USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 Single : A 15 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.6!) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.125 F(o=-1.3,f=-0.12) USER MOD Single : A 36 MET CE :methyl -165:sc= -3.57! (180deg=-3.77!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.01 F(o=-3!,f=-1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 128:sc= 1.26 (180deg=0.879) USER MOD Single : A 57 CYS SG : rot -22:sc= -2.05! USER MOD Single : A 59 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.013) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.789 F(o=-3.3,f=-0.79) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 55:sc= 1.21 USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= 0.339 (180deg=-0.578) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= -0.0213 (180deg=-0.167) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.86 F(o=-3.6!,f=-1.9) USER MOD Single : A 81 SER OG : rot 63:sc= 0.471 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 86 HIS : no HD1:sc= 0.815 K(o=0.81,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 0.968 -12.104 -7.892 1.00 0.00 N ATOM 115 CA VAL A 10 -0.129 -11.404 -7.252 1.00 0.00 C ATOM 116 C VAL A 10 0.260 -9.963 -6.972 1.00 0.00 C ATOM 117 O VAL A 10 1.210 -9.696 -6.236 1.00 0.00 O ATOM 118 CB VAL A 10 -0.543 -12.090 -5.931 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.716 -11.364 -5.289 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.886 -13.553 -6.170 1.00 0.00 C ATOM 0 HA VAL A 10 -0.979 -11.429 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 10 0.303 -12.043 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.990 -11.865 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.433 -10.333 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.567 -11.373 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.175 -14.018 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.713 -13.622 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.016 -14.069 -6.577 1.00 0.00 H new ATOM 130 N ASP A 11 -0.470 -9.039 -7.568 1.00 0.00 N ATOM 131 CA ASP A 11 -0.211 -7.624 -7.375 1.00 0.00 C ATOM 132 C ASP A 11 -1.487 -6.916 -6.951 1.00 0.00 C ATOM 133 O ASP A 11 -2.557 -7.145 -7.520 1.00 0.00 O ATOM 134 CB ASP A 11 0.354 -6.987 -8.652 1.00 0.00 C ATOM 135 CG ASP A 11 -0.648 -6.943 -9.793 1.00 0.00 C ATOM 136 OD1 ASP A 11 -0.895 -7.996 -10.419 1.00 0.00 O ATOM 137 OD2 ASP A 11 -1.192 -5.853 -10.075 1.00 0.00 O ATOM 0 H ASP A 11 -1.250 -9.244 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 11 0.535 -7.516 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.685 -5.973 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.234 -7.546 -8.971 1.00 0.00 H new ATOM 142 N VAL A 12 -1.375 -6.085 -5.933 1.00 0.00 N ATOM 143 CA VAL A 12 -2.507 -5.309 -5.459 1.00 0.00 C ATOM 144 C VAL A 12 -2.205 -3.831 -5.635 1.00 0.00 C ATOM 145 O VAL A 12 -1.079 -3.396 -5.404 1.00 0.00 O ATOM 146 CB VAL A 12 -2.831 -5.620 -3.973 1.00 0.00 C ATOM 147 CG1 VAL A 12 -1.982 -4.801 -3.020 1.00 0.00 C ATOM 148 CG2 VAL A 12 -4.312 -5.423 -3.683 1.00 0.00 C ATOM 0 H VAL A 12 -0.510 -5.929 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.384 -5.581 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.584 -6.669 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.244 -5.052 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.928 -5.021 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.163 -3.740 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.511 -5.648 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.589 -4.390 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.898 -6.090 -4.315 1.00 0.00 H new ATOM 158 N GLU A 13 -3.179 -3.060 -6.076 1.00 0.00 N ATOM 159 CA GLU A 13 -2.970 -1.635 -6.216 1.00 0.00 C ATOM 160 C GLU A 13 -3.724 -0.886 -5.141 1.00 0.00 C ATOM 161 O GLU A 13 -4.954 -0.849 -5.136 1.00 0.00 O ATOM 162 CB GLU A 13 -3.393 -1.148 -7.600 1.00 0.00 C ATOM 163 CG GLU A 13 -2.584 -1.762 -8.726 1.00 0.00 C ATOM 164 CD GLU A 13 -2.834 -1.088 -10.054 1.00 0.00 C ATOM 165 OE1 GLU A 13 -3.920 -1.296 -10.635 1.00 0.00 O ATOM 166 OE2 GLU A 13 -1.951 -0.343 -10.519 1.00 0.00 O ATOM 0 H GLU A 13 -4.108 -3.390 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.904 -1.438 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.447 -1.379 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.295 -0.063 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.523 -1.697 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.828 -2.821 -8.808 1.00 0.00 H new ATOM 173 N ILE A 14 -2.980 -0.290 -4.231 1.00 0.00 N ATOM 174 CA ILE A 14 -3.569 0.499 -3.175 1.00 0.00 C ATOM 175 C ILE A 14 -3.407 1.971 -3.503 1.00 0.00 C ATOM 176 O ILE A 14 -2.296 2.440 -3.744 1.00 0.00 O ATOM 177 CB ILE A 14 -2.927 0.214 -1.800 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.785 -1.295 -1.559 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.775 0.838 -0.707 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.154 -1.652 -0.223 1.00 0.00 C ATOM 0 H ILE A 14 -1.962 -0.339 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.623 0.228 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.929 0.652 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.771 -1.756 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.183 -1.725 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.322 0.637 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.835 1.915 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.777 0.411 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.089 -2.736 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.154 -1.222 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.766 -1.254 0.586 1.00 0.00 H new ATOM 192 N HIS A 15 -4.512 2.692 -3.547 1.00 0.00 N ATOM 193 CA HIS A 15 -4.471 4.112 -3.848 1.00 0.00 C ATOM 194 C HIS A 15 -4.567 4.923 -2.569 1.00 0.00 C ATOM 195 O HIS A 15 -5.461 4.706 -1.756 1.00 0.00 O ATOM 196 CB HIS A 15 -5.602 4.500 -4.806 1.00 0.00 C ATOM 197 CG HIS A 15 -5.470 3.896 -6.170 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.221 2.821 -6.589 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.671 4.222 -7.213 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.889 2.509 -7.825 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.951 3.344 -8.230 1.00 0.00 N ATOM 0 H HIS A 15 -5.447 2.320 -3.379 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.520 4.330 -4.335 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.554 4.193 -4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.630 5.586 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.948 5.024 -7.240 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.313 1.705 -8.409 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.507 3.338 -9.148 1.00 0.00 H new ATOM 210 N PHE A 16 -3.625 5.826 -2.382 1.00 0.00 N ATOM 211 CA PHE A 16 -3.646 6.725 -1.241 1.00 0.00 C ATOM 212 C PHE A 16 -3.681 8.168 -1.712 1.00 0.00 C ATOM 213 O PHE A 16 -2.856 8.571 -2.531 1.00 0.00 O ATOM 214 CB PHE A 16 -2.409 6.536 -0.363 1.00 0.00 C ATOM 215 CG PHE A 16 -2.292 5.192 0.301 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.412 4.527 0.765 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.051 4.605 0.478 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.298 3.304 1.392 1.00 0.00 C ATOM 219 CE2 PHE A 16 -0.932 3.382 1.107 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.056 2.732 1.565 1.00 0.00 C ATOM 0 H PHE A 16 -2.831 5.958 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.539 6.493 -0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.521 6.699 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.411 7.305 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.388 4.971 0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.166 5.110 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.182 2.795 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.042 2.935 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.965 1.776 2.059 1.00 0.00 H new ATOM 230 N PRO A 17 -4.647 8.963 -1.229 1.00 0.00 N ATOM 231 CA PRO A 17 -4.658 10.408 -1.466 1.00 0.00 C ATOM 232 C PRO A 17 -3.401 11.063 -0.901 1.00 0.00 C ATOM 233 O PRO A 17 -3.166 11.036 0.309 1.00 0.00 O ATOM 234 CB PRO A 17 -5.898 10.889 -0.711 1.00 0.00 C ATOM 235 CG PRO A 17 -6.755 9.682 -0.568 1.00 0.00 C ATOM 236 CD PRO A 17 -5.812 8.522 -0.442 1.00 0.00 C ATOM 0 HA PRO A 17 -4.679 10.659 -2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.632 11.301 0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.414 11.676 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.397 9.761 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.409 9.562 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.548 8.326 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.245 7.604 -0.839 1.00 0.00 H new ATOM 244 N LEU A 18 -2.608 11.646 -1.795 1.00 0.00 N ATOM 245 CA LEU A 18 -1.298 12.202 -1.460 1.00 0.00 C ATOM 246 C LEU A 18 -1.384 13.221 -0.326 1.00 0.00 C ATOM 247 O LEU A 18 -0.501 13.284 0.529 1.00 0.00 O ATOM 248 CB LEU A 18 -0.675 12.833 -2.716 1.00 0.00 C ATOM 249 CG LEU A 18 0.766 13.343 -2.574 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.499 13.214 -3.900 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.788 14.796 -2.112 1.00 0.00 C ATOM 0 H LEU A 18 -2.857 11.747 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.661 11.391 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.700 12.096 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.304 13.666 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 18 1.268 12.734 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.520 13.579 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.519 12.168 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.984 13.803 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.821 15.133 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.268 15.417 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.292 14.878 -1.145 1.00 0.00 H new ATOM 263 N LYS A 19 -2.451 14.002 -0.310 1.00 0.00 N ATOM 264 CA LYS A 19 -2.606 15.054 0.690 1.00 0.00 C ATOM 265 C LYS A 19 -3.013 14.486 2.046 1.00 0.00 C ATOM 266 O LYS A 19 -2.686 15.056 3.087 1.00 0.00 O ATOM 267 CB LYS A 19 -3.637 16.085 0.234 1.00 0.00 C ATOM 268 CG LYS A 19 -3.181 16.925 -0.946 1.00 0.00 C ATOM 269 CD LYS A 19 -4.289 17.845 -1.431 1.00 0.00 C ATOM 270 CE LYS A 19 -3.838 18.694 -2.594 1.00 0.00 C ATOM 271 NZ LYS A 19 -4.920 19.587 -3.083 1.00 0.00 N ATOM 0 H LYS A 19 -3.222 13.931 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.636 15.539 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.559 15.569 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.871 16.745 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.313 17.518 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.866 16.272 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.153 17.250 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.612 18.489 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.980 19.295 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.505 18.048 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.569 20.153 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.729 19.013 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.220 20.221 -2.315 1.00 0.00 H new ATOM 285 N ARG A 20 -3.719 13.365 2.037 1.00 0.00 N ATOM 286 CA ARG A 20 -4.206 12.779 3.279 1.00 0.00 C ATOM 287 C ARG A 20 -3.223 11.766 3.852 1.00 0.00 C ATOM 288 O ARG A 20 -3.125 11.618 5.068 1.00 0.00 O ATOM 289 CB ARG A 20 -5.580 12.136 3.098 1.00 0.00 C ATOM 290 CG ARG A 20 -6.708 13.148 2.962 1.00 0.00 C ATOM 291 CD ARG A 20 -7.104 13.381 1.510 1.00 0.00 C ATOM 292 NE ARG A 20 -8.446 12.875 1.235 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.158 13.171 0.150 1.00 0.00 C ATOM 294 NH1 ARG A 20 -8.640 13.922 -0.814 1.00 0.00 N ATOM 295 NH2 ARG A 20 -10.388 12.694 0.026 1.00 0.00 N ATOM 0 H ARG A 20 -3.966 12.847 1.194 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.302 13.598 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.562 11.502 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.784 11.488 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.576 12.799 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.401 14.094 3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.063 14.447 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.387 12.890 0.853 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.867 12.251 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.688 14.278 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.194 14.143 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.783 12.105 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.940 12.916 -0.802 1.00 0.00 H new ATOM 309 N ILE A 21 -2.481 11.081 2.990 1.00 0.00 N ATOM 310 CA ILE A 21 -1.486 10.120 3.457 1.00 0.00 C ATOM 311 C ILE A 21 -0.325 10.855 4.131 1.00 0.00 C ATOM 312 O ILE A 21 0.431 10.276 4.909 1.00 0.00 O ATOM 313 CB ILE A 21 -0.965 9.224 2.306 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.077 8.091 2.842 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.199 10.050 1.282 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.728 7.260 3.929 1.00 0.00 C ATOM 0 H ILE A 21 -2.547 11.170 1.976 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.969 9.466 4.184 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.832 8.778 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.199 7.437 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.847 8.520 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.157 9.400 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.857 10.812 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.652 10.531 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.038 6.482 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.979 7.900 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.637 6.800 3.540 1.00 0.00 H new ATOM 328 N ALA A 22 -0.207 12.148 3.839 1.00 0.00 N ATOM 329 CA ALA A 22 0.806 12.991 4.459 1.00 0.00 C ATOM 330 C ALA A 22 0.278 13.606 5.751 1.00 0.00 C ATOM 331 O ALA A 22 1.018 14.241 6.505 1.00 0.00 O ATOM 332 CB ALA A 22 1.240 14.086 3.496 1.00 0.00 C ATOM 0 H ALA A 22 -0.806 12.635 3.172 1.00 0.00 H new ATOM 0 HA ALA A 22 1.669 12.370 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.997 14.709 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.655 13.635 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.379 14.700 3.231 1.00 0.00 H new ATOM 338 N ALA A 23 -1.006 13.408 6.008 1.00 0.00 N ATOM 339 CA ALA A 23 -1.651 13.986 7.175 1.00 0.00 C ATOM 340 C ALA A 23 -1.583 13.031 8.358 1.00 0.00 C ATOM 341 O ALA A 23 -1.567 11.813 8.189 1.00 0.00 O ATOM 342 CB ALA A 23 -3.095 14.330 6.856 1.00 0.00 C ATOM 0 H ALA A 23 -1.624 12.848 5.420 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.122 14.900 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.569 14.762 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.125 15.049 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.629 13.425 6.564 1.00 0.00 H new ATOM 348 N GLU A 24 -1.539 13.597 9.556 1.00 0.00 N ATOM 349 CA GLU A 24 -1.492 12.807 10.778 1.00 0.00 C ATOM 350 C GLU A 24 -2.889 12.327 11.146 1.00 0.00 C ATOM 351 O GLU A 24 -3.052 11.357 11.884 1.00 0.00 O ATOM 352 CB GLU A 24 -0.895 13.630 11.915 1.00 0.00 C ATOM 353 CG GLU A 24 0.510 14.117 11.620 1.00 0.00 C ATOM 354 CD GLU A 24 1.081 14.955 12.738 1.00 0.00 C ATOM 355 OE1 GLU A 24 1.638 14.377 13.694 1.00 0.00 O ATOM 356 OE2 GLU A 24 0.970 16.197 12.669 1.00 0.00 O ATOM 0 H GLU A 24 -1.535 14.606 9.708 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.858 11.936 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.537 14.488 12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.882 13.028 12.824 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.159 13.259 11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.502 14.702 10.700 1.00 0.00 H new ATOM 363 N GLY A 25 -3.893 13.014 10.621 1.00 0.00 N ATOM 364 CA GLY A 25 -5.266 12.599 10.809 1.00 0.00 C ATOM 365 C GLY A 25 -5.749 11.771 9.638 1.00 0.00 C ATOM 366 O GLY A 25 -6.913 11.840 9.247 1.00 0.00 O ATOM 0 H GLY A 25 -3.778 13.860 10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.352 12.020 11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.902 13.477 10.925 1.00 0.00 H new ATOM 370 N TYR A 26 -4.837 10.984 9.082 1.00 0.00 N ATOM 371 CA TYR A 26 -5.118 10.170 7.908 1.00 0.00 C ATOM 372 C TYR A 26 -6.208 9.138 8.193 1.00 0.00 C ATOM 373 O TYR A 26 -6.959 8.754 7.300 1.00 0.00 O ATOM 374 CB TYR A 26 -3.837 9.478 7.431 1.00 0.00 C ATOM 375 CG TYR A 26 -3.205 8.556 8.456 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.300 9.040 9.391 1.00 0.00 C ATOM 377 CD2 TYR A 26 -3.514 7.203 8.485 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.722 8.203 10.324 1.00 0.00 C ATOM 379 CE2 TYR A 26 -2.943 6.360 9.416 1.00 0.00 C ATOM 380 CZ TYR A 26 -2.047 6.864 10.332 1.00 0.00 C ATOM 381 OH TYR A 26 -1.473 6.023 11.260 1.00 0.00 O ATOM 0 H TYR A 26 -3.883 10.892 9.432 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.483 10.827 7.119 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.062 8.903 6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.110 10.240 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.044 10.089 9.388 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.214 6.803 7.766 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.019 8.595 11.044 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.197 5.310 9.426 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.810 5.112 11.129 1.00 0.00 H new ATOM 391 N ALA A 27 -6.309 8.715 9.448 1.00 0.00 N ATOM 392 CA ALA A 27 -7.300 7.722 9.840 1.00 0.00 C ATOM 393 C ALA A 27 -8.706 8.319 9.848 1.00 0.00 C ATOM 394 O ALA A 27 -9.693 7.610 10.047 1.00 0.00 O ATOM 395 CB ALA A 27 -6.955 7.146 11.203 1.00 0.00 C ATOM 0 H ALA A 27 -5.717 9.044 10.210 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.285 6.917 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.703 6.405 11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.974 6.673 11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.940 7.946 11.943 1.00 0.00 H new ATOM 401 N GLU A 28 -8.785 9.624 9.625 1.00 0.00 N ATOM 402 CA GLU A 28 -10.061 10.317 9.553 1.00 0.00 C ATOM 403 C GLU A 28 -10.480 10.533 8.104 1.00 0.00 C ATOM 404 O GLU A 28 -11.563 11.055 7.832 1.00 0.00 O ATOM 405 CB GLU A 28 -9.974 11.662 10.276 1.00 0.00 C ATOM 406 CG GLU A 28 -9.867 11.532 11.786 1.00 0.00 C ATOM 407 CD GLU A 28 -11.132 10.975 12.404 1.00 0.00 C ATOM 408 OE1 GLU A 28 -11.321 9.742 12.380 1.00 0.00 O ATOM 409 OE2 GLU A 28 -11.951 11.771 12.903 1.00 0.00 O ATOM 0 H GLU A 28 -7.973 10.226 9.490 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.812 9.697 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.108 12.210 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.856 12.255 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.027 10.883 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.653 12.509 12.219 1.00 0.00 H new ATOM 416 N ASP A 29 -9.625 10.130 7.171 1.00 0.00 N ATOM 417 CA ASP A 29 -9.920 10.295 5.754 1.00 0.00 C ATOM 418 C ASP A 29 -10.642 9.073 5.207 1.00 0.00 C ATOM 419 O ASP A 29 -10.087 7.971 5.168 1.00 0.00 O ATOM 420 CB ASP A 29 -8.649 10.547 4.948 1.00 0.00 C ATOM 421 CG ASP A 29 -8.931 10.582 3.461 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.758 11.416 3.027 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.335 9.781 2.722 1.00 0.00 O ATOM 0 H ASP A 29 -8.727 9.689 7.369 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.569 11.165 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.203 11.492 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.920 9.765 5.163 1.00 0.00 H new ATOM 428 N GLU A 30 -11.872 9.289 4.753 1.00 0.00 N ATOM 429 CA GLU A 30 -12.739 8.207 4.324 1.00 0.00 C ATOM 430 C GLU A 30 -12.143 7.510 3.117 1.00 0.00 C ATOM 431 O GLU A 30 -12.316 6.309 2.938 1.00 0.00 O ATOM 432 CB GLU A 30 -14.126 8.742 3.977 1.00 0.00 C ATOM 433 CG GLU A 30 -15.192 7.665 3.896 1.00 0.00 C ATOM 434 CD GLU A 30 -15.597 7.155 5.261 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.521 7.743 5.866 1.00 0.00 O ATOM 436 OE2 GLU A 30 -15.001 6.169 5.737 1.00 0.00 O ATOM 0 H GLU A 30 -12.291 10.216 4.674 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.831 7.492 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.420 9.477 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.076 9.264 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.069 8.062 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.821 6.834 3.295 1.00 0.00 H new ATOM 443 N LEU A 31 -11.427 8.275 2.302 1.00 0.00 N ATOM 444 CA LEU A 31 -10.785 7.740 1.121 1.00 0.00 C ATOM 445 C LEU A 31 -9.769 6.688 1.506 1.00 0.00 C ATOM 446 O LEU A 31 -9.707 5.621 0.908 1.00 0.00 O ATOM 447 CB LEU A 31 -10.089 8.862 0.349 1.00 0.00 C ATOM 448 CG LEU A 31 -10.776 9.303 -0.938 1.00 0.00 C ATOM 449 CD1 LEU A 31 -10.813 8.156 -1.928 1.00 0.00 C ATOM 450 CD2 LEU A 31 -12.179 9.809 -0.650 1.00 0.00 C ATOM 0 H LEU A 31 -11.279 9.274 2.444 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.548 7.285 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.998 9.727 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.077 8.538 0.106 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.205 10.122 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.306 8.482 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.795 7.840 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.365 7.321 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.652 10.119 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.766 9.013 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.127 10.659 0.031 1.00 0.00 H new ATOM 462 N LEU A 32 -9.003 6.978 2.537 1.00 0.00 N ATOM 463 CA LEU A 32 -7.964 6.096 2.976 1.00 0.00 C ATOM 464 C LEU A 32 -8.578 4.878 3.640 1.00 0.00 C ATOM 465 O LEU A 32 -8.113 3.749 3.474 1.00 0.00 O ATOM 466 CB LEU A 32 -7.064 6.854 3.942 1.00 0.00 C ATOM 467 CG LEU A 32 -5.816 6.111 4.360 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.901 5.923 3.171 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.099 6.847 5.470 1.00 0.00 C ATOM 0 H LEU A 32 -9.090 7.832 3.087 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.368 5.752 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.771 7.797 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.639 7.101 4.834 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.107 5.131 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.005 5.387 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.418 5.350 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.620 6.897 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.204 6.294 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.816 7.841 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.759 6.937 6.333 1.00 0.00 H new ATOM 481 N LEU A 33 -9.653 5.122 4.368 1.00 0.00 N ATOM 482 CA LEU A 33 -10.355 4.081 5.089 1.00 0.00 C ATOM 483 C LEU A 33 -11.105 3.136 4.158 1.00 0.00 C ATOM 484 O LEU A 33 -11.043 1.922 4.328 1.00 0.00 O ATOM 485 CB LEU A 33 -11.310 4.708 6.085 1.00 0.00 C ATOM 486 CG LEU A 33 -10.782 4.783 7.516 1.00 0.00 C ATOM 487 CD1 LEU A 33 -10.654 3.390 8.109 1.00 0.00 C ATOM 488 CD2 LEU A 33 -9.442 5.509 7.562 1.00 0.00 C ATOM 0 H LEU A 33 -10.063 6.050 4.475 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.611 3.483 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.554 5.716 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.239 4.138 6.085 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.496 5.350 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.276 3.462 9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.631 2.907 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.963 2.800 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.086 5.550 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.717 4.974 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.564 6.522 7.179 1.00 0.00 H new ATOM 500 N ASN A 34 -11.821 3.679 3.184 1.00 0.00 N ATOM 501 CA ASN A 34 -12.609 2.845 2.286 1.00 0.00 C ATOM 502 C ASN A 34 -11.703 2.101 1.307 1.00 0.00 C ATOM 503 O ASN A 34 -11.963 0.948 0.960 1.00 0.00 O ATOM 504 CB ASN A 34 -13.711 3.662 1.562 1.00 0.00 C ATOM 505 CG ASN A 34 -13.220 4.700 0.551 1.00 0.00 C ATOM 506 OD1 ASN A 34 -12.260 4.493 -0.183 1.00 0.00 O ATOM 507 ND2 ASN A 34 -13.894 5.841 0.508 1.00 0.00 N ATOM 0 H ASN A 34 -11.873 4.680 2.996 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.127 2.097 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.372 2.966 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.311 4.173 2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.617 6.572 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.689 5.987 1.130 1.00 0.00 H new ATOM 514 N GLN A 35 -10.608 2.740 0.920 1.00 0.00 N ATOM 515 CA GLN A 35 -9.692 2.177 -0.062 1.00 0.00 C ATOM 516 C GLN A 35 -8.853 1.068 0.559 1.00 0.00 C ATOM 517 O GLN A 35 -8.746 -0.045 0.013 1.00 0.00 O ATOM 518 CB GLN A 35 -8.784 3.294 -0.569 1.00 0.00 C ATOM 519 CG GLN A 35 -8.724 3.432 -2.078 1.00 0.00 C ATOM 520 CD GLN A 35 -8.600 4.883 -2.516 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.117 5.743 -1.624 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -8.982 5.238 -3.629 1.00 0.00 N flip ATOM 0 H GLN A 35 -10.331 3.656 1.274 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.260 1.748 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.124 4.239 -0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.775 3.121 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.875 2.865 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.622 2.997 -2.517 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.347 4.549 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.934 6.222 -3.895 1.00 0.00 H new ATOM 531 N MET A 36 -8.314 1.348 1.738 1.00 0.00 N ATOM 532 CA MET A 36 -7.467 0.389 2.420 1.00 0.00 C ATOM 533 C MET A 36 -8.285 -0.422 3.413 1.00 0.00 C ATOM 534 O MET A 36 -7.752 -1.217 4.176 1.00 0.00 O ATOM 535 CB MET A 36 -6.297 1.077 3.119 1.00 0.00 C ATOM 536 CG MET A 36 -5.205 0.098 3.495 1.00 0.00 C ATOM 537 SD MET A 36 -4.711 -0.905 2.082 1.00 0.00 S ATOM 538 CE MET A 36 -3.886 -2.263 2.891 1.00 0.00 C ATOM 0 H MET A 36 -8.449 2.227 2.237 1.00 0.00 H new ATOM 0 HA MET A 36 -7.052 -0.287 1.672 1.00 0.00 H new ATOM 0 HB2 MET A 36 -5.885 1.846 2.465 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.656 1.581 4.016 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.341 0.642 3.877 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.555 -0.550 4.299 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.301 -2.821 2.160 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.225 -1.877 3.667 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.627 -2.923 3.342 1.00 0.00 H new ATOM 548 N GLY A 37 -9.580 -0.177 3.426 1.00 0.00 N ATOM 549 CA GLY A 37 -10.491 -1.081 4.083 1.00 0.00 C ATOM 550 C GLY A 37 -11.025 -2.080 3.087 1.00 0.00 C ATOM 551 O GLY A 37 -11.449 -3.179 3.446 1.00 0.00 O ATOM 0 H GLY A 37 -10.019 0.635 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.981 -1.600 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.314 -0.522 4.529 1.00 0.00 H new ATOM 555 N LYS A 38 -10.995 -1.673 1.821 1.00 0.00 N ATOM 556 CA LYS A 38 -11.385 -2.532 0.718 1.00 0.00 C ATOM 557 C LYS A 38 -10.351 -3.623 0.489 1.00 0.00 C ATOM 558 O LYS A 38 -10.611 -4.800 0.750 1.00 0.00 O ATOM 559 CB LYS A 38 -11.542 -1.707 -0.557 1.00 0.00 C ATOM 560 CG LYS A 38 -12.141 -2.485 -1.718 1.00 0.00 C ATOM 561 CD LYS A 38 -13.531 -2.995 -1.377 1.00 0.00 C ATOM 562 CE LYS A 38 -14.149 -3.757 -2.535 1.00 0.00 C ATOM 563 NZ LYS A 38 -15.504 -4.266 -2.197 1.00 0.00 N ATOM 0 H LYS A 38 -10.699 -0.739 1.536 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.337 -2.999 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.173 -0.844 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.566 -1.323 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.191 -1.847 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.494 -3.325 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.476 -3.643 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.172 -2.154 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.212 -3.106 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.504 -4.592 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.895 -4.781 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.440 -4.907 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.126 -3.467 -1.962 1.00 0.00 H new ATOM 577 N VAL A 39 -9.167 -3.232 0.018 1.00 0.00 N ATOM 578 CA VAL A 39 -8.137 -4.213 -0.326 1.00 0.00 C ATOM 579 C VAL A 39 -7.289 -4.545 0.898 1.00 0.00 C ATOM 580 O VAL A 39 -6.088 -4.275 0.950 1.00 0.00 O ATOM 581 CB VAL A 39 -7.243 -3.742 -1.501 1.00 0.00 C ATOM 582 CG1 VAL A 39 -8.055 -3.659 -2.785 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.582 -2.401 -1.206 1.00 0.00 C ATOM 0 H VAL A 39 -8.899 -2.259 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.649 -5.116 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.451 -4.480 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.413 -3.327 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.463 -4.642 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.872 -2.949 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.964 -2.106 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.350 -1.646 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.959 -2.491 -0.316 1.00 0.00 H new ATOM 593 N ASN A 40 -7.921 -5.161 1.881 1.00 0.00 N ATOM 594 CA ASN A 40 -7.291 -5.327 3.176 1.00 0.00 C ATOM 595 C ASN A 40 -7.747 -6.592 3.897 1.00 0.00 C ATOM 596 O ASN A 40 -6.997 -7.154 4.695 1.00 0.00 O ATOM 597 CB ASN A 40 -7.610 -4.108 4.028 1.00 0.00 C ATOM 598 CG ASN A 40 -6.881 -4.110 5.350 1.00 0.00 C ATOM 599 OD1 ASN A 40 -5.641 -4.546 5.325 1.00 0.00 O flip ATOM 600 ND2 ASN A 40 -7.416 -3.691 6.376 1.00 0.00 N flip ATOM 0 H ASN A 40 -8.861 -5.551 1.808 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.217 -5.426 3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.348 -3.206 3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.684 -4.069 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.381 -3.362 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.894 -3.673 7.252 1.00 0.00 H new ATOM 607 N ASP A 41 -8.961 -7.046 3.616 1.00 0.00 N ATOM 608 CA ASP A 41 -9.520 -8.187 4.332 1.00 0.00 C ATOM 609 C ASP A 41 -8.784 -9.447 3.958 1.00 0.00 C ATOM 610 O ASP A 41 -8.420 -10.259 4.808 1.00 0.00 O ATOM 611 CB ASP A 41 -10.995 -8.377 4.004 1.00 0.00 C ATOM 612 CG ASP A 41 -11.594 -9.544 4.759 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.877 -9.392 5.966 1.00 0.00 O ATOM 614 OD2 ASP A 41 -11.765 -10.622 4.154 1.00 0.00 O ATOM 0 H ASP A 41 -9.573 -6.647 2.905 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.412 -7.987 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.542 -7.467 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.111 -8.540 2.932 1.00 0.00 H new ATOM 619 N THR A 42 -8.563 -9.592 2.672 1.00 0.00 N ATOM 620 CA THR A 42 -7.924 -10.766 2.141 1.00 0.00 C ATOM 621 C THR A 42 -6.698 -10.373 1.312 1.00 0.00 C ATOM 622 O THR A 42 -6.705 -10.466 0.083 1.00 0.00 O ATOM 623 CB THR A 42 -8.920 -11.567 1.289 1.00 0.00 C ATOM 624 OG1 THR A 42 -10.165 -11.707 1.991 1.00 0.00 O ATOM 625 CG2 THR A 42 -8.373 -12.940 0.987 1.00 0.00 C ATOM 0 H THR A 42 -8.822 -8.900 1.969 1.00 0.00 H new ATOM 0 HA THR A 42 -7.592 -11.393 2.968 1.00 0.00 H new ATOM 0 HB THR A 42 -9.080 -11.028 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.795 -12.217 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.092 -13.493 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.435 -12.846 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.196 -13.475 1.920 1.00 0.00 H new ATOM 633 N PRO A 43 -5.627 -9.910 1.980 1.00 0.00 N ATOM 634 CA PRO A 43 -4.409 -9.484 1.314 1.00 0.00 C ATOM 635 C PRO A 43 -3.395 -10.614 1.181 1.00 0.00 C ATOM 636 O PRO A 43 -2.314 -10.419 0.623 1.00 0.00 O ATOM 637 CB PRO A 43 -3.877 -8.409 2.259 1.00 0.00 C ATOM 638 CG PRO A 43 -4.366 -8.793 3.625 1.00 0.00 C ATOM 639 CD PRO A 43 -5.516 -9.753 3.441 1.00 0.00 C ATOM 0 HA PRO A 43 -4.589 -9.143 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.788 -8.366 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.242 -7.422 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.567 -9.258 4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.687 -7.911 4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.320 -10.707 3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.437 -9.358 3.870 1.00 0.00 H new ATOM 647 N GLU A 44 -3.752 -11.786 1.724 1.00 0.00 N ATOM 648 CA GLU A 44 -2.854 -12.946 1.816 1.00 0.00 C ATOM 649 C GLU A 44 -1.764 -12.696 2.860 1.00 0.00 C ATOM 650 O GLU A 44 -1.438 -13.578 3.654 1.00 0.00 O ATOM 651 CB GLU A 44 -2.240 -13.292 0.453 1.00 0.00 C ATOM 652 CG GLU A 44 -1.400 -14.560 0.460 1.00 0.00 C ATOM 653 CD GLU A 44 -2.161 -15.759 0.989 1.00 0.00 C ATOM 654 OE1 GLU A 44 -3.266 -16.042 0.484 1.00 0.00 O ATOM 655 OE2 GLU A 44 -1.662 -16.423 1.922 1.00 0.00 O ATOM 0 H GLU A 44 -4.679 -11.957 2.115 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.446 -13.804 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.041 -13.402 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.620 -12.459 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.057 -14.770 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.511 -14.400 1.071 1.00 0.00 H new ATOM 662 N GLU A 45 -1.225 -11.483 2.840 1.00 0.00 N ATOM 663 CA GLU A 45 -0.246 -11.015 3.814 1.00 0.00 C ATOM 664 C GLU A 45 -0.707 -11.254 5.249 1.00 0.00 C ATOM 665 O GLU A 45 -0.311 -12.228 5.890 1.00 0.00 O ATOM 666 CB GLU A 45 -0.020 -9.520 3.597 1.00 0.00 C ATOM 667 CG GLU A 45 1.351 -9.176 3.068 1.00 0.00 C ATOM 668 CD GLU A 45 2.398 -9.159 4.155 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.864 -10.242 4.554 1.00 0.00 O ATOM 670 OE2 GLU A 45 2.766 -8.058 4.605 1.00 0.00 O ATOM 0 H GLU A 45 -1.460 -10.785 2.134 1.00 0.00 H new ATOM 0 HA GLU A 45 0.677 -11.576 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.771 -9.147 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.175 -8.999 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.635 -9.900 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.317 -8.200 2.585 1.00 0.00 H new ATOM 677 N GLU A 46 -1.538 -10.350 5.747 1.00 0.00 N ATOM 678 CA GLU A 46 -2.053 -10.437 7.105 1.00 0.00 C ATOM 679 C GLU A 46 -3.486 -9.941 7.146 1.00 0.00 C ATOM 680 O GLU A 46 -4.433 -10.717 7.245 1.00 0.00 O ATOM 681 CB GLU A 46 -1.214 -9.587 8.068 1.00 0.00 C ATOM 682 CG GLU A 46 0.262 -9.933 8.088 1.00 0.00 C ATOM 683 CD GLU A 46 1.038 -9.121 9.102 1.00 0.00 C ATOM 684 OE1 GLU A 46 1.211 -7.905 8.897 1.00 0.00 O ATOM 685 OE2 GLU A 46 1.478 -9.704 10.116 1.00 0.00 O ATOM 0 H GLU A 46 -1.872 -9.540 5.225 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.004 -11.481 7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.325 -8.537 7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.615 -9.700 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.379 -10.993 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.683 -9.767 7.097 1.00 0.00 H new ATOM 692 N GLY A 47 -3.617 -8.630 7.042 1.00 0.00 N ATOM 693 CA GLY A 47 -4.906 -7.988 7.093 1.00 0.00 C ATOM 694 C GLY A 47 -4.798 -6.633 7.758 1.00 0.00 C ATOM 695 O GLY A 47 -4.240 -5.704 7.178 1.00 0.00 O ATOM 0 H GLY A 47 -2.833 -7.989 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.302 -7.874 6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.609 -8.614 7.642 1.00 0.00 H new ATOM 699 N MET A 48 -5.268 -6.526 8.989 1.00 0.00 N ATOM 700 CA MET A 48 -5.183 -5.276 9.732 1.00 0.00 C ATOM 701 C MET A 48 -3.734 -4.767 9.870 1.00 0.00 C ATOM 702 O MET A 48 -3.471 -3.589 9.618 1.00 0.00 O ATOM 703 CB MET A 48 -5.850 -5.416 11.104 1.00 0.00 C ATOM 704 CG MET A 48 -5.798 -4.144 11.914 1.00 0.00 C ATOM 705 SD MET A 48 -6.463 -2.731 11.024 1.00 0.00 S ATOM 706 CE MET A 48 -5.614 -1.436 11.901 1.00 0.00 C ATOM 0 H MET A 48 -5.713 -7.290 9.498 1.00 0.00 H new ATOM 0 HA MET A 48 -5.724 -4.525 9.156 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.890 -5.712 10.968 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.361 -6.216 11.660 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.358 -4.283 12.839 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.765 -3.938 12.195 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.900 -0.469 11.488 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.884 -1.474 12.956 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.537 -1.571 11.796 1.00 0.00 H new ATOM 716 N PRO A 49 -2.761 -5.632 10.236 1.00 0.00 N ATOM 717 CA PRO A 49 -1.356 -5.224 10.354 1.00 0.00 C ATOM 718 C PRO A 49 -0.769 -4.908 8.984 1.00 0.00 C ATOM 719 O PRO A 49 0.091 -4.041 8.840 1.00 0.00 O ATOM 720 CB PRO A 49 -0.659 -6.444 10.972 1.00 0.00 C ATOM 721 CG PRO A 49 -1.755 -7.354 11.416 1.00 0.00 C ATOM 722 CD PRO A 49 -2.931 -7.053 10.543 1.00 0.00 C ATOM 0 HA PRO A 49 -1.233 -4.323 10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.013 -6.935 10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.029 -6.151 11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.456 -8.398 11.320 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.997 -7.187 12.466 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.930 -7.664 9.640 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.873 -7.245 11.056 1.00 0.00 H new ATOM 730 N LEU A 50 -1.264 -5.628 7.986 1.00 0.00 N ATOM 731 CA LEU A 50 -0.916 -5.398 6.589 1.00 0.00 C ATOM 732 C LEU A 50 -1.259 -3.958 6.198 1.00 0.00 C ATOM 733 O LEU A 50 -0.455 -3.253 5.591 1.00 0.00 O ATOM 734 CB LEU A 50 -1.674 -6.447 5.747 1.00 0.00 C ATOM 735 CG LEU A 50 -1.763 -6.261 4.227 1.00 0.00 C ATOM 736 CD1 LEU A 50 -2.916 -5.349 3.849 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.473 -5.732 3.647 1.00 0.00 C ATOM 0 H LEU A 50 -1.923 -6.394 8.124 1.00 0.00 H new ATOM 0 HA LEU A 50 0.153 -5.514 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.209 -7.415 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.692 -6.503 6.131 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.945 -7.248 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.952 -5.238 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.853 -5.782 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.773 -4.372 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.580 -5.615 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.242 -4.766 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.335 -6.433 3.858 1.00 0.00 H new ATOM 749 N ARG A 51 -2.441 -3.524 6.595 1.00 0.00 N ATOM 750 CA ARG A 51 -2.872 -2.151 6.394 1.00 0.00 C ATOM 751 C ARG A 51 -2.018 -1.187 7.204 1.00 0.00 C ATOM 752 O ARG A 51 -1.563 -0.170 6.689 1.00 0.00 O ATOM 753 CB ARG A 51 -4.350 -2.035 6.766 1.00 0.00 C ATOM 754 CG ARG A 51 -4.799 -0.671 7.259 1.00 0.00 C ATOM 755 CD ARG A 51 -6.280 -0.692 7.598 1.00 0.00 C ATOM 756 NE ARG A 51 -6.690 0.468 8.384 1.00 0.00 N ATOM 757 CZ ARG A 51 -7.906 0.611 8.911 1.00 0.00 C ATOM 758 NH1 ARG A 51 -8.841 -0.312 8.708 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.187 1.675 9.647 1.00 0.00 N ATOM 0 H ARG A 51 -3.129 -4.112 7.065 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.747 -1.881 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.947 -2.301 5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.570 -2.771 7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.222 -0.387 8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.605 0.081 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.860 -0.725 6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.510 -1.602 8.152 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.008 1.210 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.630 -1.137 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.769 -0.196 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.473 2.385 9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.117 1.785 10.050 1.00 0.00 H new ATOM 773 N ALA A 52 -1.789 -1.526 8.464 1.00 0.00 N ATOM 774 CA ALA A 52 -1.004 -0.687 9.351 1.00 0.00 C ATOM 775 C ALA A 52 0.404 -0.457 8.811 1.00 0.00 C ATOM 776 O ALA A 52 0.858 0.683 8.749 1.00 0.00 O ATOM 777 CB ALA A 52 -0.943 -1.302 10.743 1.00 0.00 C ATOM 0 H ALA A 52 -2.139 -2.382 8.895 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.497 0.283 9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.351 -0.662 11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.952 -1.397 11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.482 -2.288 10.685 1.00 0.00 H new ATOM 783 N TRP A 53 1.090 -1.523 8.393 1.00 0.00 N ATOM 784 CA TRP A 53 2.464 -1.377 7.925 1.00 0.00 C ATOM 785 C TRP A 53 2.508 -0.694 6.567 1.00 0.00 C ATOM 786 O TRP A 53 3.380 0.134 6.317 1.00 0.00 O ATOM 787 CB TRP A 53 3.225 -2.727 7.905 1.00 0.00 C ATOM 788 CG TRP A 53 3.077 -3.582 6.667 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.349 -4.729 6.554 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.709 -3.388 5.386 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.473 -5.249 5.287 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.292 -4.440 4.553 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.572 -2.420 4.860 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.705 -4.553 3.230 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.983 -2.536 3.547 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.548 -3.596 2.744 1.00 0.00 C ATOM 0 H TRP A 53 0.725 -2.475 8.370 1.00 0.00 H new ATOM 0 HA TRP A 53 2.980 -0.738 8.641 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.285 -2.520 8.048 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.896 -3.314 8.763 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.759 -5.167 7.346 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.025 -6.101 4.950 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.911 -1.596 5.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.370 -5.370 2.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.652 -1.796 3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.886 -3.658 1.720 1.00 0.00 H new ATOM 807 N VAL A 54 1.565 -1.031 5.694 1.00 0.00 N ATOM 808 CA VAL A 54 1.576 -0.499 4.342 1.00 0.00 C ATOM 809 C VAL A 54 1.240 0.994 4.345 1.00 0.00 C ATOM 810 O VAL A 54 1.866 1.778 3.631 1.00 0.00 O ATOM 811 CB VAL A 54 0.631 -1.297 3.410 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.776 -0.728 3.390 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.204 -1.376 2.003 1.00 0.00 C ATOM 0 H VAL A 54 0.792 -1.664 5.898 1.00 0.00 H new ATOM 0 HA VAL A 54 2.584 -0.612 3.944 1.00 0.00 H new ATOM 0 HB VAL A 54 0.559 -2.306 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.399 -1.322 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.194 -0.755 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.747 0.303 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.525 -1.941 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.326 -0.370 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.173 -1.874 2.032 1.00 0.00 H new ATOM 823 N ILE A 55 0.265 1.387 5.166 1.00 0.00 N ATOM 824 CA ILE A 55 -0.049 2.796 5.358 1.00 0.00 C ATOM 825 C ILE A 55 1.114 3.518 6.039 1.00 0.00 C ATOM 826 O ILE A 55 1.464 4.633 5.659 1.00 0.00 O ATOM 827 CB ILE A 55 -1.349 2.966 6.172 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.538 2.470 5.348 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.553 4.413 6.600 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.861 2.545 6.076 1.00 0.00 C ATOM 0 H ILE A 55 -0.318 0.747 5.706 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.205 3.245 4.377 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.269 2.369 7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.604 3.058 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.356 1.437 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.478 4.497 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.714 4.731 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.613 5.049 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.655 2.176 5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.816 1.933 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.068 3.580 6.350 1.00 0.00 H new ATOM 842 N LYS A 56 1.723 2.864 7.025 1.00 0.00 N ATOM 843 CA LYS A 56 2.897 3.408 7.705 1.00 0.00 C ATOM 844 C LYS A 56 4.033 3.660 6.718 1.00 0.00 C ATOM 845 O LYS A 56 4.604 4.752 6.677 1.00 0.00 O ATOM 846 CB LYS A 56 3.361 2.441 8.800 1.00 0.00 C ATOM 847 CG LYS A 56 4.804 2.641 9.241 1.00 0.00 C ATOM 848 CD LYS A 56 5.228 1.581 10.243 1.00 0.00 C ATOM 849 CE LYS A 56 6.740 1.514 10.387 1.00 0.00 C ATOM 850 NZ LYS A 56 7.332 2.814 10.798 1.00 0.00 N ATOM 0 H LYS A 56 1.422 1.953 7.372 1.00 0.00 H new ATOM 0 HA LYS A 56 2.620 4.360 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.710 2.552 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.241 1.419 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.460 2.605 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.917 3.630 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.780 1.797 11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.849 0.609 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.998 0.752 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.178 1.203 9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.941 2.671 11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.898 3.200 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.571 3.482 11.037 1.00 0.00 H new ATOM 864 N CYS A 57 4.344 2.650 5.916 1.00 0.00 N ATOM 865 CA CYS A 57 5.436 2.738 4.959 1.00 0.00 C ATOM 866 C CYS A 57 5.173 3.838 3.941 1.00 0.00 C ATOM 867 O CYS A 57 6.059 4.634 3.631 1.00 0.00 O ATOM 868 CB CYS A 57 5.630 1.396 4.251 1.00 0.00 C ATOM 869 SG CYS A 57 7.052 1.347 3.135 1.00 0.00 S ATOM 0 H CYS A 57 3.852 1.757 5.911 1.00 0.00 H new ATOM 0 HA CYS A 57 6.349 2.984 5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.745 0.615 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.729 1.163 3.684 1.00 0.00 H new ATOM 0 HG CYS A 57 7.366 2.557 2.779 1.00 0.00 H new ATOM 875 N ALA A 58 3.946 3.889 3.439 1.00 0.00 N ATOM 876 CA ALA A 58 3.556 4.908 2.477 1.00 0.00 C ATOM 877 C ALA A 58 3.613 6.294 3.107 1.00 0.00 C ATOM 878 O ALA A 58 4.051 7.251 2.475 1.00 0.00 O ATOM 879 CB ALA A 58 2.164 4.625 1.945 1.00 0.00 C ATOM 0 H ALA A 58 3.203 3.234 3.684 1.00 0.00 H new ATOM 0 HA ALA A 58 4.260 4.882 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.886 5.396 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.153 3.651 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.452 4.625 2.770 1.00 0.00 H new ATOM 885 N HIS A 59 3.177 6.381 4.357 1.00 0.00 N ATOM 886 CA HIS A 59 3.185 7.636 5.102 1.00 0.00 C ATOM 887 C HIS A 59 4.608 8.188 5.187 1.00 0.00 C ATOM 888 O HIS A 59 4.860 9.347 4.852 1.00 0.00 O ATOM 889 CB HIS A 59 2.616 7.400 6.510 1.00 0.00 C ATOM 890 CG HIS A 59 2.249 8.646 7.258 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.570 8.624 8.456 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.461 9.951 6.977 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.379 9.858 8.877 1.00 0.00 C ATOM 894 NE2 HIS A 59 1.914 10.685 8.000 1.00 0.00 N ATOM 0 H HIS A 59 2.809 5.588 4.882 1.00 0.00 H new ATOM 0 HA HIS A 59 2.563 8.367 4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.731 6.769 6.428 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.350 6.845 7.095 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.967 10.344 6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.871 10.144 9.786 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.920 11.703 8.070 1.00 0.00 H new ATOM 903 N GLU A 60 5.534 7.338 5.618 1.00 0.00 N ATOM 904 CA GLU A 60 6.927 7.736 5.772 1.00 0.00 C ATOM 905 C GLU A 60 7.563 8.063 4.425 1.00 0.00 C ATOM 906 O GLU A 60 8.246 9.081 4.286 1.00 0.00 O ATOM 907 CB GLU A 60 7.727 6.631 6.462 1.00 0.00 C ATOM 908 CG GLU A 60 7.243 6.303 7.863 1.00 0.00 C ATOM 909 CD GLU A 60 8.153 5.319 8.563 1.00 0.00 C ATOM 910 OE1 GLU A 60 9.185 5.752 9.118 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.850 4.111 8.558 1.00 0.00 O ATOM 0 H GLU A 60 5.344 6.367 5.867 1.00 0.00 H new ATOM 0 HA GLU A 60 6.945 8.634 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.682 5.729 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.774 6.931 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.182 7.220 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.235 5.891 7.811 1.00 0.00 H new ATOM 918 N ALA A 61 7.332 7.200 3.438 1.00 0.00 N ATOM 919 CA ALA A 61 7.914 7.366 2.111 1.00 0.00 C ATOM 920 C ALA A 61 7.418 8.642 1.444 1.00 0.00 C ATOM 921 O ALA A 61 8.192 9.376 0.832 1.00 0.00 O ATOM 922 CB ALA A 61 7.594 6.161 1.235 1.00 0.00 C ATOM 0 H ALA A 61 6.742 6.374 3.535 1.00 0.00 H new ATOM 0 HA ALA A 61 8.995 7.443 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.036 6.301 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.004 5.260 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.513 6.059 1.138 1.00 0.00 H new ATOM 928 N LEU A 62 6.126 8.908 1.581 1.00 0.00 N ATOM 929 CA LEU A 62 5.518 10.074 0.960 1.00 0.00 C ATOM 930 C LEU A 62 6.062 11.353 1.588 1.00 0.00 C ATOM 931 O LEU A 62 6.453 12.263 0.876 1.00 0.00 O ATOM 932 CB LEU A 62 3.987 9.985 1.073 1.00 0.00 C ATOM 933 CG LEU A 62 3.149 10.999 0.266 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.273 12.413 0.814 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.531 10.956 -1.203 1.00 0.00 C ATOM 0 H LEU A 62 5.479 8.330 2.118 1.00 0.00 H new ATOM 0 HA LEU A 62 5.774 10.098 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.686 8.983 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.721 10.092 2.125 1.00 0.00 H new ATOM 0 HG LEU A 62 2.103 10.708 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.666 13.090 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.927 12.434 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.316 12.728 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.930 11.677 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.587 11.204 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.351 9.956 -1.597 1.00 0.00 H new ATOM 947 N GLU A 63 6.112 11.424 2.912 1.00 0.00 N ATOM 948 CA GLU A 63 6.601 12.635 3.571 1.00 0.00 C ATOM 949 C GLU A 63 8.096 12.843 3.332 1.00 0.00 C ATOM 950 O GLU A 63 8.576 13.978 3.320 1.00 0.00 O ATOM 951 CB GLU A 63 6.334 12.593 5.071 1.00 0.00 C ATOM 952 CG GLU A 63 4.865 12.628 5.438 1.00 0.00 C ATOM 953 CD GLU A 63 4.661 12.793 6.925 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.905 11.826 7.673 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.272 13.896 7.358 1.00 0.00 O ATOM 0 H GLU A 63 5.827 10.675 3.543 1.00 0.00 H new ATOM 0 HA GLU A 63 6.056 13.471 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.779 11.688 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.836 13.438 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.378 13.449 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.385 11.707 5.106 1.00 0.00 H new ATOM 962 N LYS A 64 8.826 11.748 3.155 1.00 0.00 N ATOM 963 CA LYS A 64 10.260 11.811 2.893 1.00 0.00 C ATOM 964 C LYS A 64 10.526 12.516 1.565 1.00 0.00 C ATOM 965 O LYS A 64 11.489 13.277 1.424 1.00 0.00 O ATOM 966 CB LYS A 64 10.846 10.396 2.869 1.00 0.00 C ATOM 967 CG LYS A 64 12.345 10.346 2.623 1.00 0.00 C ATOM 968 CD LYS A 64 12.839 8.911 2.543 1.00 0.00 C ATOM 969 CE LYS A 64 14.332 8.845 2.268 1.00 0.00 C ATOM 970 NZ LYS A 64 14.810 7.444 2.147 1.00 0.00 N ATOM 0 H LYS A 64 8.447 10.802 3.188 1.00 0.00 H new ATOM 0 HA LYS A 64 10.740 12.381 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.629 9.909 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.342 9.820 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.582 10.868 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.866 10.869 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.618 8.397 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.300 8.384 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.556 9.386 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.872 9.345 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.833 7.441 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.619 6.934 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.313 6.974 1.363 1.00 0.00 H new ATOM 984 N ASN A 65 9.649 12.269 0.608 1.00 0.00 N ATOM 985 CA ASN A 65 9.746 12.862 -0.716 1.00 0.00 C ATOM 986 C ASN A 65 8.345 13.104 -1.280 1.00 0.00 C ATOM 987 O ASN A 65 7.879 12.382 -2.166 1.00 0.00 O ATOM 988 CB ASN A 65 10.564 11.960 -1.656 1.00 0.00 C ATOM 989 CG ASN A 65 10.265 10.478 -1.484 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.169 10.027 -2.064 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.001 9.753 -0.813 1.00 0.00 N flip ATOM 0 H ASN A 65 8.847 11.650 0.727 1.00 0.00 H new ATOM 0 HA ASN A 65 10.262 13.819 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.362 12.246 -2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.626 12.132 -1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.840 10.139 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.771 8.767 -0.690 1.00 0.00 H new ATOM 998 N PRO A 66 7.656 14.142 -0.773 1.00 0.00 N ATOM 999 CA PRO A 66 6.233 14.387 -1.067 1.00 0.00 C ATOM 1000 C PRO A 66 5.998 14.975 -2.458 1.00 0.00 C ATOM 1001 O PRO A 66 5.149 15.848 -2.650 1.00 0.00 O ATOM 1002 CB PRO A 66 5.833 15.374 0.031 1.00 0.00 C ATOM 1003 CG PRO A 66 7.078 16.142 0.309 1.00 0.00 C ATOM 1004 CD PRO A 66 8.210 15.166 0.135 1.00 0.00 C ATOM 0 HA PRO A 66 5.647 13.468 -1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.027 16.030 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.479 14.855 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.179 16.984 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.067 16.552 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.090 15.646 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.515 14.733 1.088 1.00 0.00 H new ATOM 1012 N LYS A 67 6.748 14.472 -3.422 1.00 0.00 N ATOM 1013 CA LYS A 67 6.655 14.917 -4.801 1.00 0.00 C ATOM 1014 C LYS A 67 6.675 13.712 -5.733 1.00 0.00 C ATOM 1015 O LYS A 67 7.084 13.810 -6.887 1.00 0.00 O ATOM 1016 CB LYS A 67 7.821 15.855 -5.120 1.00 0.00 C ATOM 1017 CG LYS A 67 7.851 17.096 -4.242 1.00 0.00 C ATOM 1018 CD LYS A 67 9.122 17.903 -4.440 1.00 0.00 C ATOM 1019 CE LYS A 67 9.191 19.056 -3.452 1.00 0.00 C ATOM 1020 NZ LYS A 67 10.481 19.787 -3.531 1.00 0.00 N ATOM 0 H LYS A 67 7.442 13.740 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 67 5.719 15.457 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.758 15.312 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.759 16.159 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.986 17.720 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.768 16.802 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.991 17.257 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.158 18.289 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.371 19.748 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.053 18.674 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.483 20.564 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.263 19.135 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.602 20.175 -4.488 1.00 0.00 H new ATOM 1034 N ILE A 68 6.236 12.569 -5.218 1.00 0.00 N ATOM 1035 CA ILE A 68 6.254 11.331 -5.988 1.00 0.00 C ATOM 1036 C ILE A 68 4.882 10.989 -6.539 1.00 0.00 C ATOM 1037 O ILE A 68 3.934 11.766 -6.427 1.00 0.00 O ATOM 1038 CB ILE A 68 6.762 10.139 -5.158 1.00 0.00 C ATOM 1039 CG1 ILE A 68 5.992 10.022 -3.829 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.258 10.268 -4.941 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.299 8.758 -3.054 1.00 0.00 C ATOM 0 H ILE A 68 5.864 12.474 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 68 6.942 11.508 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 68 6.578 9.216 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.227 10.885 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.922 10.060 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.615 9.422 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.766 10.279 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.470 11.195 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.720 8.747 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.037 7.889 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.362 8.727 -2.815 1.00 0.00 H new ATOM 1053 N ARG A 69 4.791 9.806 -7.125 1.00 0.00 N ATOM 1054 CA ARG A 69 3.570 9.362 -7.775 1.00 0.00 C ATOM 1055 C ARG A 69 3.104 8.035 -7.191 1.00 0.00 C ATOM 1056 O ARG A 69 1.925 7.855 -6.900 1.00 0.00 O ATOM 1057 CB ARG A 69 3.810 9.206 -9.278 1.00 0.00 C ATOM 1058 CG ARG A 69 2.549 8.945 -10.083 1.00 0.00 C ATOM 1059 CD ARG A 69 2.874 8.615 -11.533 1.00 0.00 C ATOM 1060 NE ARG A 69 3.447 7.274 -11.678 1.00 0.00 N ATOM 1061 CZ ARG A 69 4.622 7.010 -12.250 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.388 7.996 -12.700 1.00 0.00 N ATOM 1063 NH2 ARG A 69 5.031 5.753 -12.371 1.00 0.00 N ATOM 0 H ARG A 69 5.555 9.132 -7.163 1.00 0.00 H new ATOM 0 HA ARG A 69 2.796 10.110 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.288 10.110 -9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.508 8.385 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.994 8.120 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.903 9.822 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.967 8.688 -12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.575 9.353 -11.924 1.00 0.00 H new ATOM 0 HE ARG A 69 2.909 6.487 -11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.079 8.964 -12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.286 7.786 -13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.447 4.991 -12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.930 5.549 -12.808 1.00 0.00 H new ATOM 1077 N GLU A 70 4.036 7.105 -7.035 1.00 0.00 N ATOM 1078 CA GLU A 70 3.718 5.775 -6.537 1.00 0.00 C ATOM 1079 C GLU A 70 4.986 5.031 -6.114 1.00 0.00 C ATOM 1080 O GLU A 70 6.090 5.378 -6.541 1.00 0.00 O ATOM 1081 CB GLU A 70 2.982 5.000 -7.624 1.00 0.00 C ATOM 1082 CG GLU A 70 3.765 4.921 -8.927 1.00 0.00 C ATOM 1083 CD GLU A 70 2.984 4.286 -10.051 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.288 5.015 -10.780 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.071 3.056 -10.218 1.00 0.00 O ATOM 0 H GLU A 70 5.023 7.249 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 70 3.080 5.866 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.776 3.991 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.019 5.474 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.066 5.926 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.679 4.351 -8.760 1.00 0.00 H new ATOM 1092 N VAL A 71 4.823 4.014 -5.275 1.00 0.00 N ATOM 1093 CA VAL A 71 5.937 3.185 -4.839 1.00 0.00 C ATOM 1094 C VAL A 71 5.579 1.708 -4.963 1.00 0.00 C ATOM 1095 O VAL A 71 4.399 1.340 -4.965 1.00 0.00 O ATOM 1096 CB VAL A 71 6.361 3.488 -3.382 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.861 4.917 -3.248 1.00 0.00 C ATOM 1098 CG2 VAL A 71 5.216 3.229 -2.413 1.00 0.00 C ATOM 0 H VAL A 71 3.922 3.744 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 71 6.779 3.421 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 71 7.179 2.814 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.153 5.105 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.722 5.064 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.068 5.608 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.542 3.450 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.371 3.867 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.914 2.184 -2.478 1.00 0.00 H new ATOM 1108 N TYR A 72 6.592 0.869 -5.082 1.00 0.00 N ATOM 1109 CA TYR A 72 6.383 -0.561 -5.241 1.00 0.00 C ATOM 1110 C TYR A 72 6.909 -1.302 -4.024 1.00 0.00 C ATOM 1111 O TYR A 72 8.111 -1.304 -3.758 1.00 0.00 O ATOM 1112 CB TYR A 72 7.068 -1.050 -6.517 1.00 0.00 C ATOM 1113 CG TYR A 72 6.640 -0.273 -7.741 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.388 -0.467 -8.302 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.479 0.670 -8.320 1.00 0.00 C ATOM 1116 CE1 TYR A 72 4.985 0.251 -9.410 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.080 1.394 -9.427 1.00 0.00 C ATOM 1118 CZ TYR A 72 5.832 1.179 -9.967 1.00 0.00 C ATOM 1119 OH TYR A 72 5.428 1.898 -11.068 1.00 0.00 O ATOM 0 H TYR A 72 7.572 1.153 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 72 5.315 -0.761 -5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.149 -0.969 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.842 -2.106 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.717 -1.192 -7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.459 0.840 -7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.007 0.084 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.743 2.124 -9.866 1.00 0.00 H new ATOM 0 HH TYR A 72 4.576 2.342 -10.874 1.00 0.00 H new ATOM 1129 N LEU A 73 6.005 -1.931 -3.291 1.00 0.00 N ATOM 1130 CA LEU A 73 6.337 -2.507 -2.000 1.00 0.00 C ATOM 1131 C LEU A 73 6.382 -4.030 -2.009 1.00 0.00 C ATOM 1132 O LEU A 73 5.555 -4.699 -2.634 1.00 0.00 O ATOM 1133 CB LEU A 73 5.326 -2.040 -0.958 1.00 0.00 C ATOM 1134 CG LEU A 73 5.769 -0.846 -0.122 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.625 -0.349 0.748 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.960 -1.239 0.734 1.00 0.00 C ATOM 0 H LEU A 73 5.032 -2.056 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 73 7.341 -2.161 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.396 -1.784 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.106 -2.872 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 73 6.062 -0.034 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.960 0.504 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.791 -0.047 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.302 -1.148 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.276 -0.384 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.679 -2.059 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.781 -1.556 0.091 1.00 0.00 H new ATOM 1148 N LYS A 74 7.367 -4.558 -1.296 1.00 0.00 N ATOM 1149 CA LYS A 74 7.452 -5.977 -1.002 1.00 0.00 C ATOM 1150 C LYS A 74 6.979 -6.183 0.433 1.00 0.00 C ATOM 1151 O LYS A 74 7.524 -5.575 1.357 1.00 0.00 O ATOM 1152 CB LYS A 74 8.898 -6.465 -1.158 1.00 0.00 C ATOM 1153 CG LYS A 74 9.065 -7.973 -1.025 1.00 0.00 C ATOM 1154 CD LYS A 74 9.159 -8.659 -2.381 1.00 0.00 C ATOM 1155 CE LYS A 74 7.876 -8.518 -3.180 1.00 0.00 C ATOM 1156 NZ LYS A 74 7.952 -9.225 -4.484 1.00 0.00 N ATOM 0 H LYS A 74 8.132 -4.009 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 74 6.830 -6.546 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.271 -6.154 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.518 -5.974 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.964 -8.188 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.222 -8.383 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.987 -8.232 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.383 -9.716 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.043 -8.915 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.670 -7.461 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.003 -9.548 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.321 -8.577 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.586 -10.045 -4.398 1.00 0.00 H new ATOM 1170 N PRO A 75 5.951 -7.016 0.646 1.00 0.00 N ATOM 1171 CA PRO A 75 5.320 -7.151 1.955 1.00 0.00 C ATOM 1172 C PRO A 75 6.130 -7.988 2.941 1.00 0.00 C ATOM 1173 O PRO A 75 7.273 -8.356 2.664 1.00 0.00 O ATOM 1174 CB PRO A 75 4.001 -7.829 1.622 1.00 0.00 C ATOM 1175 CG PRO A 75 4.319 -8.678 0.451 1.00 0.00 C ATOM 1176 CD PRO A 75 5.320 -7.899 -0.356 1.00 0.00 C ATOM 0 HA PRO A 75 5.218 -6.189 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.636 -8.424 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.226 -7.100 1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.730 -9.638 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.424 -8.890 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.050 -8.554 -0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.839 -7.327 -1.150 1.00 0.00 H new ATOM 1184 N ARG A 76 5.533 -8.299 4.082 1.00 0.00 N ATOM 1185 CA ARG A 76 6.241 -8.988 5.153 1.00 0.00 C ATOM 1186 C ARG A 76 6.459 -10.457 4.808 1.00 0.00 C ATOM 1187 O ARG A 76 7.563 -10.982 4.965 1.00 0.00 O ATOM 1188 CB ARG A 76 5.456 -8.865 6.459 1.00 0.00 C ATOM 1189 CG ARG A 76 5.004 -7.445 6.753 1.00 0.00 C ATOM 1190 CD ARG A 76 4.187 -7.368 8.029 1.00 0.00 C ATOM 1191 NE ARG A 76 5.013 -7.555 9.217 1.00 0.00 N ATOM 1192 CZ ARG A 76 4.547 -7.498 10.461 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.244 -7.365 10.683 1.00 0.00 N ATOM 1194 NH2 ARG A 76 5.382 -7.613 11.486 1.00 0.00 N ATOM 0 H ARG A 76 4.558 -8.085 4.291 1.00 0.00 H new ATOM 0 HA ARG A 76 7.218 -8.520 5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.583 -9.515 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.075 -9.220 7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.876 -6.796 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.411 -7.072 5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.688 -6.400 8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.406 -8.128 8.006 1.00 0.00 H new ATOM 0 HE ARG A 76 6.007 -7.741 9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.596 -7.306 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.891 -7.322 11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.380 -7.745 11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.026 -7.569 12.441 1.00 0.00 H new ATOM 1208 N ALA A 77 5.403 -11.113 4.339 1.00 0.00 N ATOM 1209 CA ALA A 77 5.474 -12.517 3.956 1.00 0.00 C ATOM 1210 C ALA A 77 6.278 -12.695 2.672 1.00 0.00 C ATOM 1211 O ALA A 77 5.722 -12.913 1.595 1.00 0.00 O ATOM 1212 CB ALA A 77 4.077 -13.094 3.788 1.00 0.00 C ATOM 0 H ALA A 77 4.483 -10.691 4.215 1.00 0.00 H new ATOM 0 HA ALA A 77 5.983 -13.058 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.149 -14.143 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.533 -13.011 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.546 -12.542 3.012 1.00 0.00 H new ATOM 1218 N VAL A 78 7.592 -12.600 2.797 1.00 0.00 N ATOM 1219 CA VAL A 78 8.491 -12.773 1.665 1.00 0.00 C ATOM 1220 C VAL A 78 8.500 -14.222 1.185 1.00 0.00 C ATOM 1221 O VAL A 78 8.925 -14.511 0.068 1.00 0.00 O ATOM 1222 CB VAL A 78 9.929 -12.335 2.014 1.00 0.00 C ATOM 1223 CG1 VAL A 78 9.984 -10.833 2.251 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.443 -13.085 3.232 1.00 0.00 C ATOM 0 H VAL A 78 8.064 -12.402 3.679 1.00 0.00 H new ATOM 0 HA VAL A 78 8.118 -12.137 0.862 1.00 0.00 H new ATOM 0 HB VAL A 78 10.573 -12.578 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.005 -10.540 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.663 -10.310 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.323 -10.571 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.458 -12.759 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.797 -12.879 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.443 -14.156 3.027 1.00 0.00 H new ATOM 1234 N LYS A 79 8.012 -15.126 2.031 1.00 0.00 N ATOM 1235 CA LYS A 79 7.901 -16.538 1.671 1.00 0.00 C ATOM 1236 C LYS A 79 6.845 -16.726 0.590 1.00 0.00 C ATOM 1237 O LYS A 79 6.901 -17.672 -0.196 1.00 0.00 O ATOM 1238 CB LYS A 79 7.538 -17.379 2.900 1.00 0.00 C ATOM 1239 CG LYS A 79 8.557 -17.303 4.027 1.00 0.00 C ATOM 1240 CD LYS A 79 9.911 -17.856 3.608 1.00 0.00 C ATOM 1241 CE LYS A 79 10.915 -17.803 4.749 1.00 0.00 C ATOM 1242 NZ LYS A 79 11.166 -16.410 5.206 1.00 0.00 N ATOM 0 H LYS A 79 7.687 -14.906 2.972 1.00 0.00 H new ATOM 0 HA LYS A 79 8.866 -16.870 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.569 -17.052 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.426 -18.419 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.671 -16.266 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.188 -17.861 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.796 -18.886 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.291 -17.285 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.546 -18.398 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.854 -18.254 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.994 -16.395 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.346 -15.801 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.334 -16.058 5.721 1.00 0.00 H new ATOM 1256 N ASN A 80 5.897 -15.793 0.543 1.00 0.00 N ATOM 1257 CA ASN A 80 4.812 -15.827 -0.431 1.00 0.00 C ATOM 1258 C ASN A 80 5.367 -15.673 -1.846 1.00 0.00 C ATOM 1259 O ASN A 80 4.756 -16.115 -2.819 1.00 0.00 O ATOM 1260 CB ASN A 80 3.815 -14.713 -0.125 1.00 0.00 C ATOM 1261 CG ASN A 80 2.527 -14.846 -0.906 1.00 0.00 C ATOM 1262 OD1 ASN A 80 1.909 -13.720 -1.202 1.00 0.00 O flip ATOM 1263 ND2 ASN A 80 2.088 -15.947 -1.236 1.00 0.00 N flip ATOM 0 H ASN A 80 5.860 -14.995 1.177 1.00 0.00 H new ATOM 0 HA ASN A 80 4.301 -16.788 -0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.590 -14.717 0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.273 -13.750 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.598 -16.795 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.215 -16.012 -1.759 1.00 0.00 H new ATOM 1270 N SER A 81 6.539 -15.039 -1.931 1.00 0.00 N ATOM 1271 CA SER A 81 7.304 -14.921 -3.172 1.00 0.00 C ATOM 1272 C SER A 81 6.614 -14.026 -4.206 1.00 0.00 C ATOM 1273 O SER A 81 6.936 -12.842 -4.321 1.00 0.00 O ATOM 1274 CB SER A 81 7.583 -16.309 -3.763 1.00 0.00 C ATOM 1275 OG SER A 81 8.203 -17.158 -2.806 1.00 0.00 O ATOM 0 H SER A 81 6.987 -14.589 -1.132 1.00 0.00 H new ATOM 0 HA SER A 81 8.250 -14.442 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.649 -16.758 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.225 -16.212 -4.638 1.00 0.00 H new ATOM 0 HG SER A 81 7.592 -17.305 -2.054 1.00 0.00 H new ATOM 1281 N SER A 82 5.654 -14.583 -4.930 1.00 0.00 N ATOM 1282 CA SER A 82 5.039 -13.895 -6.054 1.00 0.00 C ATOM 1283 C SER A 82 3.924 -12.953 -5.594 1.00 0.00 C ATOM 1284 O SER A 82 2.762 -13.110 -5.967 1.00 0.00 O ATOM 1285 CB SER A 82 4.495 -14.926 -7.043 1.00 0.00 C ATOM 1286 OG SER A 82 5.481 -15.904 -7.347 1.00 0.00 O ATOM 0 H SER A 82 5.282 -15.517 -4.756 1.00 0.00 H new ATOM 0 HA SER A 82 5.798 -13.285 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.614 -15.410 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.178 -14.426 -7.958 1.00 0.00 H new ATOM 0 HG SER A 82 5.112 -16.555 -7.980 1.00 0.00 H new ATOM 1292 N VAL A 83 4.294 -11.973 -4.786 1.00 0.00 N ATOM 1293 CA VAL A 83 3.344 -10.995 -4.282 1.00 0.00 C ATOM 1294 C VAL A 83 3.969 -9.608 -4.271 1.00 0.00 C ATOM 1295 O VAL A 83 5.125 -9.443 -3.880 1.00 0.00 O ATOM 1296 CB VAL A 83 2.864 -11.358 -2.859 1.00 0.00 C ATOM 1297 CG1 VAL A 83 4.030 -11.392 -1.877 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.784 -10.393 -2.386 1.00 0.00 C ATOM 0 H VAL A 83 5.252 -11.833 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 83 2.481 -11.000 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 83 2.431 -12.358 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.662 -11.650 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.756 -12.138 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.507 -10.412 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.463 -10.670 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.183 -9.379 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.932 -10.439 -3.065 1.00 0.00 H new ATOM 1308 N GLN A 84 3.223 -8.619 -4.731 1.00 0.00 N ATOM 1309 CA GLN A 84 3.685 -7.244 -4.714 1.00 0.00 C ATOM 1310 C GLN A 84 2.553 -6.308 -4.336 1.00 0.00 C ATOM 1311 O GLN A 84 1.421 -6.467 -4.795 1.00 0.00 O ATOM 1312 CB GLN A 84 4.249 -6.837 -6.075 1.00 0.00 C ATOM 1313 CG GLN A 84 5.465 -7.639 -6.496 1.00 0.00 C ATOM 1314 CD GLN A 84 6.045 -7.163 -7.807 1.00 0.00 C ATOM 1315 OE1 GLN A 84 5.981 -5.978 -8.140 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.598 -8.084 -8.570 1.00 0.00 N ATOM 0 H GLN A 84 2.290 -8.745 -5.123 1.00 0.00 H new ATOM 0 HA GLN A 84 4.478 -7.171 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.471 -6.951 -6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.514 -5.780 -6.047 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.227 -7.572 -5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.191 -8.690 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.630 -9.054 -8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.994 -7.827 -9.474 1.00 0.00 H new ATOM 1325 N PHE A 85 2.858 -5.342 -3.493 1.00 0.00 N ATOM 1326 CA PHE A 85 1.891 -4.329 -3.134 1.00 0.00 C ATOM 1327 C PHE A 85 2.241 -3.027 -3.833 1.00 0.00 C ATOM 1328 O PHE A 85 3.319 -2.465 -3.642 1.00 0.00 O ATOM 1329 CB PHE A 85 1.831 -4.133 -1.620 1.00 0.00 C ATOM 1330 CG PHE A 85 1.080 -5.227 -0.911 1.00 0.00 C ATOM 1331 CD1 PHE A 85 1.580 -6.518 -0.863 1.00 0.00 C ATOM 1332 CD2 PHE A 85 -0.139 -4.966 -0.312 1.00 0.00 C ATOM 1333 CE1 PHE A 85 0.879 -7.525 -0.226 1.00 0.00 C ATOM 1334 CE2 PHE A 85 -0.847 -5.967 0.322 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.337 -7.248 0.366 1.00 0.00 C ATOM 0 H PHE A 85 3.768 -5.239 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 85 0.903 -4.656 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.846 -4.083 -1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.357 -3.176 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.529 -6.740 -1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.543 -3.965 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.282 -8.526 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.799 -5.748 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.888 -8.033 0.863 1.00 0.00 H new ATOM 1345 N HIS A 86 1.328 -2.568 -4.652 1.00 0.00 N ATOM 1346 CA HIS A 86 1.555 -1.408 -5.488 1.00 0.00 C ATOM 1347 C HIS A 86 0.851 -0.198 -4.889 1.00 0.00 C ATOM 1348 O HIS A 86 -0.363 -0.054 -5.007 1.00 0.00 O ATOM 1349 CB HIS A 86 1.031 -1.716 -6.899 1.00 0.00 C ATOM 1350 CG HIS A 86 1.296 -0.665 -7.934 1.00 0.00 C ATOM 1351 ND1 HIS A 86 0.887 -0.800 -9.240 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.928 0.530 -7.861 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.255 0.260 -9.926 1.00 0.00 C ATOM 1354 NE2 HIS A 86 1.886 1.082 -9.115 1.00 0.00 N ATOM 0 H HIS A 86 0.404 -2.986 -4.761 1.00 0.00 H new ATOM 0 HA HIS A 86 2.619 -1.179 -5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.476 -2.652 -7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.045 -1.878 -6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.379 0.966 -6.982 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.071 0.427 -10.977 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.281 1.985 -9.377 1.00 0.00 H new ATOM 1363 N VAL A 87 1.619 0.669 -4.250 1.00 0.00 N ATOM 1364 CA VAL A 87 1.058 1.849 -3.614 1.00 0.00 C ATOM 1365 C VAL A 87 1.095 3.026 -4.570 1.00 0.00 C ATOM 1366 O VAL A 87 2.164 3.505 -4.942 1.00 0.00 O ATOM 1367 CB VAL A 87 1.815 2.227 -2.325 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.305 3.545 -1.768 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.690 1.133 -1.282 1.00 0.00 C ATOM 0 H VAL A 87 2.631 0.578 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 87 0.028 1.610 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 87 2.869 2.342 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.853 3.792 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.452 4.333 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.243 3.457 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.233 1.424 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.639 0.981 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.109 0.206 -1.675 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.075 3.478 -4.975 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.188 4.619 -5.856 1.00 0.00 C ATOM 1381 C ILE A 88 -0.709 5.820 -5.087 1.00 0.00 C ATOM 1382 O ILE A 88 -1.656 5.706 -4.308 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.120 4.313 -7.043 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.543 3.167 -7.872 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.321 5.549 -7.907 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.462 2.692 -8.974 1.00 0.00 C ATOM 0 H ILE A 88 -0.968 3.067 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 88 0.804 4.843 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.094 4.014 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.401 3.488 -8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.319 2.329 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.983 5.308 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.766 6.343 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.358 5.883 -8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.985 1.878 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.398 2.340 -8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.666 3.516 -9.658 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.096 6.966 -5.313 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.467 8.175 -4.615 1.00 0.00 C ATOM 1400 C PHE A 89 -1.314 9.058 -5.512 1.00 0.00 C ATOM 1401 O PHE A 89 -0.818 9.654 -6.468 1.00 0.00 O ATOM 1402 CB PHE A 89 0.779 8.912 -4.153 1.00 0.00 C ATOM 1403 CG PHE A 89 1.463 8.173 -3.055 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.952 8.215 -1.773 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.581 7.400 -3.310 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.548 7.506 -0.759 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.176 6.682 -2.296 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.657 6.740 -1.022 1.00 0.00 C ATOM 0 H PHE A 89 0.667 7.082 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.058 7.913 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.463 9.038 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.508 9.911 -3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.075 8.811 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.990 7.359 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.146 7.551 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.046 6.076 -2.500 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.124 6.180 -0.225 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.597 9.113 -5.212 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.534 9.885 -6.011 1.00 0.00 C ATOM 1420 C ASP A 90 -3.426 11.346 -5.640 1.00 0.00 C ATOM 1421 O ASP A 90 -3.250 11.675 -4.468 1.00 0.00 O ATOM 1422 CB ASP A 90 -4.961 9.402 -5.775 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.934 9.957 -6.795 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.820 9.599 -7.986 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.813 10.753 -6.414 1.00 0.00 O ATOM 0 H ASP A 90 -3.018 8.631 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.290 9.753 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.984 8.313 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.280 9.695 -4.775 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.540 12.227 -6.617 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.388 13.634 -6.329 1.00 0.00 C ATOM 1432 C GLU A 91 -4.692 14.190 -5.774 1.00 0.00 C ATOM 1433 O GLU A 91 -5.665 14.381 -6.508 1.00 0.00 O ATOM 1434 CB GLU A 91 -2.972 14.379 -7.606 1.00 0.00 C ATOM 1435 CG GLU A 91 -2.913 15.892 -7.465 1.00 0.00 C ATOM 1436 CD GLU A 91 -1.941 16.356 -6.401 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.724 16.411 -6.687 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -2.394 16.692 -5.287 1.00 0.00 O ATOM 0 H GLU A 91 -3.733 11.998 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.610 13.774 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.992 14.018 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.673 14.128 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.629 16.329 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.908 16.267 -7.227 1.00 0.00 H new