USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= 0 X(o=0,f=0.013) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 14 SER OG : rot 24:sc= 0.752! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.968 K(o=-0.97,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 85:sc= 0.204 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 58:sc= -3.61! USER MOD Single : A 50 THR OG1 : rot -91:sc= 1.11 USER MOD Single : A 57 THR OG1 : rot -58:sc= -2.79! USER MOD Single : A 62 ASN : amide:sc= -1.56 K(o=-1.6,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.46 USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -1.6! (180deg=-2.27!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.715 9.441 -6.524 1.00 0.00 N ATOM 57 CA VAL A 5 9.246 9.303 -6.734 1.00 0.00 C ATOM 58 C VAL A 5 8.984 8.220 -7.784 1.00 0.00 C ATOM 59 O VAL A 5 9.740 8.065 -8.722 1.00 0.00 O ATOM 60 CB VAL A 5 8.674 10.639 -7.206 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.205 10.730 -6.801 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.448 11.779 -6.542 1.00 0.00 C ATOM 0 HA VAL A 5 8.764 9.019 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 5 8.762 10.714 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.793 11.682 -7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.650 9.913 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.122 10.660 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.044 12.735 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.352 11.702 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.500 11.714 -6.818 1.00 0.00 H new ATOM 72 N SER A 6 7.928 7.462 -7.637 1.00 0.00 N ATOM 73 CA SER A 6 7.652 6.394 -8.641 1.00 0.00 C ATOM 74 C SER A 6 6.542 6.831 -9.594 1.00 0.00 C ATOM 75 O SER A 6 5.397 6.972 -9.208 1.00 0.00 O ATOM 76 CB SER A 6 7.214 5.105 -7.936 1.00 0.00 C ATOM 77 OG SER A 6 7.998 4.921 -6.764 1.00 0.00 O ATOM 0 H SER A 6 7.253 7.535 -6.875 1.00 0.00 H new ATOM 0 HA SER A 6 8.568 6.215 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.157 5.160 -7.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.333 4.253 -8.605 1.00 0.00 H new ATOM 0 HG SER A 6 7.719 4.099 -6.310 1.00 0.00 H new ATOM 83 N LYS A 7 6.864 6.997 -10.845 1.00 0.00 N ATOM 84 CA LYS A 7 5.822 7.364 -11.837 1.00 0.00 C ATOM 85 C LYS A 7 5.167 6.057 -12.267 1.00 0.00 C ATOM 86 O LYS A 7 5.713 5.311 -13.056 1.00 0.00 O ATOM 87 CB LYS A 7 6.469 8.049 -13.044 1.00 0.00 C ATOM 88 CG LYS A 7 5.397 8.780 -13.853 1.00 0.00 C ATOM 89 CD LYS A 7 4.929 10.018 -13.085 1.00 0.00 C ATOM 90 CE LYS A 7 3.475 10.324 -13.446 1.00 0.00 C ATOM 91 NZ LYS A 7 3.436 11.393 -14.486 1.00 0.00 N ATOM 0 H LYS A 7 7.806 6.894 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 7 5.092 8.055 -11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.231 8.753 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.970 7.310 -13.669 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.796 9.072 -14.824 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.553 8.116 -14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.020 9.849 -12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.562 10.871 -13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.984 9.424 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.928 10.644 -12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.447 11.602 -14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.890 12.253 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.943 11.070 -15.335 1.00 0.00 H new ATOM 105 N LEU A 8 4.036 5.738 -11.711 1.00 0.00 N ATOM 106 CA LEU A 8 3.405 4.437 -12.049 1.00 0.00 C ATOM 107 C LEU A 8 2.324 4.583 -13.112 1.00 0.00 C ATOM 108 O LEU A 8 1.431 5.403 -13.016 1.00 0.00 O ATOM 109 CB LEU A 8 2.765 3.843 -10.789 1.00 0.00 C ATOM 110 CG LEU A 8 3.738 2.886 -10.089 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.998 2.129 -8.982 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.285 1.871 -11.095 1.00 0.00 C ATOM 0 H LEU A 8 3.525 6.315 -11.043 1.00 0.00 H new ATOM 0 HA LEU A 8 4.187 3.786 -12.440 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.481 4.644 -10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.851 3.311 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 8 4.560 3.463 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.688 1.448 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.602 2.840 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.177 1.559 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.975 1.195 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.460 1.298 -11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.810 2.396 -11.893 1.00 0.00 H new ATOM 124 N ARG A 9 2.375 3.730 -14.093 1.00 0.00 N ATOM 125 CA ARG A 9 1.334 3.719 -15.147 1.00 0.00 C ATOM 126 C ARG A 9 0.573 2.421 -14.942 1.00 0.00 C ATOM 127 O ARG A 9 1.067 1.352 -15.234 1.00 0.00 O ATOM 128 CB ARG A 9 1.980 3.722 -16.535 1.00 0.00 C ATOM 129 CG ARG A 9 2.513 5.117 -16.849 1.00 0.00 C ATOM 130 CD ARG A 9 2.782 5.238 -18.350 1.00 0.00 C ATOM 131 NE ARG A 9 2.188 6.506 -18.861 1.00 0.00 N ATOM 132 CZ ARG A 9 2.948 7.394 -19.444 1.00 0.00 C ATOM 133 NH1 ARG A 9 3.689 7.052 -20.462 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.966 8.624 -19.008 1.00 0.00 N ATOM 0 H ARG A 9 3.107 3.029 -14.209 1.00 0.00 H new ATOM 0 HA ARG A 9 0.688 4.595 -15.085 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.791 2.995 -16.571 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.250 3.423 -17.287 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.791 5.872 -16.537 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.430 5.302 -16.289 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.855 5.224 -18.540 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.354 4.385 -18.877 1.00 0.00 H new ATOM 0 HE ARG A 9 1.189 6.680 -18.755 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.675 6.091 -20.803 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.282 7.746 -20.917 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.387 8.892 -18.212 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.559 9.318 -19.463 1.00 0.00 H new ATOM 148 N ILE A 10 -0.597 2.489 -14.390 1.00 0.00 N ATOM 149 CA ILE A 10 -1.336 1.234 -14.117 1.00 0.00 C ATOM 150 C ILE A 10 -2.477 1.072 -15.127 1.00 0.00 C ATOM 151 O ILE A 10 -3.367 1.880 -15.205 1.00 0.00 O ATOM 152 CB ILE A 10 -1.866 1.288 -12.680 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.824 1.968 -11.770 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.118 -0.133 -12.168 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.532 2.579 -10.567 1.00 0.00 C ATOM 0 H ILE A 10 -1.072 3.350 -14.118 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.678 0.371 -14.222 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.797 1.855 -12.666 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.082 1.241 -11.440 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.289 2.740 -12.323 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.495 -0.090 -11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.853 -0.624 -12.805 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.186 -0.697 -12.188 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.799 3.061 -9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.257 3.318 -10.908 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.047 1.795 -10.011 1.00 0.00 H new ATOM 167 N ARG A 11 -2.442 0.037 -15.916 1.00 0.00 N ATOM 168 CA ARG A 11 -3.512 -0.163 -16.933 1.00 0.00 C ATOM 169 C ARG A 11 -4.620 -1.056 -16.360 1.00 0.00 C ATOM 170 O ARG A 11 -4.391 -1.873 -15.492 1.00 0.00 O ATOM 171 CB ARG A 11 -2.876 -0.791 -18.192 1.00 0.00 C ATOM 172 CG ARG A 11 -3.705 -1.970 -18.718 1.00 0.00 C ATOM 173 CD ARG A 11 -3.326 -3.235 -17.949 1.00 0.00 C ATOM 174 NE ARG A 11 -4.310 -4.313 -18.247 1.00 0.00 N ATOM 175 CZ ARG A 11 -4.035 -5.554 -17.943 1.00 0.00 C ATOM 176 NH1 ARG A 11 -2.815 -6.001 -18.067 1.00 0.00 N ATOM 177 NH2 ARG A 11 -4.980 -6.346 -17.517 1.00 0.00 N ATOM 0 H ARG A 11 -1.718 -0.681 -15.901 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.967 0.790 -17.202 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.786 -0.034 -18.971 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.867 -1.131 -17.959 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.769 -1.763 -18.600 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.524 -2.110 -19.784 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.323 -3.556 -18.229 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.308 -3.031 -16.878 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.200 -4.082 -18.689 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.076 -5.382 -18.401 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.600 -6.969 -17.830 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.934 -5.997 -17.421 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.765 -7.315 -17.280 1.00 0.00 H new ATOM 191 N THR A 12 -5.819 -0.904 -16.857 1.00 0.00 N ATOM 192 CA THR A 12 -6.954 -1.737 -16.366 1.00 0.00 C ATOM 193 C THR A 12 -7.391 -2.683 -17.492 1.00 0.00 C ATOM 194 O THR A 12 -6.839 -2.646 -18.574 1.00 0.00 O ATOM 195 CB THR A 12 -8.133 -0.834 -15.968 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.102 -0.836 -17.008 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.646 0.600 -15.730 1.00 0.00 C ATOM 0 H THR A 12 -6.062 -0.234 -17.587 1.00 0.00 H new ATOM 0 HA THR A 12 -6.639 -2.311 -15.494 1.00 0.00 H new ATOM 0 HB THR A 12 -8.577 -1.216 -15.048 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.855 -0.262 -16.755 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.491 1.229 -15.449 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.907 0.605 -14.929 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.194 0.987 -16.643 1.00 0.00 H new ATOM 205 N PRO A 13 -8.370 -3.502 -17.207 1.00 0.00 N ATOM 206 CA PRO A 13 -8.903 -4.469 -18.182 1.00 0.00 C ATOM 207 C PRO A 13 -9.855 -3.771 -19.158 1.00 0.00 C ATOM 208 O PRO A 13 -10.059 -4.218 -20.269 1.00 0.00 O ATOM 209 CB PRO A 13 -9.658 -5.477 -17.311 1.00 0.00 C ATOM 210 CG PRO A 13 -9.997 -4.744 -15.991 1.00 0.00 C ATOM 211 CD PRO A 13 -9.036 -3.545 -15.890 1.00 0.00 C ATOM 0 HA PRO A 13 -8.129 -4.935 -18.792 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.565 -5.819 -17.810 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.047 -6.359 -17.120 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.034 -4.409 -15.990 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.876 -5.410 -15.137 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.574 -2.619 -15.686 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.315 -3.679 -15.083 1.00 0.00 H new ATOM 219 N SER A 14 -10.439 -2.677 -18.750 1.00 0.00 N ATOM 220 CA SER A 14 -11.378 -1.952 -19.653 1.00 0.00 C ATOM 221 C SER A 14 -10.584 -1.097 -20.644 1.00 0.00 C ATOM 222 O SER A 14 -11.145 -0.444 -21.502 1.00 0.00 O ATOM 223 CB SER A 14 -12.292 -1.051 -18.820 1.00 0.00 C ATOM 224 OG SER A 14 -12.662 0.084 -19.592 1.00 0.00 O ATOM 0 H SER A 14 -10.307 -2.254 -17.831 1.00 0.00 H new ATOM 0 HA SER A 14 -11.981 -2.675 -20.203 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.181 -1.601 -18.511 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.781 -0.736 -17.911 1.00 0.00 H new ATOM 0 HG SER A 14 -12.591 -0.132 -20.545 1.00 0.00 H new ATOM 230 N GLY A 15 -9.284 -1.095 -20.535 1.00 0.00 N ATOM 231 CA GLY A 15 -8.460 -0.282 -21.474 1.00 0.00 C ATOM 232 C GLY A 15 -8.201 1.098 -20.865 1.00 0.00 C ATOM 233 O GLY A 15 -7.877 2.041 -21.559 1.00 0.00 O ATOM 0 H GLY A 15 -8.757 -1.620 -19.837 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.514 -0.786 -21.674 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.974 -0.179 -22.429 1.00 0.00 H new ATOM 237 N GLU A 16 -8.340 1.222 -19.574 1.00 0.00 N ATOM 238 CA GLU A 16 -8.100 2.542 -18.923 1.00 0.00 C ATOM 239 C GLU A 16 -6.673 2.588 -18.375 1.00 0.00 C ATOM 240 O GLU A 16 -5.989 1.585 -18.314 1.00 0.00 O ATOM 241 CB GLU A 16 -9.096 2.731 -17.777 1.00 0.00 C ATOM 242 CG GLU A 16 -9.979 3.947 -18.062 1.00 0.00 C ATOM 243 CD GLU A 16 -10.558 4.478 -16.750 1.00 0.00 C ATOM 244 OE1 GLU A 16 -9.811 5.081 -15.997 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.738 4.270 -16.519 1.00 0.00 O ATOM 0 H GLU A 16 -8.609 0.468 -18.942 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.232 3.339 -19.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.712 1.839 -17.666 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.562 2.868 -16.837 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.396 4.725 -18.555 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.785 3.673 -18.742 1.00 0.00 H new ATOM 252 N PHE A 17 -6.214 3.744 -17.976 1.00 0.00 N ATOM 253 CA PHE A 17 -4.829 3.848 -17.437 1.00 0.00 C ATOM 254 C PHE A 17 -4.813 4.793 -16.232 1.00 0.00 C ATOM 255 O PHE A 17 -5.203 5.940 -16.327 1.00 0.00 O ATOM 256 CB PHE A 17 -3.903 4.414 -18.520 1.00 0.00 C ATOM 257 CG PHE A 17 -2.987 3.331 -19.043 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.789 3.035 -18.374 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.327 2.632 -20.206 1.00 0.00 C ATOM 260 CE1 PHE A 17 -0.938 2.041 -18.871 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.476 1.636 -20.701 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.282 1.341 -20.033 1.00 0.00 C ATOM 0 H PHE A 17 -6.738 4.619 -18.000 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.489 2.858 -17.133 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.496 4.825 -19.337 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.312 5.234 -18.111 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.524 3.574 -17.476 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.247 2.861 -20.723 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.015 1.814 -18.357 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.741 1.096 -21.598 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.626 0.573 -20.414 1.00 0.00 H new ATOM 272 N LEU A 18 -4.341 4.332 -15.107 1.00 0.00 N ATOM 273 CA LEU A 18 -4.274 5.211 -13.913 1.00 0.00 C ATOM 274 C LEU A 18 -2.866 5.774 -13.812 1.00 0.00 C ATOM 275 O LEU A 18 -1.923 5.070 -13.495 1.00 0.00 O ATOM 276 CB LEU A 18 -4.560 4.432 -12.627 1.00 0.00 C ATOM 277 CG LEU A 18 -5.874 3.668 -12.734 1.00 0.00 C ATOM 278 CD1 LEU A 18 -6.991 4.596 -13.223 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.700 2.517 -13.712 1.00 0.00 C ATOM 0 H LEU A 18 -3.999 3.382 -14.966 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.021 5.997 -14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.745 3.736 -12.430 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.602 5.120 -11.782 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.147 3.283 -11.752 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.924 4.036 -13.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.115 5.419 -12.519 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.730 4.994 -14.204 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.636 1.965 -13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.423 2.910 -14.690 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.916 1.850 -13.353 1.00 0.00 H new ATOM 291 N GLU A 19 -2.718 7.032 -14.063 1.00 0.00 N ATOM 292 CA GLU A 19 -1.369 7.646 -13.958 1.00 0.00 C ATOM 293 C GLU A 19 -1.168 8.059 -12.505 1.00 0.00 C ATOM 294 O GLU A 19 -1.950 8.808 -11.953 1.00 0.00 O ATOM 295 CB GLU A 19 -1.275 8.871 -14.871 1.00 0.00 C ATOM 296 CG GLU A 19 -1.722 8.491 -16.284 1.00 0.00 C ATOM 297 CD GLU A 19 -3.218 8.773 -16.442 1.00 0.00 C ATOM 298 OE1 GLU A 19 -3.703 9.673 -15.776 1.00 0.00 O ATOM 299 OE2 GLU A 19 -3.851 8.085 -17.226 1.00 0.00 O ATOM 0 H GLU A 19 -3.468 7.667 -14.337 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.600 6.938 -14.266 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.901 9.675 -14.484 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.252 9.245 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.155 9.059 -17.021 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.519 7.436 -16.469 1.00 0.00 H new ATOM 306 N ARG A 20 -0.158 7.551 -11.859 1.00 0.00 N ATOM 307 CA ARG A 20 0.031 7.897 -10.428 1.00 0.00 C ATOM 308 C ARG A 20 1.498 8.172 -10.107 1.00 0.00 C ATOM 309 O ARG A 20 2.364 7.358 -10.350 1.00 0.00 O ATOM 310 CB ARG A 20 -0.445 6.717 -9.583 1.00 0.00 C ATOM 311 CG ARG A 20 -0.899 7.206 -8.210 1.00 0.00 C ATOM 312 CD ARG A 20 -2.009 8.248 -8.372 1.00 0.00 C ATOM 313 NE ARG A 20 -2.683 8.465 -7.062 1.00 0.00 N ATOM 314 CZ ARG A 20 -3.400 9.538 -6.870 1.00 0.00 C ATOM 315 NH1 ARG A 20 -3.952 10.146 -7.884 1.00 0.00 N ATOM 316 NH2 ARG A 20 -3.565 10.006 -5.662 1.00 0.00 N ATOM 0 H ARG A 20 0.537 6.918 -12.256 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.540 8.799 -10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.266 6.207 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.360 5.991 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.260 6.366 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.056 7.639 -7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.591 9.186 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.733 7.911 -9.114 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.584 7.776 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.823 9.783 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.512 10.985 -7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.133 9.533 -4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.126 10.845 -5.512 1.00 0.00 H new ATOM 330 N ARG A 21 1.769 9.301 -9.516 1.00 0.00 N ATOM 331 CA ARG A 21 3.164 9.621 -9.120 1.00 0.00 C ATOM 332 C ARG A 21 3.241 9.477 -7.603 1.00 0.00 C ATOM 333 O ARG A 21 2.523 10.134 -6.876 1.00 0.00 O ATOM 334 CB ARG A 21 3.506 11.057 -9.524 1.00 0.00 C ATOM 335 CG ARG A 21 5.015 11.278 -9.402 1.00 0.00 C ATOM 336 CD ARG A 21 5.308 12.776 -9.289 1.00 0.00 C ATOM 337 NE ARG A 21 4.365 13.395 -8.315 1.00 0.00 N ATOM 338 CZ ARG A 21 3.610 14.394 -8.683 1.00 0.00 C ATOM 339 NH1 ARG A 21 4.125 15.392 -9.348 1.00 0.00 N ATOM 340 NH2 ARG A 21 2.340 14.395 -8.385 1.00 0.00 N ATOM 0 H ARG A 21 1.080 10.018 -9.290 1.00 0.00 H new ATOM 0 HA ARG A 21 3.871 8.953 -9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.182 11.245 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.972 11.762 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.400 10.755 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.525 10.862 -10.271 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.337 12.933 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.205 13.252 -10.264 1.00 0.00 H new ATOM 0 HE ARG A 21 4.310 13.038 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.118 15.392 -9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.534 16.172 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.938 13.615 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.749 15.175 -8.672 1.00 0.00 H new ATOM 354 N PHE A 22 4.075 8.606 -7.108 1.00 0.00 N ATOM 355 CA PHE A 22 4.137 8.424 -5.632 1.00 0.00 C ATOM 356 C PHE A 22 5.486 8.843 -5.073 1.00 0.00 C ATOM 357 O PHE A 22 6.521 8.556 -5.639 1.00 0.00 O ATOM 358 CB PHE A 22 3.983 6.954 -5.272 1.00 0.00 C ATOM 359 CG PHE A 22 2.803 6.324 -5.944 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.511 6.593 -5.491 1.00 0.00 C ATOM 361 CD2 PHE A 22 3.010 5.431 -6.999 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.422 5.976 -6.103 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.921 4.814 -7.610 1.00 0.00 C ATOM 364 CZ PHE A 22 0.627 5.087 -7.164 1.00 0.00 C ATOM 0 H PHE A 22 4.708 8.020 -7.653 1.00 0.00 H new ATOM 0 HA PHE A 22 3.336 9.035 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.888 6.417 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.878 6.856 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.356 7.277 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.013 5.220 -7.340 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.580 6.184 -5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.078 4.126 -8.427 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.218 4.611 -7.639 1.00 0.00 H new ATOM 374 N LEU A 23 5.483 9.437 -3.916 1.00 0.00 N ATOM 375 CA LEU A 23 6.769 9.781 -3.272 1.00 0.00 C ATOM 376 C LEU A 23 7.369 8.460 -2.806 1.00 0.00 C ATOM 377 O LEU A 23 6.694 7.658 -2.203 1.00 0.00 O ATOM 378 CB LEU A 23 6.521 10.691 -2.068 1.00 0.00 C ATOM 379 CG LEU A 23 7.635 11.733 -1.975 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.996 11.034 -2.012 1.00 0.00 C ATOM 381 CD2 LEU A 23 7.529 12.699 -3.158 1.00 0.00 C ATOM 0 H LEU A 23 4.647 9.697 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 23 7.434 10.307 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.554 11.185 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.485 10.099 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 23 7.536 12.286 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.789 11.779 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.074 10.345 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.095 10.480 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.323 13.443 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.627 12.144 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.561 13.199 -3.134 1.00 0.00 H new ATOM 393 N ALA A 24 8.603 8.199 -3.105 1.00 0.00 N ATOM 394 CA ALA A 24 9.206 6.891 -2.685 1.00 0.00 C ATOM 395 C ALA A 24 8.754 6.506 -1.262 1.00 0.00 C ATOM 396 O ALA A 24 8.737 5.339 -0.903 1.00 0.00 O ATOM 397 CB ALA A 24 10.731 6.996 -2.734 1.00 0.00 C ATOM 0 H ALA A 24 9.226 8.823 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 24 8.867 6.115 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.171 6.047 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.047 7.233 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.063 7.784 -2.058 1.00 0.00 H new ATOM 403 N SER A 25 8.388 7.462 -0.447 1.00 0.00 N ATOM 404 CA SER A 25 7.944 7.129 0.941 1.00 0.00 C ATOM 405 C SER A 25 6.417 6.963 0.984 1.00 0.00 C ATOM 406 O SER A 25 5.830 6.824 2.039 1.00 0.00 O ATOM 407 CB SER A 25 8.357 8.257 1.889 1.00 0.00 C ATOM 408 OG SER A 25 7.441 9.337 1.762 1.00 0.00 O ATOM 0 H SER A 25 8.377 8.455 -0.681 1.00 0.00 H new ATOM 0 HA SER A 25 8.412 6.194 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.371 7.896 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.367 8.593 1.655 1.00 0.00 H new ATOM 0 HG SER A 25 7.702 10.060 2.369 1.00 0.00 H new ATOM 414 N ASN A 26 5.773 6.978 -0.150 1.00 0.00 N ATOM 415 CA ASN A 26 4.288 6.823 -0.180 1.00 0.00 C ATOM 416 C ASN A 26 3.899 5.444 0.359 1.00 0.00 C ATOM 417 O ASN A 26 4.710 4.738 0.926 1.00 0.00 O ATOM 418 CB ASN A 26 3.789 6.968 -1.618 1.00 0.00 C ATOM 419 CG ASN A 26 2.815 8.145 -1.706 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.974 9.019 -2.533 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.808 8.205 -0.880 1.00 0.00 N ATOM 0 H ASN A 26 6.213 7.092 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 26 3.834 7.593 0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.631 7.128 -2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.296 6.050 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.154 8.986 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.674 7.471 -0.185 1.00 0.00 H new ATOM 428 N LYS A 27 2.660 5.056 0.195 1.00 0.00 N ATOM 429 CA LYS A 27 2.227 3.725 0.711 1.00 0.00 C ATOM 430 C LYS A 27 1.428 2.967 -0.358 1.00 0.00 C ATOM 431 O LYS A 27 0.596 3.524 -1.060 1.00 0.00 O ATOM 432 CB LYS A 27 1.351 3.914 1.955 1.00 0.00 C ATOM 433 CG LYS A 27 1.749 5.203 2.680 1.00 0.00 C ATOM 434 CD LYS A 27 0.777 6.322 2.302 1.00 0.00 C ATOM 435 CE LYS A 27 0.149 6.902 3.570 1.00 0.00 C ATOM 436 NZ LYS A 27 1.091 7.873 4.192 1.00 0.00 N ATOM 0 H LYS A 27 1.934 5.600 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 27 3.115 3.147 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.300 3.957 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.464 3.060 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.737 5.045 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.767 5.485 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.302 7.104 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.000 5.936 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.792 7.396 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.082 6.102 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.664 8.267 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.978 7.388 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.290 8.642 3.521 1.00 0.00 H new ATOM 450 N LEU A 28 1.666 1.689 -0.473 1.00 0.00 N ATOM 451 CA LEU A 28 0.920 0.884 -1.477 1.00 0.00 C ATOM 452 C LEU A 28 -0.580 1.059 -1.232 1.00 0.00 C ATOM 453 O LEU A 28 -1.352 1.231 -2.154 1.00 0.00 O ATOM 454 CB LEU A 28 1.281 -0.590 -1.316 1.00 0.00 C ATOM 455 CG LEU A 28 1.609 -1.224 -2.669 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.650 -0.425 -3.438 1.00 0.00 C ATOM 457 CD2 LEU A 28 2.131 -2.634 -2.426 1.00 0.00 C ATOM 0 H LEU A 28 2.344 1.170 0.085 1.00 0.00 H new ATOM 0 HA LEU A 28 1.179 1.216 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.136 -0.688 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.451 -1.123 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 28 0.700 -1.240 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.851 -0.913 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.275 0.583 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.570 -0.372 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.371 -3.103 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.028 -2.588 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.368 -3.221 -1.915 1.00 0.00 H new ATOM 469 N GLN A 29 -1.001 1.019 0.009 1.00 0.00 N ATOM 470 CA GLN A 29 -2.451 1.186 0.299 1.00 0.00 C ATOM 471 C GLN A 29 -2.941 2.449 -0.405 1.00 0.00 C ATOM 472 O GLN A 29 -4.013 2.473 -0.977 1.00 0.00 O ATOM 473 CB GLN A 29 -2.671 1.307 1.818 1.00 0.00 C ATOM 474 CG GLN A 29 -3.972 2.063 2.111 1.00 0.00 C ATOM 475 CD GLN A 29 -4.141 2.224 3.623 1.00 0.00 C ATOM 476 OE1 GLN A 29 -3.814 3.255 4.177 1.00 0.00 O ATOM 477 NE2 GLN A 29 -4.641 1.240 4.320 1.00 0.00 N ATOM 0 H GLN A 29 -0.405 0.879 0.825 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.008 0.321 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.711 0.314 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.829 1.829 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.952 3.041 1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.821 1.521 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.916 0.374 3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.757 1.337 5.329 1.00 0.00 H new ATOM 486 N ILE A 30 -2.166 3.501 -0.382 1.00 0.00 N ATOM 487 CA ILE A 30 -2.616 4.734 -1.071 1.00 0.00 C ATOM 488 C ILE A 30 -2.695 4.442 -2.561 1.00 0.00 C ATOM 489 O ILE A 30 -3.643 4.798 -3.223 1.00 0.00 O ATOM 490 CB ILE A 30 -1.635 5.883 -0.801 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.457 7.161 -0.601 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.653 6.064 -1.975 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.589 8.399 -0.844 1.00 0.00 C ATOM 0 H ILE A 30 -1.257 3.556 0.077 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.595 5.036 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.043 5.660 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.306 7.165 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.862 7.186 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.030 6.885 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.083 5.146 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.210 6.289 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.188 9.298 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.754 8.401 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.206 8.380 -1.864 1.00 0.00 H new ATOM 505 N VAL A 31 -1.710 3.778 -3.089 1.00 0.00 N ATOM 506 CA VAL A 31 -1.765 3.454 -4.543 1.00 0.00 C ATOM 507 C VAL A 31 -3.081 2.743 -4.805 1.00 0.00 C ATOM 508 O VAL A 31 -3.865 3.118 -5.659 1.00 0.00 O ATOM 509 CB VAL A 31 -0.619 2.523 -4.935 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.430 2.585 -6.449 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.663 2.969 -4.237 1.00 0.00 C ATOM 0 H VAL A 31 -0.883 3.449 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.680 4.371 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.851 1.501 -4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.386 1.924 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.348 2.268 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.193 3.607 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.480 2.304 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.905 3.988 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.521 2.933 -3.157 1.00 0.00 H new ATOM 521 N PHE A 32 -3.317 1.711 -4.057 1.00 0.00 N ATOM 522 CA PHE A 32 -4.573 0.930 -4.217 1.00 0.00 C ATOM 523 C PHE A 32 -5.789 1.851 -4.074 1.00 0.00 C ATOM 524 O PHE A 32 -6.752 1.739 -4.809 1.00 0.00 O ATOM 525 CB PHE A 32 -4.630 -0.140 -3.127 1.00 0.00 C ATOM 526 CG PHE A 32 -3.367 -0.979 -3.148 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.426 -0.826 -4.178 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.140 -1.917 -2.130 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.268 -1.611 -4.185 1.00 0.00 C ATOM 530 CE2 PHE A 32 -1.980 -2.698 -2.142 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.050 -2.547 -3.166 1.00 0.00 C ATOM 0 H PHE A 32 -2.688 1.368 -3.331 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.587 0.470 -5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.746 0.331 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.501 -0.778 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.595 -0.104 -4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.862 -2.036 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.542 -1.495 -4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.806 -3.418 -1.356 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.157 -3.154 -3.175 1.00 0.00 H new ATOM 541 N ASP A 33 -5.763 2.749 -3.126 1.00 0.00 N ATOM 542 CA ASP A 33 -6.931 3.658 -2.936 1.00 0.00 C ATOM 543 C ASP A 33 -7.049 4.618 -4.121 1.00 0.00 C ATOM 544 O ASP A 33 -8.118 4.827 -4.663 1.00 0.00 O ATOM 545 CB ASP A 33 -6.743 4.463 -1.649 1.00 0.00 C ATOM 546 CG ASP A 33 -7.866 4.125 -0.666 1.00 0.00 C ATOM 547 OD1 ASP A 33 -7.707 3.175 0.080 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.865 4.826 -0.677 1.00 0.00 O ATOM 0 H ASP A 33 -4.988 2.892 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.840 3.060 -2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.775 4.235 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.749 5.530 -1.871 1.00 0.00 H new ATOM 553 N PHE A 34 -5.965 5.215 -4.522 1.00 0.00 N ATOM 554 CA PHE A 34 -6.017 6.171 -5.659 1.00 0.00 C ATOM 555 C PHE A 34 -6.636 5.485 -6.881 1.00 0.00 C ATOM 556 O PHE A 34 -7.544 6.003 -7.500 1.00 0.00 O ATOM 557 CB PHE A 34 -4.584 6.645 -5.972 1.00 0.00 C ATOM 558 CG PHE A 34 -4.140 6.163 -7.335 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.678 6.737 -8.493 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.206 5.131 -7.436 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.276 6.277 -9.752 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.800 4.673 -8.690 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.336 5.244 -9.851 1.00 0.00 C ATOM 0 H PHE A 34 -5.042 5.082 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.633 7.032 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.541 7.734 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.899 6.273 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.403 7.534 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.796 4.686 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.690 6.718 -10.646 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.073 3.878 -8.765 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.025 4.888 -10.822 1.00 0.00 H new ATOM 573 N VAL A 35 -6.144 4.331 -7.241 1.00 0.00 N ATOM 574 CA VAL A 35 -6.720 3.650 -8.440 1.00 0.00 C ATOM 575 C VAL A 35 -8.182 3.312 -8.166 1.00 0.00 C ATOM 576 O VAL A 35 -9.058 3.677 -8.924 1.00 0.00 O ATOM 577 CB VAL A 35 -5.950 2.362 -8.776 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.875 2.673 -9.817 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.282 1.792 -7.523 1.00 0.00 C ATOM 0 H VAL A 35 -5.385 3.837 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.639 4.324 -9.293 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.653 1.627 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.327 1.762 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.345 3.063 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.185 3.416 -9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.742 0.881 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.584 2.525 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.043 1.564 -6.777 1.00 0.00 H new ATOM 589 N ALA A 36 -8.467 2.649 -7.078 1.00 0.00 N ATOM 590 CA ALA A 36 -9.888 2.323 -6.780 1.00 0.00 C ATOM 591 C ALA A 36 -10.679 3.626 -6.673 1.00 0.00 C ATOM 592 O ALA A 36 -11.889 3.642 -6.726 1.00 0.00 O ATOM 593 CB ALA A 36 -9.979 1.526 -5.479 1.00 0.00 C ATOM 0 H ALA A 36 -7.786 2.323 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.307 1.712 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.022 1.292 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.412 0.600 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.567 2.117 -4.661 1.00 0.00 H new ATOM 599 N SER A 37 -10.000 4.731 -6.550 1.00 0.00 N ATOM 600 CA SER A 37 -10.712 6.033 -6.481 1.00 0.00 C ATOM 601 C SER A 37 -10.943 6.532 -7.913 1.00 0.00 C ATOM 602 O SER A 37 -11.691 7.460 -8.148 1.00 0.00 O ATOM 603 CB SER A 37 -9.860 7.047 -5.715 1.00 0.00 C ATOM 604 OG SER A 37 -10.135 6.938 -4.324 1.00 0.00 O ATOM 0 H SER A 37 -8.983 4.787 -6.494 1.00 0.00 H new ATOM 0 HA SER A 37 -11.665 5.913 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.802 6.866 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.077 8.057 -6.062 1.00 0.00 H new ATOM 0 HG SER A 37 -9.588 6.222 -3.938 1.00 0.00 H new ATOM 610 N LYS A 38 -10.286 5.922 -8.872 1.00 0.00 N ATOM 611 CA LYS A 38 -10.439 6.352 -10.293 1.00 0.00 C ATOM 612 C LYS A 38 -11.679 5.695 -10.921 1.00 0.00 C ATOM 613 O LYS A 38 -12.739 6.287 -10.983 1.00 0.00 O ATOM 614 CB LYS A 38 -9.188 5.937 -11.077 1.00 0.00 C ATOM 615 CG LYS A 38 -8.466 7.184 -11.594 1.00 0.00 C ATOM 616 CD LYS A 38 -8.223 8.152 -10.435 1.00 0.00 C ATOM 617 CE LYS A 38 -9.117 9.382 -10.598 1.00 0.00 C ATOM 618 NZ LYS A 38 -8.304 10.523 -11.106 1.00 0.00 N ATOM 0 H LYS A 38 -9.647 5.140 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.562 7.434 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.522 5.358 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.467 5.294 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.518 6.904 -12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.063 7.668 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.435 7.659 -9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.175 8.452 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.930 9.164 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.573 9.643 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.911 11.360 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.543 10.735 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.890 10.271 -12.026 1.00 0.00 H new ATOM 632 N GLY A 39 -11.550 4.487 -11.408 1.00 0.00 N ATOM 633 CA GLY A 39 -12.716 3.807 -12.053 1.00 0.00 C ATOM 634 C GLY A 39 -13.028 2.492 -11.330 1.00 0.00 C ATOM 635 O GLY A 39 -14.080 1.908 -11.497 1.00 0.00 O ATOM 0 H GLY A 39 -10.688 3.942 -11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.588 4.461 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.497 3.610 -13.102 1.00 0.00 H new ATOM 745 N LYS A 46 -6.614 -5.765 -6.938 1.00 0.00 N ATOM 746 CA LYS A 46 -5.154 -5.914 -6.694 1.00 0.00 C ATOM 747 C LYS A 46 -4.424 -5.533 -7.979 1.00 0.00 C ATOM 748 O LYS A 46 -4.831 -5.896 -9.066 1.00 0.00 O ATOM 749 CB LYS A 46 -4.828 -7.367 -6.332 1.00 0.00 C ATOM 750 CG LYS A 46 -5.901 -7.922 -5.390 1.00 0.00 C ATOM 751 CD LYS A 46 -5.941 -9.449 -5.505 1.00 0.00 C ATOM 752 CE LYS A 46 -6.306 -9.847 -6.937 1.00 0.00 C ATOM 753 NZ LYS A 46 -5.277 -10.785 -7.469 1.00 0.00 N ATOM 0 HA LYS A 46 -4.843 -5.273 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.776 -7.974 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.849 -7.422 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.685 -7.630 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.875 -7.502 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.972 -9.869 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.671 -9.857 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.288 -10.319 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.366 -8.960 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.524 -11.056 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.347 -10.319 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.240 -11.635 -6.872 1.00 0.00 H new ATOM 767 N LEU A 47 -3.359 -4.798 -7.871 1.00 0.00 N ATOM 768 CA LEU A 47 -2.615 -4.390 -9.089 1.00 0.00 C ATOM 769 C LEU A 47 -1.509 -5.407 -9.353 1.00 0.00 C ATOM 770 O LEU A 47 -1.020 -6.043 -8.451 1.00 0.00 O ATOM 771 CB LEU A 47 -2.017 -3.008 -8.862 1.00 0.00 C ATOM 772 CG LEU A 47 -3.153 -2.022 -8.590 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.704 -1.001 -7.548 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.524 -1.308 -9.888 1.00 0.00 C ATOM 0 H LEU A 47 -2.970 -4.461 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.282 -4.353 -9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.325 -3.029 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.446 -2.695 -9.736 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.022 -2.560 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.514 -0.298 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.442 -1.516 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.835 -0.459 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.334 -0.604 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.656 -0.769 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.847 -2.041 -10.627 1.00 0.00 H new ATOM 786 N LEU A 48 -1.136 -5.593 -10.585 1.00 0.00 N ATOM 787 CA LEU A 48 -0.081 -6.592 -10.897 1.00 0.00 C ATOM 788 C LEU A 48 1.198 -5.865 -11.315 1.00 0.00 C ATOM 789 O LEU A 48 1.191 -5.048 -12.217 1.00 0.00 O ATOM 790 CB LEU A 48 -0.583 -7.496 -12.034 1.00 0.00 C ATOM 791 CG LEU A 48 0.576 -8.268 -12.679 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.304 -7.367 -13.677 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.556 -8.735 -11.601 1.00 0.00 C ATOM 0 H LEU A 48 -1.516 -5.096 -11.390 1.00 0.00 H new ATOM 0 HA LEU A 48 0.138 -7.202 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.320 -8.199 -11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.086 -6.891 -12.789 1.00 0.00 H new ATOM 0 HG LEU A 48 0.177 -9.138 -13.201 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.126 -7.919 -14.133 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.608 -7.046 -14.452 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.697 -6.493 -13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.376 -9.282 -12.067 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.953 -7.869 -11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.039 -9.387 -10.897 1.00 0.00 H new ATOM 805 N SER A 49 2.296 -6.152 -10.663 1.00 0.00 N ATOM 806 CA SER A 49 3.574 -5.475 -11.024 1.00 0.00 C ATOM 807 C SER A 49 4.089 -6.085 -12.323 1.00 0.00 C ATOM 808 O SER A 49 4.311 -7.286 -12.413 1.00 0.00 O ATOM 809 CB SER A 49 4.601 -5.689 -9.911 1.00 0.00 C ATOM 810 OG SER A 49 4.020 -6.479 -8.885 1.00 0.00 O ATOM 0 H SER A 49 2.361 -6.824 -9.899 1.00 0.00 H new ATOM 0 HA SER A 49 3.411 -4.405 -11.151 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.488 -6.183 -10.308 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.924 -4.729 -9.508 1.00 0.00 H new ATOM 0 HG SER A 49 3.723 -7.335 -9.259 1.00 0.00 H new ATOM 816 N THR A 50 4.252 -5.264 -13.331 1.00 0.00 N ATOM 817 CA THR A 50 4.714 -5.760 -14.660 1.00 0.00 C ATOM 818 C THR A 50 6.241 -5.772 -14.746 1.00 0.00 C ATOM 819 O THR A 50 6.801 -6.134 -15.762 1.00 0.00 O ATOM 820 CB THR A 50 4.170 -4.841 -15.764 1.00 0.00 C ATOM 821 OG1 THR A 50 4.994 -3.687 -15.861 1.00 0.00 O ATOM 822 CG2 THR A 50 2.733 -4.411 -15.445 1.00 0.00 C ATOM 0 H THR A 50 4.082 -4.259 -13.287 1.00 0.00 H new ATOM 0 HA THR A 50 4.345 -6.778 -14.788 1.00 0.00 H new ATOM 0 HB THR A 50 4.173 -5.385 -16.709 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.642 -2.984 -15.276 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.363 -3.760 -16.238 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.097 -5.293 -15.373 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.716 -3.873 -14.497 1.00 0.00 H new ATOM 830 N PHE A 51 6.933 -5.393 -13.709 1.00 0.00 N ATOM 831 CA PHE A 51 8.419 -5.411 -13.798 1.00 0.00 C ATOM 832 C PHE A 51 8.900 -6.825 -13.440 1.00 0.00 C ATOM 833 O PHE A 51 9.453 -7.504 -14.282 1.00 0.00 O ATOM 834 CB PHE A 51 9.052 -4.338 -12.884 1.00 0.00 C ATOM 835 CG PHE A 51 7.974 -3.497 -12.222 1.00 0.00 C ATOM 836 CD1 PHE A 51 7.014 -2.848 -13.009 1.00 0.00 C ATOM 837 CD2 PHE A 51 7.928 -3.377 -10.827 1.00 0.00 C ATOM 838 CE1 PHE A 51 6.010 -2.085 -12.402 1.00 0.00 C ATOM 839 CE2 PHE A 51 6.925 -2.613 -10.222 1.00 0.00 C ATOM 840 CZ PHE A 51 5.966 -1.969 -11.009 1.00 0.00 C ATOM 0 H PHE A 51 6.544 -5.077 -12.820 1.00 0.00 H new ATOM 0 HA PHE A 51 8.735 -5.166 -14.812 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.666 -4.818 -12.122 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.712 -3.698 -13.469 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.049 -2.936 -14.085 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.668 -3.875 -10.218 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.269 -1.586 -13.009 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.891 -2.521 -9.146 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.190 -1.381 -10.541 1.00 0.00 H new ATOM 850 N PRO A 52 8.639 -7.258 -12.227 1.00 0.00 N ATOM 851 CA PRO A 52 8.999 -8.613 -11.790 1.00 0.00 C ATOM 852 C PRO A 52 7.881 -9.571 -12.205 1.00 0.00 C ATOM 853 O PRO A 52 8.034 -10.776 -12.182 1.00 0.00 O ATOM 854 CB PRO A 52 9.029 -8.506 -10.267 1.00 0.00 C ATOM 855 CG PRO A 52 8.119 -7.310 -9.905 1.00 0.00 C ATOM 856 CD PRO A 52 7.986 -6.453 -11.177 1.00 0.00 C ATOM 0 HA PRO A 52 9.938 -8.973 -12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.668 -9.425 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.045 -8.346 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.142 -7.656 -9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.550 -6.729 -9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.941 -6.257 -11.418 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.472 -5.485 -11.057 1.00 0.00 H new ATOM 864 N ARG A 53 6.736 -9.030 -12.544 1.00 0.00 N ATOM 865 CA ARG A 53 5.582 -9.891 -12.915 1.00 0.00 C ATOM 866 C ARG A 53 5.054 -10.518 -11.629 1.00 0.00 C ATOM 867 O ARG A 53 4.962 -11.723 -11.505 1.00 0.00 O ATOM 868 CB ARG A 53 6.041 -10.988 -13.878 1.00 0.00 C ATOM 869 CG ARG A 53 5.021 -11.135 -15.009 1.00 0.00 C ATOM 870 CD ARG A 53 5.374 -10.171 -16.144 1.00 0.00 C ATOM 871 NE ARG A 53 6.703 -10.536 -16.711 1.00 0.00 N ATOM 872 CZ ARG A 53 7.185 -9.872 -17.726 1.00 0.00 C ATOM 873 NH1 ARG A 53 6.979 -8.587 -17.823 1.00 0.00 N ATOM 874 NH2 ARG A 53 7.871 -10.494 -18.646 1.00 0.00 N ATOM 0 H ARG A 53 6.556 -8.027 -12.578 1.00 0.00 H new ATOM 0 HA ARG A 53 4.805 -9.307 -13.408 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.020 -10.741 -14.287 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.148 -11.933 -13.345 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.016 -12.161 -15.377 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.018 -10.925 -14.638 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.611 -10.213 -16.921 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.394 -9.147 -15.772 1.00 0.00 H new ATOM 0 HE ARG A 53 7.236 -11.305 -16.306 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.441 -8.101 -17.105 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.356 -8.069 -18.616 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.030 -11.499 -18.572 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.248 -9.975 -19.439 1.00 0.00 H new ATOM 888 N ARG A 54 4.736 -9.705 -10.653 1.00 0.00 N ATOM 889 CA ARG A 54 4.250 -10.272 -9.357 1.00 0.00 C ATOM 890 C ARG A 54 3.047 -9.483 -8.834 1.00 0.00 C ATOM 891 O ARG A 54 2.710 -8.435 -9.339 1.00 0.00 O ATOM 892 CB ARG A 54 5.384 -10.218 -8.331 1.00 0.00 C ATOM 893 CG ARG A 54 5.579 -8.778 -7.852 1.00 0.00 C ATOM 894 CD ARG A 54 6.936 -8.651 -7.155 1.00 0.00 C ATOM 895 NE ARG A 54 6.767 -8.864 -5.690 1.00 0.00 N ATOM 896 CZ ARG A 54 5.959 -9.791 -5.254 1.00 0.00 C ATOM 897 NH1 ARG A 54 4.813 -9.460 -4.723 1.00 0.00 N ATOM 898 NH2 ARG A 54 6.297 -11.047 -5.348 1.00 0.00 N ATOM 0 H ARG A 54 4.790 -8.687 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 54 3.939 -11.304 -9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.152 -10.865 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.307 -10.592 -8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.527 -8.092 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.779 -8.500 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.635 -9.383 -7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.362 -7.665 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 54 7.283 -8.285 -5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.550 -8.477 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.181 -10.184 -4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.193 -11.304 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.666 -11.772 -5.007 1.00 0.00 H new ATOM 912 N ASP A 55 2.405 -9.983 -7.813 1.00 0.00 N ATOM 913 CA ASP A 55 1.224 -9.271 -7.243 1.00 0.00 C ATOM 914 C ASP A 55 1.634 -7.876 -6.757 1.00 0.00 C ATOM 915 O ASP A 55 2.310 -7.728 -5.761 1.00 0.00 O ATOM 916 CB ASP A 55 0.664 -10.078 -6.070 1.00 0.00 C ATOM 917 CG ASP A 55 -0.839 -9.824 -5.946 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.345 -9.000 -6.690 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.459 -10.459 -5.108 1.00 0.00 O ATOM 0 H ASP A 55 2.648 -10.857 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 55 0.462 -9.167 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.852 -11.141 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.169 -9.795 -5.146 1.00 0.00 H new ATOM 924 N VAL A 56 1.209 -6.861 -7.467 1.00 0.00 N ATOM 925 CA VAL A 56 1.527 -5.442 -7.109 1.00 0.00 C ATOM 926 C VAL A 56 2.861 -5.322 -6.380 1.00 0.00 C ATOM 927 O VAL A 56 2.980 -5.613 -5.216 1.00 0.00 O ATOM 928 CB VAL A 56 0.399 -4.845 -6.256 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.503 -5.334 -4.817 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.498 -3.316 -6.288 1.00 0.00 C ATOM 0 H VAL A 56 0.637 -6.960 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 56 1.612 -4.880 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.561 -5.163 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.304 -4.901 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.426 -6.421 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.462 -5.030 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.301 -2.887 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.463 -3.005 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.403 -2.967 -7.316 1.00 0.00 H new ATOM 940 N THR A 57 3.850 -4.862 -7.094 1.00 0.00 N ATOM 941 CA THR A 57 5.227 -4.657 -6.540 1.00 0.00 C ATOM 942 C THR A 57 5.362 -5.085 -5.062 1.00 0.00 C ATOM 943 O THR A 57 5.304 -4.280 -4.154 1.00 0.00 O ATOM 944 CB THR A 57 5.620 -3.175 -6.702 1.00 0.00 C ATOM 945 OG1 THR A 57 6.153 -2.683 -5.492 1.00 0.00 O ATOM 946 CG2 THR A 57 4.398 -2.331 -7.094 1.00 0.00 C ATOM 0 H THR A 57 3.760 -4.609 -8.078 1.00 0.00 H new ATOM 0 HA THR A 57 5.903 -5.299 -7.105 1.00 0.00 H new ATOM 0 HB THR A 57 6.369 -3.105 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.492 -2.790 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.696 -1.288 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.993 -2.694 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.636 -2.411 -6.318 1.00 0.00 H new ATOM 954 N GLN A 58 5.589 -6.353 -4.832 1.00 0.00 N ATOM 955 CA GLN A 58 5.806 -6.865 -3.433 1.00 0.00 C ATOM 956 C GLN A 58 4.502 -7.037 -2.641 1.00 0.00 C ATOM 957 O GLN A 58 4.491 -7.685 -1.614 1.00 0.00 O ATOM 958 CB GLN A 58 6.724 -5.898 -2.679 1.00 0.00 C ATOM 959 CG GLN A 58 7.980 -6.640 -2.219 1.00 0.00 C ATOM 960 CD GLN A 58 8.031 -6.662 -0.691 1.00 0.00 C ATOM 961 OE1 GLN A 58 8.335 -5.663 -0.068 1.00 0.00 O ATOM 962 NE2 GLN A 58 7.746 -7.765 -0.056 1.00 0.00 N ATOM 0 H GLN A 58 5.635 -7.068 -5.558 1.00 0.00 H new ATOM 0 HA GLN A 58 6.259 -7.852 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.998 -5.063 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.201 -5.479 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.976 -7.658 -2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.870 -6.151 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.491 -8.603 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.778 -7.790 0.963 1.00 0.00 H new ATOM 971 N LEU A 59 3.416 -6.475 -3.079 1.00 0.00 N ATOM 972 CA LEU A 59 2.147 -6.635 -2.314 1.00 0.00 C ATOM 973 C LEU A 59 2.244 -5.898 -0.979 1.00 0.00 C ATOM 974 O LEU A 59 3.128 -5.092 -0.765 1.00 0.00 O ATOM 975 CB LEU A 59 1.881 -8.120 -2.057 1.00 0.00 C ATOM 976 CG LEU A 59 0.783 -8.601 -2.999 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.659 -10.123 -2.905 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.547 -7.956 -2.601 1.00 0.00 C ATOM 0 H LEU A 59 3.348 -5.914 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 59 1.328 -6.214 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.792 -8.698 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.581 -8.274 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 59 1.033 -8.320 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.126 -10.466 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.606 -10.583 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.409 -10.405 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.333 -8.299 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.796 -8.238 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.460 -6.872 -2.668 1.00 0.00 H new ATOM 990 N ASP A 60 1.334 -6.167 -0.083 1.00 0.00 N ATOM 991 CA ASP A 60 1.361 -5.481 1.238 1.00 0.00 C ATOM 992 C ASP A 60 0.890 -4.035 1.063 1.00 0.00 C ATOM 993 O ASP A 60 1.685 -3.148 0.816 1.00 0.00 O ATOM 994 CB ASP A 60 2.786 -5.493 1.797 1.00 0.00 C ATOM 995 CG ASP A 60 3.407 -6.873 1.574 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.660 -7.805 1.328 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.621 -6.974 1.653 1.00 0.00 O ATOM 0 H ASP A 60 0.572 -6.833 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 60 0.701 -6.000 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.387 -4.728 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.773 -5.255 2.861 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.397 -3.840 1.205 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.012 -2.509 1.068 1.00 0.00 C ATOM 1004 C PRO A 61 -0.625 -1.636 2.255 1.00 0.00 C ATOM 1005 O PRO A 61 -0.832 -0.439 2.262 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.516 -2.804 1.042 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.697 -4.190 1.700 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.348 -4.919 1.544 1.00 0.00 C ATOM 0 HA PRO A 61 -0.690 -1.965 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.072 -2.040 1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.894 -2.806 0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.966 -4.090 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.499 -4.748 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.061 -5.430 2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.391 -5.675 0.760 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.039 -2.233 3.248 1.00 0.00 N ATOM 1017 CA ASN A 62 0.388 -1.458 4.441 1.00 0.00 C ATOM 1018 C ASN A 62 1.876 -1.141 4.319 1.00 0.00 C ATOM 1019 O ASN A 62 2.452 -0.480 5.160 1.00 0.00 O ATOM 1020 CB ASN A 62 0.145 -2.286 5.706 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.304 -2.112 6.162 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -1.609 -2.269 7.328 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -2.217 -1.794 5.285 1.00 0.00 N ATOM 0 H ASN A 62 0.165 -3.232 3.286 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.184 -0.533 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.351 -3.338 5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.826 -1.970 6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.187 -1.677 5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.960 -1.662 4.307 1.00 0.00 H new ATOM 1030 N LYS A 63 2.508 -1.609 3.276 1.00 0.00 N ATOM 1031 CA LYS A 63 3.954 -1.331 3.105 1.00 0.00 C ATOM 1032 C LYS A 63 4.134 0.028 2.434 1.00 0.00 C ATOM 1033 O LYS A 63 3.246 0.531 1.771 1.00 0.00 O ATOM 1034 CB LYS A 63 4.585 -2.419 2.233 1.00 0.00 C ATOM 1035 CG LYS A 63 4.843 -3.668 3.078 1.00 0.00 C ATOM 1036 CD LYS A 63 6.201 -3.544 3.771 1.00 0.00 C ATOM 1037 CE LYS A 63 6.601 -4.899 4.356 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.457 -5.629 3.378 1.00 0.00 N ATOM 0 H LYS A 63 2.082 -2.170 2.539 1.00 0.00 H new ATOM 0 HA LYS A 63 4.440 -1.322 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.924 -2.661 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.520 -2.059 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.054 -3.787 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.824 -4.557 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.955 -3.206 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.151 -2.795 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.140 -4.758 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.711 -5.485 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.729 -6.551 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.928 -5.775 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.312 -5.071 3.181 1.00 0.00 H new ATOM 1052 N SER A 64 5.282 0.618 2.588 1.00 0.00 N ATOM 1053 CA SER A 64 5.538 1.935 1.953 1.00 0.00 C ATOM 1054 C SER A 64 6.123 1.659 0.575 1.00 0.00 C ATOM 1055 O SER A 64 6.374 0.522 0.230 1.00 0.00 O ATOM 1056 CB SER A 64 6.533 2.735 2.793 1.00 0.00 C ATOM 1057 OG SER A 64 7.854 2.299 2.498 1.00 0.00 O ATOM 0 H SER A 64 6.059 0.242 3.130 1.00 0.00 H new ATOM 0 HA SER A 64 4.619 2.516 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.433 3.799 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.322 2.601 3.854 1.00 0.00 H new ATOM 0 HG SER A 64 8.495 2.811 3.034 1.00 0.00 H new ATOM 1063 N LEU A 65 6.318 2.655 -0.235 1.00 0.00 N ATOM 1064 CA LEU A 65 6.852 2.365 -1.584 1.00 0.00 C ATOM 1065 C LEU A 65 8.316 1.970 -1.475 1.00 0.00 C ATOM 1066 O LEU A 65 8.753 1.060 -2.124 1.00 0.00 O ATOM 1067 CB LEU A 65 6.699 3.591 -2.473 1.00 0.00 C ATOM 1068 CG LEU A 65 5.232 3.719 -2.876 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.059 4.912 -3.794 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.783 2.464 -3.623 1.00 0.00 C ATOM 0 H LEU A 65 6.135 3.637 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 65 6.294 1.540 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.025 4.486 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.328 3.497 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 65 4.632 3.847 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.011 5.002 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.372 5.818 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.669 4.775 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.735 2.565 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.391 2.337 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.902 1.594 -2.977 1.00 0.00 H new ATOM 1082 N LEU A 66 9.075 2.624 -0.652 1.00 0.00 N ATOM 1083 CA LEU A 66 10.511 2.244 -0.522 1.00 0.00 C ATOM 1084 C LEU A 66 10.643 0.736 -0.303 1.00 0.00 C ATOM 1085 O LEU A 66 11.405 0.071 -0.978 1.00 0.00 O ATOM 1086 CB LEU A 66 11.116 2.986 0.667 1.00 0.00 C ATOM 1087 CG LEU A 66 11.987 4.142 0.168 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.299 4.867 -0.996 1.00 0.00 C ATOM 1089 CD2 LEU A 66 12.210 5.130 1.313 1.00 0.00 C ATOM 0 H LEU A 66 8.771 3.401 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 66 11.038 2.513 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.324 3.367 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.714 2.301 1.269 1.00 0.00 H new ATOM 0 HG LEU A 66 12.941 3.744 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.931 5.686 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.136 4.167 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.340 5.264 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.830 5.956 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.249 5.515 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.711 4.624 2.138 1.00 0.00 H new ATOM 1101 N GLU A 67 9.913 0.187 0.624 1.00 0.00 N ATOM 1102 CA GLU A 67 10.028 -1.283 0.865 1.00 0.00 C ATOM 1103 C GLU A 67 9.658 -2.025 -0.414 1.00 0.00 C ATOM 1104 O GLU A 67 10.158 -3.097 -0.688 1.00 0.00 O ATOM 1105 CB GLU A 67 9.093 -1.749 1.995 1.00 0.00 C ATOM 1106 CG GLU A 67 8.430 -0.560 2.689 1.00 0.00 C ATOM 1107 CD GLU A 67 7.761 -1.033 3.981 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.440 -1.647 4.787 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.580 -0.772 4.143 1.00 0.00 O ATOM 0 H GLU A 67 9.249 0.681 1.220 1.00 0.00 H new ATOM 0 HA GLU A 67 11.055 -1.498 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.327 -2.409 1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.660 -2.329 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.173 0.206 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.691 -0.106 2.029 1.00 0.00 H new ATOM 1116 N VAL A 68 8.790 -1.464 -1.208 1.00 0.00 N ATOM 1117 CA VAL A 68 8.407 -2.153 -2.471 1.00 0.00 C ATOM 1118 C VAL A 68 9.094 -1.470 -3.669 1.00 0.00 C ATOM 1119 O VAL A 68 8.955 -1.891 -4.800 1.00 0.00 O ATOM 1120 CB VAL A 68 6.885 -2.147 -2.627 1.00 0.00 C ATOM 1121 CG1 VAL A 68 6.255 -2.952 -1.487 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.348 -0.719 -2.582 1.00 0.00 C ATOM 0 H VAL A 68 8.333 -0.568 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 68 8.739 -3.190 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 68 6.631 -2.593 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.170 -2.949 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.621 -3.978 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.525 -2.502 -0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.264 -0.734 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.607 -0.263 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.789 -0.139 -3.393 1.00 0.00 H new ATOM 1132 N LYS A 69 9.859 -0.438 -3.412 1.00 0.00 N ATOM 1133 CA LYS A 69 10.605 0.277 -4.491 1.00 0.00 C ATOM 1134 C LYS A 69 9.882 0.240 -5.848 1.00 0.00 C ATOM 1135 O LYS A 69 10.244 -0.517 -6.725 1.00 0.00 O ATOM 1136 CB LYS A 69 11.980 -0.383 -4.641 1.00 0.00 C ATOM 1137 CG LYS A 69 11.813 -1.871 -4.986 1.00 0.00 C ATOM 1138 CD LYS A 69 11.693 -2.699 -3.704 1.00 0.00 C ATOM 1139 CE LYS A 69 10.859 -3.953 -3.991 1.00 0.00 C ATOM 1140 NZ LYS A 69 10.817 -4.812 -2.772 1.00 0.00 N ATOM 0 H LYS A 69 10.000 -0.054 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 69 10.686 1.325 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.550 0.118 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.546 -0.277 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.926 -2.012 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.666 -2.214 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.683 -2.980 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.224 -2.108 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.848 -3.671 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.291 -4.507 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.463 -5.757 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.774 -4.896 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.185 -4.383 -2.067 1.00 0.00 H new ATOM 1207 N GLN A 73 10.049 4.787 -12.759 1.00 0.00 N ATOM 1208 CA GLN A 73 9.072 4.587 -13.868 1.00 0.00 C ATOM 1209 C GLN A 73 8.610 3.131 -13.848 1.00 0.00 C ATOM 1210 O GLN A 73 9.365 2.227 -14.148 1.00 0.00 O ATOM 1211 CB GLN A 73 9.744 4.895 -15.209 1.00 0.00 C ATOM 1212 CG GLN A 73 10.579 6.171 -15.081 1.00 0.00 C ATOM 1213 CD GLN A 73 10.521 6.953 -16.395 1.00 0.00 C ATOM 1214 OE1 GLN A 73 9.970 8.036 -16.448 1.00 0.00 O ATOM 1215 NE2 GLN A 73 11.072 6.450 -17.465 1.00 0.00 N ATOM 0 HA GLN A 73 8.219 5.253 -13.740 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.378 4.061 -15.510 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.990 5.018 -15.986 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.201 6.785 -14.263 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.612 5.920 -14.840 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.534 5.542 -17.422 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.041 6.965 -18.345 1.00 0.00 H new ATOM 1224 N GLU A 74 7.383 2.892 -13.475 1.00 0.00 N ATOM 1225 CA GLU A 74 6.891 1.488 -13.413 1.00 0.00 C ATOM 1226 C GLU A 74 5.451 1.393 -13.930 1.00 0.00 C ATOM 1227 O GLU A 74 4.675 2.316 -13.806 1.00 0.00 O ATOM 1228 CB GLU A 74 6.960 1.015 -11.964 1.00 0.00 C ATOM 1229 CG GLU A 74 8.400 0.645 -11.624 1.00 0.00 C ATOM 1230 CD GLU A 74 8.412 -0.240 -10.381 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.445 -0.191 -9.641 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.385 -0.951 -10.190 1.00 0.00 O ATOM 0 H GLU A 74 6.703 3.605 -13.212 1.00 0.00 H new ATOM 0 HA GLU A 74 7.515 0.856 -14.045 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.606 1.800 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.307 0.154 -11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.861 0.122 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.988 1.546 -11.449 1.00 0.00 H new ATOM 1239 N THR A 75 5.089 0.278 -14.510 1.00 0.00 N ATOM 1240 CA THR A 75 3.699 0.120 -15.032 1.00 0.00 C ATOM 1241 C THR A 75 3.001 -1.034 -14.295 1.00 0.00 C ATOM 1242 O THR A 75 3.562 -2.098 -14.119 1.00 0.00 O ATOM 1243 CB THR A 75 3.751 -0.188 -16.531 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.532 0.800 -17.187 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.334 -0.187 -17.104 1.00 0.00 C ATOM 0 H THR A 75 5.696 -0.530 -14.645 1.00 0.00 H new ATOM 0 HA THR A 75 3.142 1.043 -14.869 1.00 0.00 H new ATOM 0 HB THR A 75 4.200 -1.169 -16.686 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.568 0.604 -18.147 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.373 -0.406 -18.171 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.737 -0.946 -16.599 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.880 0.792 -16.951 1.00 0.00 H new ATOM 1253 N LEU A 76 1.784 -0.830 -13.858 1.00 0.00 N ATOM 1254 CA LEU A 76 1.055 -1.909 -13.125 1.00 0.00 C ATOM 1255 C LEU A 76 -0.232 -2.281 -13.872 1.00 0.00 C ATOM 1256 O LEU A 76 -0.692 -1.562 -14.730 1.00 0.00 O ATOM 1257 CB LEU A 76 0.689 -1.414 -11.727 1.00 0.00 C ATOM 1258 CG LEU A 76 1.553 -2.127 -10.688 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.944 -1.138 -9.594 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.754 -3.270 -10.066 1.00 0.00 C ATOM 0 H LEU A 76 1.263 0.039 -13.978 1.00 0.00 H new ATOM 0 HA LEU A 76 1.699 -2.785 -13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.838 -0.336 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.366 -1.602 -11.528 1.00 0.00 H new ATOM 0 HG LEU A 76 2.449 -2.521 -11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.561 -1.643 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.506 -0.314 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.045 -0.750 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.367 -3.781 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.139 -2.870 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.462 -3.976 -10.844 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.819 -3.403 -13.549 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.084 -3.813 -14.235 1.00 0.00 C ATOM 1274 C PHE A 77 -3.198 -3.977 -13.191 1.00 0.00 C ATOM 1275 O PHE A 77 -2.953 -4.343 -12.063 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.876 -5.142 -14.967 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.861 -4.977 -16.077 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.634 -3.719 -16.651 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.148 -6.092 -16.536 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.305 -3.577 -17.680 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.789 -5.950 -17.566 1.00 0.00 C ATOM 1282 CZ PHE A 77 1.016 -4.693 -18.138 1.00 0.00 C ATOM 0 H PHE A 77 -0.479 -4.054 -12.841 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.364 -3.046 -14.958 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.536 -5.903 -14.264 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.823 -5.490 -15.380 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.184 -2.858 -16.300 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.321 -7.062 -16.095 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.481 -2.607 -18.120 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.337 -6.811 -17.920 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.739 -4.584 -18.932 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.426 -3.713 -13.554 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.536 -3.863 -12.568 1.00 0.00 C ATOM 1294 C LEU A 78 -5.973 -5.331 -12.544 1.00 0.00 C ATOM 1295 O LEU A 78 -6.090 -5.968 -13.573 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.720 -2.982 -12.982 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.341 -2.328 -11.740 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.334 -0.810 -11.897 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.789 -2.792 -11.579 1.00 0.00 C ATOM 0 H LEU A 78 -4.707 -3.402 -14.484 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.197 -3.557 -11.578 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.387 -2.214 -13.680 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.468 -3.582 -13.501 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.758 -2.616 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.776 -0.351 -11.013 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.308 -0.461 -12.013 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.913 -0.533 -12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.225 -2.325 -10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.363 -2.507 -12.461 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.813 -3.876 -11.465 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.200 -5.880 -11.381 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.612 -7.310 -11.302 1.00 0.00 C ATOM 1313 C GLU A 79 -7.713 -7.461 -10.256 1.00 0.00 C ATOM 1314 O GLU A 79 -7.744 -6.755 -9.269 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.407 -8.164 -10.902 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.528 -9.550 -11.538 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.438 -9.723 -12.596 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.835 -8.728 -12.965 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -4.222 -10.846 -13.019 1.00 0.00 O ATOM 0 H GLU A 79 -6.118 -5.401 -10.484 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.984 -7.638 -12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.484 -7.683 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.356 -8.254 -9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.434 -10.322 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.512 -9.669 -11.992 1.00 0.00 H new