152 CD ARG A 10 -4.555 -18.400 0.964 1.00 0.00 C ATOM 153 NE ARG A 10 -5.158 -19.387 1.888 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.498 -19.963 2.915 1.00 0.00 C ATOM 155 NH1 ARG A 10 -3.206 -19.654 3.160 1.00 0.00 N ATOM 156 NH2 ARG A 10 -5.135 -20.832 3.678 1.00 0.00 N ATOM 0 H ARG A 10 -3.641 -17.660 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.424 -16.384 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.845 -18.884 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.471 -18.561 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.035 -17.444 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.022 -19.192 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.530 -18.688 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.510 -17.422 1.443 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.133 -19.648 1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.721 -18.981 2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.715 -20.094 3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.111 -21.059 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.651 -21.276 4.458 1.00 0.00 H new ATOM 169 N VAL A 11 -2.312 -16.358 -0.977 1.00 0.00 N ATOM 170 CA VAL A 11 -1.387 -15.650 -0.109 1.00 0.00 C ATOM 171 C VAL A 11 -1.353 -14.172 -0.504 1.00 0.00 C ATOM 172 O VAL A 11 -1.322 -13.296 0.359 1.00 0.00 O ATOM 173 CB VAL A 11 -0.009 -16.315 -0.158 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.921 -15.575 -1.121 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.607 -16.404 1.239 1.00 0.00 C ATOM 0 H VAL A 11 -1.921 -17.180 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.721 -15.701 0.927 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.140 -17.331 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.894 -16.067 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.491 -15.586 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.042 -14.544 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.585 -16.880 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.718 -15.402 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.042 -16.994 1.886 1.00 0.00 H new ATOM 185 N ALA A 12 -1.358 -13.941 -1.809 1.00 0.00 N ATOM 186 CA ALA A 12 -1.328 -12.585 -2.328 1.00 0.00 C ATOM 187 C ALA A 12 -2.525 -11.806 -1.778 1.00 0.00 C ATOM 188 O ALA A 12 -2.416 -10.614 -1.494 1.00 0.00 O ATOM 189 CB ALA A 12 -1.313 -12.626 -3.858 1.00 0.00 C ATOM 0 H ALA A 12 -1.382 -14.670 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.423 -12.070 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.291 -11.609 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.429 -13.165 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.209 -13.133 -4.217 1.00 0.00 H new ATOM 195 N GLN A 13 -3.638 -12.511 -1.643 1.00 0.00 N ATOM 196 CA GLN A 13 -4.853 -11.900 -1.132 1.00 0.00 C ATOM 197 C GLN A 13 -4.693 -11.560 0.351 1.00 0.00 C ATOM 198 O GLN A 13 -4.707 -10.390 0.729 1.00 0.00 O ATOM 199 CB GLN A 13 -6.061 -12.811 -1.358 1.00 0.00 C ATOM 200 CG GLN A 13 -6.376 -12.944 -2.850 1.00 0.00 C ATOM 201 CD GLN A 13 -5.817 -11.756 -3.636 1.00 0.00 C ATOM 202 OE1 GLN A 13 -6.501 -10.787 -3.919 1.00 0.00 O ATOM 203 NE2 GLN A 13 -4.536 -11.887 -3.973 1.00 0.00 N ATOM 0 H GLN A 13 -3.724 -13.500 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.029 -10.974 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.862 -13.796 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.928 -12.408 -0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.951 -13.871 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.455 -13.005 -2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.021 -12.725 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.069 -11.149 -4.500 1.00 0.00 H new ATOM 212 N GLU A 14 -4.543 -12.606 1.152 1.00 0.00 N ATOM 213 CA GLU A 14 -4.381 -12.433 2.586 1.00 0.00 C ATOM 214 C GLU A 14 -3.423 -11.276 2.875 1.00 0.00 C ATOM 215 O GLU A 14 -3.632 -10.512 3.816 1.00 0.00 O ATOM 216 CB GLU A 14 -3.893 -13.726 3.242 1.00 0.00 C ATOM 217 CG GLU A 14 -5.021 -14.757 3.324 1.00 0.00 C ATOM 218 CD GLU A 14 -5.653 -14.768 4.719 1.00 0.00 C ATOM 219 OE1 GLU A 14 -6.680 -14.109 4.938 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.039 -15.495 5.589 1.00 0.00 O ATOM 0 H GLU A 14 -4.530 -13.575 0.835 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.353 -12.191 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.061 -14.137 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.518 -13.512 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.782 -14.529 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.631 -15.748 3.089 1.00 0.00 H new ATOM 228 N MET A 15 -2.391 -11.183 2.049 1.00 0.00 N ATOM 229 CA MET A 15 -1.399 -10.133 2.204 1.00 0.00 C ATOM 230 C MET A 15 -1.946 -8.787 1.724 1.00 0.00 C ATOM 231 O MET A 15 -1.686 -7.753 2.336 1.00 0.00 O ATOM 232 CB MET A 15 -0.146 -10.491 1.403 1.00 0.00 C ATOM 233 CG MET A 15 1.116 -10.315 2.251 1.00 0.00 C ATOM 234 SD MET A 15 1.954 -11.881 2.430 1.00 0.00 S ATOM 235 CE MET A 15 3.575 -11.312 2.914 1.00 0.00 C ATOM 0 H MET A 15 -2.220 -11.818 1.270 1.00 0.00 H new ATOM 0 HA MET A 15 -1.151 -10.047 3.262 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.214 -11.522 1.056 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.084 -9.860 0.517 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.781 -9.589 1.783 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.853 -9.920 3.232 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.230 -12.169 3.068 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.987 -10.677 2.130 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.499 -10.742 3.840 1.00 0.00 H new ATOM 245 N GLN A 16 -2.694 -8.845 0.631 1.00 0.00 N ATOM 246 CA GLN A 16 -3.280 -7.644 0.062 1.00 0.00 C ATOM 247 C GLN A 16 -4.300 -7.040 1.028 1.00 0.00 C ATOM 248 O GLN A 16 -4.429 -5.821 1.119 1.00 0.00 O ATOM 249 CB GLN A 16 -3.918 -7.937 -1.298 1.00 0.00 C ATOM 250 CG GLN A 16 -4.009 -6.667 -2.146 1.00 0.00 C ATOM 251 CD GLN A 16 -5.397 -6.033 -2.037 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.032 -6.044 -0.995 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.830 -5.480 -3.167 1.00 0.00 N ATOM 0 H GLN A 16 -2.907 -9.705 0.125 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.485 -6.915 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.331 -8.689 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.915 -8.354 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.253 -5.953 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.795 -6.905 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.247 -5.506 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.745 -5.030 -3.197 1.00 0.00 H new ATOM 262 N LYS A 17 -5.001 -7.924 1.726 1.00 0.00 N ATOM 263 CA LYS A 17 -6.006 -7.494 2.682 1.00 0.00 C ATOM 264 C LYS A 17 -5.315 -6.982 3.947 1.00 0.00 C ATOM 265 O LYS A 17 -5.759 -6.005 4.550 1.00 0.00 O ATOM 266 CB LYS A 17 -7.012 -8.617 2.944 1.00 0.00 C ATOM 267 CG LYS A 17 -6.437 -9.652 3.912 1.00 0.00 C ATOM 268 CD LYS A 17 -7.552 -10.489 4.544 1.00 0.00 C ATOM 269 CE LYS A 17 -7.602 -10.281 6.059 1.00 0.00 C ATOM 270 NZ LYS A 17 -7.299 -11.546 6.766 1.00 0.00 N ATOM 0 H LYS A 17 -4.892 -8.935 1.647 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.586 -6.665 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.930 -8.199 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.276 -9.101 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.743 -10.305 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.868 -9.148 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.511 -10.215 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.389 -11.544 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.885 -9.514 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.589 -9.922 6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.101 -11.804 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.135 -12.302 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.447 -11.422 7.350 1.00 0.00 H new ATOM 283 N GLU A 18 -4.239 -7.663 4.313 1.00 0.00 N ATOM 284 CA GLU A 18 -3.481 -7.289 5.495 1.00 0.00 C ATOM 285 C GLU A 18 -2.776 -5.949 5.271 1.00 0.00 C ATOM 286 O GLU A 18 -2.773 -5.092 6.152 1.00 0.00 O ATOM 287 CB GLU A 18 -2.478 -8.380 5.872 1.00 0.00 C ATOM 288 CG GLU A 18 -2.038 -8.242 7.330 1.00 0.00 C ATOM 289 CD GLU A 18 -3.226 -8.402 8.279 1.00 0.00 C ATOM 290 OE1 GLU A 18 -4.327 -8.767 7.839 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.977 -8.134 9.516 1.00 0.00 O ATOM 0 H GLU A 18 -3.874 -8.472 3.811 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.175 -7.178 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.927 -9.361 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.608 -8.320 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.282 -8.994 7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.575 -7.267 7.483 1.00 0.00 H new ATOM 299 N ILE A 19 -2.196 -5.812 4.088 1.00 0.00 N ATOM 300 CA ILE A 19 -1.489 -4.592 3.738 1.00 0.00 C ATOM 301 C ILE A 19 -2.505 -3.483 3.453 1.00 0.00 C ATOM 302 O ILE A 19 -2.271 -2.323 3.786 1.00 0.00 O ATOM 303 CB ILE A 19 -0.518 -4.847 2.585 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.251 -4.859 1.242 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.279 -6.134 2.813 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.314 -5.278 0.108 1.00 0.00 C ATOM 0 H ILE A 19 -2.201 -6.526 3.359 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.874 -4.255 4.573 1.00 0.00 H new ATOM 0 HB ILE A 19 0.197 -4.025 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.097 -5.545 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.656 -3.868 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.962 -6.292 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.850 -6.050 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.406 -6.978 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.861 -5.278 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.518 -4.576 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.070 -6.279 0.304 1.00 0.00 H new ATOM 318 N ALA A 20 -3.610 -3.882 2.841 1.00 0.00 N ATOM 319 CA ALA A 20 -4.661 -2.936 2.507 1.00 0.00 C ATOM 320 C ALA A 20 -5.230 -2.335 3.795 1.00 0.00 C ATOM 321 O ALA A 20 -5.605 -1.165 3.825 1.00 0.00 O ATOM 322 CB ALA A 20 -5.733 -3.638 1.670 1.00 0.00 C ATOM 0 H ALA A 20 -3.800 -4.846 2.568 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.263 -2.117 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.522 -2.928 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.285 -4.022 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.157 -4.465 2.240 1.00 0.00 H new ATOM 328 N LEU A 21 -5.274 -3.164 4.826 1.00 0.00 N ATOM 329 CA LEU A 21 -5.789 -2.730 6.114 1.00 0.00 C ATOM 330 C LEU A 21 -4.784 -1.777 6.765 1.00 0.00 C ATOM 331 O LEU A 21 -5.114 -0.629 7.059 1.00 0.00 O ATOM 332 CB LEU A 21 -6.144 -3.938 6.984 1.00 0.00 C ATOM 333 CG LEU A 21 -6.437 -3.640 8.457 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.855 -4.073 8.832 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.383 -4.279 9.364 1.00 0.00 C ATOM 0 H LEU A 21 -4.962 -4.135 4.797 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.718 -2.175 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.017 -4.428 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.321 -4.651 6.935 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.380 -2.562 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.037 -3.850 9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.575 -3.534 8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.965 -5.144 8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.613 -4.053 10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.384 -5.359 9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.399 -3.881 9.115 1.00 0.00 H new ATOM 347 N ILE A 22 -3.580 -2.288 6.971 1.00 0.00 N ATOM 348 CA ILE A 22 -2.526 -1.497 7.582 1.00 0.00 C ATOM 349 C ILE A 22 -2.235 -0.279 6.704 1.00 0.00 C ATOM 350 O ILE A 22 -1.660 0.704 7.170 1.00 0.00 O ATOM 351 CB ILE A 22 -1.295 -2.364 7.857 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.672 -3.609 8.665 1.00 0.00 C ATOM 353 CG2 ILE A 22 -0.192 -1.552 8.538 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.705 -4.759 8.381 1.00 0.00 C ATOM 0 H ILE A 22 -3.311 -3.241 6.726 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.847 -1.122 8.554 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.898 -2.707 6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.661 -3.374 9.729 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.689 -3.914 8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.671 -2.192 8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.102 -0.724 7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.561 -1.160 9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.995 -5.631 8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.737 -5.008 7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.307 -4.459 8.653 1.00 0.00 H new ATOM 366 N LEU A 23 -2.645 -0.382 5.449 1.00 0.00 N ATOM 367 CA LEU A 23 -2.435 0.699 4.501 1.00 0.00 C ATOM 368 C LEU A 23 -3.576 1.711 4.628 1.00 0.00 C ATOM 369 O LEU A 23 -3.445 2.857 4.200 1.00 0.00 O ATOM 370 CB LEU A 23 -2.259 0.145 3.086 1.00 0.00 C ATOM 371 CG LEU A 23 -2.158 1.183 1.967 1.00 0.00 C ATOM 372 CD1 LEU A 23 -1.249 0.688 0.840 1.00 0.00 C ATOM 373 CD2 LEU A 23 -3.545 1.575 1.455 1.00 0.00 C ATOM 0 H LEU A 23 -3.122 -1.198 5.066 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.510 1.230 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.359 -0.469 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.099 -0.514 2.868 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.701 2.083 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.195 1.445 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.250 0.501 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.654 -0.235 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.444 2.314 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.053 0.692 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.128 1.999 2.272 1.00 0.00 H new ATOM 385 N GLN A 24 -4.670 1.251 5.218 1.00 0.00 N ATOM 386 CA GLN A 24 -5.833 2.101 5.406 1.00 0.00 C ATOM 387 C GLN A 24 -6.042 2.393 6.893 1.00 0.00 C ATOM 388 O GLN A 24 -6.874 3.222 7.256 1.00 0.00 O ATOM 389 CB GLN A 24 -7.081 1.465 4.792 1.00 0.00 C ATOM 390 CG GLN A 24 -7.192 1.802 3.303 1.00 0.00 C ATOM 391 CD GLN A 24 -7.728 0.609 2.510 1.00 0.00 C ATOM 392 OE1 GLN A 24 -6.996 -0.278 2.102 1.00 0.00 O ATOM 393 NE2 GLN A 24 -9.043 0.637 2.313 1.00 0.00 N ATOM 0 H GLN A 24 -4.775 0.300 5.572 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.656 3.045 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.044 0.383 4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.969 1.819 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.852 2.659 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.214 2.090 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.598 1.410 2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.497 -0.114 1.793 1.00 0.00 H new ATOM 402 N ARG A 25 -5.272 1.695 7.714 1.00 0.00 N ATOM 403 CA ARG A 25 -5.361 1.868 9.154 1.00 0.00 C ATOM 404 C ARG A 25 -4.115 2.582 9.682 1.00 0.00 C ATOM 405 O ARG A 25 -4.210 3.679 10.232 1.00 0.00 O ATOM 406 CB ARG A 25 -5.507 0.521 9.864 1.00 0.00 C ATOM 407 CG ARG A 25 -6.979 0.119 9.981 1.00 0.00 C ATOM 408 CD ARG A 25 -7.354 -0.169 11.437 1.00 0.00 C ATOM 409 NE ARG A 25 -7.306 -1.626 11.692 1.00 0.00 N ATOM 410 CZ ARG A 25 -7.764 -2.213 12.818 1.00 0.00 C ATOM 411 NH1 ARG A 25 -8.309 -1.470 13.805 1.00 0.00 N ATOM 412 NH2 ARG A 25 -7.670 -3.524 12.941 1.00 0.00 N ATOM 0 H ARG A 25 -4.583 1.008 7.409 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.245 2.472 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.960 -0.245 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.062 0.579 10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.610 0.917 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.168 -0.764 9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.668 0.349 12.107 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.353 0.213 11.646 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.901 -2.224 10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.377 -0.457 13.703 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.653 -1.921 14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.256 -4.078 12.191 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.011 -3.983 13.786 1.00 0.00 H new ATOM 425 N GLU A 26 -2.976 1.932 9.495 1.00 0.00 N ATOM 426 CA GLU A 26 -1.712 2.491 9.946 1.00 0.00 C ATOM 427 C GLU A 26 -1.398 3.777 9.179 1.00 0.00 C ATOM 428 O GLU A 26 -0.613 4.603 9.640 1.00 0.00 O ATOM 429 CB GLU A 26 -0.580 1.474 9.800 1.00 0.00 C ATOM 430 CG GLU A 26 0.407 1.905 8.713 1.00 0.00 C ATOM 431 CD GLU A 26 1.341 3.004 9.225 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.654 3.946 8.481 1.00 0.00 O ATOM 433 OE2 GLU A 26 1.743 2.856 10.441 1.00 0.00 O ATOM 0 H GLU A 26 -2.901 1.023 9.037 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.801 2.735 11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.057 1.368 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.994 0.496 9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.994 1.046 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.140 2.265 7.842 1.00 0.00 H new ATOM 441 N ILE A 27 -2.027 3.905 8.019 1.00 0.00 N ATOM 442 CA ILE A 27 -1.823 5.077 7.184 1.00 0.00 C ATOM 443 C ILE A 27 -2.639 6.244 7.743 1.00 0.00 C ATOM 444 O ILE A 27 -3.330 6.098 8.749 1.00 0.00 O ATOM 445 CB ILE A 27 -2.136 4.752 5.722 1.00 0.00 C ATOM 446 CG1 ILE A 27 -1.102 5.382 4.786 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.564 5.169 5.361 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.627 5.443 3.350 1.00 0.00 C ATOM 0 H ILE A 27 -2.677 3.217 7.638 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.777 5.382 7.203 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.073 3.672 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.859 6.387 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.179 4.803 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.761 4.927 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.271 4.635 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.679 6.242 5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.873 5.895 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.846 4.434 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.536 6.043 3.320 1.00 0.00 H new ATOM 460 N LYS A 28 -2.531 7.378 7.065 1.00 0.00 N ATOM 461 CA LYS A 28 -3.249 8.570 7.481 1.00 0.00 C ATOM 462 C LYS A 28 -4.479 8.756 6.590 1.00 0.00 C ATOM 463 O LYS A 28 -4.505 9.643 5.738 1.00 0.00 O ATOM 464 CB LYS A 28 -2.314 9.781 7.498 1.00 0.00 C ATOM 465 CG LYS A 28 -1.789 10.088 6.094 1.00 0.00 C ATOM 466 CD LYS A 28 -0.285 9.829 6.001 1.00 0.00 C ATOM 467 CE LYS A 28 0.146 9.612 4.550 1.00 0.00 C ATOM 468 NZ LYS A 28 0.196 10.903 3.826 1.00 0.00 N ATOM 0 H LYS A 28 -1.957 7.496 6.230 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.609 8.460 8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.844 10.649 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.477 9.589 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.313 9.472 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.998 11.128 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.260 10.673 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.026 8.953 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.126 9.135 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.551 8.937 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.329 10.820 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.233 11.647 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.186 11.150 3.624 1.00 0.00 H new ATOM 481 N ASP A 29 -5.469 7.905 6.817 1.00 0.00 N ATOM 482 CA ASP A 29 -6.699 7.965 6.047 1.00 0.00 C ATOM 483 C ASP A 29 -7.640 8.993 6.675 1.00 0.00 C ATOM 484 O ASP A 29 -8.232 9.810 5.971 1.00 0.00 O ATOM 485 CB ASP A 29 -7.413 6.611 6.042 1.00 0.00 C ATOM 486 CG ASP A 29 -8.926 6.678 6.252 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.431 6.411 7.353 1.00 0.00 O ATOM 488 OD2 ASP A 29 -9.606 7.024 5.211 1.00 0.00 O ATOM 0 H ASP A 29 -5.444 7.170 7.524 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.443 8.241 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.215 6.116 5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.980 5.986 6.823 1.00 0.00 H new ATOM 494 N PRO A 30 -7.753 8.918 8.028 1.00 0.00 N ATOM 495 CA PRO A 30 -8.613 9.833 8.760 1.00 0.00 C ATOM 496 C PRO A 30 -7.980 11.222 8.855 1.00 0.00 C ATOM 497 O PRO A 30 -8.677 12.212 9.079 1.00 0.00 O ATOM 498 CB PRO A 30 -8.819 9.180 10.117 1.00 0.00 C ATOM 499 CG PRO A 30 -7.700 8.161 10.262 1.00 0.00 C ATOM 500 CD PRO A 30 -7.068 7.963 8.895 1.00 0.00 C ATOM 0 HA PRO A 30 -9.569 9.999 8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.780 9.920 10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.795 8.699 10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.957 8.510 10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.091 7.217 10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.995 8.153 8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.201 6.941 8.541 1.00 0.00 H new ATOM 508 N ARG A 31 -6.668 11.253 8.681 1.00 0.00 N ATOM 509 CA ARG A 31 -5.932 12.505 8.745 1.00 0.00 C ATOM 510 C ARG A 31 -6.034 13.248 7.411 1.00 0.00 C ATOM 511 O ARG A 31 -5.738 14.439 7.336 1.00 0.00 O ATOM 512 CB ARG A 31 -4.459 12.261 9.074 1.00 0.00 C ATOM 513 CG ARG A 31 -4.274 10.937 9.818 1.00 0.00 C ATOM 514 CD ARG A 31 -2.938 10.909 10.563 1.00 0.00 C ATOM 515 NE ARG A 31 -3.091 10.197 11.851 1.00 0.00 N ATOM 516 CZ ARG A 31 -2.061 9.705 12.571 1.00 0.00 C ATOM 517 NH1 ARG A 31 -0.792 9.843 12.134 1.00 0.00 N ATOM 518 NH2 ARG A 31 -2.315 9.086 13.710 1.00 0.00 N ATOM 0 H ARG A 31 -6.094 10.430 8.495 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.373 13.110 9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.875 12.250 8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.078 13.081 9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.092 10.796 10.525 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.317 10.109 9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.182 10.415 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.590 11.927 10.740 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.034 10.070 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.605 10.322 11.253 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.019 9.468 12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.277 8.986 14.033 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.549 8.708 14.267 1.00 0.00 H new ATOM 531 N LEU A 32 -6.453 12.514 6.391 1.00 0.00 N ATOM 532 CA LEU A 32 -6.597 13.089 5.065 1.00 0.00 C ATOM 533 C LEU A 32 -8.082 13.175 4.710 1.00 0.00 C ATOM 534 O LEU A 32 -8.436 13.377 3.548 1.00 0.00 O ATOM 535 CB LEU A 32 -5.767 12.303 4.047 1.00 0.00 C ATOM 536 CG LEU A 32 -4.265 12.594 4.040 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.745 12.834 5.460 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.492 11.480 3.330 1.00 0.00 C ATOM 0 H LEU A 32 -6.697 11.526 6.456 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.204 14.106 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.910 11.239 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.161 12.507 3.051 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.100 13.512 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.675 13.038 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.264 13.687 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.926 11.948 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.427 11.713 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.661 10.534 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.836 11.398 2.299 1.00 0.00 H new ATOM 550 N GLY A 33 -8.912 13.018 5.730 1.00 0.00 N ATOM 551 CA GLY A 33 -10.352 13.076 5.540 1.00 0.00 C ATOM 552 C GLY A 33 -10.752 12.459 4.199 1.00 0.00 C ATOM 553 O GLY A 33 -11.666 12.948 3.535 1.00 0.00 O ATOM 0 H GLY A 33 -8.615 12.851 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.851 12.547 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.687 14.112 5.582 1.00 0.00 H new ATOM 557 N MET A 34 -10.052 11.394 3.841 1.00 0.00 N ATOM 558 CA MET A 34 -10.324 10.705 2.591 1.00 0.00 C ATOM 559 C MET A 34 -9.982 9.217 2.700 1.00 0.00 C ATOM 560 O MET A 34 -9.155 8.825 3.521 1.00 0.00 O ATOM 561 CB MET A 34 -9.498 11.337 1.469 1.00 0.00 C ATOM 562 CG MET A 34 -10.040 12.721 1.103 1.00 0.00 C ATOM 563 SD MET A 34 -9.133 13.383 -0.285 1.00 0.00 S ATOM 564 CE MET A 34 -7.543 13.646 0.480 1.00 0.00 C ATOM 0 H MET A 34 -9.296 10.991 4.395 1.00 0.00 H new ATOM 0 HA MET A 34 -11.387 10.800 2.369 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.457 11.421 1.782 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.516 10.691 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.100 12.652 0.856 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.954 13.392 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.233 14.680 0.329 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.615 13.441 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.808 12.978 0.031 1.00 0.00 H new ATOM 574 N MET A 35 -10.637 8.430 1.858 1.00 0.00 N ATOM 575 CA MET A 35 -10.413 6.994 1.849 1.00 0.00 C ATOM 576 C MET A 35 -9.512 6.587 0.682 1.00 0.00 C ATOM 577 O MET A 35 -9.769 6.955 -0.464 1.00 0.00 O ATOM 578 CB MET A 35 -11.756 6.269 1.735 1.00 0.00 C ATOM 579 CG MET A 35 -11.855 5.134 2.757 1.00 0.00 C ATOM 580 SD MET A 35 -12.158 3.586 1.922 1.00 0.00 S ATOM 581 CE MET A 35 -12.967 2.681 3.232 1.00 0.00 C ATOM 0 H MET A 35 -11.322 8.759 1.178 1.00 0.00 H new ATOM 0 HA MET A 35 -9.918 6.716 2.779 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.570 6.977 1.892 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.872 5.868 0.728 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.932 5.071 3.334 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.659 5.339 3.464 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.227 1.683 2.878 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.295 2.599 4.086 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.873 3.207 3.532 1.00 0.00 H new ATOM 591 N THR A 36 -8.474 5.832 1.013 1.00 0.00 N ATOM 592 CA THR A 36 -7.533 5.371 0.005 1.00 0.00 C ATOM 593 C THR A 36 -7.959 4.006 -0.537 1.00 0.00 C ATOM 594 O THR A 36 -8.804 3.335 0.054 1.00 0.00 O ATOM 595 CB THR A 36 -6.137 5.368 0.631 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.118 4.191 1.432 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.941 6.506 1.634 1.00 0.00 C ATOM 0 H THR A 36 -8.264 5.528 1.964 1.00 0.00 H new ATOM 0 HA THR A 36 -7.518 6.037 -0.858 1.00 0.00 H new ATOM 0 HB THR A 36 -5.387 5.446 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.247 4.110 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.934 6.457 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.080 7.463 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.669 6.411 2.439 1.00 0.00 H new ATOM 605 N THR A 37 -7.355 3.635 -1.656 1.00 0.00 N ATOM 606 CA THR A 37 -7.662 2.361 -2.285 1.00 0.00 C ATOM 607 C THR A 37 -6.374 1.654 -2.714 1.00 0.00 C ATOM 608 O THR A 37 -5.312 2.273 -2.772 1.00 0.00 O ATOM 609 CB THR A 37 -8.625 2.626 -3.444 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.905 2.702 -2.823 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.742 1.431 -4.393 1.00 0.00 C ATOM 0 H THR A 37 -6.655 4.194 -2.144 1.00 0.00 H new ATOM 0 HA THR A 37 -8.151 1.682 -1.586 1.00 0.00 H new ATOM 0 HB THR A 37 -8.289 3.501 -4.001 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.589 2.874 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.437 1.672 -5.197 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.763 1.205 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.109 0.564 -3.843 1.00 0.00 H new ATOM 619 N VAL A 38 -6.511 0.369 -3.004 1.00 0.00 N ATOM 620 CA VAL A 38 -5.372 -0.428 -3.426 1.00 0.00 C ATOM 621 C VAL A 38 -5.707 -1.132 -4.743 1.00 0.00 C ATOM 622 O VAL A 38 -6.065 -2.309 -4.749 1.00 0.00 O ATOM 623 CB VAL A 38 -4.973 -1.400 -2.314 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.782 -2.261 -2.740 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.672 -0.652 -1.014 1.00 0.00 C ATOM 0 H VAL A 38 -7.393 -0.140 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.507 0.209 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.818 -2.064 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.519 -2.943 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.047 -2.835 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.931 -1.619 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.391 -1.366 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.852 0.047 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.558 -0.103 -0.696 1.00 0.00 H new ATOM 635 N SER A 39 -5.579 -0.381 -5.827 1.00 0.00 N ATOM 636 CA SER A 39 -5.863 -0.918 -7.147 1.00 0.00 C ATOM 637 C SER A 39 -4.589 -1.498 -7.762 1.00 0.00 C ATOM 638 O SER A 39 -4.401 -1.444 -8.977 1.00 0.00 O ATOM 639 CB SER A 39 -6.453 0.156 -8.063 1.00 0.00 C ATOM 640 OG SER A 39 -7.713 -0.235 -8.602 1.00 0.00 O ATOM 0 H SER A 39 -5.282 0.595 -5.818 1.00 0.00 H new ATOM 0 HA SER A 39 -6.601 -1.713 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.570 1.085 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.758 0.360 -8.877 1.00 0.00 H new ATOM 0 HG SER A 39 -8.057 0.478 -9.180 1.00 0.00 H new ATOM 646 N GLY A 40 -3.745 -2.040 -6.895 1.00 0.00 N ATOM 647 CA GLY A 40 -2.493 -2.630 -7.339 1.00 0.00 C ATOM 648 C GLY A 40 -1.705 -3.196 -6.156 1.00 0.00 C ATOM 649 O GLY A 40 -1.611 -2.561 -5.107 1.00 0.00 O ATOM 0 H GLY A 40 -3.904 -2.083 -5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.695 -3.423 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.894 -1.878 -7.853 1.00 0.00 H new ATOM 653 N VAL A 41 -1.160 -4.385 -6.364 1.00 0.00 N ATOM 654 CA VAL A 41 -0.383 -5.044 -5.328 1.00 0.00 C ATOM 655 C VAL A 41 0.600 -6.020 -5.977 1.00 0.00 C ATOM 656 O VAL A 41 0.224 -6.793 -6.857 1.00 0.00 O ATOM 657 CB VAL A 41 -1.319 -5.719 -4.322 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.345 -6.602 -5.034 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.525 -6.523 -3.291 1.00 0.00 C ATOM 0 H VAL A 41 -1.241 -4.910 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 41 0.204 -4.315 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.862 -4.937 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.997 -7.069 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.942 -5.992 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.828 -7.375 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.213 -6.993 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.056 -7.293 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.148 -5.857 -2.751 1.00 0.00 H new ATOM 669 N GLU A 42 1.842 -5.953 -5.518 1.00 0.00 N ATOM 670 CA GLU A 42 2.881 -6.821 -6.043 1.00 0.00 C ATOM 671 C GLU A 42 3.823 -7.259 -4.920 1.00 0.00 C ATOM 672 O GLU A 42 4.352 -6.426 -4.187 1.00 0.00 O ATOM 673 CB GLU A 42 3.655 -6.131 -7.169 1.00 0.00 C ATOM 674 CG GLU A 42 2.719 -5.726 -8.309 1.00 0.00 C ATOM 675 CD GLU A 42 2.350 -6.935 -9.172 1.00 0.00 C ATOM 676 OE1 GLU A 42 1.458 -7.712 -8.801 1.00 0.00 O ATOM 677 OE2 GLU A 42 3.026 -7.052 -10.263 1.00 0.00 O ATOM 0 H GLU A 42 2.151 -5.311 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 42 2.408 -7.709 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.162 -5.248 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.427 -6.801 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.814 -5.278 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.199 -4.967 -8.926 1.00 0.00 H new ATOM 685 N MET A 43 4.004 -8.568 -4.821 1.00 0.00 N ATOM 686 CA MET A 43 4.873 -9.129 -3.799 1.00 0.00 C ATOM 687 C MET A 43 5.821 -10.170 -4.397 1.00 0.00 C ATOM 688 O MET A 43 5.401 -11.275 -4.737 1.00 0.00 O ATOM 689 CB MET A 43 4.023 -9.780 -2.706 1.00 0.00 C ATOM 690 CG MET A 43 2.595 -9.229 -2.722 1.00 0.00 C ATOM 691 SD MET A 43 1.623 -10.090 -3.948 1.00 0.00 S ATOM 692 CE MET A 43 -0.008 -9.512 -3.513 1.00 0.00 C ATOM 0 H MET A 43 3.564 -9.257 -5.431 1.00 0.00 H new ATOM 0 HA MET A 43 5.470 -8.322 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.002 -10.860 -2.852 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.476 -9.599 -1.731 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.140 -9.345 -1.738 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.611 -8.162 -2.942 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.615 -10.353 -3.179 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.068 -8.778 -2.711 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.475 -9.051 -4.383 1.00 0.00 H new ATOM 702 N SER A 44 7.083 -9.781 -4.506 1.00 0.00 N ATOM 703 CA SER A 44 8.095 -10.666 -5.056 1.00 0.00 C ATOM 704 C SER A 44 9.058 -11.110 -3.954 1.00 0.00 C ATOM 705 O SER A 44 9.873 -10.319 -3.483 1.00 0.00 O ATOM 706 CB SER A 44 8.863 -9.987 -6.192 1.00 0.00 C ATOM 707 OG SER A 44 8.755 -10.708 -7.416 1.00 0.00 O ATOM 0 H SER A 44 7.428 -8.864 -4.222 1.00 0.00 H new ATOM 0 HA SER A 44 7.595 -11.543 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.482 -8.975 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.914 -9.897 -5.916 1.00 0.00 H new ATOM 0 HG SER A 44 9.038 -10.135 -8.159 1.00 0.00 H new ATOM 713 N ARG A 45 8.933 -12.373 -3.575 1.00 0.00 N ATOM 714 CA ARG A 45 9.783 -12.930 -2.537 1.00 0.00 C ATOM 715 C ARG A 45 10.912 -13.753 -3.160 1.00 0.00 C ATOM 716 O ARG A 45 11.802 -14.227 -2.455 1.00 0.00 O ATOM 717 CB ARG A 45 8.979 -13.819 -1.585 1.00 0.00 C ATOM 718 CG ARG A 45 8.200 -12.975 -0.574 1.00 0.00 C ATOM 719 CD ARG A 45 6.703 -12.980 -0.894 1.00 0.00 C ATOM 720 NE ARG A 45 6.183 -14.365 -0.862 1.00 0.00 N ATOM 721 CZ ARG A 45 5.989 -15.126 -1.959 1.00 0.00 C ATOM 722 NH1 ARG A 45 6.271 -14.643 -3.187 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.518 -16.352 -1.813 1.00 0.00 N ATOM 0 H ARG A 45 8.256 -13.027 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 45 10.204 -12.099 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.288 -14.438 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.652 -14.495 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.362 -13.364 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.574 -11.951 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.166 -12.365 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.531 -12.541 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 45 5.957 -14.770 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.634 -13.695 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.121 -15.225 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.307 -16.710 -0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.365 -16.941 -2.632 1.00 0.00 H new ATOM 736 N ASP A 46 10.839 -13.899 -4.475 1.00 0.00 N ATOM 737 CA ASP A 46 11.844 -14.657 -5.202 1.00 0.00 C ATOM 738 C ASP A 46 13.230 -14.089 -4.886 1.00 0.00 C ATOM 739 O ASP A 46 14.241 -14.759 -5.097 1.00 0.00 O ATOM 740 CB ASP A 46 11.625 -14.556 -6.712 1.00 0.00 C ATOM 741 CG ASP A 46 11.072 -15.820 -7.371 1.00 0.00 C ATOM 742 OD1 ASP A 46 10.760 -16.810 -6.692 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.964 -15.764 -8.655 1.00 0.00 O ATOM 0 H ASP A 46 10.099 -13.505 -5.056 1.00 0.00 H new ATOM 0 HA ASP A 46 11.767 -15.700 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.940 -13.732 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.574 -14.303 -7.185 1.00 0.00 H new ATOM 749 N LEU A 47 13.233 -12.863 -4.385 1.00 0.00 N ATOM 750 CA LEU A 47 14.477 -12.199 -4.039 1.00 0.00 C ATOM 751 C LEU A 47 14.266 -11.350 -2.785 1.00 0.00 C ATOM 752 O LEU A 47 14.763 -11.686 -1.711 1.00 0.00 O ATOM 753 CB LEU A 47 15.014 -11.407 -5.234 1.00 0.00 C ATOM 754 CG LEU A 47 16.219 -12.015 -5.954 1.00 0.00 C ATOM 755 CD1 LEU A 47 15.813 -12.592 -7.311 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.353 -10.995 -6.081 1.00 0.00 C ATOM 0 H LEU A 47 12.393 -12.312 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 47 15.246 -12.934 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.207 -11.286 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.287 -10.409 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 47 16.595 -12.842 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.688 -13.018 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.064 -13.370 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.397 -11.800 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.198 -11.452 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.005 -10.133 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.665 -10.673 -5.088 1.00 0.00 H new ATOM 768 N ALA A 48 13.526 -10.264 -2.961 1.00 0.00 N ATOM 769 CA ALA A 48 13.242 -9.364 -1.856 1.00 0.00 C ATOM 770 C ALA A 48 12.833 -7.997 -2.410 1.00 0.00 C ATOM 771 O ALA A 48 13.504 -6.998 -2.162 1.00 0.00 O ATOM 772 CB ALA A 48 14.464 -9.279 -0.940 1.00 0.00 C ATOM 0 H ALA A 48 13.115 -9.988 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 48 12.412 -9.740 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.251 -8.604 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.696 -10.270 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.317 -8.902 -1.505 1.00 0.00 H new ATOM 778 N TYR A 49 11.733 -8.000 -3.149 1.00 0.00 N ATOM 779 CA TYR A 49 11.226 -6.773 -3.740 1.00 0.00 C ATOM 780 C TYR A 49 9.724 -6.877 -4.015 1.00 0.00 C ATOM 781 O TYR A 49 9.256 -7.879 -4.554 1.00 0.00 O ATOM 782 CB TYR A 49 11.965 -6.608 -5.069 1.00 0.00 C ATOM 783 CG TYR A 49 11.641 -7.691 -6.101 1.00 0.00 C ATOM 784 CD1 TYR A 49 10.593 -7.513 -6.980 1.00 0.00 C ATOM 785 CD2 TYR A 49 12.396 -8.845 -6.150 1.00 0.00 C ATOM 786 CE1 TYR A 49 10.287 -8.532 -7.952 1.00 0.00 C ATOM 787 CE2 TYR A 49 12.091 -9.863 -7.121 1.00 0.00 C ATOM 788 CZ TYR A 49 11.051 -9.657 -7.974 1.00 0.00 C ATOM 789 OH TYR A 49 10.764 -10.620 -8.891 1.00 0.00 O ATOM 0 H TYR A 49 11.179 -8.832 -3.352 1.00 0.00 H new ATOM 0 HA TYR A 49 11.383 -5.930 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.719 -5.634 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.038 -6.611 -4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.002 -6.610 -6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.215 -8.984 -5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.470 -8.405 -8.647 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.675 -10.770 -7.171 1.00 0.00 H new ATOM 0 HH TYR A 49 10.265 -11.345 -8.459 1.00 0.00 H new ATOM 799 N ALA A 50 9.011 -5.828 -3.632 1.00 0.00 N ATOM 800 CA ALA A 50 7.572 -5.788 -3.831 1.00 0.00 C ATOM 801 C ALA A 50 7.162 -4.383 -4.275 1.00 0.00 C ATOM 802 O ALA A 50 7.938 -3.437 -4.149 1.00 0.00 O ATOM 803 CB ALA A 50 6.867 -6.222 -2.544 1.00 0.00 C ATOM 0 H ALA A 50 9.403 -4.999 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 50 7.273 -6.482 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.788 -6.192 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.170 -7.237 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.140 -5.546 -1.734 1.00 0.00 H new ATOM 809 N LYS A 51 5.943 -4.291 -4.786 1.00 0.00 N ATOM 810 CA LYS A 51 5.420 -3.018 -5.250 1.00 0.00 C ATOM 811 C LYS A 51 3.920 -2.950 -4.956 1.00 0.00 C ATOM 812 O LYS A 51 3.136 -3.702 -5.530 1.00 0.00 O ATOM 813 CB LYS A 51 5.767 -2.800 -6.725 1.00 0.00 C ATOM 814 CG LYS A 51 6.720 -3.887 -7.228 1.00 0.00 C ATOM 815 CD LYS A 51 7.088 -3.656 -8.695 1.00 0.00 C ATOM 816 CE LYS A 51 8.452 -2.973 -8.817 1.00 0.00 C ATOM 817 NZ LYS A 51 9.284 -3.656 -9.834 1.00 0.00 N ATOM 0 H LYS A 51 5.302 -5.078 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 51 5.890 -2.195 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.855 -2.806 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.226 -1.820 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.624 -3.894 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.253 -4.866 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.106 -4.609 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.325 -3.041 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.318 -1.926 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.960 -2.988 -7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.206 -3.180 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.427 -4.648 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.804 -3.620 -10.756 1.00 0.00 H new ATOM 830 N VAL A 52 3.566 -2.039 -4.061 1.00 0.00 N ATOM 831 CA VAL A 52 2.175 -1.862 -3.682 1.00 0.00 C ATOM 832 C VAL A 52 1.658 -0.542 -4.257 1.00 0.00 C ATOM 833 O VAL A 52 2.403 0.432 -4.349 1.00 0.00 O ATOM 834 CB VAL A 52 2.029 -1.951 -2.161 1.00 0.00 C ATOM 835 CG1 VAL A 52 2.617 -0.712 -1.482 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.567 -2.154 -1.761 1.00 0.00 C ATOM 0 H VAL A 52 4.219 -1.415 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 52 1.562 -2.661 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 52 2.592 -2.820 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.501 -0.799 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.676 -0.630 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.094 0.178 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.492 -2.214 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.028 -1.315 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.194 -3.078 -2.202 1.00 0.00 H new ATOM 846 N TYR A 53 0.386 -0.551 -4.627 1.00 0.00 N ATOM 847 CA TYR A 53 -0.239 0.634 -5.190 1.00 0.00 C ATOM 848 C TYR A 53 -1.303 1.194 -4.244 1.00 0.00 C ATOM 849 O TYR A 53 -2.033 0.437 -3.608 1.00 0.00 O ATOM 850 CB TYR A 53 -0.914 0.180 -6.486 1.00 0.00 C ATOM 851 CG TYR A 53 -0.565 1.039 -7.702 1.00 0.00 C ATOM 852 CD1 TYR A 53 -0.209 2.362 -7.534 1.00 0.00 C ATOM 853 CD2 TYR A 53 -0.607 0.492 -8.968 1.00 0.00 C ATOM 854 CE1 TYR A 53 0.119 3.171 -8.680 1.00 0.00 C ATOM 855 CE2 TYR A 53 -0.279 1.300 -10.114 1.00 0.00 C ATOM 856 CZ TYR A 53 0.068 2.600 -9.913 1.00 0.00 C ATOM 857 OH TYR A 53 0.377 3.364 -10.995 1.00 0.00 O ATOM 0 H TYR A 53 -0.229 -1.361 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 53 0.502 1.416 -5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.630 -0.852 -6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.995 0.191 -6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.176 2.791 -6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.886 -0.543 -9.100 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.399 4.207 -8.562 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.308 0.884 -11.110 1.00 0.00 H new ATOM 0 HH TYR A 53 0.299 2.825 -11.809 1.00 0.00 H new ATOM 867 N VAL A 54 -1.356 2.517 -4.181 1.00 0.00 N ATOM 868 CA VAL A 54 -2.318 3.187 -3.324 1.00 0.00 C ATOM 869 C VAL A 54 -2.808 4.461 -4.014 1.00 0.00 C ATOM 870 O VAL A 54 -2.010 5.327 -4.367 1.00 0.00 O ATOM 871 CB VAL A 54 -1.699 3.453 -1.950 1.00 0.00 C ATOM 872 CG1 VAL A 54 -2.528 2.801 -0.841 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.246 2.975 -1.902 1.00 0.00 C ATOM 0 H VAL A 54 -0.748 3.142 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.188 2.552 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.703 4.530 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.067 3.005 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.539 3.209 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.570 1.724 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.171 3.176 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.209 1.904 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.336 3.505 -2.656 1.00 0.00 H new ATOM 883 N THR A 55 -4.121 4.535 -4.187 1.00 0.00 N ATOM 884 CA THR A 55 -4.727 5.689 -4.828 1.00 0.00 C ATOM 885 C THR A 55 -5.526 6.507 -3.811 1.00 0.00 C ATOM 886 O THR A 55 -6.329 5.956 -3.060 1.00 0.00 O ATOM 887 CB THR A 55 -5.571 5.188 -6.002 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.723 6.026 -5.984 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.128 3.783 -5.765 1.00 0.00 C ATOM 0 H THR A 55 -4.781 3.814 -3.894 1.00 0.00 H new ATOM 0 HA THR A 55 -3.969 6.367 -5.219 1.00 0.00 H new ATOM 0 HB THR A 55 -4.968 5.191 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.324 5.771 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.719 3.476 -6.628 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.304 3.084 -5.622 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.759 3.787 -4.876 1.00 0.00 H new ATOM 897 N PHE A 56 -5.279 7.808 -3.820 1.00 0.00 N ATOM 898 CA PHE A 56 -5.964 8.707 -2.908 1.00 0.00 C ATOM 899 C PHE A 56 -6.696 9.811 -3.673 1.00 0.00 C ATOM 900 O PHE A 56 -6.482 9.987 -4.871 1.00 0.00 O ATOM 901 CB PHE A 56 -4.894 9.342 -2.017 1.00 0.00 C ATOM 902 CG PHE A 56 -3.872 8.346 -1.466 1.00 0.00 C ATOM 903 CD1 PHE A 56 -2.933 7.809 -2.290 1.00 0.00 C ATOM 904 CD2 PHE A 56 -3.901 7.998 -0.152 1.00 0.00 C ATOM 905 CE1 PHE A 56 -1.984 6.885 -1.780 1.00 0.00 C ATOM 906 CE2 PHE A 56 -2.953 7.074 0.359 1.00 0.00 C ATOM 907 CZ PHE A 56 -2.013 6.538 -0.465 1.00 0.00 C ATOM 0 H PHE A 56 -4.613 8.262 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.702 8.155 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.369 10.108 -2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.382 9.845 -1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.909 8.086 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.646 8.425 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.239 6.458 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.978 6.796 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.290 5.837 -0.075 1.00 0.00 H new ATOM 917 N LEU A 57 -7.544 10.527 -2.948 1.00 0.00 N ATOM 918 CA LEU A 57 -8.308 11.609 -3.544 1.00 0.00 C ATOM 919 C LEU A 57 -7.693 12.949 -3.133 1.00 0.00 C ATOM 920 O LEU A 57 -8.335 13.992 -3.244 1.00 0.00 O ATOM 921 CB LEU A 57 -9.790 11.479 -3.188 1.00 0.00 C ATOM 922 CG LEU A 57 -10.748 12.393 -3.956 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.044 11.830 -5.348 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.026 12.643 -3.154 1.00 0.00 C ATOM 0 H LEU A 57 -7.718 10.379 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.259 11.555 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.094 10.446 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.906 11.678 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.262 13.359 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.727 12.498 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.115 11.745 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.502 10.845 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.690 13.295 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.527 11.694 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.774 13.118 -2.206 1.00 0.00 H new ATOM 936 N ASN A 58 -6.455 12.877 -2.666 1.00 0.00 N ATOM 937 CA ASN A 58 -5.746 14.071 -2.238 1.00 0.00 C ATOM 938 C ASN A 58 -5.681 15.065 -3.399 1.00 0.00 C ATOM 939 O ASN A 58 -5.609 16.274 -3.183 1.00 0.00 O ATOM 940 CB ASN A 58 -4.312 13.740 -1.818 1.00 0.00 C ATOM 941 CG ASN A 58 -4.142 13.861 -0.303 1.00 0.00 C ATOM 942 OD1 ASN A 58 -4.660 14.972 0.212 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 -3.578 13.002 0.355 1.00 0.00 N flip ATOM 0 H ASN A 58 -5.925 12.010 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.282 14.494 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.061 12.728 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.618 14.414 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.203 12.172 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.482 13.114 1.364 1.00 0.00 H new ATOM 950 N ASP A 59 -5.710 14.518 -4.606 1.00 0.00 N ATOM 951 CA ASP A 59 -5.656 15.342 -5.801 1.00 0.00 C ATOM 952 C ASP A 59 -6.538 16.577 -5.605 1.00 0.00 C ATOM 953 O ASP A 59 -6.209 17.662 -6.083 1.00 0.00 O ATOM 954 CB ASP A 59 -6.175 14.578 -7.021 1.00 0.00 C ATOM 955 CG ASP A 59 -6.533 15.450 -8.226 1.00 0.00 C ATOM 956 OD1 ASP A 59 -7.716 15.632 -8.554 1.00 0.00 O ATOM 957 OD2 ASP A 59 -5.525 15.961 -8.849 1.00 0.00 O ATOM 0 H ASP A 59 -5.770 13.515 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.617 15.625 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.419 13.855 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.058 14.011 -6.727 1.00 0.00 H new ATOM 963 N LYS A 60 -7.642 16.370 -4.902 1.00 0.00 N ATOM 964 CA LYS A 60 -8.574 17.453 -4.638 1.00 0.00 C ATOM 965 C LYS A 60 -7.791 18.722 -4.297 1.00 0.00 C ATOM 966 O LYS A 60 -8.126 19.808 -4.768 1.00 0.00 O ATOM 967 CB LYS A 60 -9.580 17.042 -3.560 1.00 0.00 C ATOM 968 CG LYS A 60 -10.894 16.572 -4.187 1.00 0.00 C ATOM 969 CD LYS A 60 -12.094 17.245 -3.519 1.00 0.00 C ATOM 970 CE LYS A 60 -12.332 16.675 -2.119 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.441 17.392 -1.450 1.00 0.00 N ATOM 0 H LYS A 60 -7.912 15.469 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.165 17.673 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.158 16.244 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.771 17.885 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.893 16.798 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.980 15.490 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.923 18.320 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.984 17.100 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.566 15.613 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.423 16.763 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.590 16.993 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.203 18.401 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.311 17.286 -2.010 1.00 0.00 H new ATOM 984 N ASP A 61 -6.764 18.544 -3.479 1.00 0.00 N ATOM 985 CA ASP A 61 -5.931 19.662 -3.070 1.00 0.00 C ATOM 986 C ASP A 61 -4.461 19.315 -3.318 1.00 0.00 C ATOM 987 O ASP A 61 -3.948 18.341 -2.770 1.00 0.00 O ATOM 988 CB ASP A 61 -6.101 19.957 -1.578 1.00 0.00 C ATOM 989 CG ASP A 61 -7.444 19.530 -0.983 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.502 19.700 -1.606 1.00 0.00 O ATOM 991 OD2 ASP A 61 -7.376 18.994 0.189 1.00 0.00 O ATOM 0 H ASP A 61 -6.490 17.642 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.231 20.536 -3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.303 19.456 -1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.974 21.028 -1.418 1.00 0.00 H new ATOM 997 N GLU A 62 -3.827 20.131 -4.146 1.00 0.00 N ATOM 998 CA GLU A 62 -2.426 19.924 -4.474 1.00 0.00 C ATOM 999 C GLU A 62 -1.552 20.158 -3.241 1.00 0.00 C ATOM 1000 O GLU A 62 -0.403 19.721 -3.198 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.995 20.825 -5.632 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.803 20.224 -6.380 1.00 0.00 C ATOM 1003 CD GLU A 62 0.361 21.213 -6.443 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.177 22.361 -6.878 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.490 20.756 -6.019 1.00 0.00 O ATOM 0 H GLU A 62 -4.257 20.937 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.297 18.890 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.829 20.963 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.730 21.811 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.481 19.309 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.105 19.948 -7.390 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.129 20.848 -2.268 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.416 21.146 -1.038 1.00 0.00 C ATOM 1015 C ASP A 63 -1.425 19.910 -0.136 1.00 0.00 C ATOM 1016 O ASP A 63 -0.425 19.601 0.510 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.086 22.292 -0.277 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.146 23.420 0.154 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -0.677 24.212 -0.676 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -0.895 23.467 1.419 1.00 0.00 O ATOM 0 H ASP A 63 -3.082 21.209 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.398 21.434 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.872 22.714 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.571 21.884 0.610 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.566 19.237 -0.120 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.719 18.042 0.692 1.00 0.00 C ATOM 1028 C ALA A 64 -2.102 16.850 -0.042 1.00 0.00 C ATOM 1029 O ALA A 64 -1.716 15.864 0.584 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.200 17.827 1.010 1.00 0.00 C ATOM 0 H ALA A 64 -3.394 19.497 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.194 18.153 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.315 16.930 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.584 18.689 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.758 17.709 0.081 1.00 0.00 H new ATOM 1036 N VAL A 65 -2.029 16.980 -1.358 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.465 15.925 -2.183 1.00 0.00 C ATOM 1038 C VAL A 65 0.061 15.951 -2.066 1.00 0.00 C ATOM 1039 O VAL A 65 0.696 14.904 -1.953 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.956 16.070 -3.625 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.932 16.822 -4.480 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.282 14.705 -4.234 1.00 0.00 C ATOM 0 H VAL A 65 -2.351 17.799 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.801 14.948 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.874 16.657 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.305 16.911 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.771 17.817 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.010 16.274 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.629 14.837 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.387 14.082 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.063 14.222 -3.647 1.00 0.00 H new ATOM 1052 N LYS A 66 0.604 17.159 -2.097 1.00 0.00 N ATOM 1053 CA LYS A 66 2.043 17.335 -1.995 1.00 0.00 C ATOM 1054 C LYS A 66 2.489 17.030 -0.564 1.00 0.00 C ATOM 1055 O LYS A 66 3.349 16.178 -0.347 1.00 0.00 O ATOM 1056 CB LYS A 66 2.447 18.728 -2.481 1.00 0.00 C ATOM 1057 CG LYS A 66 3.922 18.761 -2.886 1.00 0.00 C ATOM 1058 CD LYS A 66 4.241 20.016 -3.701 1.00 0.00 C ATOM 1059 CE LYS A 66 5.663 19.960 -4.261 1.00 0.00 C ATOM 1060 NZ LYS A 66 6.107 21.308 -4.683 1.00 0.00 N ATOM 0 H LYS A 66 0.074 18.025 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 66 2.561 16.632 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.827 19.015 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.266 19.459 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.548 18.734 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.162 17.873 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.528 20.113 -4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.128 20.900 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.343 19.567 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.700 19.276 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.074 21.252 -5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.468 21.669 -5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.091 21.951 -3.865 1.00 0.00 H new ATOM 1073 N ALA A 67 1.886 17.743 0.376 1.00 0.00 N ATOM 1074 CA ALA A 67 2.211 17.559 1.780 1.00 0.00 C ATOM 1075 C ALA A 67 1.827 16.141 2.205 1.00 0.00 C ATOM 1076 O ALA A 67 2.654 15.405 2.744 1.00 0.00 O ATOM 1077 CB ALA A 67 1.502 18.629 2.613 1.00 0.00 C ATOM 0 H ALA A 67 1.174 18.450 0.192 1.00 0.00 H new ATOM 0 HA ALA A 67 3.282 17.675 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.746 18.491 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.830 19.617 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.424 18.542 2.476 1.00 0.00 H new ATOM 1083 N GLY A 68 0.574 15.798 1.948 1.00 0.00 N ATOM 1084 CA GLY A 68 0.070 14.481 2.299 1.00 0.00 C ATOM 1085 C GLY A 68 1.032 13.386 1.834 1.00 0.00 C ATOM 1086 O GLY A 68 1.567 12.636 2.651 1.00 0.00 O ATOM 0 H GLY A 68 -0.108 16.410 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.067 14.416 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.908 14.328 1.843 1.00 0.00 H new ATOM 1090 N ILE A 69 1.223 13.327 0.524 1.00 0.00 N ATOM 1091 CA ILE A 69 2.111 12.336 -0.058 1.00 0.00 C ATOM 1092 C ILE A 69 3.471 12.403 0.637 1.00 0.00 C ATOM 1093 O ILE A 69 4.114 11.377 0.855 1.00 0.00 O ATOM 1094 CB ILE A 69 2.187 12.511 -1.576 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.474 11.178 -2.270 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.210 13.585 -1.955 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.521 11.349 -3.790 1.00 0.00 C ATOM 0 H ILE A 69 0.778 13.950 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 69 1.719 11.332 0.105 1.00 0.00 H new ATOM 0 HB ILE A 69 1.214 12.854 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.424 10.777 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.704 10.453 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.244 13.689 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.921 14.536 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.195 13.296 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.727 10.386 -4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.562 11.727 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.308 12.056 -4.052 1.00 0.00 H new ATOM 1109 N LYS A 70 3.871 13.624 0.967 1.00 0.00 N ATOM 1110 CA LYS A 70 5.144 13.839 1.634 1.00 0.00 C ATOM 1111 C LYS A 70 5.147 13.095 2.971 1.00 0.00 C ATOM 1112 O LYS A 70 6.177 12.572 3.392 1.00 0.00 O ATOM 1113 CB LYS A 70 5.436 15.335 1.762 1.00 0.00 C ATOM 1114 CG LYS A 70 6.732 15.706 1.038 1.00 0.00 C ATOM 1115 CD LYS A 70 6.437 16.351 -0.318 1.00 0.00 C ATOM 1116 CE LYS A 70 7.567 16.076 -1.313 1.00 0.00 C ATOM 1117 NZ LYS A 70 8.386 17.292 -1.515 1.00 0.00 N ATOM 0 H LYS A 70 3.336 14.473 0.785 1.00 0.00 H new ATOM 0 HA LYS A 70 5.960 13.428 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.607 15.908 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.514 15.605 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.312 16.394 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.341 14.814 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.498 15.963 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.311 17.426 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.195 15.265 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.150 15.749 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.148 17.089 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.787 18.056 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.799 17.587 -0.607 1.00 0.00 H new ATOM 1130 N ALA A 71 3.981 13.073 3.601 1.00 0.00 N ATOM 1131 CA ALA A 71 3.837 12.403 4.883 1.00 0.00 C ATOM 1132 C ALA A 71 3.879 10.888 4.668 1.00 0.00 C ATOM 1133 O ALA A 71 4.435 10.158 5.486 1.00 0.00 O ATOM 1134 CB ALA A 71 2.541 12.860 5.555 1.00 0.00 C ATOM 0 H ALA A 71 3.128 13.508 3.248 1.00 0.00 H new ATOM 0 HA ALA A 71 4.659 12.666 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.433 12.358 6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.572 13.938 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.693 12.610 4.918 1.00 0.00 H new ATOM 1140 N LEU A 72 3.284 10.462 3.564 1.00 0.00 N ATOM 1141 CA LEU A 72 3.247 9.048 3.232 1.00 0.00 C ATOM 1142 C LEU A 72 4.635 8.599 2.774 1.00 0.00 C ATOM 1143 O LEU A 72 4.972 7.420 2.864 1.00 0.00 O ATOM 1144 CB LEU A 72 2.142 8.766 2.211 1.00 0.00 C ATOM 1145 CG LEU A 72 1.716 7.304 2.070 1.00 0.00 C ATOM 1146 CD1 LEU A 72 1.046 6.802 3.352 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.824 7.107 0.843 1.00 0.00 C ATOM 0 H LEU A 72 2.824 11.071 2.888 1.00 0.00 H new ATOM 0 HA LEU A 72 2.995 8.457 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.266 9.354 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.476 9.122 1.236 1.00 0.00 H new ATOM 0 HG LEU A 72 2.611 6.702 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.753 5.760 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.745 6.883 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.162 7.405 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.536 6.058 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.070 7.723 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.370 7.399 -0.054 1.00 0.00 H new ATOM 1159 N GLN A 73 5.405 9.565 2.293 1.00 0.00 N ATOM 1160 CA GLN A 73 6.750 9.284 1.821 1.00 0.00 C ATOM 1161 C GLN A 73 7.696 9.074 3.006 1.00 0.00 C ATOM 1162 O GLN A 73 8.497 8.140 3.008 1.00 0.00 O ATOM 1163 CB GLN A 73 7.256 10.401 0.908 1.00 0.00 C ATOM 1164 CG GLN A 73 7.388 9.914 -0.536 1.00 0.00 C ATOM 1165 CD GLN A 73 7.956 11.012 -1.437 1.00 0.00 C ATOM 1166 OE1 GLN A 73 8.248 12.115 -1.006 1.00 0.00 O ATOM 1167 NE2 GLN A 73 8.093 10.651 -2.710 1.00 0.00 N ATOM 0 H GLN A 73 5.123 10.542 2.220 1.00 0.00 H new ATOM 0 HA GLN A 73 6.723 8.365 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.570 11.247 0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.222 10.757 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.037 9.039 -0.570 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.412 9.602 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.829 9.711 -3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.462 11.314 -3.391 1.00 0.00 H new ATOM 1176 N GLU A 74 7.571 9.957 3.985 1.00 0.00 N ATOM 1177 CA GLU A 74 8.404 9.881 5.172 1.00 0.00 C ATOM 1178 C GLU A 74 8.031 8.652 6.005 1.00 0.00 C ATOM 1179 O GLU A 74 8.890 8.044 6.641 1.00 0.00 O ATOM 1180 CB GLU A 74 8.293 11.160 6.004 1.00 0.00 C ATOM 1181 CG GLU A 74 6.923 11.258 6.679 1.00 0.00 C ATOM 1182 CD GLU A 74 6.900 12.388 7.710 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.571 13.413 7.522 1.00 0.00 O ATOM 1184 OE2 GLU A 74 6.148 12.175 8.737 1.00 0.00 O ATOM 0 H GLU A 74 6.905 10.729 3.980 1.00 0.00 H new ATOM 0 HA GLU A 74 9.442 9.781 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.077 11.175 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.450 12.029 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.154 11.432 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.685 10.312 7.165 1.00 0.00 H new ATOM 1192 N ALA A 75 6.748 8.323 5.972 1.00 0.00 N ATOM 1193 CA ALA A 75 6.250 7.177 6.715 1.00 0.00 C ATOM 1194 C ALA A 75 6.424 5.912 5.872 1.00 0.00 C ATOM 1195 O ALA A 75 5.900 4.855 6.217 1.00 0.00 O ATOM 1196 CB ALA A 75 4.792 7.419 7.109 1.00 0.00 C ATOM 0 H ALA A 75 6.038 8.830 5.443 1.00 0.00 H new ATOM 0 HA ALA A 75 6.818 7.040 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.418 6.560 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.727 8.311 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.191 7.558 6.211 1.00 0.00 H new ATOM 1202 N SER A 76 7.162 6.064 4.782 1.00 0.00 N ATOM 1203 CA SER A 76 7.412 4.947 3.887 1.00 0.00 C ATOM 1204 C SER A 76 8.020 3.778 4.665 1.00 0.00 C ATOM 1205 O SER A 76 7.343 2.787 4.931 1.00 0.00 O ATOM 1206 CB SER A 76 8.336 5.358 2.738 1.00 0.00 C ATOM 1207 OG SER A 76 8.673 4.254 1.904 1.00 0.00 O ATOM 0 H SER A 76 7.595 6.943 4.499 1.00 0.00 H new ATOM 0 HA SER A 76 6.460 4.633 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.850 6.129 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.247 5.797 3.145 1.00 0.00 H new ATOM 0 HG SER A 76 9.262 4.557 1.182 1.00 0.00 H new ATOM 1213 N GLY A 77 9.291 3.934 5.008 1.00 0.00 N ATOM 1214 CA GLY A 77 9.998 2.905 5.750 1.00 0.00 C ATOM 1215 C GLY A 77 9.211 2.488 6.994 1.00 0.00 C ATOM 1216 O GLY A 77 9.446 1.417 7.551 1.00 0.00 O ATOM 0 H GLY A 77 9.849 4.758 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.161 2.037 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.981 3.274 6.044 1.00 0.00 H new ATOM 1220 N PHE A 78 8.293 3.356 7.393 1.00 0.00 N ATOM 1221 CA PHE A 78 7.469 3.091 8.561 1.00 0.00 C ATOM 1222 C PHE A 78 6.393 2.050 8.248 1.00 0.00 C ATOM 1223 O PHE A 78 6.148 1.147 9.048 1.00 0.00 O ATOM 1224 CB PHE A 78 6.792 4.409 8.938 1.00 0.00 C ATOM 1225 CG PHE A 78 7.261 4.991 10.274 1.00 0.00 C ATOM 1226 CD1 PHE A 78 7.262 4.215 11.390 1.00 0.00 C ATOM 1227 CD2 PHE A 78 7.680 6.283 10.343 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.697 4.754 12.629 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.116 6.822 11.582 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.115 6.047 12.700 1.00 0.00 C ATOM 0 H PHE A 78 8.101 4.244 6.928 1.00 0.00 H new ATOM 0 HA PHE A 78 8.086 2.704 9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.978 5.139 8.150 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.714 4.253 8.980 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.932 3.188 11.334 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.681 6.899 9.456 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.696 4.138 13.516 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.449 7.848 11.637 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.446 6.457 13.643 1.00 0.00 H new ATOM 1240 N ILE A 79 5.782 2.208 7.085 1.00 0.00 N ATOM 1241 CA ILE A 79 4.737 1.293 6.657 1.00 0.00 C ATOM 1242 C ILE A 79 5.364 -0.054 6.290 1.00 0.00 C ATOM 1243 O ILE A 79 4.798 -1.107 6.581 1.00 0.00 O ATOM 1244 CB ILE A 79 3.909 1.913 5.530 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.810 2.422 4.403 1.00 0.00 C ATOM 1246 CG2 ILE A 79 2.987 3.009 6.066 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.014 2.631 3.114 1.00 0.00 C ATOM 0 H ILE A 79 5.990 2.957 6.424 1.00 0.00 H new ATOM 0 HA ILE A 79 4.036 1.108 7.471 1.00 0.00 H new ATOM 0 HB ILE A 79 3.273 1.136 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.277 3.360 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.614 1.708 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.410 3.433 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.308 2.584 6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.585 3.792 6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.679 2.993 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.569 1.686 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.226 3.364 3.288 1.00 0.00 H new ATOM 1259 N ARG A 80 6.526 0.023 5.658 1.00 0.00 N ATOM 1260 CA ARG A 80 7.235 -1.177 5.248 1.00 0.00 C ATOM 1261 C ARG A 80 7.721 -1.951 6.475 1.00 0.00 C ATOM 1262 O ARG A 80 7.549 -3.166 6.554 1.00 0.00 O ATOM 1263 CB ARG A 80 8.436 -0.832 4.364 1.00 0.00 C ATOM 1264 CG ARG A 80 9.395 -2.019 4.253 1.00 0.00 C ATOM 1265 CD ARG A 80 10.558 -1.698 3.312 1.00 0.00 C ATOM 1266 NE ARG A 80 11.774 -1.391 4.098 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.914 -0.900 3.567 1.00 0.00 C ATOM 1268 NH1 ARG A 80 13.004 -0.656 2.242 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.940 -0.662 4.363 1.00 0.00 N ATOM 0 H ARG A 80 6.994 0.897 5.420 1.00 0.00 H new ATOM 0 HA ARG A 80 6.541 -1.793 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.090 -0.545 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.962 0.028 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.781 -2.273 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.857 -2.893 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.746 -2.544 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.301 -0.849 2.678 1.00 0.00 H new ATOM 0 HE ARG A 80 11.749 -1.561 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.207 -0.843 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.869 -0.285 1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.864 -0.849 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.809 -0.291 3.978 1.00 0.00 H new ATOM 1282 N SER A 81 8.317 -1.215 7.402 1.00 0.00 N ATOM 1283 CA SER A 81 8.829 -1.817 8.621 1.00 0.00 C ATOM 1284 C SER A 81 7.667 -2.230 9.528 1.00 0.00 C ATOM 1285 O SER A 81 7.733 -3.262 10.195 1.00 0.00 O ATOM 1286 CB SER A 81 9.764 -0.857 9.360 1.00 0.00 C ATOM 1287 OG SER A 81 10.387 -1.477 10.481 1.00 0.00 O ATOM 0 H SER A 81 8.457 -0.207 7.333 1.00 0.00 H new ATOM 0 HA SER A 81 9.403 -2.703 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.530 -0.496 8.673 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.200 0.014 9.694 1.00 0.00 H new ATOM 0 HG SER A 81 10.977 -0.833 10.925 1.00 0.00 H new ATOM 1293 N LEU A 82 6.632 -1.403 9.523 1.00 0.00 N ATOM 1294 CA LEU A 82 5.458 -1.670 10.337 1.00 0.00 C ATOM 1295 C LEU A 82 4.784 -2.953 9.848 1.00 0.00 C ATOM 1296 O LEU A 82 4.210 -3.698 10.640 1.00 0.00 O ATOM 1297 CB LEU A 82 4.529 -0.454 10.351 1.00 0.00 C ATOM 1298 CG LEU A 82 3.237 -0.606 11.156 1.00 0.00 C ATOM 1299 CD1 LEU A 82 3.237 0.320 12.373 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.010 -0.389 10.269 1.00 0.00 C ATOM 0 H LEU A 82 6.582 -0.548 8.969 1.00 0.00 H new ATOM 0 HA LEU A 82 5.744 -1.836 11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.083 0.397 10.748 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.266 -0.211 9.322 1.00 0.00 H new ATOM 0 HG LEU A 82 3.186 -1.628 11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.307 0.192 12.928 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.081 0.074 13.017 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.323 1.355 12.043 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.105 -0.503 10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.041 0.614 9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.008 -1.124 9.464 1.00 0.00 H new ATOM 1312 N LEU A 83 4.877 -3.172 8.545 1.00 0.00 N ATOM 1313 CA LEU A 83 4.283 -4.352 7.940 1.00 0.00 C ATOM 1314 C LEU A 83 5.082 -5.590 8.355 1.00 0.00 C ATOM 1315 O LEU A 83 4.548 -6.491 8.998 1.00 0.00 O ATOM 1316 CB LEU A 83 4.165 -4.178 6.425 1.00 0.00 C ATOM 1317 CG LEU A 83 3.087 -3.205 5.944 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.463 -2.591 4.595 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.715 -3.883 5.903 1.00 0.00 C ATOM 0 H LEU A 83 5.355 -2.552 7.891 1.00 0.00 H new ATOM 0 HA LEU A 83 3.264 -4.492 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.128 -3.841 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.970 -5.154 5.981 1.00 0.00 H new ATOM 0 HG LEU A 83 3.021 -2.387 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.679 -1.904 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.404 -2.049 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.574 -3.382 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.967 -3.170 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.749 -4.732 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.451 -4.231 6.902 1.00 0.00 H new ATOM 1331 N GLY A 84 6.350 -5.592 7.970 1.00 0.00 N ATOM 1332 CA GLY A 84 7.228 -6.703 8.294 1.00 0.00 C ATOM 1333 C GLY A 84 7.050 -7.137 9.751 1.00 0.00 C ATOM 1334 O GLY A 84 6.951 -8.328 10.041 1.00 0.00 O ATOM 0 H GLY A 84 6.790 -4.842 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.017 -7.543 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.265 -6.414 8.121 1.00 0.00 H new ATOM 1338 N LYS A 85 7.014 -6.146 10.630 1.00 0.00 N ATOM 1339 CA LYS A 85 6.848 -6.409 12.049 1.00 0.00 C ATOM 1340 C LYS A 85 5.395 -6.803 12.325 1.00 0.00 C ATOM 1341 O LYS A 85 5.132 -7.701 13.123 1.00 0.00 O ATOM 1342 CB LYS A 85 7.329 -5.215 12.876 1.00 0.00 C ATOM 1343 CG LYS A 85 8.731 -5.464 13.434 1.00 0.00 C ATOM 1344 CD LYS A 85 9.048 -4.493 14.573 1.00 0.00 C ATOM 1345 CE LYS A 85 9.700 -3.216 14.039 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.892 -2.867 14.843 1.00 0.00 N ATOM 0 H LYS A 85 7.097 -5.159 10.386 1.00 0.00 H new ATOM 0 HA LYS A 85 7.470 -7.250 12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.334 -4.318 12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.634 -5.033 13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.806 -6.490 13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.468 -5.351 12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.132 -4.242 15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.714 -4.973 15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.985 -3.355 12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.983 -2.396 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.322 -1.998 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.611 -2.714 15.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.582 -3.643 14.796 1.00 0.00 H new ATOM 1359 N ALA A 86 4.490 -6.111 11.649 1.00 0.00 N ATOM 1360 CA ALA A 86 3.070 -6.376 11.810 1.00 0.00 C ATOM 1361 C ALA A 86 2.777 -7.823 11.404 1.00 0.00 C ATOM 1362 O ALA A 86 1.883 -8.458 11.961 1.00 0.00 O ATOM 1363 CB ALA A 86 2.265 -5.367 10.990 1.00 0.00 C ATOM 0 H ALA A 86 4.712 -5.367 10.988 1.00 0.00 H new ATOM 0 HA ALA A 86 2.774 -6.258 12.852 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.200 -5.566 11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.487 -4.357 11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.533 -5.457 9.937 1.00 0.00 H new ATOM 1369 N MET A 87 3.548 -8.300 10.438 1.00 0.00 N ATOM 1370 CA MET A 87 3.382 -9.660 9.952 1.00 0.00 C ATOM 1371 C MET A 87 4.591 -10.524 10.316 1.00 0.00 C ATOM 1372 O MET A 87 4.764 -11.614 9.776 1.00 0.00 O ATOM 1373 CB MET A 87 3.207 -9.640 8.432 1.00 0.00 C ATOM 1374 CG MET A 87 2.261 -8.517 8.004 1.00 0.00 C ATOM 1375 SD MET A 87 3.073 -7.453 6.822 1.00 0.00 S ATOM 1376 CE MET A 87 1.889 -7.513 5.486 1.00 0.00 C ATOM 0 H MET A 87 4.289 -7.770 9.979 1.00 0.00 H new ATOM 0 HA MET A 87 2.498 -10.090 10.423 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.177 -9.506 7.952 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.814 -10.599 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.357 -8.939 7.565 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.952 -7.938 8.875 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.369 -7.196 4.560 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.519 -8.532 5.373 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.055 -6.847 5.709 1.00 0.00 H new ATOM 1386 N ARG A 88 5.396 -10.003 11.231 1.00 0.00 N ATOM 1387 CA ARG A 88 6.583 -10.714 11.674 1.00 0.00 C ATOM 1388 C ARG A 88 7.020 -11.730 10.616 1.00 0.00 C ATOM 1389 O ARG A 88 6.760 -12.924 10.754 1.00 0.00 O ATOM 1390 CB ARG A 88 6.329 -11.440 12.996 1.00 0.00 C ATOM 1391 CG ARG A 88 6.405 -10.471 14.177 1.00 0.00 C ATOM 1392 CD ARG A 88 6.539 -11.229 15.500 1.00 0.00 C ATOM 1393 NE ARG A 88 6.701 -10.272 16.618 1.00 0.00 N ATOM 1394 CZ ARG A 88 6.922 -10.635 17.899 1.00 0.00 C ATOM 1395 NH1 ARG A 88 7.011 -11.939 18.235 1.00 0.00 N ATOM 1396 NH2 ARG A 88 7.051 -9.695 18.817 1.00 0.00 N ATOM 0 H ARG A 88 5.249 -9.098 11.677 1.00 0.00 H new ATOM 0 HA ARG A 88 7.373 -9.978 11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.348 -11.914 12.972 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.063 -12.235 13.125 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.256 -9.802 14.049 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.511 -9.848 14.199 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.657 -11.848 15.665 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.396 -11.901 15.458 1.00 0.00 H new ATOM 0 HE ARG A 88 6.642 -9.276 16.407 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.911 -12.658 17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.178 -12.205 19.205 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.983 -8.712 18.553 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.218 -9.952 19.790 1.00 0.00 H new ATOM 1409 N LEU A 89 7.675 -11.218 9.585 1.00 0.00 N ATOM 1410 CA LEU A 89 8.149 -12.067 8.505 1.00 0.00 C ATOM 1411 C LEU A 89 9.672 -11.964 8.413 1.00 0.00 C ATOM 1412 O LEU A 89 10.344 -11.720 9.415 1.00 0.00 O ATOM 1413 CB LEU A 89 7.430 -11.723 7.198 1.00 0.00 C ATOM 1414 CG LEU A 89 6.932 -12.912 6.375 1.00 0.00 C ATOM 1415 CD1 LEU A 89 5.884 -13.714 7.149 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.410 -12.454 5.011 1.00 0.00 C ATOM 0 H LEU A 89 7.889 -10.227 9.474 1.00 0.00 H new ATOM 0 HA LEU A 89 7.911 -13.111 8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.577 -11.086 7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.107 -11.135 6.578 1.00 0.00 H new ATOM 0 HG LEU A 89 7.776 -13.577 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.547 -14.554 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.323 -14.089 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.035 -13.072 7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.062 -13.318 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.584 -11.757 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.212 -11.960 4.462 1.00 0.00 H new ATOM 1428 N ARG A 90 10.175 -12.156 7.202 1.00 0.00 N ATOM 1429 CA ARG A 90 11.607 -12.088 6.967 1.00 0.00 C ATOM 1430 C ARG A 90 11.889 -11.561 5.558 1.00 0.00 C ATOM 1431 O ARG A 90 12.756 -10.708 5.372 1.00 0.00 O ATOM 1432 CB ARG A 90 12.258 -13.463 7.130 1.00 0.00 C ATOM 1433 CG ARG A 90 11.506 -14.524 6.324 1.00 0.00 C ATOM 1434 CD ARG A 90 11.762 -15.924 6.887 1.00 0.00 C ATOM 1435 NE ARG A 90 11.980 -16.882 5.781 1.00 0.00 N ATOM 1436 CZ ARG A 90 10.995 -17.372 4.998 1.00 0.00 C ATOM 1437 NH1 ARG A 90 9.713 -16.995 5.194 1.00 0.00 N ATOM 1438 NH2 ARG A 90 11.304 -18.223 4.038 1.00 0.00 N ATOM 0 H ARG A 90 9.616 -12.359 6.373 1.00 0.00 H new ATOM 0 HA ARG A 90 12.032 -11.408 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.296 -13.419 6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.269 -13.742 8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.437 -14.310 6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.821 -14.484 5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.633 -15.908 7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.913 -16.242 7.493 1.00 0.00 H new ATOM 0 HE ARG A 90 12.934 -17.192 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.483 -16.336 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.975 -17.370 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.275 -18.501 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.572 -18.602 3.438 1.00 0.00 H new ATOM 1451 N ILE A 91 11.142 -12.092 4.601 1.00 0.00 N ATOM 1452 CA ILE A 91 11.301 -11.687 3.215 1.00 0.00 C ATOM 1453 C ILE A 91 11.590 -10.185 3.158 1.00 0.00 C ATOM 1454 O ILE A 91 12.370 -9.731 2.321 1.00 0.00 O ATOM 1455 CB ILE A 91 10.084 -12.111 2.390 1.00 0.00 C ATOM 1456 CG1 ILE A 91 8.784 -11.828 3.146 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.193 -13.576 1.966 1.00 0.00 C ATOM 1458 CD1 ILE A 91 7.765 -11.130 2.242 1.00 0.00 C ATOM 0 H ILE A 91 10.425 -12.800 4.759 1.00 0.00 H new ATOM 0 HA ILE A 91 12.154 -12.194 2.765 1.00 0.00 H new ATOM 0 HB ILE A 91 10.063 -11.513 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.365 -12.763 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.993 -11.204 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.316 -13.852 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.090 -13.714 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.252 -14.208 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.850 -10.940 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.178 -10.184 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.540 -11.768 1.387 1.00 0.00 H new ATOM 1470 N VAL A 92 10.948 -9.456 4.058 1.00 0.00 N ATOM 1471 CA VAL A 92 11.127 -8.015 4.121 1.00 0.00 C ATOM 1472 C VAL A 92 11.594 -7.505 2.756 1.00 0.00 C ATOM 1473 O VAL A 92 12.671 -6.923 2.643 1.00 0.00 O ATOM 1474 CB VAL A 92 12.088 -7.656 5.255 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.276 -6.141 5.356 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.609 -8.239 6.585 1.00 0.00 C ATOM 0 H VAL A 92 10.303 -9.836 4.750 1.00 0.00 H new ATOM 0 HA VAL A 92 10.182 -7.521 4.347 1.00 0.00 H new ATOM 0 HB VAL A 92 13.057 -8.099 5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 92 12.964 -5.913 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.684 -5.762 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.314 -5.667 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.310 -7.969 7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.623 -7.840 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.552 -9.325 6.507 1.00 0.00 H new ATOM 1486 N PRO A 93 10.738 -7.747 1.728 1.00 0.00 N ATOM 1487 CA PRO A 93 11.052 -7.318 0.375 1.00 0.00 C ATOM 1488 C PRO A 93 10.864 -5.807 0.222 1.00 0.00 C ATOM 1489 O PRO A 93 10.123 -5.190 0.986 1.00 0.00 O ATOM 1490 CB PRO A 93 10.125 -8.126 -0.518 1.00 0.00 C ATOM 1491 CG PRO A 93 9.012 -8.632 0.383 1.00 0.00 C ATOM 1492 CD PRO A 93 9.453 -8.433 1.824 1.00 0.00 C ATOM 0 HA PRO A 93 12.094 -7.494 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.725 -7.511 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.657 -8.955 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.087 -8.090 0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.811 -9.685 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.728 -7.840 2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.551 -9.386 2.343 1.00 0.00 H new ATOM 1500 N GLU A 94 11.547 -5.256 -0.771 1.00 0.00 N ATOM 1501 CA GLU A 94 11.465 -3.830 -1.034 1.00 0.00 C ATOM 1502 C GLU A 94 10.063 -3.461 -1.523 1.00 0.00 C ATOM 1503 O GLU A 94 9.889 -3.059 -2.672 1.00 0.00 O ATOM 1504 CB GLU A 94 12.530 -3.395 -2.043 1.00 0.00 C ATOM 1505 CG GLU A 94 13.282 -2.158 -1.549 1.00 0.00 C ATOM 1506 CD GLU A 94 14.455 -1.825 -2.472 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.443 -2.206 -3.652 1.00 0.00 O ATOM 1508 OE2 GLU A 94 15.404 -1.142 -1.925 1.00 0.00 O ATOM 0 H GLU A 94 12.160 -5.772 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 94 11.656 -3.297 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.234 -4.211 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.060 -3.180 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.600 -1.309 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.648 -2.331 -0.537 1.00 0.00 H new ATOM 1516 N LEU A 95 9.099 -3.611 -0.627 1.00 0.00 N ATOM 1517 CA LEU A 95 7.718 -3.298 -0.954 1.00 0.00 C ATOM 1518 C LEU A 95 7.550 -1.780 -1.037 1.00 0.00 C ATOM 1519 O LEU A 95 7.246 -1.129 -0.038 1.00 0.00 O ATOM 1520 CB LEU A 95 6.768 -3.968 0.041 1.00 0.00 C ATOM 1521 CG LEU A 95 5.440 -4.466 -0.533 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.250 -5.959 -0.256 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.269 -3.633 -0.009 1.00 0.00 C ATOM 0 H LEU A 95 9.247 -3.945 0.325 1.00 0.00 H new ATOM 0 HA LEU A 95 7.456 -3.702 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.285 -4.814 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.553 -3.260 0.841 1.00 0.00 H new ATOM 0 HG LEU A 95 5.466 -4.339 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.299 -6.288 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.063 -6.521 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.253 -6.133 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.337 -4.008 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.229 -3.705 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.405 -2.591 -0.298 1.00 0.00 H new ATOM 1535 N THR A 96 7.755 -1.258 -2.238 1.00 0.00 N ATOM 1536 CA THR A 96 7.629 0.171 -2.465 1.00 0.00 C ATOM 1537 C THR A 96 6.169 0.606 -2.330 1.00 0.00 C ATOM 1538 O THR A 96 5.261 -0.221 -2.399 1.00 0.00 O ATOM 1539 CB THR A 96 8.233 0.486 -3.835 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.308 1.909 -3.862 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.286 0.142 -4.986 1.00 0.00 C ATOM 0 H THR A 96 8.008 -1.800 -3.064 1.00 0.00 H new ATOM 0 HA THR A 96 8.175 0.741 -1.713 1.00 0.00 H new ATOM 0 HB THR A 96 9.166 -0.065 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.691 2.200 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.764 0.385 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.052 -0.922 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.366 0.718 -4.885 1.00 0.00 H new ATOM 1549 N PHE A 97 5.987 1.905 -2.139 1.00 0.00 N ATOM 1550 CA PHE A 97 4.653 2.460 -1.994 1.00 0.00 C ATOM 1551 C PHE A 97 4.342 3.445 -3.122 1.00 0.00 C ATOM 1552 O PHE A 97 4.823 4.577 -3.113 1.00 0.00 O ATOM 1553 CB PHE A 97 4.622 3.207 -0.659 1.00 0.00 C ATOM 1554 CG PHE A 97 3.392 2.899 0.198 1.00 0.00 C ATOM 1555 CD1 PHE A 97 3.068 1.610 0.485 1.00 0.00 C ATOM 1556 CD2 PHE A 97 2.623 3.916 0.673 1.00 0.00 C ATOM 1557 CE1 PHE A 97 1.927 1.325 1.280 1.00 0.00 C ATOM 1558 CE2 PHE A 97 1.481 3.631 1.469 1.00 0.00 C ATOM 1559 CZ PHE A 97 1.158 2.342 1.755 1.00 0.00 C ATOM 0 H PHE A 97 6.742 2.589 -2.081 1.00 0.00 H new ATOM 0 HA PHE A 97 3.913 1.661 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.519 2.956 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.658 4.279 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.679 0.803 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.881 4.940 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.669 0.301 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.870 4.438 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.290 2.125 2.360 1.00 0.00 H new ATOM 1569 N PHE A 98 3.540 2.978 -4.068 1.00 0.00 N ATOM 1570 CA PHE A 98 3.160 3.804 -5.202 1.00 0.00 C ATOM 1571 C PHE A 98 1.851 4.547 -4.925 1.00 0.00 C ATOM 1572 O PHE A 98 0.824 3.925 -4.659 1.00 0.00 O ATOM 1573 CB PHE A 98 2.956 2.863 -6.391 1.00 0.00 C ATOM 1574 CG PHE A 98 3.999 3.026 -7.499 1.00 0.00 C ATOM 1575 CD1 PHE A 98 4.195 4.241 -8.075 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.732 1.954 -7.906 1.00 0.00 C ATOM 1577 CE1 PHE A 98 5.164 4.392 -9.103 1.00 0.00 C ATOM 1578 CE2 PHE A 98 5.700 2.105 -8.932 1.00 0.00 C ATOM 1579 CZ PHE A 98 5.896 3.321 -9.510 1.00 0.00 C ATOM 0 H PHE A 98 3.143 2.038 -4.073 1.00 0.00 H new ATOM 0 HA PHE A 98 3.934 4.546 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.978 1.833 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.965 3.034 -6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.614 5.092 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.577 0.988 -7.448 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.319 5.358 -9.561 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.282 1.254 -9.255 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.633 3.435 -10.292 1.00 0.00 H new ATOM 1589 N TYR A 99 1.932 5.867 -4.995 1.00 0.00 N ATOM 1590 CA TYR A 99 0.766 6.702 -4.755 1.00 0.00 C ATOM 1591 C TYR A 99 0.172 7.205 -6.073 1.00 0.00 C ATOM 1592 O TYR A 99 0.708 8.125 -6.688 1.00 0.00 O ATOM 1593 CB TYR A 99 1.266 7.900 -3.945 1.00 0.00 C ATOM 1594 CG TYR A 99 2.676 7.724 -3.380 1.00 0.00 C ATOM 1595 CD1 TYR A 99 2.875 6.981 -2.235 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.752 8.311 -4.017 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.203 6.815 -1.704 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.081 8.146 -3.485 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.240 7.406 -2.355 1.00 0.00 C ATOM 1600 OH TYR A 99 6.495 7.250 -1.854 1.00 0.00 O ATOM 0 H TYR A 99 2.786 6.380 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.009 6.139 -4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.248 8.787 -4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.576 8.082 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.034 6.523 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.597 8.893 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.371 6.234 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.931 8.600 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 99 7.136 7.726 -2.422 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.928 6.580 -6.465 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.601 6.952 -7.698 1.00 0.00 C ATOM 1612 C ASP A 100 -2.872 7.735 -7.363 1.00 0.00 C ATOM 1613 O ASP A 100 -3.949 7.152 -7.237 1.00 0.00 O ATOM 1614 CB ASP A 100 -2.005 5.714 -8.500 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.836 5.842 -10.016 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.698 5.408 -10.794 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.749 6.424 -10.396 1.00 0.00 O ATOM 0 H ASP A 100 -1.370 5.818 -5.951 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.913 7.555 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.414 4.866 -8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.048 5.484 -8.284 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.706 9.042 -7.228 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.828 9.910 -6.910 1.00 0.00 C ATOM 1625 C ASN A 101 -4.419 10.467 -8.206 1.00 0.00 C ATOM 1626 O ASN A 101 -4.053 10.033 -9.297 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.381 11.092 -6.048 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.189 10.710 -5.167 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.059 9.588 -4.707 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.329 11.703 -4.961 1.00 0.00 N ATOM 0 H ASN A 101 -1.812 9.522 -7.333 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.565 9.323 -6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.110 11.931 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.209 11.423 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.500 11.549 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.499 12.619 -5.376 1.00 0.00 H new ATOM 1637 N SER A 102 -5.324 11.422 -8.044 1.00 0.00 N ATOM 1638 CA SER A 102 -5.969 12.043 -9.189 1.00 0.00 C ATOM 1639 C SER A 102 -5.181 13.280 -9.627 1.00 0.00 C ATOM 1640 O SER A 102 -5.690 14.110 -10.378 1.00 0.00 O ATOM 1641 CB SER A 102 -7.416 12.424 -8.865 1.00 0.00 C ATOM 1642 OG SER A 102 -7.764 12.102 -7.521 1.00 0.00 O ATOM 0 H SER A 102 -5.626 11.780 -7.138 1.00 0.00 H new ATOM 0 HA SER A 102 -5.984 11.322 -10.006 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.555 13.492 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.089 11.906 -9.548 1.00 0.00 H new ATOM 0 HG SER A 102 -8.632 12.502 -7.303 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.952 13.362 -9.138 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.089 14.483 -9.469 1.00 0.00 C ATOM 1650 C LEU A 103 -2.093 14.052 -10.549 1.00 0.00 C ATOM 1651 O LEU A 103 -1.231 14.832 -10.951 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.426 15.040 -8.208 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.574 16.297 -8.398 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.304 17.537 -7.877 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.198 16.129 -7.753 1.00 0.00 C ATOM 0 H LEU A 103 -3.534 12.671 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.673 15.305 -9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.205 15.260 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.797 14.261 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.413 16.443 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.677 18.417 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.240 17.664 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.515 17.415 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.387 17.036 -7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.317 15.946 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.318 15.285 -8.211 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.244 12.811 -10.986 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.368 12.267 -12.011 1.00 0.00 C ATOM 1669 C VAL A 104 -2.214 11.584 -13.087 1.00 0.00 C ATOM 1670 O VAL A 104 -1.676 11.001 -14.028 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.339 11.330 -11.376 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.074 10.118 -12.272 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.960 12.074 -11.063 1.00 0.00 C ATOM 0 H VAL A 104 -2.959 12.166 -10.650 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.806 13.065 -12.496 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.753 10.967 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.661 9.468 -11.797 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.002 9.567 -12.422 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.308 10.455 -13.236 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.674 11.385 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.378 12.479 -11.984 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.754 12.889 -10.369 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.525 11.678 -12.915 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.449 11.077 -13.860 1.00 0.00 C ATOM 1685 C GLU A 105 -5.753 11.876 -13.909 1.00 0.00 C ATOM 1686 O GLU A 105 -6.339 12.050 -14.977 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.718 9.612 -13.508 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.428 8.791 -13.558 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.730 7.309 -13.788 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -3.486 6.481 -12.897 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -4.237 7.029 -14.940 1.00 0.00 O ATOM 0 H GLU A 105 -3.968 12.162 -12.134 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.993 11.102 -14.850 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.156 9.548 -12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.446 9.195 -14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.786 9.163 -14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.878 8.913 -12.625 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.169 12.342 -12.741 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.392 13.119 -12.637 1.00 0.00 C ATOM 1701 C GLY A 106 -8.616 12.206 -12.548 1.00 0.00 C ATOM 1702 O GLY A 106 -9.736 12.679 -12.359 1.00 0.00 O ATOM 0 H GLY A 106 -5.680 12.196 -11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.347 13.759 -11.756 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.485 13.775 -13.503 1.00 0.00 H new ATOM 1706 N MET A 107 -8.362 10.914 -12.688 1.00 0.00 N ATOM 1707 CA MET A 107 -9.429 9.929 -12.625 1.00 0.00 C ATOM 1708 C MET A 107 -9.146 8.882 -11.546 1.00 0.00 C ATOM 1709 O MET A 107 -9.629 7.754 -11.630 1.00 0.00 O ATOM 1710 CB MET A 107 -9.567 9.238 -13.984 1.00 0.00 C ATOM 1711 CG MET A 107 -9.769 10.264 -15.103 1.00 0.00 C ATOM 1712 SD MET A 107 -8.750 9.843 -16.506 1.00 0.00 S ATOM 1713 CE MET A 107 -7.164 9.686 -15.702 1.00 0.00 C ATOM 0 H MET A 107 -7.432 10.525 -12.845 1.00 0.00 H new ATOM 0 HA MET A 107 -10.357 10.442 -12.372 1.00 0.00 H new ATOM 0 HB2 MET A 107 -8.675 8.644 -14.186 1.00 0.00 H new ATOM 0 HB3 MET A 107 -10.411 8.548 -13.961 1.00 0.00 H new ATOM 0 HG2 MET A 107 -10.818 10.290 -15.399 1.00 0.00 H new ATOM 0 HG3 MET A 107 -9.514 11.261 -14.744 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.425 10.284 -16.235 1.00 0.00 H new ATOM 0 HE2 MET A 107 -7.241 10.037 -14.673 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.856 8.640 -15.706 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.365 9.293 -10.558 1.00 0.00 N ATOM 1724 CA ARG A 108 -8.013 8.404 -9.465 1.00 0.00 C ATOM 1725 C ARG A 108 -8.733 8.827 -8.183 1.00 0.00 C ATOM 1726 O ARG A 108 -8.806 8.060 -7.225 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.502 8.406 -9.218 1.00 0.00 C ATOM 1728 CG ARG A 108 -5.866 7.101 -9.697 1.00 0.00 C ATOM 1729 CD ARG A 108 -5.695 7.099 -11.217 1.00 0.00 C ATOM 1730 NE ARG A 108 -5.729 5.711 -11.730 1.00 0.00 N ATOM 1731 CZ ARG A 108 -6.062 5.380 -12.995 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -6.392 6.336 -13.890 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -6.060 4.107 -13.345 1.00 0.00 N ATOM 0 H ARG A 108 -7.966 10.230 -10.492 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.323 7.397 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.046 9.249 -9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.304 8.542 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.896 6.968 -9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.488 6.258 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.488 7.686 -11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.750 7.571 -11.485 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.485 4.958 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.391 7.317 -13.612 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.642 6.077 -14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.809 3.391 -12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.309 3.839 -14.297 1.00 0.00 H new TER 1746 ARG A 108