USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 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 85 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 90 TYR OH : rot -171:sc= -0.388 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -4.26! C(o=-10!,f=-29!) USER MOD Set 2.2: A 49 SER OG : rot 74:sc= -3.26! USER MOD Set 2.3: A 86 SER OG : rot -97:sc= 0.615 USER MOD Set 2.4: A 91 HIS : no HE2:sc= -3.26! C(o=-10!,f=-33!) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.0439 (180deg=-0.515) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= -0.678! (180deg=-1.81!) USER MOD Single : A 12 CYS SG : rot -109:sc= -2.27 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00359 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= 0.457 (180deg=-1.21!) USER MOD Single : A 20 GLN : amide:sc= -0.0705 X(o=-0.07,f=-0.57) USER MOD Single : A 27 GLN : amide:sc= -1.81! C(o=-1.8!,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.505 (180deg=0.506) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= -1.31! (180deg=-1.41!) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0.817 (180deg=0.668) USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.144) USER MOD Single : A 44 SER OG : rot -144:sc= -7.15! USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0471 (180deg=-0.374) USER MOD Single : A 55 SER OG : rot 82:sc= 0.881 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.202 (180deg=-0.835) USER MOD Single : A 64 MET CE :methyl -162:sc= -2.53 (180deg=-3.21) USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= 0.169 (180deg=-3.61!) USER MOD Single : A 76 GLN : amide:sc= -1.46! C(o=-1.5!,f=-11!) USER MOD Single : A 81 SER OG : rot 160:sc= -0.649 USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 1.24 (180deg=0.642) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.396 8.715 0.069 1.00 0.00 N ATOM 97 CA LYS A 9 -11.192 8.104 0.588 1.00 0.00 C ATOM 98 C LYS A 9 -10.713 7.036 -0.387 1.00 0.00 C ATOM 99 O LYS A 9 -11.475 6.594 -1.250 1.00 0.00 O ATOM 100 CB LYS A 9 -11.491 7.453 1.943 1.00 0.00 C ATOM 101 CG LYS A 9 -11.919 8.532 2.952 1.00 0.00 C ATOM 102 CD LYS A 9 -12.251 7.876 4.296 1.00 0.00 C ATOM 103 CE LYS A 9 -12.825 8.920 5.254 1.00 0.00 C ATOM 104 NZ LYS A 9 -11.892 10.057 5.364 1.00 0.00 N ATOM 0 HA LYS A 9 -10.421 8.865 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.281 6.709 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.608 6.929 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.120 9.262 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.787 9.073 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.969 7.069 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.354 7.430 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.794 9.265 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.990 8.476 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.093 10.588 6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.915 9.703 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.009 10.683 4.542 1.00 0.00 H new ATOM 118 N ILE A 10 -9.495 6.561 -0.207 1.00 0.00 N ATOM 119 CA ILE A 10 -8.998 5.466 -1.024 1.00 0.00 C ATOM 120 C ILE A 10 -8.982 4.214 -0.187 1.00 0.00 C ATOM 121 O ILE A 10 -8.403 4.201 0.904 1.00 0.00 O ATOM 122 CB ILE A 10 -7.564 5.739 -1.514 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.444 7.159 -2.043 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.201 4.750 -2.627 1.00 0.00 C ATOM 125 CD1 ILE A 10 -8.451 7.355 -3.164 1.00 0.00 C ATOM 0 H ILE A 10 -8.836 6.910 0.489 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.649 5.358 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.880 5.615 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.627 7.876 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.433 7.341 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.186 4.946 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.264 3.732 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.895 4.868 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.372 8.371 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.246 6.645 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.458 7.189 -2.782 1.00 0.00 H new ATOM 137 N LYS A 11 -9.612 3.164 -0.687 1.00 0.00 N ATOM 138 CA LYS A 11 -9.631 1.901 0.019 1.00 0.00 C ATOM 139 C LYS A 11 -8.405 1.105 -0.403 1.00 0.00 C ATOM 140 O LYS A 11 -8.339 0.616 -1.533 1.00 0.00 O ATOM 141 CB LYS A 11 -10.896 1.116 -0.358 1.00 0.00 C ATOM 142 CG LYS A 11 -12.163 1.938 -0.061 1.00 0.00 C ATOM 143 CD LYS A 11 -13.401 1.193 -0.589 1.00 0.00 C ATOM 144 CE LYS A 11 -13.611 -0.115 0.190 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.906 -0.731 -0.198 1.00 0.00 N ATOM 0 H LYS A 11 -10.114 3.164 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.626 2.073 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.866 0.857 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.927 0.179 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.257 2.104 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.090 2.919 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.283 1.826 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.278 0.976 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.793 -0.806 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.599 0.084 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.274 -1.295 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.588 0.017 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.764 -1.347 -1.024 1.00 0.00 H new ATOM 159 N CYS A 12 -7.398 1.041 0.454 1.00 0.00 N ATOM 160 CA CYS A 12 -6.160 0.374 0.076 1.00 0.00 C ATOM 161 C CYS A 12 -5.447 -0.275 1.243 1.00 0.00 C ATOM 162 O CYS A 12 -5.725 0.014 2.409 1.00 0.00 O ATOM 163 CB CYS A 12 -5.221 1.353 -0.659 1.00 0.00 C ATOM 164 SG CYS A 12 -3.736 1.682 0.338 1.00 0.00 S ATOM 0 H CYS A 12 -7.410 1.433 1.396 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.440 -0.435 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.933 0.935 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.745 2.287 -0.860 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.786 2.895 0.803 1.00 0.00 H new ATOM 170 N SER A 13 -4.466 -1.082 0.905 1.00 0.00 N ATOM 171 CA SER A 13 -3.576 -1.696 1.864 1.00 0.00 C ATOM 172 C SER A 13 -2.155 -1.471 1.379 1.00 0.00 C ATOM 173 O SER A 13 -1.928 -1.420 0.166 1.00 0.00 O ATOM 174 CB SER A 13 -3.871 -3.199 1.954 1.00 0.00 C ATOM 175 OG SER A 13 -5.284 -3.397 2.053 1.00 0.00 O ATOM 0 H SER A 13 -4.261 -1.334 -0.062 1.00 0.00 H new ATOM 0 HA SER A 13 -3.713 -1.261 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.481 -3.711 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.370 -3.629 2.822 1.00 0.00 H new ATOM 0 HG SER A 13 -5.477 -4.356 2.109 1.00 0.00 H new ATOM 181 N HIS A 14 -1.199 -1.301 2.293 1.00 0.00 N ATOM 182 CA HIS A 14 0.177 -1.039 1.865 1.00 0.00 C ATOM 183 C HIS A 14 1.216 -1.760 2.703 1.00 0.00 C ATOM 184 O HIS A 14 1.015 -2.017 3.892 1.00 0.00 O ATOM 185 CB HIS A 14 0.471 0.483 1.762 1.00 0.00 C ATOM 186 CG HIS A 14 1.334 0.971 2.906 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.456 1.773 2.700 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.256 0.786 4.258 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.993 2.038 3.910 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.297 1.460 4.889 1.00 0.00 N ATOM 0 H HIS A 14 -1.342 -1.338 3.302 1.00 0.00 H new ATOM 0 HA HIS A 14 0.261 -1.458 0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.970 0.693 0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.469 1.035 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.499 0.203 4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.875 2.642 4.065 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.487 1.503 5.890 1.00 0.00 H new ATOM 198 N ILE A 15 2.328 -2.073 2.064 1.00 0.00 N ATOM 199 CA ILE A 15 3.463 -2.725 2.691 1.00 0.00 C ATOM 200 C ILE A 15 4.715 -1.913 2.417 1.00 0.00 C ATOM 201 O ILE A 15 4.996 -1.573 1.266 1.00 0.00 O ATOM 202 CB ILE A 15 3.609 -4.147 2.131 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.400 -4.972 2.549 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.885 -4.815 2.651 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.348 -6.262 1.741 1.00 0.00 C ATOM 0 H ILE A 15 2.470 -1.877 1.073 1.00 0.00 H new ATOM 0 HA ILE A 15 3.311 -2.789 3.768 1.00 0.00 H new ATOM 0 HB ILE A 15 3.671 -4.089 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.456 -5.201 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.486 -4.398 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.963 -5.821 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.752 -4.229 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.849 -4.871 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.480 -6.847 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.271 -6.024 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.255 -6.839 1.918 1.00 0.00 H new ATOM 217 N LEU A 16 5.455 -1.602 3.460 1.00 0.00 N ATOM 218 CA LEU A 16 6.677 -0.829 3.319 1.00 0.00 C ATOM 219 C LEU A 16 7.858 -1.770 3.381 1.00 0.00 C ATOM 220 O LEU A 16 8.127 -2.361 4.431 1.00 0.00 O ATOM 221 CB LEU A 16 6.773 0.199 4.465 1.00 0.00 C ATOM 222 CG LEU A 16 7.745 1.354 4.116 1.00 0.00 C ATOM 223 CD1 LEU A 16 9.096 0.824 3.631 1.00 0.00 C ATOM 224 CD2 LEU A 16 7.135 2.236 3.027 1.00 0.00 C ATOM 0 H LEU A 16 5.233 -1.872 4.418 1.00 0.00 H new ATOM 0 HA LEU A 16 6.674 -0.301 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.783 0.606 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.110 -0.299 5.374 1.00 0.00 H new ATOM 0 HG LEU A 16 7.907 1.935 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.752 1.662 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.550 0.216 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.949 0.216 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.824 3.046 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.952 1.638 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.193 2.654 3.382 1.00 0.00 H new ATOM 236 N VAL A 17 8.602 -1.851 2.301 1.00 0.00 N ATOM 237 CA VAL A 17 9.777 -2.693 2.253 1.00 0.00 C ATOM 238 C VAL A 17 11.023 -1.883 1.949 1.00 0.00 C ATOM 239 O VAL A 17 10.955 -0.765 1.425 1.00 0.00 O ATOM 240 CB VAL A 17 9.608 -3.816 1.219 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.438 -4.714 1.627 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.329 -3.216 -0.162 1.00 0.00 C ATOM 0 H VAL A 17 8.413 -1.341 1.438 1.00 0.00 H new ATOM 0 HA VAL A 17 9.895 -3.144 3.238 1.00 0.00 H new ATOM 0 HB VAL A 17 10.525 -4.404 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.318 -5.511 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.638 -5.149 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.524 -4.122 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.210 -4.018 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.415 -2.623 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.163 -2.579 -0.457 1.00 0.00 H new ATOM 252 N LYS A 18 12.133 -2.411 2.382 1.00 0.00 N ATOM 253 CA LYS A 18 13.418 -1.759 2.265 1.00 0.00 C ATOM 254 C LYS A 18 13.848 -1.617 0.804 1.00 0.00 C ATOM 255 O LYS A 18 14.499 -0.633 0.438 1.00 0.00 O ATOM 256 CB LYS A 18 14.447 -2.569 3.054 1.00 0.00 C ATOM 257 CG LYS A 18 14.049 -2.537 4.541 1.00 0.00 C ATOM 258 CD LYS A 18 14.945 -3.475 5.362 1.00 0.00 C ATOM 259 CE LYS A 18 16.150 -2.712 5.913 1.00 0.00 C ATOM 260 NZ LYS A 18 16.180 -2.858 7.389 1.00 0.00 N ATOM 0 H LYS A 18 12.177 -3.324 2.836 1.00 0.00 H new ATOM 0 HA LYS A 18 13.344 -0.750 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.480 -3.596 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.444 -2.151 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.132 -1.520 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.006 -2.834 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.374 -3.908 6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.284 -4.302 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.072 -3.098 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.086 -1.659 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.997 -2.342 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.304 -2.470 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.260 -3.865 7.637 1.00 0.00 H new ATOM 274 N LYS A 19 13.606 -2.655 0.006 1.00 0.00 N ATOM 275 CA LYS A 19 14.106 -2.688 -1.374 1.00 0.00 C ATOM 276 C LYS A 19 12.962 -2.778 -2.380 1.00 0.00 C ATOM 277 O LYS A 19 11.958 -3.456 -2.131 1.00 0.00 O ATOM 278 CB LYS A 19 15.010 -3.899 -1.565 1.00 0.00 C ATOM 279 CG LYS A 19 16.195 -3.818 -0.602 1.00 0.00 C ATOM 280 CD LYS A 19 17.122 -5.022 -0.830 1.00 0.00 C ATOM 281 CE LYS A 19 18.049 -5.198 0.378 1.00 0.00 C ATOM 282 NZ LYS A 19 17.230 -5.455 1.595 1.00 0.00 N ATOM 0 H LYS A 19 13.072 -3.479 0.284 1.00 0.00 H new ATOM 0 HA LYS A 19 14.658 -1.764 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.448 -4.816 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.368 -3.939 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.743 -2.889 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.840 -3.808 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.530 -5.925 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.712 -4.873 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.735 -6.027 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.657 -4.304 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.782 -6.020 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.967 -4.550 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.369 -5.975 1.331 1.00 0.00 H new ATOM 296 N GLN A 20 13.162 -2.200 -3.563 1.00 0.00 N ATOM 297 CA GLN A 20 12.173 -2.323 -4.621 1.00 0.00 C ATOM 298 C GLN A 20 12.012 -3.772 -5.016 1.00 0.00 C ATOM 299 O GLN A 20 10.902 -4.237 -5.225 1.00 0.00 O ATOM 300 CB GLN A 20 12.541 -1.494 -5.855 1.00 0.00 C ATOM 301 CG GLN A 20 12.431 -0.009 -5.529 1.00 0.00 C ATOM 302 CD GLN A 20 12.728 0.819 -6.764 1.00 0.00 C ATOM 303 OE1 GLN A 20 11.816 1.131 -7.531 1.00 0.00 O ATOM 304 NE2 GLN A 20 13.942 1.184 -7.019 1.00 0.00 N ATOM 0 H GLN A 20 13.987 -1.652 -3.807 1.00 0.00 H new ATOM 0 HA GLN A 20 11.232 -1.938 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.556 -1.732 -6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.879 -1.744 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.430 0.217 -5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.129 0.249 -4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.697 0.925 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.145 1.731 -7.856 1.00 0.00 H new ATOM 313 N GLY A 21 13.122 -4.489 -5.089 1.00 0.00 N ATOM 314 CA GLY A 21 13.082 -5.899 -5.447 1.00 0.00 C ATOM 315 C GLY A 21 12.218 -6.660 -4.469 1.00 0.00 C ATOM 316 O GLY A 21 11.384 -7.478 -4.870 1.00 0.00 O ATOM 0 H GLY A 21 14.056 -4.122 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.689 -6.014 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.091 -6.310 -5.449 1.00 0.00 H new ATOM 320 N GLU A 22 12.349 -6.316 -3.198 1.00 0.00 N ATOM 321 CA GLU A 22 11.530 -6.914 -2.155 1.00 0.00 C ATOM 322 C GLU A 22 10.074 -6.550 -2.390 1.00 0.00 C ATOM 323 O GLU A 22 9.187 -7.410 -2.348 1.00 0.00 O ATOM 324 CB GLU A 22 11.965 -6.365 -0.796 1.00 0.00 C ATOM 325 CG GLU A 22 13.373 -6.876 -0.432 1.00 0.00 C ATOM 326 CD GLU A 22 13.891 -6.174 0.819 1.00 0.00 C ATOM 327 OE1 GLU A 22 13.140 -5.432 1.415 1.00 0.00 O ATOM 328 OE2 GLU A 22 15.032 -6.389 1.163 1.00 0.00 O ATOM 0 H GLU A 22 13.018 -5.623 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 22 11.649 -7.997 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.962 -5.275 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.252 -6.669 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.343 -7.953 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.056 -6.701 -1.263 1.00 0.00 H new ATOM 335 N ALA A 23 9.842 -5.283 -2.704 1.00 0.00 N ATOM 336 CA ALA A 23 8.498 -4.800 -2.994 1.00 0.00 C ATOM 337 C ALA A 23 7.914 -5.565 -4.168 1.00 0.00 C ATOM 338 O ALA A 23 6.790 -6.057 -4.114 1.00 0.00 O ATOM 339 CB ALA A 23 8.529 -3.299 -3.312 1.00 0.00 C ATOM 0 H ALA A 23 10.568 -4.569 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 23 7.872 -4.960 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.518 -2.952 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.926 -2.754 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.165 -3.124 -4.180 1.00 0.00 H new ATOM 345 N LEU A 24 8.696 -5.679 -5.215 1.00 0.00 N ATOM 346 CA LEU A 24 8.282 -6.396 -6.404 1.00 0.00 C ATOM 347 C LEU A 24 8.050 -7.861 -6.077 1.00 0.00 C ATOM 348 O LEU A 24 7.091 -8.475 -6.554 1.00 0.00 O ATOM 349 CB LEU A 24 9.356 -6.270 -7.484 1.00 0.00 C ATOM 350 CG LEU A 24 9.434 -4.817 -7.971 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.621 -4.669 -8.912 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.146 -4.441 -8.712 1.00 0.00 C ATOM 0 H LEU A 24 9.633 -5.281 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 24 7.351 -5.965 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.322 -6.583 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.125 -6.931 -8.319 1.00 0.00 H new ATOM 0 HG LEU A 24 9.556 -4.156 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.682 -3.638 -9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.539 -4.928 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.494 -5.335 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.211 -3.408 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.015 -5.100 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.295 -4.548 -8.039 1.00 0.00 H new ATOM 364 N ALA A 25 8.934 -8.417 -5.262 1.00 0.00 N ATOM 365 CA ALA A 25 8.830 -9.816 -4.882 1.00 0.00 C ATOM 366 C ALA A 25 7.495 -10.094 -4.217 1.00 0.00 C ATOM 367 O ALA A 25 6.773 -11.021 -4.615 1.00 0.00 O ATOM 368 CB ALA A 25 9.973 -10.206 -3.942 1.00 0.00 C ATOM 0 H ALA A 25 9.727 -7.923 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 25 8.901 -10.417 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.877 -11.257 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.927 -10.047 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.930 -9.592 -3.042 1.00 0.00 H new ATOM 374 N VAL A 26 7.124 -9.250 -3.260 1.00 0.00 N ATOM 375 CA VAL A 26 5.843 -9.396 -2.604 1.00 0.00 C ATOM 376 C VAL A 26 4.736 -9.033 -3.558 1.00 0.00 C ATOM 377 O VAL A 26 3.648 -9.598 -3.501 1.00 0.00 O ATOM 378 CB VAL A 26 5.765 -8.565 -1.315 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.877 -9.003 -0.366 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.935 -7.071 -1.623 1.00 0.00 C ATOM 0 H VAL A 26 7.689 -8.468 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 26 5.725 -10.439 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 26 4.789 -8.724 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.825 -8.416 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.756 -10.060 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.845 -8.847 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.877 -6.500 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.905 -6.904 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.144 -6.747 -2.300 1.00 0.00 H new ATOM 390 N GLN A 27 5.023 -8.086 -4.433 1.00 0.00 N ATOM 391 CA GLN A 27 4.039 -7.629 -5.381 1.00 0.00 C ATOM 392 C GLN A 27 3.605 -8.805 -6.226 1.00 0.00 C ATOM 393 O GLN A 27 2.405 -9.065 -6.403 1.00 0.00 O ATOM 394 CB GLN A 27 4.670 -6.585 -6.299 1.00 0.00 C ATOM 395 CG GLN A 27 3.598 -5.946 -7.155 1.00 0.00 C ATOM 396 CD GLN A 27 4.228 -5.020 -8.175 1.00 0.00 C ATOM 397 OE1 GLN A 27 4.992 -5.469 -9.022 1.00 0.00 O ATOM 398 NE2 GLN A 27 3.985 -3.759 -8.146 1.00 0.00 N ATOM 0 H GLN A 27 5.929 -7.623 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 27 3.189 -7.197 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.177 -5.824 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.425 -7.052 -6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.019 -6.718 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.904 -5.388 -6.526 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.350 -3.378 -7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.427 -3.139 -8.825 1.00 0.00 H new ATOM 407 N GLU A 28 4.584 -9.552 -6.733 1.00 0.00 N ATOM 408 CA GLU A 28 4.290 -10.727 -7.530 1.00 0.00 C ATOM 409 C GLU A 28 3.731 -11.845 -6.670 1.00 0.00 C ATOM 410 O GLU A 28 2.842 -12.583 -7.096 1.00 0.00 O ATOM 411 CB GLU A 28 5.513 -11.196 -8.302 1.00 0.00 C ATOM 412 CG GLU A 28 5.966 -10.095 -9.281 1.00 0.00 C ATOM 413 CD GLU A 28 4.878 -9.758 -10.297 1.00 0.00 C ATOM 414 OE1 GLU A 28 3.964 -10.545 -10.501 1.00 0.00 O ATOM 415 OE2 GLU A 28 4.954 -8.684 -10.867 1.00 0.00 O ATOM 0 H GLU A 28 5.578 -9.362 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 28 3.528 -10.447 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.321 -11.436 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.281 -12.109 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.232 -9.198 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.864 -10.422 -9.805 1.00 0.00 H new ATOM 422 N ARG A 29 4.236 -11.961 -5.457 1.00 0.00 N ATOM 423 CA ARG A 29 3.745 -12.976 -4.535 1.00 0.00 C ATOM 424 C ARG A 29 2.261 -12.739 -4.276 1.00 0.00 C ATOM 425 O ARG A 29 1.471 -13.679 -4.176 1.00 0.00 O ATOM 426 CB ARG A 29 4.525 -12.949 -3.215 1.00 0.00 C ATOM 427 CG ARG A 29 4.063 -14.111 -2.321 1.00 0.00 C ATOM 428 CD ARG A 29 4.786 -14.043 -0.974 1.00 0.00 C ATOM 429 NE ARG A 29 6.228 -14.196 -1.165 1.00 0.00 N ATOM 430 CZ ARG A 29 7.110 -13.846 -0.227 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.695 -13.418 0.929 1.00 0.00 N ATOM 432 NH2 ARG A 29 8.385 -13.959 -0.461 1.00 0.00 N ATOM 0 H ARG A 29 4.981 -11.371 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 29 3.889 -13.959 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.594 -13.030 -3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.365 -11.999 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.985 -14.060 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.271 -15.063 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.575 -13.090 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.414 -14.827 -0.314 1.00 0.00 H new ATOM 0 HE ARG A 29 6.571 -14.583 -2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.695 -13.350 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.369 -13.151 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.709 -14.315 -1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.061 -13.692 0.255 1.00 0.00 H new ATOM 446 N LEU A 30 1.899 -11.471 -4.188 1.00 0.00 N ATOM 447 CA LEU A 30 0.525 -11.067 -3.935 1.00 0.00 C ATOM 448 C LEU A 30 -0.370 -11.624 -5.028 1.00 0.00 C ATOM 449 O LEU A 30 -1.567 -11.854 -4.819 1.00 0.00 O ATOM 450 CB LEU A 30 0.437 -9.525 -3.927 1.00 0.00 C ATOM 451 CG LEU A 30 -0.254 -9.019 -2.646 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.714 -9.466 -2.633 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.461 -9.567 -1.400 1.00 0.00 C ATOM 0 H LEU A 30 2.549 -10.691 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 30 0.200 -11.452 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.438 -9.100 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.116 -9.184 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.206 -7.930 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.197 -9.105 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.227 -9.058 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.761 -10.555 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.039 -9.201 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.431 -10.657 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.498 -9.233 -1.399 1.00 0.00 H new ATOM 465 N LYS A 31 0.208 -11.833 -6.197 1.00 0.00 N ATOM 466 CA LYS A 31 -0.538 -12.322 -7.337 1.00 0.00 C ATOM 467 C LYS A 31 -1.099 -13.699 -7.003 1.00 0.00 C ATOM 468 O LYS A 31 -2.239 -14.019 -7.336 1.00 0.00 O ATOM 469 CB LYS A 31 0.370 -12.428 -8.573 1.00 0.00 C ATOM 470 CG LYS A 31 1.127 -11.100 -8.818 1.00 0.00 C ATOM 471 CD LYS A 31 0.166 -9.941 -9.041 1.00 0.00 C ATOM 472 CE LYS A 31 0.970 -8.650 -9.318 1.00 0.00 C ATOM 473 NZ LYS A 31 1.808 -8.810 -10.540 1.00 0.00 N ATOM 0 H LYS A 31 1.198 -11.670 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.347 -11.626 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.085 -13.239 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.229 -12.677 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.768 -10.883 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.778 -11.206 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.494 -10.158 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.468 -9.806 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.288 -7.810 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.604 -8.419 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.342 -7.934 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.472 -9.599 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.196 -9.009 -11.357 1.00 0.00 H new ATOM 487 N ALA A 32 -0.296 -14.493 -6.299 1.00 0.00 N ATOM 488 CA ALA A 32 -0.699 -15.831 -5.879 1.00 0.00 C ATOM 489 C ALA A 32 -1.962 -15.774 -5.032 1.00 0.00 C ATOM 490 O ALA A 32 -2.697 -16.759 -4.924 1.00 0.00 O ATOM 491 CB ALA A 32 0.431 -16.506 -5.092 1.00 0.00 C ATOM 0 H ALA A 32 0.645 -14.229 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.908 -16.419 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.116 -17.503 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.317 -16.583 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.664 -15.912 -4.209 1.00 0.00 H new ATOM 497 N GLY A 33 -2.194 -14.633 -4.411 1.00 0.00 N ATOM 498 CA GLY A 33 -3.353 -14.461 -3.546 1.00 0.00 C ATOM 499 C GLY A 33 -2.959 -14.600 -2.089 1.00 0.00 C ATOM 500 O GLY A 33 -3.817 -14.681 -1.210 1.00 0.00 O ATOM 0 H GLY A 33 -1.597 -13.809 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.797 -13.480 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.112 -15.202 -3.795 1.00 0.00 H new ATOM 504 N GLU A 34 -1.662 -14.528 -1.826 1.00 0.00 N ATOM 505 CA GLU A 34 -1.171 -14.537 -0.461 1.00 0.00 C ATOM 506 C GLU A 34 -1.776 -13.362 0.290 1.00 0.00 C ATOM 507 O GLU A 34 -1.958 -12.281 -0.282 1.00 0.00 O ATOM 508 CB GLU A 34 0.362 -14.433 -0.458 1.00 0.00 C ATOM 509 CG GLU A 34 0.970 -15.750 -0.951 1.00 0.00 C ATOM 510 CD GLU A 34 0.806 -16.825 0.103 1.00 0.00 C ATOM 511 OE1 GLU A 34 1.444 -16.721 1.128 1.00 0.00 O ATOM 512 OE2 GLU A 34 0.067 -17.751 -0.130 1.00 0.00 O ATOM 0 H GLU A 34 -0.935 -14.463 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.458 -15.468 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.682 -13.611 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.719 -14.210 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.484 -16.060 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.027 -15.610 -1.177 1.00 0.00 H new ATOM 519 N LYS A 35 -2.134 -13.578 1.537 1.00 0.00 N ATOM 520 CA LYS A 35 -2.754 -12.526 2.319 1.00 0.00 C ATOM 521 C LYS A 35 -1.847 -11.307 2.336 1.00 0.00 C ATOM 522 O LYS A 35 -0.663 -11.398 2.672 1.00 0.00 O ATOM 523 CB LYS A 35 -3.047 -13.019 3.748 1.00 0.00 C ATOM 524 CG LYS A 35 -3.562 -11.873 4.646 1.00 0.00 C ATOM 525 CD LYS A 35 -4.916 -11.347 4.145 1.00 0.00 C ATOM 526 CE LYS A 35 -5.336 -10.109 4.967 1.00 0.00 C ATOM 527 NZ LYS A 35 -4.994 -10.301 6.406 1.00 0.00 N ATOM 0 H LYS A 35 -2.009 -14.463 2.029 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.705 -12.249 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.788 -13.818 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.141 -13.443 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.662 -12.227 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.835 -11.061 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.846 -11.087 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.673 -12.126 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.834 -9.221 4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.408 -9.940 4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.328 -9.483 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.452 -11.165 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.963 -10.389 6.509 1.00 0.00 H new ATOM 541 N PHE A 36 -2.405 -10.174 1.977 1.00 0.00 N ATOM 542 CA PHE A 36 -1.640 -8.948 1.913 1.00 0.00 C ATOM 543 C PHE A 36 -1.024 -8.709 3.283 1.00 0.00 C ATOM 544 O PHE A 36 0.169 -8.454 3.412 1.00 0.00 O ATOM 545 CB PHE A 36 -2.565 -7.782 1.513 1.00 0.00 C ATOM 546 CG PHE A 36 -1.754 -6.535 1.246 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.141 -6.361 -0.002 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.619 -5.555 2.234 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.395 -5.213 -0.266 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.869 -4.402 1.967 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.259 -4.233 0.715 1.00 0.00 C ATOM 0 H PHE A 36 -3.388 -10.075 1.724 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.850 -9.020 1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.135 -8.050 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.286 -7.592 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.247 -7.120 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.090 -5.686 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.076 -5.084 -1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.760 -3.642 2.726 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.317 -3.342 0.511 1.00 0.00 H new ATOM 561 N GLY A 37 -1.830 -8.921 4.305 1.00 0.00 N ATOM 562 CA GLY A 37 -1.375 -8.824 5.679 1.00 0.00 C ATOM 563 C GLY A 37 -0.265 -9.814 5.977 1.00 0.00 C ATOM 564 O GLY A 37 0.650 -9.505 6.733 1.00 0.00 O ATOM 0 H GLY A 37 -2.816 -9.165 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.021 -7.812 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.213 -9.004 6.353 1.00 0.00 H new ATOM 568 N LYS A 38 -0.307 -10.990 5.352 1.00 0.00 N ATOM 569 CA LYS A 38 0.760 -11.958 5.542 1.00 0.00 C ATOM 570 C LYS A 38 2.059 -11.332 5.089 1.00 0.00 C ATOM 571 O LYS A 38 3.024 -11.251 5.849 1.00 0.00 O ATOM 572 CB LYS A 38 0.486 -13.206 4.700 1.00 0.00 C ATOM 573 CG LYS A 38 1.584 -14.247 4.912 1.00 0.00 C ATOM 574 CD LYS A 38 1.301 -15.441 3.999 1.00 0.00 C ATOM 575 CE LYS A 38 2.371 -16.516 4.198 1.00 0.00 C ATOM 576 NZ LYS A 38 2.087 -17.655 3.301 1.00 0.00 N ATOM 0 H LYS A 38 -1.054 -11.287 4.724 1.00 0.00 H new ATOM 0 HA LYS A 38 0.818 -12.242 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.481 -13.629 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.432 -12.936 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.561 -13.819 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.609 -14.564 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.316 -15.852 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.287 -15.118 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.359 -16.107 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.381 -16.849 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.959 -18.200 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.368 -18.268 3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.733 -17.300 2.390 1.00 0.00 H new ATOM 590 N LEU A 39 2.026 -10.747 3.902 1.00 0.00 N ATOM 591 CA LEU A 39 3.177 -10.030 3.392 1.00 0.00 C ATOM 592 C LEU A 39 3.492 -8.866 4.308 1.00 0.00 C ATOM 593 O LEU A 39 4.657 -8.601 4.625 1.00 0.00 O ATOM 594 CB LEU A 39 2.911 -9.507 1.967 1.00 0.00 C ATOM 595 CG LEU A 39 3.168 -10.601 0.916 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.620 -11.064 0.993 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.234 -11.796 1.142 1.00 0.00 C ATOM 0 H LEU A 39 1.218 -10.756 3.279 1.00 0.00 H new ATOM 0 HA LEU A 39 4.024 -10.715 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.880 -9.160 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.552 -8.648 1.766 1.00 0.00 H new ATOM 0 HG LEU A 39 2.971 -10.184 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.795 -11.839 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.282 -10.219 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.822 -11.465 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.431 -12.559 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.409 -12.212 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.198 -11.468 1.064 1.00 0.00 H new ATOM 609 N ALA A 40 2.452 -8.179 4.749 1.00 0.00 N ATOM 610 CA ALA A 40 2.637 -7.036 5.615 1.00 0.00 C ATOM 611 C ALA A 40 3.416 -7.431 6.854 1.00 0.00 C ATOM 612 O ALA A 40 4.426 -6.811 7.183 1.00 0.00 O ATOM 613 CB ALA A 40 1.296 -6.400 6.004 1.00 0.00 C ATOM 0 H ALA A 40 1.481 -8.393 4.522 1.00 0.00 H new ATOM 0 HA ALA A 40 3.209 -6.290 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.474 -5.544 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.776 -6.070 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.684 -7.134 6.529 1.00 0.00 H new ATOM 619 N LYS A 41 2.992 -8.508 7.477 1.00 0.00 N ATOM 620 CA LYS A 41 3.677 -9.058 8.637 1.00 0.00 C ATOM 621 C LYS A 41 5.075 -9.547 8.273 1.00 0.00 C ATOM 622 O LYS A 41 6.002 -9.496 9.096 1.00 0.00 O ATOM 623 CB LYS A 41 2.863 -10.215 9.228 1.00 0.00 C ATOM 624 CG LYS A 41 1.581 -9.675 9.879 1.00 0.00 C ATOM 625 CD LYS A 41 0.766 -10.844 10.452 1.00 0.00 C ATOM 626 CE LYS A 41 -0.442 -10.305 11.227 1.00 0.00 C ATOM 627 NZ LYS A 41 0.020 -9.762 12.531 1.00 0.00 N ATOM 0 H LYS A 41 2.162 -9.031 7.197 1.00 0.00 H new ATOM 0 HA LYS A 41 3.774 -8.264 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.610 -10.930 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.459 -10.750 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.832 -8.970 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.989 -9.131 9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.431 -11.495 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.392 -11.448 11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.941 -9.526 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.171 -11.099 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.723 -9.898 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.883 -10.261 12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.224 -8.747 12.432 1.00 0.00 H new ATOM 641 N GLU A 42 5.175 -10.158 7.110 1.00 0.00 N ATOM 642 CA GLU A 42 6.391 -10.842 6.689 1.00 0.00 C ATOM 643 C GLU A 42 7.566 -9.907 6.363 1.00 0.00 C ATOM 644 O GLU A 42 8.699 -10.193 6.768 1.00 0.00 O ATOM 645 CB GLU A 42 6.076 -11.752 5.495 1.00 0.00 C ATOM 646 CG GLU A 42 5.333 -13.016 5.968 1.00 0.00 C ATOM 647 CD GLU A 42 6.264 -13.945 6.730 1.00 0.00 C ATOM 648 OE1 GLU A 42 7.457 -13.866 6.523 1.00 0.00 O ATOM 649 OE2 GLU A 42 5.767 -14.737 7.499 1.00 0.00 O ATOM 0 H GLU A 42 4.419 -10.197 6.427 1.00 0.00 H new ATOM 0 HA GLU A 42 6.726 -11.432 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.466 -11.214 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.000 -12.033 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.496 -12.732 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.916 -13.540 5.108 1.00 0.00 H new ATOM 656 N LEU A 43 7.343 -8.822 5.620 1.00 0.00 N ATOM 657 CA LEU A 43 8.491 -7.961 5.254 1.00 0.00 C ATOM 658 C LEU A 43 8.363 -6.504 5.660 1.00 0.00 C ATOM 659 O LEU A 43 9.371 -5.798 5.713 1.00 0.00 O ATOM 660 CB LEU A 43 8.930 -8.072 3.768 1.00 0.00 C ATOM 661 CG LEU A 43 7.821 -8.611 2.849 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.426 -10.034 3.226 1.00 0.00 C ATOM 663 CD2 LEU A 43 6.600 -7.689 2.865 1.00 0.00 C ATOM 0 H LEU A 43 6.433 -8.521 5.271 1.00 0.00 H new ATOM 0 HA LEU A 43 9.288 -8.385 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.242 -7.090 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.799 -8.726 3.700 1.00 0.00 H new ATOM 0 HG LEU A 43 8.219 -8.634 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.640 -10.383 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.294 -10.688 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.061 -10.050 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.830 -8.093 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.210 -7.620 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.889 -6.697 2.519 1.00 0.00 H new ATOM 675 N SER A 44 7.146 -6.007 5.836 1.00 0.00 N ATOM 676 CA SER A 44 6.983 -4.580 6.083 1.00 0.00 C ATOM 677 C SER A 44 7.888 -4.101 7.210 1.00 0.00 C ATOM 678 O SER A 44 7.949 -4.722 8.274 1.00 0.00 O ATOM 679 CB SER A 44 5.545 -4.264 6.455 1.00 0.00 C ATOM 680 OG SER A 44 4.686 -4.974 5.605 1.00 0.00 O ATOM 0 H SER A 44 6.282 -6.549 5.814 1.00 0.00 H new ATOM 0 HA SER A 44 7.255 -4.064 5.162 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.356 -4.536 7.493 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.360 -3.193 6.368 1.00 0.00 H new ATOM 0 HG SER A 44 3.895 -4.429 5.409 1.00 0.00 H new ATOM 686 N ILE A 45 8.495 -2.948 7.016 1.00 0.00 N ATOM 687 CA ILE A 45 9.261 -2.303 8.071 1.00 0.00 C ATOM 688 C ILE A 45 8.408 -1.226 8.734 1.00 0.00 C ATOM 689 O ILE A 45 8.768 -0.675 9.773 1.00 0.00 O ATOM 690 CB ILE A 45 10.582 -1.725 7.520 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.290 -0.724 6.399 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.457 -2.856 6.963 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.592 -0.067 5.935 1.00 0.00 C ATOM 0 H ILE A 45 8.474 -2.434 6.135 1.00 0.00 H new ATOM 0 HA ILE A 45 9.529 -3.044 8.824 1.00 0.00 H new ATOM 0 HB ILE A 45 11.106 -1.221 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.810 -1.232 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.594 0.037 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.387 -2.440 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.681 -3.568 7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.925 -3.365 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.377 0.644 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 45 12.054 0.456 6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.274 -0.832 5.564 1.00 0.00 H new ATOM 705 N ASP A 46 7.213 -1.011 8.171 1.00 0.00 N ATOM 706 CA ASP A 46 6.244 -0.067 8.736 1.00 0.00 C ATOM 707 C ASP A 46 5.382 -0.774 9.761 1.00 0.00 C ATOM 708 O ASP A 46 4.567 -1.635 9.415 1.00 0.00 O ATOM 709 CB ASP A 46 5.349 0.496 7.623 1.00 0.00 C ATOM 710 CG ASP A 46 4.357 1.514 8.172 1.00 0.00 C ATOM 711 OD1 ASP A 46 4.318 1.722 9.370 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.645 2.074 7.380 1.00 0.00 O ATOM 0 H ASP A 46 6.894 -1.480 7.323 1.00 0.00 H new ATOM 0 HA ASP A 46 6.784 0.751 9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.968 0.964 6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.808 -0.319 7.141 1.00 0.00 H new ATOM 717 N GLY A 47 5.608 -0.463 11.022 1.00 0.00 N ATOM 718 CA GLY A 47 4.900 -1.128 12.099 1.00 0.00 C ATOM 719 C GLY A 47 3.416 -0.843 12.056 1.00 0.00 C ATOM 720 O GLY A 47 2.605 -1.756 12.195 1.00 0.00 O ATOM 0 H GLY A 47 6.276 0.245 11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.066 -2.203 12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.305 -0.801 13.057 1.00 0.00 H new ATOM 724 N GLY A 48 3.051 0.406 11.822 1.00 0.00 N ATOM 725 CA GLY A 48 1.643 0.773 11.798 1.00 0.00 C ATOM 726 C GLY A 48 0.910 -0.068 10.790 1.00 0.00 C ATOM 727 O GLY A 48 -0.067 -0.756 11.121 1.00 0.00 O ATOM 0 H GLY A 48 3.699 1.174 11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.206 0.634 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.538 1.829 11.548 1.00 0.00 H new ATOM 731 N SER A 49 1.456 -0.136 9.604 1.00 0.00 N ATOM 732 CA SER A 49 0.917 -0.995 8.586 1.00 0.00 C ATOM 733 C SER A 49 0.951 -2.448 9.044 1.00 0.00 C ATOM 734 O SER A 49 0.019 -3.207 8.796 1.00 0.00 O ATOM 735 CB SER A 49 1.700 -0.813 7.299 1.00 0.00 C ATOM 736 OG SER A 49 1.742 0.578 6.994 1.00 0.00 O ATOM 0 H SER A 49 2.278 0.397 9.320 1.00 0.00 H new ATOM 0 HA SER A 49 -0.123 -0.726 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.710 -1.208 7.410 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.229 -1.366 6.486 1.00 0.00 H new ATOM 0 HG SER A 49 2.362 1.028 7.605 1.00 0.00 H new ATOM 742 N ALA A 50 1.978 -2.801 9.803 1.00 0.00 N ATOM 743 CA ALA A 50 2.080 -4.142 10.358 1.00 0.00 C ATOM 744 C ALA A 50 0.987 -4.384 11.384 1.00 0.00 C ATOM 745 O ALA A 50 0.392 -5.465 11.444 1.00 0.00 O ATOM 746 CB ALA A 50 3.458 -4.359 10.995 1.00 0.00 C ATOM 0 H ALA A 50 2.749 -2.180 10.048 1.00 0.00 H new ATOM 0 HA ALA A 50 1.955 -4.855 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.515 -5.368 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.233 -4.230 10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.607 -3.634 11.795 1.00 0.00 H new ATOM 752 N LYS A 51 0.689 -3.354 12.162 1.00 0.00 N ATOM 753 CA LYS A 51 -0.349 -3.440 13.178 1.00 0.00 C ATOM 754 C LYS A 51 -1.684 -3.666 12.508 1.00 0.00 C ATOM 755 O LYS A 51 -2.505 -4.466 12.974 1.00 0.00 O ATOM 756 CB LYS A 51 -0.391 -2.157 14.024 1.00 0.00 C ATOM 757 CG LYS A 51 0.914 -1.990 14.835 1.00 0.00 C ATOM 758 CD LYS A 51 1.048 -3.119 15.867 1.00 0.00 C ATOM 759 CE LYS A 51 2.355 -2.961 16.655 1.00 0.00 C ATOM 760 NZ LYS A 51 2.345 -1.684 17.413 1.00 0.00 N ATOM 0 H LYS A 51 1.153 -2.447 12.109 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.127 -4.275 13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.534 -1.293 13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.244 -2.191 14.702 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.772 -1.999 14.163 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.915 -1.024 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.198 -3.101 16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.032 -4.086 15.364 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.478 -3.799 17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.205 -2.981 15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.066 -1.719 18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.555 -0.896 16.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.408 -1.541 17.841 1.00 0.00 H new ATOM 774 N ARG A 52 -1.883 -2.998 11.394 1.00 0.00 N ATOM 775 CA ARG A 52 -3.093 -3.162 10.619 1.00 0.00 C ATOM 776 C ARG A 52 -2.876 -4.127 9.463 1.00 0.00 C ATOM 777 O ARG A 52 -3.521 -4.005 8.424 1.00 0.00 O ATOM 778 CB ARG A 52 -3.607 -1.827 10.093 1.00 0.00 C ATOM 779 CG ARG A 52 -4.052 -0.926 11.253 1.00 0.00 C ATOM 780 CD ARG A 52 -4.761 0.289 10.662 1.00 0.00 C ATOM 781 NE ARG A 52 -5.977 -0.170 9.997 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.760 0.625 9.278 1.00 0.00 C ATOM 783 NH1 ARG A 52 -6.471 1.887 9.149 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.820 0.129 8.700 1.00 0.00 N ATOM 0 H ARG A 52 -1.218 -2.332 11.002 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.847 -3.579 11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.825 -1.330 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.443 -1.995 9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.720 -1.469 11.922 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.192 -0.614 11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.004 1.006 11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.110 0.801 9.953 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.238 -1.152 10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.640 2.269 9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.075 2.495 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.041 -0.862 8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.428 0.732 8.145 1.00 0.00 H new ATOM 798 N ASP A 53 -1.899 -5.028 9.626 1.00 0.00 N ATOM 799 CA ASP A 53 -1.533 -6.013 8.593 1.00 0.00 C ATOM 800 C ASP A 53 -1.650 -5.451 7.175 1.00 0.00 C ATOM 801 O ASP A 53 -2.094 -6.128 6.241 1.00 0.00 O ATOM 802 CB ASP A 53 -2.281 -7.361 8.777 1.00 0.00 C ATOM 803 CG ASP A 53 -3.628 -7.411 8.053 1.00 0.00 C ATOM 804 OD1 ASP A 53 -4.258 -6.395 7.914 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.020 -8.494 7.674 1.00 0.00 O ATOM 0 H ASP A 53 -1.339 -5.097 10.476 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.475 -6.233 8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.650 -8.171 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.442 -7.537 9.841 1.00 0.00 H new ATOM 810 N GLY A 54 -1.195 -4.228 7.015 1.00 0.00 N ATOM 811 CA GLY A 54 -1.170 -3.566 5.721 1.00 0.00 C ATOM 812 C GLY A 54 -2.552 -3.108 5.306 1.00 0.00 C ATOM 813 O GLY A 54 -2.685 -2.237 4.442 1.00 0.00 O ATOM 0 H GLY A 54 -0.830 -3.659 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.498 -2.708 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.770 -4.248 4.970 1.00 0.00 H new ATOM 817 N SER A 55 -3.575 -3.635 5.964 1.00 0.00 N ATOM 818 CA SER A 55 -4.944 -3.254 5.675 1.00 0.00 C ATOM 819 C SER A 55 -5.240 -1.861 6.206 1.00 0.00 C ATOM 820 O SER A 55 -5.860 -1.696 7.259 1.00 0.00 O ATOM 821 CB SER A 55 -5.908 -4.276 6.268 1.00 0.00 C ATOM 822 OG SER A 55 -5.432 -5.588 5.974 1.00 0.00 O ATOM 0 H SER A 55 -3.479 -4.330 6.704 1.00 0.00 H new ATOM 0 HA SER A 55 -5.079 -3.235 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.988 -4.137 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.907 -4.136 5.854 1.00 0.00 H new ATOM 0 HG SER A 55 -4.745 -5.840 6.626 1.00 0.00 H new ATOM 828 N LEU A 56 -4.771 -0.865 5.478 1.00 0.00 N ATOM 829 CA LEU A 56 -4.976 0.526 5.843 1.00 0.00 C ATOM 830 C LEU A 56 -6.458 0.843 5.783 1.00 0.00 C ATOM 831 O LEU A 56 -6.969 1.667 6.555 1.00 0.00 O ATOM 832 CB LEU A 56 -4.216 1.443 4.891 1.00 0.00 C ATOM 833 CG LEU A 56 -2.702 1.222 5.032 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.985 2.025 3.954 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.216 1.680 6.413 1.00 0.00 C ATOM 0 H LEU A 56 -4.238 -0.996 4.618 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.603 0.689 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.525 1.248 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.460 2.484 5.105 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.485 0.160 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.909 1.876 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.316 1.691 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.216 3.083 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.142 1.515 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.431 2.741 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.729 1.110 7.187 1.00 0.00 H new ATOM 847 N GLY A 57 -7.113 0.278 4.788 1.00 0.00 N ATOM 848 CA GLY A 57 -8.517 0.533 4.554 1.00 0.00 C ATOM 849 C GLY A 57 -8.686 1.815 3.791 1.00 0.00 C ATOM 850 O GLY A 57 -7.918 2.106 2.871 1.00 0.00 O ATOM 0 H GLY A 57 -6.688 -0.368 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.957 -0.293 3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.047 0.593 5.504 1.00 0.00 H new ATOM 854 N TYR A 58 -9.704 2.565 4.136 1.00 0.00 N ATOM 855 CA TYR A 58 -9.987 3.805 3.455 1.00 0.00 C ATOM 856 C TYR A 58 -9.176 4.921 4.080 1.00 0.00 C ATOM 857 O TYR A 58 -9.081 5.004 5.312 1.00 0.00 O ATOM 858 CB TYR A 58 -11.481 4.169 3.570 1.00 0.00 C ATOM 859 CG TYR A 58 -12.322 2.963 3.957 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.154 1.730 3.318 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.279 3.097 4.957 1.00 0.00 C ATOM 862 CE1 TYR A 58 -12.949 0.642 3.687 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.076 2.019 5.319 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.914 0.791 4.690 1.00 0.00 C ATOM 865 OH TYR A 58 -14.721 -0.263 5.041 1.00 0.00 O ATOM 0 H TYR A 58 -10.354 2.337 4.889 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.727 3.681 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.608 4.956 4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.833 4.569 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.412 1.619 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.403 4.047 5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.819 -0.313 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.823 2.135 6.091 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.332 0.016 5.754 1.00 0.00 H new ATOM 875 N PHE A 59 -8.647 5.815 3.262 1.00 0.00 N ATOM 876 CA PHE A 59 -7.931 6.979 3.781 1.00 0.00 C ATOM 877 C PHE A 59 -8.167 8.196 2.899 1.00 0.00 C ATOM 878 O PHE A 59 -8.465 8.061 1.711 1.00 0.00 O ATOM 879 CB PHE A 59 -6.430 6.695 3.911 1.00 0.00 C ATOM 880 CG PHE A 59 -5.833 6.398 2.554 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.339 7.445 1.763 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.768 5.081 2.087 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.776 7.171 0.510 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.205 4.811 0.838 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.712 5.857 0.051 1.00 0.00 C ATOM 0 H PHE A 59 -8.696 5.763 2.245 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.322 7.192 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.928 7.554 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.269 5.849 4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.393 8.463 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.153 4.274 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.392 7.976 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.150 3.794 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.280 5.645 -0.916 1.00 0.00 H new ATOM 895 N GLY A 60 -8.074 9.378 3.489 1.00 0.00 N ATOM 896 CA GLY A 60 -8.300 10.617 2.760 1.00 0.00 C ATOM 897 C GLY A 60 -6.994 11.162 2.183 1.00 0.00 C ATOM 898 O GLY A 60 -5.913 10.647 2.471 1.00 0.00 O ATOM 0 H GLY A 60 -7.843 9.506 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.013 10.443 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.745 11.358 3.425 1.00 0.00 H new ATOM 902 N ARG A 61 -7.101 12.199 1.378 1.00 0.00 N ATOM 903 CA ARG A 61 -5.952 12.797 0.700 1.00 0.00 C ATOM 904 C ARG A 61 -5.230 13.812 1.585 1.00 0.00 C ATOM 905 O ARG A 61 -5.858 14.534 2.371 1.00 0.00 O ATOM 906 CB ARG A 61 -6.448 13.466 -0.575 1.00 0.00 C ATOM 907 CG ARG A 61 -6.977 12.386 -1.523 1.00 0.00 C ATOM 908 CD ARG A 61 -7.582 13.046 -2.766 1.00 0.00 C ATOM 909 NE ARG A 61 -8.772 13.811 -2.380 1.00 0.00 N ATOM 910 CZ ARG A 61 -9.901 13.199 -1.994 1.00 0.00 C ATOM 911 NH1 ARG A 61 -9.959 11.895 -2.010 1.00 0.00 N ATOM 912 NH2 ARG A 61 -10.933 13.899 -1.615 1.00 0.00 N ATOM 0 H ARG A 61 -7.988 12.658 1.170 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.231 12.013 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.235 14.184 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.639 14.022 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.169 11.714 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.729 11.781 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.850 13.703 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.847 12.287 -3.502 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.740 14.830 -2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.151 11.352 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.813 11.419 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.885 14.918 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.789 13.428 -1.322 1.00 0.00 H new ATOM 926 N GLY A 62 -3.925 13.922 1.393 1.00 0.00 N ATOM 927 CA GLY A 62 -3.122 14.914 2.095 1.00 0.00 C ATOM 928 C GLY A 62 -2.164 14.273 3.089 1.00 0.00 C ATOM 929 O GLY A 62 -0.956 14.523 3.053 1.00 0.00 O ATOM 0 H GLY A 62 -3.395 13.332 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.555 15.499 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.779 15.607 2.620 1.00 0.00 H new ATOM 933 N LYS A 63 -2.708 13.484 4.010 1.00 0.00 N ATOM 934 CA LYS A 63 -1.907 12.855 5.064 1.00 0.00 C ATOM 935 C LYS A 63 -0.856 11.923 4.473 1.00 0.00 C ATOM 936 O LYS A 63 0.260 11.796 5.004 1.00 0.00 O ATOM 937 CB LYS A 63 -2.813 12.085 6.044 1.00 0.00 C ATOM 938 CG LYS A 63 -1.983 11.536 7.213 1.00 0.00 C ATOM 939 CD LYS A 63 -2.904 10.803 8.202 1.00 0.00 C ATOM 940 CE LYS A 63 -2.083 10.265 9.383 1.00 0.00 C ATOM 941 NZ LYS A 63 -1.175 11.329 9.894 1.00 0.00 N ATOM 0 H LYS A 63 -3.703 13.262 4.051 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.392 13.645 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.595 12.744 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.309 11.265 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.218 10.855 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.465 12.351 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.676 11.482 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.413 9.981 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.749 9.930 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.502 9.398 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.868 11.090 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.343 11.403 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.679 12.239 9.907 1.00 0.00 H new ATOM 955 N MET A 64 -1.247 11.211 3.442 1.00 0.00 N ATOM 956 CA MET A 64 -0.386 10.222 2.816 1.00 0.00 C ATOM 957 C MET A 64 0.601 10.917 1.884 1.00 0.00 C ATOM 958 O MET A 64 0.311 11.995 1.365 1.00 0.00 O ATOM 959 CB MET A 64 -1.240 9.238 2.011 1.00 0.00 C ATOM 960 CG MET A 64 -2.377 8.702 2.897 1.00 0.00 C ATOM 961 SD MET A 64 -1.689 7.768 4.282 1.00 0.00 S ATOM 962 CE MET A 64 -1.385 6.238 3.370 1.00 0.00 C ATOM 0 H MET A 64 -2.167 11.297 3.011 1.00 0.00 H new ATOM 0 HA MET A 64 0.164 9.682 3.587 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.652 9.733 1.132 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.624 8.413 1.653 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.981 9.530 3.269 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.038 8.064 2.310 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.259 5.414 4.073 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.231 6.030 2.715 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.481 6.345 2.771 1.00 0.00 H new ATOM 972 N VAL A 65 1.749 10.299 1.659 1.00 0.00 N ATOM 973 CA VAL A 65 2.741 10.873 0.761 1.00 0.00 C ATOM 974 C VAL A 65 2.232 10.843 -0.686 1.00 0.00 C ATOM 975 O VAL A 65 1.560 9.891 -1.101 1.00 0.00 O ATOM 976 CB VAL A 65 4.098 10.149 0.902 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.563 10.241 2.355 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.956 8.672 0.532 1.00 0.00 C ATOM 0 H VAL A 65 2.017 9.409 2.080 1.00 0.00 H new ATOM 0 HA VAL A 65 2.900 11.915 1.039 1.00 0.00 H new ATOM 0 HB VAL A 65 4.819 10.621 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.521 9.732 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.675 11.288 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.826 9.768 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.921 8.176 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.231 8.199 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.614 8.587 -0.499 1.00 0.00 H new ATOM 988 N LYS A 66 2.463 11.928 -1.406 1.00 0.00 N ATOM 989 CA LYS A 66 1.917 12.095 -2.747 1.00 0.00 C ATOM 990 C LYS A 66 2.053 10.843 -3.602 1.00 0.00 C ATOM 991 O LYS A 66 1.080 10.399 -4.195 1.00 0.00 O ATOM 992 CB LYS A 66 2.534 13.306 -3.461 1.00 0.00 C ATOM 993 CG LYS A 66 1.420 14.291 -3.860 1.00 0.00 C ATOM 994 CD LYS A 66 0.824 13.904 -5.234 1.00 0.00 C ATOM 995 CE LYS A 66 -0.589 13.331 -5.056 1.00 0.00 C ATOM 996 NZ LYS A 66 -1.359 14.180 -4.111 1.00 0.00 N ATOM 0 H LYS A 66 3.029 12.713 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 66 0.850 12.278 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.253 13.799 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.080 12.980 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.636 14.289 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.820 15.304 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.791 14.779 -5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.464 13.169 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.098 13.288 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.533 12.310 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.356 14.209 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.291 13.782 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.969 15.144 -4.114 1.00 0.00 H new ATOM 1010 N PRO A 67 3.227 10.289 -3.716 1.00 0.00 N ATOM 1011 CA PRO A 67 3.403 9.081 -4.585 1.00 0.00 C ATOM 1012 C PRO A 67 2.531 7.924 -4.108 1.00 0.00 C ATOM 1013 O PRO A 67 1.962 7.176 -4.917 1.00 0.00 O ATOM 1014 CB PRO A 67 4.897 8.748 -4.454 1.00 0.00 C ATOM 1015 CG PRO A 67 5.319 9.394 -3.178 1.00 0.00 C ATOM 1016 CD PRO A 67 4.503 10.677 -3.082 1.00 0.00 C ATOM 0 HA PRO A 67 3.104 9.260 -5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.061 7.671 -4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.465 9.135 -5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.127 8.742 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.388 9.608 -3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.363 10.993 -2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.982 11.504 -3.606 1.00 0.00 H new ATOM 1024 N PHE A 68 2.325 7.857 -2.800 1.00 0.00 N ATOM 1025 CA PHE A 68 1.410 6.881 -2.228 1.00 0.00 C ATOM 1026 C PHE A 68 0.010 7.141 -2.750 1.00 0.00 C ATOM 1027 O PHE A 68 -0.667 6.236 -3.236 1.00 0.00 O ATOM 1028 CB PHE A 68 1.407 6.971 -0.699 1.00 0.00 C ATOM 1029 CG PHE A 68 0.599 5.842 -0.117 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.788 5.967 0.032 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.239 4.660 0.261 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.527 4.907 0.567 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.501 3.608 0.794 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.883 3.728 0.947 1.00 0.00 C ATOM 0 H PHE A 68 2.778 8.465 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 68 1.738 5.883 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.429 6.929 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.990 7.927 -0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.285 6.879 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.308 4.562 0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.596 5.001 0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.999 2.696 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.454 2.909 1.359 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.388 8.408 -2.705 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.697 8.808 -3.197 1.00 0.00 C ATOM 1046 C GLU A 69 -1.762 8.540 -4.685 1.00 0.00 C ATOM 1047 O GLU A 69 -2.743 7.997 -5.194 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.910 10.309 -2.977 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.011 10.651 -1.488 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.134 12.163 -1.328 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.450 12.879 -2.045 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.904 12.595 -0.501 1.00 0.00 O ATOM 0 H GLU A 69 0.177 9.172 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.462 8.245 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.085 10.864 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.820 10.627 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.875 10.155 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.130 10.288 -0.959 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.684 8.886 -5.374 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.606 8.694 -6.805 1.00 0.00 C ATOM 1061 C ASP A 70 -0.851 7.248 -7.139 1.00 0.00 C ATOM 1062 O ASP A 70 -1.712 6.929 -7.960 1.00 0.00 O ATOM 1063 CB ASP A 70 0.774 9.118 -7.327 1.00 0.00 C ATOM 1064 CG ASP A 70 0.889 8.831 -8.810 1.00 0.00 C ATOM 1065 OD1 ASP A 70 0.228 9.491 -9.575 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.647 7.953 -9.170 1.00 0.00 O ATOM 0 H ASP A 70 0.149 9.302 -4.958 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.368 9.311 -7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.929 10.181 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.555 8.584 -6.785 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.156 6.369 -6.444 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.344 4.946 -6.643 1.00 0.00 C ATOM 1073 C ALA A 71 -1.753 4.556 -6.261 1.00 0.00 C ATOM 1074 O ALA A 71 -2.407 3.787 -6.960 1.00 0.00 O ATOM 1075 CB ALA A 71 0.653 4.149 -5.797 1.00 0.00 C ATOM 0 H ALA A 71 0.540 6.614 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.175 4.719 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.497 3.082 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.670 4.415 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.503 4.381 -4.743 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.222 5.101 -5.149 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.548 4.779 -4.656 1.00 0.00 C ATOM 1083 C ALA A 72 -4.611 5.095 -5.690 1.00 0.00 C ATOM 1084 O ALA A 72 -5.453 4.253 -6.003 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.835 5.533 -3.363 1.00 0.00 C ATOM 0 H ALA A 72 -1.705 5.766 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.576 3.708 -4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.834 5.279 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.100 5.254 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.777 6.606 -3.547 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.556 6.293 -6.251 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.527 6.686 -7.268 1.00 0.00 C ATOM 1093 C PHE A 73 -5.360 5.777 -8.481 1.00 0.00 C ATOM 1094 O PHE A 73 -6.327 5.392 -9.139 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.300 8.137 -7.721 1.00 0.00 C ATOM 1096 CG PHE A 73 -5.388 9.091 -6.556 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -6.508 9.103 -5.719 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -4.331 9.973 -6.316 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -6.560 9.994 -4.645 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -4.388 10.855 -5.249 1.00 0.00 C ATOM 1101 CZ PHE A 73 -5.497 10.870 -4.412 1.00 0.00 C ATOM 0 H PHE A 73 -3.860 7.004 -6.025 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.526 6.601 -6.841 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.322 8.225 -8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.042 8.407 -8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.329 8.426 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.467 9.967 -6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.422 10.006 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.567 11.533 -5.067 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.537 11.559 -3.581 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.114 5.476 -8.779 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.738 4.649 -9.918 1.00 0.00 C ATOM 1113 C ARG A 74 -4.310 3.237 -9.823 1.00 0.00 C ATOM 1114 O ARG A 74 -4.569 2.607 -10.849 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.206 4.627 -10.050 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.743 5.980 -10.613 1.00 0.00 C ATOM 1117 CD ARG A 74 -0.228 6.153 -10.451 1.00 0.00 C ATOM 1118 NE ARG A 74 0.519 5.109 -11.138 1.00 0.00 N ATOM 1119 CZ ARG A 74 1.848 5.015 -11.013 1.00 0.00 C ATOM 1120 NH1 ARG A 74 2.504 5.911 -10.323 1.00 0.00 N ATOM 1121 NH2 ARG A 74 2.487 4.038 -11.577 1.00 0.00 N ATOM 0 H ARG A 74 -3.317 5.802 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.169 5.090 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.745 4.444 -9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.895 3.816 -10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.010 6.050 -11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.262 6.789 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.069 7.127 -10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.026 6.143 -9.391 1.00 0.00 H new ATOM 0 HE ARG A 74 0.021 4.439 -11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.003 6.681 -9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.517 5.840 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.977 3.339 -12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.500 3.968 -11.481 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.430 2.714 -8.615 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.865 1.318 -8.435 1.00 0.00 C ATOM 1137 C LEU A 75 -6.364 1.183 -8.335 1.00 0.00 C ATOM 1138 O LEU A 75 -6.841 0.121 -7.966 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.271 0.699 -7.181 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.753 0.675 -7.236 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.250 0.151 -5.898 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.286 -0.266 -8.355 1.00 0.00 C ATOM 0 H LEU A 75 -4.238 3.217 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.510 0.797 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.595 1.264 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.648 -0.317 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.366 1.675 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.160 0.121 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.590 0.809 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.639 -0.853 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.197 -0.278 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.655 -1.273 -8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.675 0.085 -9.311 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.100 2.257 -8.529 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.551 2.213 -8.350 1.00 0.00 C ATOM 1156 C GLN A 76 -9.166 0.946 -8.954 1.00 0.00 C ATOM 1157 O GLN A 76 -10.212 0.478 -8.502 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.203 3.474 -8.904 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.863 4.660 -7.983 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.713 4.617 -6.714 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -9.536 3.732 -5.870 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -10.628 5.519 -6.525 1.00 0.00 N ATOM 0 H GLN A 76 -6.730 3.166 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.749 2.176 -7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.847 3.669 -9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.283 3.343 -8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.806 4.632 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.035 5.598 -8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.775 6.250 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.200 5.496 -5.681 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.483 0.356 -9.925 1.00 0.00 N ATOM 1172 CA VAL A 77 -8.929 -0.895 -10.535 1.00 0.00 C ATOM 1173 C VAL A 77 -8.953 -2.057 -9.515 1.00 0.00 C ATOM 1174 O VAL A 77 -9.676 -3.039 -9.694 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.049 -1.241 -11.752 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.604 -1.491 -11.310 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -8.590 -2.495 -12.457 1.00 0.00 C ATOM 0 H VAL A 77 -7.613 0.724 -10.311 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.954 -0.752 -10.877 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.072 -0.399 -12.443 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.994 -1.734 -12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.210 -0.595 -10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.578 -2.322 -10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.960 -2.730 -13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.584 -3.334 -11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.610 -2.311 -12.795 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.121 -1.967 -8.476 1.00 0.00 N ATOM 1188 CA GLY A 78 -8.042 -3.015 -7.450 1.00 0.00 C ATOM 1189 C GLY A 78 -6.688 -3.711 -7.460 1.00 0.00 C ATOM 1190 O GLY A 78 -6.533 -4.791 -6.885 1.00 0.00 O ATOM 0 H GLY A 78 -7.491 -1.180 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.219 -2.577 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.830 -3.749 -7.618 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.749 -3.137 -8.187 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.455 -3.766 -8.435 1.00 0.00 C ATOM 1196 C GLU A 79 -3.434 -3.496 -7.327 1.00 0.00 C ATOM 1197 O GLU A 79 -3.671 -2.689 -6.417 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.907 -3.294 -9.789 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.372 -4.483 -10.592 1.00 0.00 C ATOM 1200 CD GLU A 79 -4.476 -5.480 -10.881 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -5.615 -5.074 -10.990 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -4.172 -6.642 -10.980 1.00 0.00 O ATOM 0 H GLU A 79 -5.856 -2.222 -8.625 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.617 -4.844 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.694 -2.791 -10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.112 -2.565 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.941 -4.130 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.571 -4.972 -10.037 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.271 -4.152 -7.459 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.124 -3.925 -6.589 1.00 0.00 C ATOM 1211 C VAL A 80 -0.205 -2.923 -7.289 1.00 0.00 C ATOM 1212 O VAL A 80 0.013 -3.033 -8.502 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.357 -5.246 -6.337 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.651 -5.053 -5.198 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.331 -6.377 -5.973 1.00 0.00 C ATOM 0 H VAL A 80 -2.107 -4.857 -8.178 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.458 -3.542 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 80 0.171 -5.518 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.188 -5.986 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.360 -4.271 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.122 -4.765 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.772 -7.297 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.878 -6.109 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.035 -6.529 -6.791 1.00 0.00 H new ATOM 1225 N SER A 81 0.219 -1.904 -6.571 1.00 0.00 N ATOM 1226 CA SER A 81 0.964 -0.808 -7.173 1.00 0.00 C ATOM 1227 C SER A 81 2.360 -1.216 -7.527 1.00 0.00 C ATOM 1228 O SER A 81 2.967 -2.049 -6.839 1.00 0.00 O ATOM 1229 CB SER A 81 1.054 0.367 -6.194 1.00 0.00 C ATOM 1230 OG SER A 81 1.549 -0.101 -4.935 1.00 0.00 O ATOM 0 H SER A 81 0.062 -1.808 -5.568 1.00 0.00 H new ATOM 0 HA SER A 81 0.431 -0.521 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.714 1.138 -6.593 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.073 0.823 -6.065 1.00 0.00 H new ATOM 0 HG SER A 81 1.908 0.654 -4.424 1.00 0.00 H new ATOM 1236 N GLU A 82 2.952 -0.435 -8.411 1.00 0.00 N ATOM 1237 CA GLU A 82 4.370 -0.500 -8.640 1.00 0.00 C ATOM 1238 C GLU A 82 5.050 -0.077 -7.356 1.00 0.00 C ATOM 1239 O GLU A 82 4.402 0.499 -6.476 1.00 0.00 O ATOM 1240 CB GLU A 82 4.765 0.472 -9.760 1.00 0.00 C ATOM 1241 CG GLU A 82 4.012 0.113 -11.044 1.00 0.00 C ATOM 1242 CD GLU A 82 3.496 1.371 -11.711 1.00 0.00 C ATOM 1243 OE1 GLU A 82 4.298 2.236 -12.001 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.307 1.461 -11.924 1.00 0.00 O ATOM 0 H GLU A 82 2.463 0.254 -8.982 1.00 0.00 H new ATOM 0 HA GLU A 82 4.664 -1.508 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.533 1.495 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.840 0.426 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.672 -0.425 -11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.181 -0.553 -10.814 1.00 0.00 H new ATOM 1251 N PRO A 83 6.324 -0.265 -7.252 1.00 0.00 N ATOM 1252 CA PRO A 83 7.048 0.209 -6.049 1.00 0.00 C ATOM 1253 C PRO A 83 6.847 1.713 -5.890 1.00 0.00 C ATOM 1254 O PRO A 83 6.968 2.465 -6.856 1.00 0.00 O ATOM 1255 CB PRO A 83 8.517 -0.108 -6.368 1.00 0.00 C ATOM 1256 CG PRO A 83 8.463 -1.252 -7.336 1.00 0.00 C ATOM 1257 CD PRO A 83 7.174 -1.071 -8.142 1.00 0.00 C ATOM 0 HA PRO A 83 6.708 -0.256 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.022 0.754 -6.803 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.068 -0.378 -5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.335 -1.249 -7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.462 -2.207 -6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.360 -0.563 -9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.711 -2.029 -8.380 1.00 0.00 H new ATOM 1265 N VAL A 84 6.584 2.146 -4.674 1.00 0.00 N ATOM 1266 CA VAL A 84 6.411 3.563 -4.380 1.00 0.00 C ATOM 1267 C VAL A 84 7.498 3.973 -3.414 1.00 0.00 C ATOM 1268 O VAL A 84 7.758 3.269 -2.461 1.00 0.00 O ATOM 1269 CB VAL A 84 5.022 3.789 -3.754 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.907 5.199 -3.154 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.933 3.592 -4.814 1.00 0.00 C ATOM 0 H VAL A 84 6.484 1.535 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 84 6.480 4.160 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 84 4.890 3.062 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.916 5.330 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.663 5.327 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.061 5.941 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.954 3.753 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.082 4.305 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.988 2.577 -5.208 1.00 0.00 H new ATOM 1281 N LYS A 85 8.197 5.048 -3.713 1.00 0.00 N ATOM 1282 CA LYS A 85 9.332 5.436 -2.897 1.00 0.00 C ATOM 1283 C LYS A 85 9.037 6.705 -2.126 1.00 0.00 C ATOM 1284 O LYS A 85 8.537 7.687 -2.690 1.00 0.00 O ATOM 1285 CB LYS A 85 10.566 5.616 -3.782 1.00 0.00 C ATOM 1286 CG LYS A 85 11.811 5.820 -2.919 1.00 0.00 C ATOM 1287 CD LYS A 85 13.028 5.866 -3.831 1.00 0.00 C ATOM 1288 CE LYS A 85 14.305 6.019 -3.009 1.00 0.00 C ATOM 1289 NZ LYS A 85 15.469 5.796 -3.894 1.00 0.00 N ATOM 0 H LYS A 85 8.004 5.663 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 85 9.527 4.646 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.696 4.741 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.428 6.473 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.729 6.746 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.909 5.009 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.079 4.954 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.936 6.698 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.352 7.014 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.313 5.303 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.336 6.109 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.544 4.784 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.346 6.339 -4.773 1.00 0.00 H new ATOM 1303 N SER A 86 9.329 6.675 -0.841 1.00 0.00 N ATOM 1304 CA SER A 86 9.086 7.808 0.033 1.00 0.00 C ATOM 1305 C SER A 86 10.191 7.913 1.063 1.00 0.00 C ATOM 1306 O SER A 86 11.157 7.133 1.039 1.00 0.00 O ATOM 1307 CB SER A 86 7.735 7.647 0.744 1.00 0.00 C ATOM 1308 OG SER A 86 7.908 6.894 1.944 1.00 0.00 O ATOM 0 H SER A 86 9.740 5.867 -0.373 1.00 0.00 H new ATOM 0 HA SER A 86 9.067 8.716 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.316 8.626 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.025 7.144 0.087 1.00 0.00 H new ATOM 0 HG SER A 86 7.689 5.954 1.775 1.00 0.00 H new ATOM 1314 N GLU A 87 10.003 8.792 2.021 1.00 0.00 N ATOM 1315 CA GLU A 87 10.918 8.901 3.137 1.00 0.00 C ATOM 1316 C GLU A 87 10.838 7.621 3.961 1.00 0.00 C ATOM 1317 O GLU A 87 11.824 7.170 4.540 1.00 0.00 O ATOM 1318 CB GLU A 87 10.589 10.130 4.020 1.00 0.00 C ATOM 1319 CG GLU A 87 9.136 10.604 3.802 1.00 0.00 C ATOM 1320 CD GLU A 87 8.983 11.287 2.459 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.535 12.341 2.286 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.303 10.743 1.619 1.00 0.00 O ATOM 0 H GLU A 87 9.221 9.446 2.050 1.00 0.00 H new ATOM 0 HA GLU A 87 11.929 9.038 2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.738 9.877 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.278 10.942 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.459 9.751 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.851 11.292 4.598 1.00 0.00 H new ATOM 1329 N PHE A 88 9.650 7.026 3.978 1.00 0.00 N ATOM 1330 CA PHE A 88 9.407 5.788 4.712 1.00 0.00 C ATOM 1331 C PHE A 88 10.226 4.658 4.142 1.00 0.00 C ATOM 1332 O PHE A 88 10.676 3.771 4.876 1.00 0.00 O ATOM 1333 CB PHE A 88 7.926 5.413 4.646 1.00 0.00 C ATOM 1334 CG PHE A 88 7.134 6.404 5.453 1.00 0.00 C ATOM 1335 CD1 PHE A 88 6.636 7.557 4.844 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.899 6.170 6.809 1.00 0.00 C ATOM 1337 CE1 PHE A 88 5.905 8.478 5.590 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.166 7.090 7.560 1.00 0.00 C ATOM 1339 CZ PHE A 88 5.669 8.246 6.949 1.00 0.00 C ATOM 0 H PHE A 88 8.832 7.386 3.486 1.00 0.00 H new ATOM 0 HA PHE A 88 9.697 5.953 5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.584 5.411 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.775 4.405 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.818 7.735 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.285 5.276 7.277 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.521 9.371 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.983 6.910 8.609 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.102 8.960 7.527 1.00 0.00 H new ATOM 1349 N GLY A 89 10.355 4.644 2.832 1.00 0.00 N ATOM 1350 CA GLY A 89 11.056 3.577 2.134 1.00 0.00 C ATOM 1351 C GLY A 89 10.347 3.281 0.834 1.00 0.00 C ATOM 1352 O GLY A 89 9.839 4.202 0.174 1.00 0.00 O ATOM 0 H GLY A 89 9.980 5.368 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.088 3.870 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.090 2.682 2.755 1.00 0.00 H new ATOM 1356 N TYR A 90 10.240 2.002 0.501 1.00 0.00 N ATOM 1357 CA TYR A 90 9.516 1.587 -0.683 1.00 0.00 C ATOM 1358 C TYR A 90 8.192 0.942 -0.282 1.00 0.00 C ATOM 1359 O TYR A 90 8.173 0.016 0.522 1.00 0.00 O ATOM 1360 CB TYR A 90 10.370 0.598 -1.493 1.00 0.00 C ATOM 1361 CG TYR A 90 11.545 1.328 -2.115 1.00 0.00 C ATOM 1362 CD1 TYR A 90 11.401 1.952 -3.360 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.769 1.390 -1.441 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.485 2.623 -3.940 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.857 2.061 -2.019 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.712 2.686 -3.264 1.00 0.00 C ATOM 1367 OH TYR A 90 14.785 3.353 -3.836 1.00 0.00 O ATOM 0 H TYR A 90 10.647 1.236 1.038 1.00 0.00 H new ATOM 0 HA TYR A 90 9.306 2.459 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.728 -0.203 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.765 0.133 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.452 1.916 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.877 0.921 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.376 3.091 -4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.806 2.096 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 90 15.594 3.183 -3.310 1.00 0.00 H new ATOM 1377 N HIS A 91 7.090 1.426 -0.847 1.00 0.00 N ATOM 1378 CA HIS A 91 5.768 0.885 -0.521 1.00 0.00 C ATOM 1379 C HIS A 91 5.240 0.023 -1.646 1.00 0.00 C ATOM 1380 O HIS A 91 5.332 0.397 -2.823 1.00 0.00 O ATOM 1381 CB HIS A 91 4.718 1.996 -0.284 1.00 0.00 C ATOM 1382 CG HIS A 91 5.238 3.117 0.566 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.549 3.553 1.685 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.326 3.941 0.449 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.224 4.595 2.194 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.312 4.873 1.475 1.00 0.00 N ATOM 0 H HIS A 91 7.082 2.186 -1.528 1.00 0.00 H new ATOM 0 HA HIS A 91 5.909 0.305 0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.395 2.395 -1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.839 1.563 0.193 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.686 3.155 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.078 3.875 -0.323 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.923 5.141 3.076 1.00 0.00 H new ATOM 1394 N VAL A 92 4.486 -0.991 -1.268 1.00 0.00 N ATOM 1395 CA VAL A 92 3.677 -1.753 -2.197 1.00 0.00 C ATOM 1396 C VAL A 92 2.232 -1.557 -1.768 1.00 0.00 C ATOM 1397 O VAL A 92 1.922 -1.720 -0.579 1.00 0.00 O ATOM 1398 CB VAL A 92 4.049 -3.248 -2.105 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.076 -4.099 -2.929 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.471 -3.458 -2.615 1.00 0.00 C ATOM 0 H VAL A 92 4.418 -1.311 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 92 3.835 -1.425 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 92 3.986 -3.557 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.356 -5.150 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.063 -3.964 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.116 -3.789 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.729 -4.515 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.537 -3.133 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.165 -2.876 -2.008 1.00 0.00 H new ATOM 1410 N ILE A 93 1.378 -1.138 -2.681 1.00 0.00 N ATOM 1411 CA ILE A 93 0.003 -0.859 -2.333 1.00 0.00 C ATOM 1412 C ILE A 93 -0.932 -1.814 -3.044 1.00 0.00 C ATOM 1413 O ILE A 93 -0.974 -1.855 -4.267 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.368 0.590 -2.704 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.521 1.570 -1.938 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.833 0.860 -2.331 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.281 2.987 -2.465 1.00 0.00 C ATOM 0 H ILE A 93 1.612 -0.985 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.102 -0.991 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.225 0.724 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.299 1.523 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.570 1.298 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.092 1.885 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.480 0.171 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.968 0.716 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.913 3.689 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.524 3.026 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.766 3.256 -2.323 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.780 -2.451 -2.286 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.860 -3.226 -2.847 1.00 0.00 C ATOM 1431 C LYS A 94 -4.142 -2.464 -2.634 1.00 0.00 C ATOM 1432 O LYS A 94 -4.446 -2.068 -1.507 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.955 -4.606 -2.172 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.235 -5.339 -2.634 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.145 -5.686 -4.124 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.363 -6.532 -4.523 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.568 -5.664 -4.622 1.00 0.00 N ATOM 0 H LYS A 94 -1.746 -2.450 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.680 -3.387 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.076 -5.202 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.965 -4.489 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.371 -6.249 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.107 -4.711 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.110 -4.774 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.225 -6.234 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.179 -7.024 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.529 -7.318 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.412 -6.209 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.463 -4.850 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.672 -5.325 -5.600 1.00 0.00 H new ATOM 1451 N ARG A 95 -4.914 -2.273 -3.682 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.169 -1.588 -3.500 1.00 0.00 C ATOM 1453 C ARG A 95 -7.171 -2.538 -2.899 1.00 0.00 C ATOM 1454 O ARG A 95 -7.187 -3.740 -3.225 1.00 0.00 O ATOM 1455 CB ARG A 95 -6.707 -0.984 -4.796 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.993 -0.197 -4.473 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.557 0.450 -5.730 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.660 1.357 -5.392 1.00 0.00 N ATOM 1459 CZ ARG A 95 -10.930 0.950 -5.282 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.243 -0.299 -5.506 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.857 1.806 -4.954 1.00 0.00 N ATOM 0 H ARG A 95 -4.704 -2.571 -4.635 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.996 -0.752 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.963 -0.326 -5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.916 -1.770 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.735 -0.866 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.779 0.569 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.771 1.001 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.909 -0.321 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.449 2.342 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.518 -0.968 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.212 -0.605 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.613 2.781 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.826 1.500 -4.869 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.938 -2.019 -1.972 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.895 -2.790 -1.217 1.00 0.00 C ATOM 1477 C LEU A 96 -10.296 -2.392 -1.632 1.00 0.00 C ATOM 1478 O LEU A 96 -10.591 -1.214 -1.785 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.672 -2.509 0.279 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.720 -3.220 1.137 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.511 -4.735 1.069 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.577 -2.750 2.590 1.00 0.00 C ATOM 0 H LEU A 96 -7.914 -1.032 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.768 -3.856 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.675 -2.840 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.717 -1.435 0.461 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.716 -2.982 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.261 -5.234 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.606 -5.069 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.516 -4.982 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.320 -3.252 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.578 -2.992 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.730 -1.672 2.640 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.136 -3.371 -1.873 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.497 -3.105 -2.300 1.00 0.00 C ATOM 1496 C GLY A 97 -13.453 -3.144 -1.117 1.00 0.00 C ATOM 1497 O GLY A 97 -14.618 -2.899 -1.315 1.00 0.00 O ATOM 1498 OXT GLY A 97 -13.004 -3.416 -0.034 1.00 0.00 O ATOM 0 H GLY A 97 -10.905 -4.360 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.547 -2.128 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.800 -3.843 -3.043 1.00 0.00 H new