USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 33 ASN : amide:sc= -1.6 X(o=-3.4,f=-3.3) USER MOD Set 1.2: A 110 CYS SG : rot -175:sc= -1.77 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -136:sc= 1.45 (180deg=-0.0905) USER MOD Set 2.2: A 67 TYR OH : rot 15:sc= 0.377 USER MOD Set 2.3: A 103 CYS SG : rot 94:sc= -0.384 USER MOD Set 2.4: A 104 GLN : amide:sc= -2.03 K(o=-0.58,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -50:sc= 0.532 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= -0.0797 (180deg=-0.439) USER MOD Single : A 27 GLN : amide:sc= -0.0455 X(o=-0.045,f=-0.1) USER MOD Single : A 32 MET CE :methyl -138:sc= -0.394 (180deg=-1.88!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -85:sc= 0.763 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -10.7! C(o=-11!,f=-18!) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.549 (180deg=-0.482) USER MOD Single : A 51 SER OG : rot -150:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= -0.933 (180deg=-2.42) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 59 THR OG1 : rot -34:sc= 0.011 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.226 K(o=-0.23,f=-5.2!) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.14) USER MOD Single : A 71 SER OG : rot 37:sc= -0.201 USER MOD Single : A 74 ASN : amide:sc= -0.832 K(o=-0.83,f=-5.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 93 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.492 USER MOD Single : A 96 SER OG : rot 180:sc= -1.31 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -128:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 1.490 2.360 -15.384 1.00 0.00 N ATOM 172 CA LYS A 13 2.293 2.218 -14.201 1.00 0.00 C ATOM 173 C LYS A 13 1.480 1.778 -12.984 1.00 0.00 C ATOM 174 O LYS A 13 2.048 1.697 -11.904 1.00 0.00 O ATOM 175 CB LYS A 13 3.084 3.476 -13.940 1.00 0.00 C ATOM 176 CG LYS A 13 4.179 3.722 -14.950 1.00 0.00 C ATOM 177 CD LYS A 13 5.140 2.554 -15.043 1.00 0.00 C ATOM 178 CE LYS A 13 6.515 2.910 -15.606 1.00 0.00 C ATOM 179 NZ LYS A 13 6.529 3.021 -17.058 1.00 0.00 N ATOM 0 HA LYS A 13 3.002 1.411 -14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.405 4.328 -13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.525 3.418 -12.945 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.735 3.905 -15.929 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.729 4.623 -14.676 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.268 2.125 -14.049 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.694 1.781 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.845 3.854 -15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.234 2.150 -15.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.488 3.264 -17.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.243 2.114 -17.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.866 3.765 -17.356 1.00 0.00 H new ATOM 193 N TRP A 14 0.192 1.391 -13.169 1.00 0.00 N ATOM 194 CA TRP A 14 -0.536 1.009 -11.965 1.00 0.00 C ATOM 195 C TRP A 14 -0.204 -0.472 -11.700 1.00 0.00 C ATOM 196 O TRP A 14 0.204 -0.822 -10.599 1.00 0.00 O ATOM 197 CB TRP A 14 -2.054 1.329 -12.051 1.00 0.00 C ATOM 198 CG TRP A 14 -2.998 0.326 -12.719 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.756 0.590 -13.860 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.403 -0.993 -12.269 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.580 -0.466 -14.115 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.393 -1.474 -13.163 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.995 -1.782 -11.227 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.954 -2.717 -12.935 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.541 -3.041 -11.036 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.511 -3.506 -11.897 1.00 0.00 C ATOM 0 H TRP A 14 -0.312 1.341 -14.054 1.00 0.00 H new ATOM 0 HA TRP A 14 -0.219 1.605 -11.109 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.413 1.488 -11.034 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -2.159 2.277 -12.578 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.699 1.492 -14.451 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.240 -0.514 -14.891 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.239 -1.419 -10.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.747 -3.072 -13.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.207 -3.657 -10.214 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.926 -4.493 -11.757 1.00 0.00 H new ATOM 217 N PHE A 15 -0.356 -1.305 -12.763 1.00 0.00 N ATOM 218 CA PHE A 15 -0.031 -2.723 -12.631 1.00 0.00 C ATOM 219 C PHE A 15 1.458 -2.959 -12.970 1.00 0.00 C ATOM 220 O PHE A 15 1.794 -3.380 -14.068 1.00 0.00 O ATOM 221 CB PHE A 15 -0.949 -3.596 -13.517 1.00 0.00 C ATOM 222 CG PHE A 15 -0.824 -5.068 -13.198 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.941 -5.525 -11.883 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.580 -5.982 -14.224 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.818 -6.887 -11.618 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.455 -7.336 -13.951 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.577 -7.785 -12.647 1.00 0.00 C ATOM 0 H PHE A 15 -0.690 -1.020 -13.683 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.204 -3.020 -11.596 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.985 -3.284 -13.381 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.701 -3.432 -14.566 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.125 -4.828 -11.079 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.488 -5.631 -15.241 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.911 -7.246 -10.604 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.264 -8.036 -14.751 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.484 -8.839 -12.430 1.00 0.00 H new ATOM 237 N PHE A 16 2.323 -2.718 -11.963 1.00 0.00 N ATOM 238 CA PHE A 16 3.770 -2.912 -12.154 1.00 0.00 C ATOM 239 C PHE A 16 4.154 -4.283 -11.574 1.00 0.00 C ATOM 240 O PHE A 16 3.427 -4.868 -10.783 1.00 0.00 O ATOM 241 CB PHE A 16 4.560 -1.747 -11.478 1.00 0.00 C ATOM 242 CG PHE A 16 5.648 -1.161 -12.353 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.374 -0.785 -13.667 1.00 0.00 C ATOM 244 CD2 PHE A 16 6.947 -1.003 -11.868 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.379 -0.304 -14.492 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.958 -0.533 -12.708 1.00 0.00 C ATOM 247 CZ PHE A 16 7.669 -0.161 -14.015 1.00 0.00 C ATOM 0 H PHE A 16 2.052 -2.397 -11.034 1.00 0.00 H new ATOM 0 HA PHE A 16 4.026 -2.896 -13.213 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.861 -0.957 -11.204 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.007 -2.112 -10.553 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.367 -0.869 -14.047 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.171 -1.245 -10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.153 -0.039 -15.514 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.971 -0.458 -12.340 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.445 0.236 -14.653 1.00 0.00 H new ATOM 257 N ARG A 17 5.367 -4.729 -11.958 1.00 0.00 N ATOM 258 CA ARG A 17 5.873 -6.030 -11.497 1.00 0.00 C ATOM 259 C ARG A 17 6.444 -5.902 -10.072 1.00 0.00 C ATOM 260 O ARG A 17 5.938 -5.128 -9.274 1.00 0.00 O ATOM 261 CB ARG A 17 6.890 -6.585 -12.521 1.00 0.00 C ATOM 262 CG ARG A 17 6.228 -7.438 -13.601 1.00 0.00 C ATOM 263 CD ARG A 17 7.270 -8.159 -14.468 1.00 0.00 C ATOM 264 NE ARG A 17 6.753 -9.431 -14.977 1.00 0.00 N ATOM 265 CZ ARG A 17 6.736 -10.547 -14.215 1.00 0.00 C ATOM 266 NH1 ARG A 17 7.166 -10.518 -12.958 1.00 0.00 N ATOM 267 NH2 ARG A 17 6.284 -11.688 -14.718 1.00 0.00 N ATOM 0 H ARG A 17 6.000 -4.218 -12.573 1.00 0.00 H new ATOM 0 HA ARG A 17 5.060 -6.754 -11.437 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.417 -5.755 -12.991 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.637 -7.182 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.571 -8.172 -13.134 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.603 -6.806 -14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.555 -7.520 -15.304 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.171 -8.339 -13.882 1.00 0.00 H new ATOM 0 HE ARG A 17 6.396 -9.476 -15.932 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.514 -9.647 -12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.148 -11.367 -12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.949 -11.724 -15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.272 -12.530 -14.142 1.00 0.00 H new ATOM 281 N THR A 18 7.439 -6.740 -9.740 1.00 0.00 N ATOM 282 CA THR A 18 8.037 -6.666 -8.422 1.00 0.00 C ATOM 283 C THR A 18 9.279 -5.784 -8.480 1.00 0.00 C ATOM 284 O THR A 18 10.414 -6.244 -8.454 1.00 0.00 O ATOM 285 CB THR A 18 8.478 -8.043 -7.848 1.00 0.00 C ATOM 286 OG1 THR A 18 9.530 -8.098 -6.815 1.00 0.00 O ATOM 287 CG2 THR A 18 8.650 -9.086 -8.971 1.00 0.00 C ATOM 0 H THR A 18 7.829 -7.454 -10.355 1.00 0.00 H new ATOM 0 HA THR A 18 7.263 -6.262 -7.769 1.00 0.00 H new ATOM 0 HB THR A 18 7.627 -8.313 -7.223 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.304 -7.572 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.959 -10.038 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.703 -9.215 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.410 -8.743 -9.673 1.00 0.00 H new ATOM 295 N ILE A 19 8.974 -4.482 -8.617 1.00 0.00 N ATOM 296 CA ILE A 19 10.042 -3.489 -8.597 1.00 0.00 C ATOM 297 C ILE A 19 10.530 -3.403 -7.150 1.00 0.00 C ATOM 298 O ILE A 19 9.842 -3.820 -6.224 1.00 0.00 O ATOM 299 CB ILE A 19 9.526 -2.108 -9.048 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.619 -1.205 -9.608 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.677 -1.362 -8.018 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.062 0.187 -9.948 1.00 0.00 C ATOM 0 H ILE A 19 8.032 -4.110 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 19 10.841 -3.778 -9.280 1.00 0.00 H new ATOM 0 HB ILE A 19 8.849 -2.360 -9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.426 -1.110 -8.881 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.047 -1.658 -10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.363 -0.403 -8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.797 -1.957 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.265 -1.194 -7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.862 0.812 -10.346 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.272 0.091 -10.693 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.657 0.647 -9.047 1.00 0.00 H new ATOM 314 N SER A 20 11.747 -2.847 -7.005 1.00 0.00 N ATOM 315 CA SER A 20 12.248 -2.685 -5.649 1.00 0.00 C ATOM 316 C SER A 20 11.301 -1.721 -4.910 1.00 0.00 C ATOM 317 O SER A 20 10.675 -0.843 -5.487 1.00 0.00 O ATOM 318 CB SER A 20 13.682 -2.130 -5.685 1.00 0.00 C ATOM 319 OG SER A 20 14.327 -2.496 -4.374 1.00 0.00 O ATOM 0 H SER A 20 12.357 -2.526 -7.757 1.00 0.00 H new ATOM 0 HA SER A 20 12.277 -3.642 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.239 -2.554 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.674 -1.049 -5.823 1.00 0.00 H new ATOM 0 HG SER A 20 15.248 -2.160 -4.357 1.00 0.00 H new ATOM 325 N ARG A 21 11.284 -1.908 -3.595 1.00 0.00 N ATOM 326 CA ARG A 21 10.407 -1.091 -2.752 1.00 0.00 C ATOM 327 C ARG A 21 10.768 0.393 -2.889 1.00 0.00 C ATOM 328 O ARG A 21 9.941 1.244 -3.190 1.00 0.00 O ATOM 329 CB ARG A 21 10.448 -1.567 -1.303 1.00 0.00 C ATOM 330 CG ARG A 21 9.322 -0.925 -0.483 1.00 0.00 C ATOM 331 CD ARG A 21 8.995 -1.724 0.783 1.00 0.00 C ATOM 332 NE ARG A 21 10.027 -1.532 1.796 1.00 0.00 N ATOM 333 CZ ARG A 21 10.099 -0.405 2.536 1.00 0.00 C ATOM 334 NH1 ARG A 21 9.226 0.578 2.371 1.00 0.00 N ATOM 335 NH2 ARG A 21 11.055 -0.268 3.443 1.00 0.00 N ATOM 0 H ARG A 21 11.848 -2.596 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 21 9.378 -1.208 -3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.354 -2.652 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.413 -1.317 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.611 0.089 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.427 -0.844 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.029 -1.410 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.911 -2.783 0.539 1.00 0.00 H new ATOM 0 HE ARG A 21 10.714 -2.270 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.484 0.490 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.295 1.422 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.737 -1.014 3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.109 0.583 4.002 1.00 0.00 H new ATOM 349 N LYS A 22 12.075 0.624 -2.666 1.00 0.00 N ATOM 350 CA LYS A 22 12.632 1.960 -2.810 1.00 0.00 C ATOM 351 C LYS A 22 12.478 2.518 -4.221 1.00 0.00 C ATOM 352 O LYS A 22 12.562 3.719 -4.419 1.00 0.00 O ATOM 353 CB LYS A 22 14.086 2.038 -2.341 1.00 0.00 C ATOM 354 CG LYS A 22 14.974 0.941 -2.900 1.00 0.00 C ATOM 355 CD LYS A 22 15.478 1.202 -4.303 1.00 0.00 C ATOM 356 CE LYS A 22 16.936 1.644 -4.364 1.00 0.00 C ATOM 357 NZ LYS A 22 17.872 0.661 -3.815 1.00 0.00 N ATOM 0 H LYS A 22 12.747 -0.092 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 22 12.041 2.596 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.498 3.006 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.109 1.991 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.830 0.810 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.419 0.003 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.358 0.295 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.856 1.969 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.202 1.846 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.046 2.581 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.810 0.797 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.941 0.785 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.531 -0.299 -4.026 1.00 0.00 H new ATOM 371 N ASP A 23 12.217 1.590 -5.179 1.00 0.00 N ATOM 372 CA ASP A 23 12.121 1.984 -6.560 1.00 0.00 C ATOM 373 C ASP A 23 10.786 2.655 -6.854 1.00 0.00 C ATOM 374 O ASP A 23 10.706 3.804 -7.241 1.00 0.00 O ATOM 375 CB ASP A 23 12.377 0.850 -7.583 1.00 0.00 C ATOM 376 CG ASP A 23 13.879 0.574 -7.792 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.716 1.351 -7.330 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.198 -0.425 -8.428 1.00 0.00 O ATOM 0 H ASP A 23 12.077 0.595 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 23 12.934 2.697 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.887 -0.062 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.923 1.116 -8.538 1.00 0.00 H new ATOM 383 N ALA A 24 9.735 1.867 -6.636 1.00 0.00 N ATOM 384 CA ALA A 24 8.377 2.369 -6.838 1.00 0.00 C ATOM 385 C ALA A 24 8.188 3.721 -6.113 1.00 0.00 C ATOM 386 O ALA A 24 7.566 4.634 -6.635 1.00 0.00 O ATOM 387 CB ALA A 24 7.432 1.293 -6.333 1.00 0.00 C ATOM 0 H ALA A 24 9.794 0.897 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 24 8.171 2.567 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.401 1.623 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.593 0.374 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.623 1.108 -5.276 1.00 0.00 H new ATOM 393 N GLU A 25 8.779 3.782 -4.899 1.00 0.00 N ATOM 394 CA GLU A 25 8.754 4.982 -4.090 1.00 0.00 C ATOM 395 C GLU A 25 9.552 6.113 -4.752 1.00 0.00 C ATOM 396 O GLU A 25 9.124 7.246 -4.703 1.00 0.00 O ATOM 397 CB GLU A 25 9.311 4.740 -2.693 1.00 0.00 C ATOM 398 CG GLU A 25 8.395 3.894 -1.812 1.00 0.00 C ATOM 399 CD GLU A 25 8.976 3.868 -0.390 1.00 0.00 C ATOM 400 OE1 GLU A 25 8.689 4.790 0.377 1.00 0.00 O ATOM 401 OE2 GLU A 25 9.708 2.933 -0.060 1.00 0.00 O ATOM 0 H GLU A 25 9.277 3.001 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 25 7.707 5.273 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.279 4.246 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.484 5.701 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.388 4.311 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.317 2.882 -2.208 1.00 0.00 H new ATOM 408 N ARG A 26 10.697 5.780 -5.398 1.00 0.00 N ATOM 409 CA ARG A 26 11.538 6.805 -6.034 1.00 0.00 C ATOM 410 C ARG A 26 10.780 7.524 -7.159 1.00 0.00 C ATOM 411 O ARG A 26 10.933 8.718 -7.392 1.00 0.00 O ATOM 412 CB ARG A 26 12.836 6.155 -6.598 1.00 0.00 C ATOM 413 CG ARG A 26 12.801 5.636 -8.058 1.00 0.00 C ATOM 414 CD ARG A 26 13.687 4.415 -8.357 1.00 0.00 C ATOM 415 NE ARG A 26 14.577 4.723 -9.477 1.00 0.00 N ATOM 416 CZ ARG A 26 14.160 4.627 -10.754 1.00 0.00 C ATOM 417 NH1 ARG A 26 12.927 4.229 -11.021 1.00 0.00 N ATOM 418 NH2 ARG A 26 14.975 4.938 -11.752 1.00 0.00 N ATOM 0 H ARG A 26 11.048 4.826 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 26 11.803 7.543 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.640 6.887 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.102 5.320 -5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.771 5.384 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.100 6.449 -8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.271 4.151 -7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.067 3.552 -8.598 1.00 0.00 H new ATOM 0 HE ARG A 26 15.535 5.017 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.291 3.994 -10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.613 4.157 -11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.925 5.253 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.652 4.863 -12.717 1.00 0.00 H new ATOM 432 N GLN A 27 9.927 6.699 -7.797 1.00 0.00 N ATOM 433 CA GLN A 27 9.134 7.182 -8.920 1.00 0.00 C ATOM 434 C GLN A 27 7.970 8.030 -8.438 1.00 0.00 C ATOM 435 O GLN A 27 7.788 9.149 -8.885 1.00 0.00 O ATOM 436 CB GLN A 27 8.593 6.034 -9.780 1.00 0.00 C ATOM 437 CG GLN A 27 9.666 5.021 -10.176 1.00 0.00 C ATOM 438 CD GLN A 27 9.076 3.942 -11.092 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.006 3.397 -10.850 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.834 3.688 -12.169 1.00 0.00 N ATOM 0 H GLN A 27 9.778 5.720 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 27 9.802 7.788 -9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.802 5.521 -9.233 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.141 6.446 -10.682 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.485 5.530 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.085 4.558 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.715 4.184 -12.301 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.529 2.998 -12.856 1.00 0.00 H new ATOM 449 N LEU A 28 7.182 7.448 -7.511 1.00 0.00 N ATOM 450 CA LEU A 28 6.049 8.195 -6.990 1.00 0.00 C ATOM 451 C LEU A 28 6.529 9.489 -6.309 1.00 0.00 C ATOM 452 O LEU A 28 5.905 10.516 -6.456 1.00 0.00 O ATOM 453 CB LEU A 28 5.221 7.298 -6.060 1.00 0.00 C ATOM 454 CG LEU A 28 4.864 5.968 -6.741 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.835 4.848 -5.716 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.515 6.090 -7.443 1.00 0.00 C ATOM 0 H LEU A 28 7.308 6.510 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 28 5.396 8.500 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.782 7.102 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.308 7.817 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 28 5.624 5.732 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.581 3.910 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.815 4.758 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.088 5.071 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.268 5.143 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.745 6.337 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.566 6.877 -8.196 1.00 0.00 H new ATOM 468 N LEU A 29 7.676 9.414 -5.595 1.00 0.00 N ATOM 469 CA LEU A 29 8.224 10.597 -4.921 1.00 0.00 C ATOM 470 C LEU A 29 8.792 11.632 -5.913 1.00 0.00 C ATOM 471 O LEU A 29 9.201 12.712 -5.506 1.00 0.00 O ATOM 472 CB LEU A 29 9.371 10.145 -4.003 1.00 0.00 C ATOM 473 CG LEU A 29 8.867 9.454 -2.729 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.922 8.496 -2.166 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.461 10.497 -1.672 1.00 0.00 C ATOM 0 H LEU A 29 8.225 8.562 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 29 7.411 11.067 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.022 9.462 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.975 11.010 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 29 7.987 8.867 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.537 8.021 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.153 7.732 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.827 9.053 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.106 9.988 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.323 11.115 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.666 11.128 -2.070 1.00 0.00 H new ATOM 487 N ALA A 30 8.803 11.262 -7.211 1.00 0.00 N ATOM 488 CA ALA A 30 9.254 12.163 -8.263 1.00 0.00 C ATOM 489 C ALA A 30 8.273 13.337 -8.374 1.00 0.00 C ATOM 490 O ALA A 30 7.095 13.203 -8.062 1.00 0.00 O ATOM 491 CB ALA A 30 9.438 11.468 -9.620 1.00 0.00 C ATOM 0 H ALA A 30 8.503 10.345 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 30 10.243 12.528 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.775 12.195 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.181 10.676 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.489 11.039 -9.941 1.00 0.00 H new ATOM 497 N PRO A 31 8.802 14.507 -8.825 1.00 0.00 N ATOM 498 CA PRO A 31 7.962 15.680 -8.978 1.00 0.00 C ATOM 499 C PRO A 31 6.881 15.551 -10.059 1.00 0.00 C ATOM 500 O PRO A 31 5.830 16.170 -9.984 1.00 0.00 O ATOM 501 CB PRO A 31 8.947 16.784 -9.417 1.00 0.00 C ATOM 502 CG PRO A 31 10.339 16.166 -9.536 1.00 0.00 C ATOM 503 CD PRO A 31 10.211 14.729 -9.093 1.00 0.00 C ATOM 0 HA PRO A 31 7.423 15.866 -8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.638 17.211 -10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.954 17.597 -8.691 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.703 16.224 -10.562 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.055 16.701 -8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.571 14.051 -9.867 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.810 14.543 -8.202 1.00 0.00 H new ATOM 511 N MET A 32 7.170 14.659 -11.015 1.00 0.00 N ATOM 512 CA MET A 32 6.229 14.371 -12.072 1.00 0.00 C ATOM 513 C MET A 32 5.055 13.519 -11.592 1.00 0.00 C ATOM 514 O MET A 32 3.947 13.606 -12.116 1.00 0.00 O ATOM 515 CB MET A 32 7.014 13.617 -13.157 1.00 0.00 C ATOM 516 CG MET A 32 7.666 14.536 -14.192 1.00 0.00 C ATOM 517 SD MET A 32 8.945 13.713 -15.142 1.00 0.00 S ATOM 518 CE MET A 32 10.062 13.370 -13.778 1.00 0.00 C ATOM 0 H MET A 32 8.044 14.135 -11.067 1.00 0.00 H new ATOM 0 HA MET A 32 5.798 15.300 -12.444 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.787 13.014 -12.681 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.341 12.928 -13.668 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.901 14.912 -14.871 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.095 15.400 -13.685 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.088 13.570 -14.088 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.808 14.007 -12.931 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.969 12.324 -13.486 1.00 0.00 H new ATOM 528 N ASN A 33 5.388 12.689 -10.589 1.00 0.00 N ATOM 529 CA ASN A 33 4.392 11.780 -10.019 1.00 0.00 C ATOM 530 C ASN A 33 3.832 12.306 -8.661 1.00 0.00 C ATOM 531 O ASN A 33 4.393 12.058 -7.610 1.00 0.00 O ATOM 532 CB ASN A 33 5.044 10.363 -9.999 1.00 0.00 C ATOM 533 CG ASN A 33 5.785 10.017 -11.296 1.00 0.00 C ATOM 534 OD1 ASN A 33 6.854 9.431 -11.339 1.00 0.00 O ATOM 535 ND2 ASN A 33 5.058 10.347 -12.361 1.00 0.00 N ATOM 0 H ASN A 33 6.315 12.631 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 33 3.487 11.719 -10.623 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.742 10.304 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.269 9.617 -9.821 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.387 10.109 -13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.172 10.838 -12.241 1.00 0.00 H new ATOM 542 N LYS A 34 2.708 13.050 -8.709 1.00 0.00 N ATOM 543 CA LYS A 34 2.092 13.538 -7.462 1.00 0.00 C ATOM 544 C LYS A 34 0.953 12.597 -7.024 1.00 0.00 C ATOM 545 O LYS A 34 0.568 11.714 -7.778 1.00 0.00 O ATOM 546 CB LYS A 34 1.620 14.969 -7.649 1.00 0.00 C ATOM 547 CG LYS A 34 0.486 15.088 -8.668 1.00 0.00 C ATOM 548 CD LYS A 34 -0.836 15.058 -7.899 1.00 0.00 C ATOM 549 CE LYS A 34 -1.844 16.114 -8.328 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.216 15.806 -7.937 1.00 0.00 N ATOM 0 H LYS A 34 2.224 13.318 -9.566 1.00 0.00 H new ATOM 0 HA LYS A 34 2.831 13.537 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.285 15.365 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.459 15.585 -7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.577 16.014 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.529 14.269 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.288 14.073 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.626 15.185 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.559 17.073 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.801 16.227 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.848 16.566 -8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.507 14.906 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.272 15.726 -6.902 1.00 0.00 H new ATOM 564 N ALA A 35 0.390 12.885 -5.816 1.00 0.00 N ATOM 565 CA ALA A 35 -0.697 12.113 -5.203 1.00 0.00 C ATOM 566 C ALA A 35 -1.678 11.516 -6.250 1.00 0.00 C ATOM 567 O ALA A 35 -2.420 12.253 -6.888 1.00 0.00 O ATOM 568 CB ALA A 35 -1.451 12.996 -4.189 1.00 0.00 C ATOM 0 H ALA A 35 0.693 13.673 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.246 11.265 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.258 12.421 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.762 13.329 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.867 13.863 -4.701 1.00 0.00 H new ATOM 574 N GLY A 36 -1.662 10.161 -6.365 1.00 0.00 N ATOM 575 CA GLY A 36 -2.505 9.473 -7.342 1.00 0.00 C ATOM 576 C GLY A 36 -1.703 8.519 -8.230 1.00 0.00 C ATOM 577 O GLY A 36 -2.221 7.527 -8.722 1.00 0.00 O ATOM 0 H GLY A 36 -1.080 9.545 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.281 8.914 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.009 10.210 -7.967 1.00 0.00 H new ATOM 581 N SER A 37 -0.408 8.873 -8.388 1.00 0.00 N ATOM 582 CA SER A 37 0.529 7.969 -9.050 1.00 0.00 C ATOM 583 C SER A 37 0.626 6.769 -8.080 1.00 0.00 C ATOM 584 O SER A 37 0.809 6.938 -6.871 1.00 0.00 O ATOM 585 CB SER A 37 1.895 8.656 -9.236 1.00 0.00 C ATOM 586 OG SER A 37 2.096 9.395 -7.936 1.00 0.00 O ATOM 0 H SER A 37 -0.006 9.756 -8.072 1.00 0.00 H new ATOM 0 HA SER A 37 0.209 7.669 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.689 7.930 -9.412 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.890 9.336 -10.088 1.00 0.00 H new ATOM 0 HG SER A 37 1.655 10.269 -7.985 1.00 0.00 H new ATOM 592 N PHE A 38 0.480 5.555 -8.671 1.00 0.00 N ATOM 593 CA PHE A 38 0.510 4.340 -7.852 1.00 0.00 C ATOM 594 C PHE A 38 1.422 3.293 -8.556 1.00 0.00 C ATOM 595 O PHE A 38 1.743 3.375 -9.729 1.00 0.00 O ATOM 596 CB PHE A 38 -0.907 3.693 -7.750 1.00 0.00 C ATOM 597 CG PHE A 38 -1.899 4.139 -6.701 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.115 5.462 -6.385 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.679 3.193 -6.046 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.083 5.849 -5.477 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.626 3.560 -5.098 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.829 4.897 -4.811 1.00 0.00 C ATOM 0 H PHE A 38 0.346 5.404 -9.671 1.00 0.00 H new ATOM 0 HA PHE A 38 0.869 4.611 -6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.388 3.826 -8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.758 2.622 -7.612 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.510 6.220 -6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.546 2.147 -6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.256 6.898 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.202 2.803 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.562 5.193 -4.075 1.00 0.00 H new ATOM 612 N LEU A 39 1.746 2.281 -7.729 1.00 0.00 N ATOM 613 CA LEU A 39 2.583 1.130 -8.029 1.00 0.00 C ATOM 614 C LEU A 39 2.090 -0.031 -7.241 1.00 0.00 C ATOM 615 O LEU A 39 2.178 0.009 -6.039 1.00 0.00 O ATOM 616 CB LEU A 39 4.075 1.363 -7.642 1.00 0.00 C ATOM 617 CG LEU A 39 4.923 2.020 -8.725 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.829 1.007 -9.845 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.569 3.421 -9.239 1.00 0.00 C ATOM 0 H LEU A 39 1.400 2.255 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 39 2.528 0.955 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.110 1.984 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.522 0.403 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 39 5.905 2.236 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.403 1.358 -10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.230 0.052 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.786 0.880 -10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.285 3.719 -10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.566 3.410 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.605 4.131 -8.413 1.00 0.00 H new ATOM 631 N ILE A 40 1.594 -1.068 -7.971 1.00 0.00 N ATOM 632 CA ILE A 40 1.082 -2.199 -7.209 1.00 0.00 C ATOM 633 C ILE A 40 2.191 -3.241 -7.471 1.00 0.00 C ATOM 634 O ILE A 40 2.144 -4.011 -8.417 1.00 0.00 O ATOM 635 CB ILE A 40 -0.390 -2.545 -7.667 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.302 -3.102 -6.552 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.450 -3.649 -8.686 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.728 -2.500 -6.617 1.00 0.00 C ATOM 0 H ILE A 40 1.545 -1.132 -8.988 1.00 0.00 H new ATOM 0 HA ILE A 40 0.931 -2.071 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.723 -1.575 -8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.362 -4.187 -6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.860 -2.885 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.489 -3.837 -8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.110 -3.355 -9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.015 -4.556 -8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.337 -2.919 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.672 -1.418 -6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.181 -2.740 -7.579 1.00 0.00 H new ATOM 650 N ARG A 41 3.208 -3.248 -6.584 1.00 0.00 N ATOM 651 CA ARG A 41 4.285 -4.168 -6.897 1.00 0.00 C ATOM 652 C ARG A 41 3.961 -5.493 -6.214 1.00 0.00 C ATOM 653 O ARG A 41 3.227 -5.545 -5.241 1.00 0.00 O ATOM 654 CB ARG A 41 5.588 -3.515 -6.375 1.00 0.00 C ATOM 655 CG ARG A 41 5.892 -3.772 -4.887 1.00 0.00 C ATOM 656 CD ARG A 41 6.745 -5.035 -4.691 1.00 0.00 C ATOM 657 NE ARG A 41 6.362 -5.756 -3.480 1.00 0.00 N ATOM 658 CZ ARG A 41 6.909 -5.482 -2.284 1.00 0.00 C ATOM 659 NH1 ARG A 41 7.786 -4.497 -2.154 1.00 0.00 N ATOM 660 NH2 ARG A 41 6.565 -6.199 -1.226 1.00 0.00 N ATOM 0 H ARG A 41 3.296 -2.687 -5.737 1.00 0.00 H new ATOM 0 HA ARG A 41 4.405 -4.367 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.424 -3.882 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.528 -2.439 -6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.414 -2.912 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.957 -3.876 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.633 -5.689 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.798 -4.759 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 41 5.657 -6.491 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.051 -3.940 -2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.196 -4.296 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.888 -6.956 -1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.977 -5.995 -0.316 1.00 0.00 H new ATOM 674 N GLU A 42 4.539 -6.552 -6.804 1.00 0.00 N ATOM 675 CA GLU A 42 4.286 -7.893 -6.291 1.00 0.00 C ATOM 676 C GLU A 42 5.350 -8.338 -5.323 1.00 0.00 C ATOM 677 O GLU A 42 6.518 -8.070 -5.554 1.00 0.00 O ATOM 678 CB GLU A 42 4.168 -8.894 -7.451 1.00 0.00 C ATOM 679 CG GLU A 42 5.463 -9.475 -8.015 1.00 0.00 C ATOM 680 CD GLU A 42 5.202 -10.539 -9.093 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.115 -10.556 -9.669 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.094 -11.344 -9.353 1.00 0.00 O ATOM 0 H GLU A 42 5.163 -6.504 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 42 3.342 -7.861 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.544 -9.723 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.636 -8.403 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.065 -8.671 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.044 -9.916 -7.205 1.00 0.00 H new ATOM 689 N SER A 43 4.951 -9.063 -4.257 1.00 0.00 N ATOM 690 CA SER A 43 6.039 -9.536 -3.386 1.00 0.00 C ATOM 691 C SER A 43 6.656 -10.745 -4.140 1.00 0.00 C ATOM 692 O SER A 43 5.969 -11.699 -4.469 1.00 0.00 O ATOM 693 CB SER A 43 5.495 -9.845 -1.937 1.00 0.00 C ATOM 694 OG SER A 43 6.409 -9.777 -0.761 1.00 0.00 O ATOM 0 H SER A 43 3.996 -9.311 -3.998 1.00 0.00 H new ATOM 0 HA SER A 43 6.818 -8.795 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.673 -9.155 -1.747 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.071 -10.849 -1.959 1.00 0.00 H new ATOM 0 HG SER A 43 5.910 -9.994 0.054 1.00 0.00 H new ATOM 700 N GLU A 44 7.959 -10.658 -4.446 1.00 0.00 N ATOM 701 CA GLU A 44 8.629 -11.739 -5.173 1.00 0.00 C ATOM 702 C GLU A 44 8.852 -13.005 -4.304 1.00 0.00 C ATOM 703 O GLU A 44 9.694 -13.836 -4.622 1.00 0.00 O ATOM 704 CB GLU A 44 9.939 -11.227 -5.771 1.00 0.00 C ATOM 705 CG GLU A 44 10.876 -10.600 -4.720 1.00 0.00 C ATOM 706 CD GLU A 44 12.333 -10.422 -5.201 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.557 -10.184 -6.386 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.237 -10.532 -4.371 1.00 0.00 O ATOM 0 H GLU A 44 8.557 -9.867 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 44 7.968 -12.051 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.454 -12.052 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.716 -10.486 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.479 -9.627 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.873 -11.225 -3.827 1.00 0.00 H new ATOM 715 N SER A 45 8.094 -13.094 -3.184 1.00 0.00 N ATOM 716 CA SER A 45 8.195 -14.224 -2.272 1.00 0.00 C ATOM 717 C SER A 45 6.810 -14.616 -1.693 1.00 0.00 C ATOM 718 O SER A 45 6.723 -15.299 -0.681 1.00 0.00 O ATOM 719 CB SER A 45 9.234 -13.894 -1.187 1.00 0.00 C ATOM 720 OG SER A 45 8.538 -12.943 -0.254 1.00 0.00 O ATOM 0 H SER A 45 7.411 -12.390 -2.904 1.00 0.00 H new ATOM 0 HA SER A 45 8.538 -15.106 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.557 -14.794 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.125 -13.440 -1.620 1.00 0.00 H new ATOM 0 HG SER A 45 9.148 -12.690 0.470 1.00 0.00 H new ATOM 726 N ASN A 46 5.742 -14.132 -2.362 1.00 0.00 N ATOM 727 CA ASN A 46 4.369 -14.394 -1.951 1.00 0.00 C ATOM 728 C ASN A 46 3.610 -15.448 -2.766 1.00 0.00 C ATOM 729 O ASN A 46 3.919 -15.756 -3.910 1.00 0.00 O ATOM 730 CB ASN A 46 3.559 -13.103 -2.022 1.00 0.00 C ATOM 731 CG ASN A 46 3.547 -12.356 -3.377 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.528 -11.146 -3.392 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.556 -13.070 -4.507 1.00 0.00 N ATOM 0 H ASN A 46 5.819 -13.552 -3.198 1.00 0.00 H new ATOM 0 HA ASN A 46 4.467 -14.792 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.528 -13.334 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.941 -12.421 -1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.547 -12.596 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.572 -14.089 -4.466 1.00 0.00 H new ATOM 740 N LYS A 47 2.625 -16.033 -2.062 1.00 0.00 N ATOM 741 CA LYS A 47 1.630 -16.924 -2.651 1.00 0.00 C ATOM 742 C LYS A 47 0.579 -16.174 -3.509 1.00 0.00 C ATOM 743 O LYS A 47 -0.615 -16.420 -3.369 1.00 0.00 O ATOM 744 CB LYS A 47 1.101 -17.978 -1.675 1.00 0.00 C ATOM 745 CG LYS A 47 0.945 -17.447 -0.262 1.00 0.00 C ATOM 746 CD LYS A 47 0.044 -16.210 -0.186 1.00 0.00 C ATOM 747 CE LYS A 47 -1.413 -16.582 0.083 1.00 0.00 C ATOM 748 NZ LYS A 47 -1.997 -17.401 -0.979 1.00 0.00 N ATOM 0 H LYS A 47 2.503 -15.894 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 47 2.147 -17.538 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.137 -18.343 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.780 -18.830 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.531 -18.231 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.928 -17.199 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.401 -15.549 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.110 -15.655 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.476 -17.122 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.000 -15.671 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.026 -17.251 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.583 -17.131 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.799 -18.405 -0.792 1.00 0.00 H new ATOM 762 N GLY A 48 1.050 -15.260 -4.377 1.00 0.00 N ATOM 763 CA GLY A 48 0.118 -14.485 -5.189 1.00 0.00 C ATOM 764 C GLY A 48 -0.316 -13.178 -4.500 1.00 0.00 C ATOM 765 O GLY A 48 -1.418 -12.688 -4.711 1.00 0.00 O ATOM 0 H GLY A 48 2.037 -15.050 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.583 -14.250 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.763 -15.090 -5.402 1.00 0.00 H new ATOM 769 N ALA A 49 0.627 -12.630 -3.693 1.00 0.00 N ATOM 770 CA ALA A 49 0.343 -11.369 -2.976 1.00 0.00 C ATOM 771 C ALA A 49 0.925 -10.168 -3.745 1.00 0.00 C ATOM 772 O ALA A 49 1.679 -10.300 -4.701 1.00 0.00 O ATOM 773 CB ALA A 49 0.896 -11.371 -1.523 1.00 0.00 C ATOM 0 H ALA A 49 1.553 -13.024 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.742 -11.281 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.660 -10.422 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.439 -12.186 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.977 -11.507 -1.545 1.00 0.00 H new ATOM 779 N PHE A 50 0.459 -8.987 -3.295 1.00 0.00 N ATOM 780 CA PHE A 50 0.888 -7.732 -3.897 1.00 0.00 C ATOM 781 C PHE A 50 1.002 -6.664 -2.782 1.00 0.00 C ATOM 782 O PHE A 50 0.680 -6.897 -1.623 1.00 0.00 O ATOM 783 CB PHE A 50 -0.013 -7.336 -5.104 1.00 0.00 C ATOM 784 CG PHE A 50 0.120 -8.224 -6.311 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.567 -9.433 -6.372 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.883 -7.833 -7.403 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.485 -10.239 -7.493 1.00 0.00 C ATOM 788 CE2 PHE A 50 0.911 -8.607 -8.555 1.00 0.00 C ATOM 789 CZ PHE A 50 0.220 -9.809 -8.604 1.00 0.00 C ATOM 0 H PHE A 50 -0.205 -8.886 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 50 1.878 -7.834 -4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.054 -7.342 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.224 -6.313 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.172 -9.746 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.459 -6.920 -7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.971 -11.204 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.472 -8.273 -9.415 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.232 -10.406 -9.504 1.00 0.00 H new ATOM 799 N SER A 51 1.430 -5.472 -3.240 1.00 0.00 N ATOM 800 CA SER A 51 1.632 -4.292 -2.410 1.00 0.00 C ATOM 801 C SER A 51 1.317 -3.040 -3.242 1.00 0.00 C ATOM 802 O SER A 51 1.479 -3.110 -4.442 1.00 0.00 O ATOM 803 CB SER A 51 3.093 -4.248 -1.904 1.00 0.00 C ATOM 804 OG SER A 51 3.625 -5.451 -1.207 1.00 0.00 O ATOM 0 H SER A 51 1.647 -5.310 -4.223 1.00 0.00 H new ATOM 0 HA SER A 51 0.970 -4.329 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.737 -4.045 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.187 -3.400 -1.226 1.00 0.00 H new ATOM 0 HG SER A 51 4.302 -5.178 -0.553 1.00 0.00 H new ATOM 810 N LEU A 52 0.969 -1.902 -2.592 1.00 0.00 N ATOM 811 CA LEU A 52 0.621 -0.682 -3.363 1.00 0.00 C ATOM 812 C LEU A 52 1.203 0.585 -2.668 1.00 0.00 C ATOM 813 O LEU A 52 1.028 0.816 -1.478 1.00 0.00 O ATOM 814 CB LEU A 52 -0.939 -0.603 -3.328 1.00 0.00 C ATOM 815 CG LEU A 52 -1.648 0.389 -4.277 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.258 0.161 -5.738 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.196 0.370 -4.102 1.00 0.00 C ATOM 0 H LEU A 52 0.922 -1.802 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 52 1.021 -0.725 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.326 -1.599 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.236 -0.356 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.302 1.383 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.779 0.880 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.182 0.291 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.535 -0.851 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.649 1.084 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.574 -0.630 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.450 0.643 -3.078 1.00 0.00 H new ATOM 829 N SER A 53 1.963 1.331 -3.501 1.00 0.00 N ATOM 830 CA SER A 53 2.641 2.579 -3.171 1.00 0.00 C ATOM 831 C SER A 53 1.850 3.760 -3.764 1.00 0.00 C ATOM 832 O SER A 53 1.470 3.714 -4.923 1.00 0.00 O ATOM 833 CB SER A 53 4.058 2.569 -3.742 1.00 0.00 C ATOM 834 OG SER A 53 4.742 1.507 -2.945 1.00 0.00 O ATOM 0 H SER A 53 2.120 1.053 -4.470 1.00 0.00 H new ATOM 0 HA SER A 53 2.697 2.684 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.061 2.337 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.546 3.537 -3.625 1.00 0.00 H new ATOM 0 HG SER A 53 5.672 1.422 -3.243 1.00 0.00 H new ATOM 840 N VAL A 54 1.642 4.815 -2.954 1.00 0.00 N ATOM 841 CA VAL A 54 0.900 5.970 -3.480 1.00 0.00 C ATOM 842 C VAL A 54 1.562 7.208 -2.930 1.00 0.00 C ATOM 843 O VAL A 54 2.061 7.167 -1.823 1.00 0.00 O ATOM 844 CB VAL A 54 -0.557 6.002 -2.984 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.343 7.216 -3.530 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.191 4.660 -3.283 1.00 0.00 C ATOM 0 H VAL A 54 1.958 4.891 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 54 0.903 5.911 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.581 6.153 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.364 7.190 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.859 8.138 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.361 7.178 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.225 4.661 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.166 4.477 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.639 3.874 -2.768 1.00 0.00 H new ATOM 856 N LYS A 55 1.502 8.322 -3.662 1.00 0.00 N ATOM 857 CA LYS A 55 2.124 9.466 -3.046 1.00 0.00 C ATOM 858 C LYS A 55 1.182 10.087 -1.998 1.00 0.00 C ATOM 859 O LYS A 55 0.079 10.523 -2.312 1.00 0.00 O ATOM 860 CB LYS A 55 2.375 10.397 -4.215 1.00 0.00 C ATOM 861 CG LYS A 55 2.595 11.881 -3.931 1.00 0.00 C ATOM 862 CD LYS A 55 3.775 12.104 -3.016 1.00 0.00 C ATOM 863 CE LYS A 55 5.070 11.534 -3.571 1.00 0.00 C ATOM 864 NZ LYS A 55 5.384 10.206 -3.067 1.00 0.00 N ATOM 0 H LYS A 55 1.077 8.445 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 55 3.041 9.233 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.250 10.029 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.527 10.312 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.757 12.411 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.698 12.302 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.899 13.173 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.569 11.648 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.004 11.495 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.889 12.210 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.411 10.048 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.072 10.127 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.894 9.492 -3.642 1.00 0.00 H new ATOM 878 N ASP A 56 1.722 10.147 -0.750 1.00 0.00 N ATOM 879 CA ASP A 56 0.898 10.810 0.250 1.00 0.00 C ATOM 880 C ASP A 56 1.592 12.133 0.527 1.00 0.00 C ATOM 881 O ASP A 56 2.799 12.245 0.681 1.00 0.00 O ATOM 882 CB ASP A 56 0.810 9.921 1.500 1.00 0.00 C ATOM 883 CG ASP A 56 0.358 10.666 2.776 1.00 0.00 C ATOM 884 OD1 ASP A 56 1.177 11.347 3.388 1.00 0.00 O ATOM 885 OD2 ASP A 56 -0.805 10.553 3.151 1.00 0.00 O ATOM 0 H ASP A 56 2.626 9.783 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.127 10.983 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.115 9.105 1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.786 9.471 1.682 1.00 0.00 H new ATOM 890 N ILE A 57 0.691 13.135 0.523 1.00 0.00 N ATOM 891 CA ILE A 57 1.111 14.504 0.746 1.00 0.00 C ATOM 892 C ILE A 57 0.657 14.918 2.154 1.00 0.00 C ATOM 893 O ILE A 57 -0.528 15.028 2.446 1.00 0.00 O ATOM 894 CB ILE A 57 0.531 15.413 -0.360 1.00 0.00 C ATOM 895 CG1 ILE A 57 0.709 14.857 -1.790 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.081 16.839 -0.239 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.144 14.781 -2.152 1.00 0.00 C ATOM 0 H ILE A 57 -0.310 13.012 0.370 1.00 0.00 H new ATOM 0 HA ILE A 57 2.195 14.602 0.693 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.546 15.436 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.260 13.866 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.184 15.495 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.658 17.460 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.810 17.252 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.167 16.820 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.244 14.387 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.584 15.777 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.661 14.123 -1.453 1.00 0.00 H new ATOM 909 N THR A 58 1.691 15.064 3.007 1.00 0.00 N ATOM 910 CA THR A 58 1.530 15.456 4.413 1.00 0.00 C ATOM 911 C THR A 58 2.432 16.652 4.721 1.00 0.00 C ATOM 912 O THR A 58 3.371 16.964 4.000 1.00 0.00 O ATOM 913 CB THR A 58 1.741 14.248 5.357 1.00 0.00 C ATOM 914 OG1 THR A 58 1.607 14.753 6.744 1.00 0.00 O ATOM 915 CG2 THR A 58 3.027 13.464 4.908 1.00 0.00 C ATOM 0 H THR A 58 2.662 14.912 2.735 1.00 0.00 H new ATOM 0 HA THR A 58 0.505 15.782 4.592 1.00 0.00 H new ATOM 0 HB THR A 58 0.991 13.459 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.733 14.014 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.182 12.611 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.899 13.112 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.892 14.125 4.959 1.00 0.00 H new ATOM 923 N THR A 59 2.050 17.309 5.840 1.00 0.00 N ATOM 924 CA THR A 59 2.766 18.474 6.347 1.00 0.00 C ATOM 925 C THR A 59 4.191 18.081 6.812 1.00 0.00 C ATOM 926 O THR A 59 5.070 18.930 6.885 1.00 0.00 O ATOM 927 CB THR A 59 1.931 19.176 7.452 1.00 0.00 C ATOM 928 OG1 THR A 59 2.572 20.505 7.598 1.00 0.00 O ATOM 929 CG2 THR A 59 1.920 18.278 8.718 1.00 0.00 C ATOM 0 H THR A 59 1.243 17.040 6.403 1.00 0.00 H new ATOM 0 HA THR A 59 2.898 19.200 5.544 1.00 0.00 H new ATOM 0 HB THR A 59 0.874 19.323 7.230 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.538 20.420 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.336 18.761 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.474 17.313 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.942 18.128 9.067 1.00 0.00 H new ATOM 937 N GLN A 60 4.394 16.754 7.061 1.00 0.00 N ATOM 938 CA GLN A 60 5.718 16.286 7.512 1.00 0.00 C ATOM 939 C GLN A 60 6.530 15.696 6.349 1.00 0.00 C ATOM 940 O GLN A 60 7.074 14.600 6.423 1.00 0.00 O ATOM 941 CB GLN A 60 5.645 15.293 8.680 1.00 0.00 C ATOM 942 CG GLN A 60 5.262 15.958 10.009 1.00 0.00 C ATOM 943 CD GLN A 60 4.503 14.997 10.928 1.00 0.00 C ATOM 944 OE1 GLN A 60 5.074 14.254 11.713 1.00 0.00 O ATOM 945 NE2 GLN A 60 3.173 15.071 10.769 1.00 0.00 N ATOM 0 H GLN A 60 3.686 16.027 6.960 1.00 0.00 H new ATOM 0 HA GLN A 60 6.234 17.170 7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.916 14.517 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.611 14.800 8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.163 16.308 10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.646 16.835 9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.776 15.720 10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.559 14.478 11.327 1.00 0.00 H new ATOM 954 N GLY A 61 6.570 16.512 5.279 1.00 0.00 N ATOM 955 CA GLY A 61 7.317 16.129 4.087 1.00 0.00 C ATOM 956 C GLY A 61 6.483 15.248 3.155 1.00 0.00 C ATOM 957 O GLY A 61 5.449 14.723 3.535 1.00 0.00 O ATOM 0 H GLY A 61 6.103 17.417 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.635 17.025 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.221 15.595 4.380 1.00 0.00 H new ATOM 961 N GLU A 62 6.966 15.144 1.903 1.00 0.00 N ATOM 962 CA GLU A 62 6.294 14.318 0.927 1.00 0.00 C ATOM 963 C GLU A 62 6.768 12.861 1.066 1.00 0.00 C ATOM 964 O GLU A 62 7.959 12.583 1.158 1.00 0.00 O ATOM 965 CB GLU A 62 6.640 14.867 -0.450 1.00 0.00 C ATOM 966 CG GLU A 62 5.533 14.525 -1.433 1.00 0.00 C ATOM 967 CD GLU A 62 5.975 14.764 -2.888 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.066 14.326 -3.257 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.214 15.362 -3.641 1.00 0.00 O ATOM 0 H GLU A 62 7.803 15.618 1.564 1.00 0.00 H new ATOM 0 HA GLU A 62 5.214 14.334 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.772 15.948 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.586 14.447 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.243 13.482 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.653 15.130 -1.215 1.00 0.00 H new ATOM 976 N VAL A 63 5.765 11.958 1.078 1.00 0.00 N ATOM 977 CA VAL A 63 6.047 10.542 1.241 1.00 0.00 C ATOM 978 C VAL A 63 5.204 9.735 0.264 1.00 0.00 C ATOM 979 O VAL A 63 4.418 10.273 -0.495 1.00 0.00 O ATOM 980 CB VAL A 63 5.672 10.157 2.684 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.416 11.041 3.700 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.130 10.153 2.918 1.00 0.00 C ATOM 0 H VAL A 63 4.777 12.191 0.978 1.00 0.00 H new ATOM 0 HA VAL A 63 7.100 10.336 1.047 1.00 0.00 H new ATOM 0 HB VAL A 63 5.999 9.129 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.134 10.749 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.491 10.916 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.151 12.085 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.919 9.875 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.729 11.147 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.662 9.434 2.246 1.00 0.00 H new ATOM 992 N VAL A 64 5.379 8.404 0.384 1.00 0.00 N ATOM 993 CA VAL A 64 4.601 7.452 -0.396 1.00 0.00 C ATOM 994 C VAL A 64 3.617 6.865 0.611 1.00 0.00 C ATOM 995 O VAL A 64 3.337 7.484 1.619 1.00 0.00 O ATOM 996 CB VAL A 64 5.502 6.406 -1.096 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.810 5.538 -2.148 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.561 7.123 -1.864 1.00 0.00 C ATOM 0 H VAL A 64 6.055 7.975 1.016 1.00 0.00 H new ATOM 0 HA VAL A 64 4.071 7.909 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 64 5.853 5.769 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.530 4.841 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.997 4.980 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.408 6.174 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.203 6.397 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.096 7.768 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.158 7.728 -1.182 1.00 0.00 H new ATOM 1008 N LYS A 65 3.061 5.710 0.257 1.00 0.00 N ATOM 1009 CA LYS A 65 2.154 4.926 1.089 1.00 0.00 C ATOM 1010 C LYS A 65 2.445 3.462 0.915 1.00 0.00 C ATOM 1011 O LYS A 65 3.014 3.071 -0.081 1.00 0.00 O ATOM 1012 CB LYS A 65 0.703 5.204 0.739 1.00 0.00 C ATOM 1013 CG LYS A 65 0.366 6.619 1.156 1.00 0.00 C ATOM 1014 CD LYS A 65 0.241 6.722 2.689 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.178 6.444 3.124 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.340 5.121 3.742 1.00 0.00 N ATOM 0 H LYS A 65 3.236 5.279 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 65 2.313 5.214 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.541 5.077 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.049 4.495 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.139 7.301 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.569 6.928 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.919 6.012 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.540 7.717 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.492 7.211 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.838 6.519 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.200 4.668 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.514 4.530 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.421 5.227 4.773 1.00 0.00 H new ATOM 1030 N HIS A 66 1.962 2.662 1.886 1.00 0.00 N ATOM 1031 CA HIS A 66 2.188 1.229 1.784 1.00 0.00 C ATOM 1032 C HIS A 66 0.948 0.455 2.277 1.00 0.00 C ATOM 1033 O HIS A 66 0.771 0.254 3.472 1.00 0.00 O ATOM 1034 CB HIS A 66 3.379 0.854 2.691 1.00 0.00 C ATOM 1035 CG HIS A 66 4.686 1.155 2.006 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.148 2.400 1.805 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.610 0.242 1.475 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.314 2.257 1.165 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.623 0.966 0.952 1.00 0.00 N ATOM 0 H HIS A 66 1.440 2.973 2.706 1.00 0.00 H new ATOM 0 HA HIS A 66 2.388 0.973 0.743 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.318 1.408 3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.331 -0.205 2.944 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.702 3.274 2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.527 -0.835 1.483 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.936 3.084 0.855 1.00 0.00 H new ATOM 1047 N TYR A 67 0.159 -0.036 1.299 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.041 -0.829 1.601 1.00 0.00 C ATOM 1049 C TYR A 67 -0.650 -2.293 1.316 1.00 0.00 C ATOM 1050 O TYR A 67 0.525 -2.595 1.140 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.255 -0.380 0.758 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.733 0.979 1.169 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.580 1.080 2.259 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.331 2.130 0.509 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.016 2.299 2.731 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.737 3.379 0.982 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.572 3.484 2.108 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.933 4.774 2.518 1.00 0.00 O ATOM 0 H TYR A 67 0.333 0.103 0.304 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.355 -0.697 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.983 -0.368 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.064 -1.101 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.908 0.178 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.705 2.061 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.693 2.347 3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.406 4.275 0.477 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.326 4.734 3.415 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.658 -3.190 1.247 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.344 -4.605 1.050 1.00 0.00 C ATOM 1070 C LYS A 68 -2.539 -5.413 0.520 1.00 0.00 C ATOM 1071 O LYS A 68 -3.516 -5.701 1.193 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.809 -5.193 2.365 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.864 -5.544 3.391 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.760 -4.346 3.711 1.00 0.00 C ATOM 1075 CE LYS A 68 -3.562 -4.549 4.981 1.00 0.00 C ATOM 1076 NZ LYS A 68 -4.717 -5.419 4.772 1.00 0.00 N ATOM 0 H LYS A 68 -2.650 -2.966 1.322 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.576 -4.675 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.235 -6.091 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.117 -4.477 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.475 -6.367 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.382 -5.893 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.145 -3.452 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.441 -4.172 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.920 -4.979 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.900 -3.582 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.991 -5.855 5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.512 -4.858 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.472 -6.163 4.088 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.363 -5.773 -0.763 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.331 -6.602 -1.477 1.00 0.00 C ATOM 1092 C ILE A 69 -2.985 -8.086 -1.327 1.00 0.00 C ATOM 1093 O ILE A 69 -1.913 -8.557 -1.648 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.487 -6.186 -2.953 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.241 -5.597 -3.581 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.736 -5.386 -3.227 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.138 -4.091 -3.425 1.00 0.00 C ATOM 0 H ILE A 69 -1.555 -5.499 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.306 -6.439 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.626 -7.131 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.363 -6.062 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.226 -5.846 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.778 -5.129 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.612 -5.977 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.721 -4.473 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.222 -3.738 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.997 -3.617 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.121 -3.835 -2.366 1.00 0.00 H new ATOM 1109 N ARG A 70 -4.003 -8.762 -0.778 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.950 -10.193 -0.550 1.00 0.00 C ATOM 1111 C ARG A 70 -4.636 -10.869 -1.712 1.00 0.00 C ATOM 1112 O ARG A 70 -5.224 -10.214 -2.552 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.636 -10.513 0.773 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.599 -10.410 1.887 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.960 -11.425 2.956 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.559 -10.985 4.292 1.00 0.00 N ATOM 1117 CZ ARG A 70 -2.284 -10.674 4.612 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -1.306 -10.826 3.733 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -1.997 -10.207 5.819 1.00 0.00 N ATOM 0 H ARG A 70 -4.877 -8.326 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.923 -10.552 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.457 -9.819 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.066 -11.514 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.600 -10.605 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.587 -9.403 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.036 -11.600 2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.479 -12.376 2.729 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.275 -10.910 5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.510 -11.182 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.348 -10.587 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.739 -10.082 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.034 -9.973 6.059 1.00 0.00 H new ATOM 1133 N SER A 71 -4.579 -12.207 -1.668 1.00 0.00 N ATOM 1134 CA SER A 71 -5.197 -12.997 -2.697 1.00 0.00 C ATOM 1135 C SER A 71 -5.888 -14.171 -2.022 1.00 0.00 C ATOM 1136 O SER A 71 -5.272 -15.018 -1.385 1.00 0.00 O ATOM 1137 CB SER A 71 -4.113 -13.480 -3.677 1.00 0.00 C ATOM 1138 OG SER A 71 -2.919 -14.139 -3.089 1.00 0.00 O ATOM 0 H SER A 71 -4.114 -12.742 -0.935 1.00 0.00 H new ATOM 0 HA SER A 71 -5.929 -12.419 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.575 -14.177 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.775 -12.622 -4.258 1.00 0.00 H new ATOM 0 HG SER A 71 -3.190 -14.677 -2.316 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.220 -14.125 -2.185 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.107 -15.121 -1.619 1.00 0.00 C ATOM 1146 C LEU A 72 -8.304 -16.217 -2.645 1.00 0.00 C ATOM 1147 O LEU A 72 -8.258 -15.991 -3.852 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.432 -14.479 -1.171 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.257 -13.087 -0.605 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -8.118 -13.063 0.416 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -9.212 -12.047 -1.733 1.00 0.00 C ATOM 0 H LEU A 72 -7.698 -13.395 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.670 -15.560 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.113 -14.436 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.900 -15.114 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.127 -12.787 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.006 -12.054 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.345 -13.750 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.190 -13.368 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.086 -11.052 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.375 -12.266 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.143 -12.083 -2.299 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.570 -17.390 -2.043 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.758 -18.627 -2.792 1.00 0.00 C ATOM 1165 C ASP A 73 -9.956 -18.597 -3.755 1.00 0.00 C ATOM 1166 O ASP A 73 -10.071 -19.449 -4.626 1.00 0.00 O ATOM 1167 CB ASP A 73 -8.923 -19.806 -1.819 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.101 -19.673 -0.825 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -11.235 -19.473 -1.258 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -9.867 -19.781 0.377 1.00 0.00 O ATOM 0 H ASP A 73 -8.658 -17.498 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.865 -18.746 -3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.057 -20.720 -2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.000 -19.921 -1.251 1.00 0.00 H new ATOM 1175 N ASN A 74 -10.818 -17.575 -3.564 1.00 0.00 N ATOM 1176 CA ASN A 74 -11.998 -17.476 -4.422 1.00 0.00 C ATOM 1177 C ASN A 74 -11.740 -16.655 -5.695 1.00 0.00 C ATOM 1178 O ASN A 74 -12.591 -16.572 -6.569 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.167 -16.855 -3.629 1.00 0.00 C ATOM 1180 CG ASN A 74 -12.914 -15.380 -3.248 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -11.863 -14.811 -3.508 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -13.943 -14.786 -2.636 1.00 0.00 N ATOM 0 H ASN A 74 -10.721 -16.845 -2.858 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.251 -18.488 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.079 -16.921 -4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.334 -17.436 -2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.876 -13.806 -2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.796 -15.312 -2.445 1.00 0.00 H new ATOM 1189 N GLY A 75 -10.511 -16.111 -5.758 1.00 0.00 N ATOM 1190 CA GLY A 75 -10.099 -15.347 -6.925 1.00 0.00 C ATOM 1191 C GLY A 75 -10.481 -13.871 -6.834 1.00 0.00 C ATOM 1192 O GLY A 75 -11.340 -13.388 -7.559 1.00 0.00 O ATOM 0 H GLY A 75 -9.806 -16.189 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.019 -15.431 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.553 -15.781 -7.816 1.00 0.00 H new ATOM 1196 N GLY A 76 -9.751 -13.200 -5.929 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.869 -11.807 -5.619 1.00 0.00 C ATOM 1198 C GLY A 76 -8.653 -11.276 -4.862 1.00 0.00 C ATOM 1199 O GLY A 76 -7.735 -11.991 -4.483 1.00 0.00 O ATOM 0 H GLY A 76 -9.029 -13.660 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.995 -11.241 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.766 -11.645 -5.021 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.785 -9.962 -4.614 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.788 -9.146 -3.952 1.00 0.00 C ATOM 1205 C TYR A 77 -8.540 -8.249 -2.982 1.00 0.00 C ATOM 1206 O TYR A 77 -9.656 -7.821 -3.240 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.950 -8.313 -4.956 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.137 -9.171 -5.881 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.669 -9.618 -7.074 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.848 -9.526 -5.536 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.947 -10.426 -7.932 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -4.105 -10.368 -6.361 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.644 -10.809 -7.577 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.886 -11.628 -8.405 1.00 0.00 O ATOM 0 H TYR A 77 -9.617 -9.436 -4.882 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.069 -9.777 -3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.616 -7.682 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.285 -7.648 -4.405 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.674 -9.329 -7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.413 -9.149 -4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.380 -10.759 -8.864 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.115 -10.680 -6.064 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.010 -11.786 -7.996 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.859 -8.008 -1.842 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.495 -7.177 -0.800 1.00 0.00 C ATOM 1226 C TYR A 78 -7.428 -6.451 0.024 1.00 0.00 C ATOM 1227 O TYR A 78 -6.308 -6.924 0.186 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.459 -7.989 0.121 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.857 -8.609 1.377 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.674 -7.816 2.517 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.496 -9.962 1.454 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.120 -8.317 3.680 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.957 -10.479 2.627 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.763 -9.667 3.751 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.206 -10.184 4.915 1.00 0.00 O ATOM 0 H TYR A 78 -6.924 -8.354 -1.626 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.113 -6.439 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.272 -7.330 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.902 -8.789 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.976 -6.779 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.637 -10.605 0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.964 -7.669 4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.684 -11.523 2.672 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.019 -11.138 4.792 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.835 -5.206 0.399 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.917 -4.364 1.200 1.00 0.00 C ATOM 1247 C ILE A 79 -7.531 -4.105 2.564 1.00 0.00 C ATOM 1248 O ILE A 79 -6.917 -4.334 3.598 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.433 -3.061 0.538 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.443 -2.465 -0.432 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.074 -3.233 -0.154 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.802 -1.311 -1.246 1.00 0.00 C ATOM 0 H ILE A 79 -8.737 -4.787 0.174 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.999 -4.944 1.294 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.318 -2.354 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.805 -3.238 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.308 -2.093 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.774 -2.288 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.328 -3.537 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.154 -3.996 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.540 -0.898 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.463 -0.530 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.952 -1.693 -1.812 1.00 0.00 H new ATOM 1264 N SER A 80 -8.797 -3.687 2.491 1.00 0.00 N ATOM 1265 CA SER A 80 -9.549 -3.446 3.698 1.00 0.00 C ATOM 1266 C SER A 80 -10.588 -4.547 3.545 1.00 0.00 C ATOM 1267 O SER A 80 -11.237 -4.635 2.516 1.00 0.00 O ATOM 1268 CB SER A 80 -10.248 -2.055 3.695 1.00 0.00 C ATOM 1269 OG SER A 80 -9.409 -0.828 3.668 1.00 0.00 O ATOM 0 H SER A 80 -9.304 -3.515 1.623 1.00 0.00 H new ATOM 0 HA SER A 80 -8.955 -3.449 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.909 -2.021 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.880 -2.002 4.581 1.00 0.00 H new ATOM 0 HG SER A 80 -9.987 -0.037 3.668 1.00 0.00 H new ATOM 1275 N PRO A 81 -10.718 -5.403 4.594 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.611 -6.550 4.503 1.00 0.00 C ATOM 1277 C PRO A 81 -13.100 -6.213 4.356 1.00 0.00 C ATOM 1278 O PRO A 81 -13.913 -7.065 4.024 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.414 -7.223 5.875 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.314 -6.510 6.651 1.00 0.00 C ATOM 1281 CD PRO A 81 -9.910 -5.350 5.798 1.00 0.00 C ATOM 0 HA PRO A 81 -11.373 -7.139 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.346 -7.195 6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.154 -8.273 5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.674 -6.175 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.470 -7.174 6.835 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.068 -4.410 6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.849 -5.403 5.553 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.373 -4.894 4.461 1.00 0.00 N ATOM 1290 CA ARG A 82 -14.737 -4.412 4.267 1.00 0.00 C ATOM 1291 C ARG A 82 -15.056 -4.299 2.743 1.00 0.00 C ATOM 1292 O ARG A 82 -16.171 -3.967 2.368 1.00 0.00 O ATOM 1293 CB ARG A 82 -14.917 -3.078 5.025 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.069 -1.935 4.450 1.00 0.00 C ATOM 1295 CD ARG A 82 -14.941 -0.939 3.690 1.00 0.00 C ATOM 1296 NE ARG A 82 -15.419 0.106 4.589 1.00 0.00 N ATOM 1297 CZ ARG A 82 -16.400 0.960 4.236 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -16.963 0.892 3.036 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -16.812 1.877 5.099 1.00 0.00 N ATOM 0 H ARG A 82 -12.684 -4.172 4.673 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.455 -5.121 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.968 -2.791 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.654 -3.225 6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.545 -1.424 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.308 -2.341 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.370 -0.494 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.788 -1.457 3.240 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.997 0.193 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.654 0.187 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.704 1.545 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.387 1.934 6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.554 2.526 4.838 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.020 -4.596 1.910 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.022 -4.551 0.452 1.00 0.00 C ATOM 1315 C ILE A 83 -12.956 -5.463 -0.236 1.00 0.00 C ATOM 1316 O ILE A 83 -11.736 -5.345 -0.056 1.00 0.00 O ATOM 1317 CB ILE A 83 -13.875 -3.141 -0.043 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -12.677 -2.499 0.620 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.136 -2.304 0.194 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -12.549 -1.101 0.123 1.00 0.00 C ATOM 0 H ILE A 83 -13.115 -4.889 2.278 1.00 0.00 H new ATOM 0 HA ILE A 83 -14.994 -4.954 0.167 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.724 -3.178 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.796 -2.506 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.773 -3.064 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -14.978 -1.293 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -15.978 -2.758 -0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.351 -2.265 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -11.688 -0.625 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.413 -1.110 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.452 -0.543 0.370 1.00 0.00 H new ATOM 1332 N THR A 84 -13.563 -6.360 -1.044 1.00 0.00 N ATOM 1333 CA THR A 84 -12.849 -7.314 -1.883 1.00 0.00 C ATOM 1334 C THR A 84 -13.189 -7.047 -3.372 1.00 0.00 C ATOM 1335 O THR A 84 -14.222 -6.476 -3.694 1.00 0.00 O ATOM 1336 CB THR A 84 -13.257 -8.756 -1.527 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.407 -9.004 -0.072 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.070 -9.674 -1.871 1.00 0.00 C ATOM 0 H THR A 84 -14.577 -6.433 -1.124 1.00 0.00 H new ATOM 0 HA THR A 84 -11.779 -7.194 -1.714 1.00 0.00 H new ATOM 0 HB THR A 84 -14.195 -8.929 -2.055 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.668 -9.937 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.326 -10.706 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.845 -9.595 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.197 -9.372 -1.292 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.278 -7.524 -4.244 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.441 -7.409 -5.699 1.00 0.00 C ATOM 1348 C PHE A 85 -11.948 -8.745 -6.316 1.00 0.00 C ATOM 1349 O PHE A 85 -11.414 -9.559 -5.590 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.683 -6.151 -6.159 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.350 -4.902 -5.619 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.508 -4.403 -6.216 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.831 -4.237 -4.507 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.134 -3.264 -5.713 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.450 -3.095 -4.010 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.611 -2.615 -4.598 1.00 0.00 C ATOM 0 H PHE A 85 -11.419 -7.994 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.471 -7.273 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.650 -6.196 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.655 -6.114 -7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.924 -4.905 -7.077 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.939 -4.613 -4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.026 -2.884 -6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.025 -2.579 -3.162 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.106 -1.744 -4.194 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.106 -8.952 -7.657 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.622 -10.210 -8.287 1.00 0.00 C ATOM 1368 C PRO A 86 -10.224 -10.043 -8.913 1.00 0.00 C ATOM 1369 O PRO A 86 -9.433 -10.982 -8.933 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.570 -10.348 -9.525 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.447 -9.085 -9.623 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.122 -8.227 -8.417 1.00 0.00 C ATOM 0 HA PRO A 86 -11.600 -11.023 -7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.985 -10.473 -10.436 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.196 -11.235 -9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.243 -8.544 -10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.504 -9.349 -9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.753 -7.249 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.012 -8.056 -7.811 1.00 0.00 H new ATOM 1380 N THR A 87 -9.905 -8.804 -9.315 1.00 0.00 N ATOM 1381 CA THR A 87 -8.574 -8.516 -9.846 1.00 0.00 C ATOM 1382 C THR A 87 -8.267 -7.119 -9.377 1.00 0.00 C ATOM 1383 O THR A 87 -9.148 -6.377 -8.956 1.00 0.00 O ATOM 1384 CB THR A 87 -8.393 -8.660 -11.383 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.319 -7.934 -12.097 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.705 -8.325 -12.087 1.00 0.00 C ATOM 0 H THR A 87 -10.538 -8.005 -9.282 1.00 0.00 H new ATOM 0 HA THR A 87 -7.878 -9.269 -9.476 1.00 0.00 H new ATOM 0 HB THR A 87 -8.069 -9.699 -11.441 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.359 -8.148 -13.053 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.576 -8.427 -13.165 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.484 -9.008 -11.749 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.993 -7.301 -11.851 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.979 -6.762 -9.541 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.638 -5.431 -9.091 1.00 0.00 C ATOM 1396 C LEU A 88 -7.175 -4.392 -10.061 1.00 0.00 C ATOM 1397 O LEU A 88 -7.150 -3.219 -9.750 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.141 -5.201 -9.010 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.423 -5.963 -7.916 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.936 -5.717 -8.058 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.858 -5.441 -6.560 1.00 0.00 C ATOM 0 H LEU A 88 -6.231 -7.326 -9.944 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.078 -5.337 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.697 -5.471 -9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.962 -4.136 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.656 -7.025 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.401 -6.259 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.601 -6.065 -9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.733 -4.650 -7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.340 -5.991 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.614 -4.382 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.934 -5.574 -6.447 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.642 -4.821 -11.250 1.00 0.00 N ATOM 1414 CA GLN A 89 -8.207 -3.770 -12.111 1.00 0.00 C ATOM 1415 C GLN A 89 -9.473 -3.200 -11.468 1.00 0.00 C ATOM 1416 O GLN A 89 -9.657 -2.002 -11.495 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.440 -4.157 -13.588 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.941 -5.581 -13.767 1.00 0.00 C ATOM 1419 CD GLN A 89 -10.386 -5.686 -14.251 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -11.282 -5.572 -13.255 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -10.666 -5.873 -15.424 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.644 -5.777 -11.607 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.436 -3.002 -12.175 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.162 -3.468 -14.027 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.507 -4.036 -14.139 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.294 -6.094 -14.479 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.850 -6.107 -12.817 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.924 -5.948 -16.120 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.642 -5.954 -15.709 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.296 -4.078 -10.846 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.538 -3.582 -10.249 1.00 0.00 C ATOM 1432 C ALA A 90 -11.287 -2.928 -8.878 1.00 0.00 C ATOM 1433 O ALA A 90 -12.041 -2.063 -8.447 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.483 -4.792 -10.050 1.00 0.00 C ATOM 0 H ALA A 90 -10.128 -5.080 -10.751 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.971 -2.831 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.419 -4.453 -9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.686 -5.257 -11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.010 -5.518 -9.389 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.176 -3.324 -8.247 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.829 -2.742 -6.964 1.00 0.00 C ATOM 1442 C LEU A 91 -9.290 -1.318 -7.180 1.00 0.00 C ATOM 1443 O LEU A 91 -9.668 -0.379 -6.503 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.810 -3.663 -6.279 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.789 -2.977 -5.347 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.210 -3.948 -4.313 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.656 -2.383 -6.196 1.00 0.00 C ATOM 0 H LEU A 91 -9.524 -4.025 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.700 -2.658 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.356 -4.407 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.261 -4.201 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.306 -2.190 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.496 -3.422 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.016 -4.348 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.705 -4.767 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.930 -1.896 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.165 -3.179 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.068 -1.651 -6.891 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.447 -1.223 -8.225 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.766 0.008 -8.571 1.00 0.00 C ATOM 1461 C VAL A 92 -8.757 1.013 -9.205 1.00 0.00 C ATOM 1462 O VAL A 92 -8.719 2.189 -8.901 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.558 -0.405 -9.441 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.822 0.747 -10.057 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.426 -1.123 -8.681 1.00 0.00 C ATOM 0 H VAL A 92 -8.229 -2.004 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.381 0.556 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.057 -1.046 -10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.989 0.371 -10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.500 1.311 -10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.441 1.398 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.623 -1.373 -9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.040 -0.468 -7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.813 -2.037 -8.230 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.652 0.489 -10.067 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.687 1.235 -10.770 1.00 0.00 C ATOM 1477 C GLN A 93 -11.628 1.900 -9.755 1.00 0.00 C ATOM 1478 O GLN A 93 -12.050 3.038 -9.902 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.483 0.366 -11.781 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.731 -0.341 -11.244 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.969 0.552 -11.188 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -14.537 0.815 -10.137 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.356 0.972 -12.399 1.00 0.00 N ATOM 0 H GLN A 93 -9.664 -0.505 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.188 2.003 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.783 1.002 -12.614 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.810 -0.391 -12.184 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.946 -1.205 -11.872 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.521 -0.718 -10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.822 0.705 -13.226 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.185 1.559 -12.494 1.00 0.00 H new ATOM 1492 N HIS A 94 -11.809 1.163 -8.641 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.722 1.676 -7.621 1.00 0.00 C ATOM 1494 C HIS A 94 -12.063 2.903 -6.989 1.00 0.00 C ATOM 1495 O HIS A 94 -12.649 3.975 -6.903 1.00 0.00 O ATOM 1496 CB HIS A 94 -12.942 0.582 -6.568 1.00 0.00 C ATOM 1497 CG HIS A 94 -13.888 1.061 -5.492 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -13.490 1.671 -4.352 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.292 0.987 -5.486 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -14.617 1.961 -3.676 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -15.721 1.559 -4.337 1.00 0.00 N ATOM 0 H HIS A 94 -11.364 0.268 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.687 1.953 -8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.346 -0.312 -7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -11.988 0.302 -6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.913 0.554 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.635 2.457 -2.717 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.688 1.665 -4.032 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.763 2.699 -6.695 1.00 0.00 N ATOM 1510 CA TYR A 95 -9.964 3.781 -6.154 1.00 0.00 C ATOM 1511 C TYR A 95 -9.655 4.838 -7.245 1.00 0.00 C ATOM 1512 O TYR A 95 -9.161 5.903 -6.896 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.695 3.275 -5.446 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.061 2.535 -4.185 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.707 3.194 -3.149 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.799 1.186 -4.056 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.132 2.527 -2.021 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.167 0.488 -2.922 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.804 1.165 -1.872 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.086 0.484 -0.692 1.00 0.00 O ATOM 0 H TYR A 95 -10.269 1.816 -6.823 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.556 4.273 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.136 2.618 -6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.044 4.116 -5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -9.881 4.257 -3.229 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.296 0.666 -4.858 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.707 3.039 -1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.966 -0.570 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.790 -0.447 -0.773 1.00 0.00 H new ATOM 1530 N SER A 96 -9.962 4.528 -8.547 1.00 0.00 N ATOM 1531 CA SER A 96 -9.714 5.554 -9.585 1.00 0.00 C ATOM 1532 C SER A 96 -10.842 6.617 -9.565 1.00 0.00 C ATOM 1533 O SER A 96 -10.752 7.599 -10.297 1.00 0.00 O ATOM 1534 CB SER A 96 -9.650 4.968 -11.037 1.00 0.00 C ATOM 1535 OG SER A 96 -8.242 4.528 -11.375 1.00 0.00 O ATOM 0 H SER A 96 -10.351 3.644 -8.874 1.00 0.00 H new ATOM 0 HA SER A 96 -8.743 5.987 -9.344 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.331 4.122 -11.123 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.983 5.720 -11.753 1.00 0.00 H new ATOM 0 HG SER A 96 -8.223 4.164 -12.284 1.00 0.00 H new ATOM 1541 N LYS A 97 -11.887 6.394 -8.749 1.00 0.00 N ATOM 1542 CA LYS A 97 -12.980 7.377 -8.678 1.00 0.00 C ATOM 1543 C LYS A 97 -12.966 8.206 -7.383 1.00 0.00 C ATOM 1544 O LYS A 97 -13.221 9.394 -7.397 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.325 6.666 -8.836 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.732 6.455 -10.300 1.00 0.00 C ATOM 1547 CD LYS A 97 -13.703 5.637 -11.085 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.259 5.052 -12.379 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.567 6.095 -13.351 1.00 0.00 N ATOM 0 H LYS A 97 -11.997 5.575 -8.151 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.829 8.081 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.277 5.698 -8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.097 7.247 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.697 5.949 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.863 7.425 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.847 6.270 -11.319 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.337 4.826 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.535 4.358 -12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.160 4.478 -12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.943 5.661 -14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.276 6.743 -12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.702 6.626 -13.576 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.710 7.502 -6.248 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.679 8.168 -4.981 1.00 0.00 C ATOM 1565 C LYS A 98 -11.828 7.343 -3.997 1.00 0.00 C ATOM 1566 O LYS A 98 -11.814 6.123 -4.032 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.114 8.351 -4.518 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.134 9.246 -3.374 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.060 8.861 -1.969 1.00 0.00 C ATOM 1570 CE LYS A 98 -13.220 9.791 -1.077 1.00 0.00 C ATOM 1571 NZ LYS A 98 -13.950 10.905 -0.492 1.00 0.00 N ATOM 0 H LYS A 98 -12.530 6.499 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.216 9.153 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.721 8.760 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.548 7.388 -4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.307 9.938 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.054 9.822 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.072 8.816 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.647 7.854 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.782 9.200 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.394 10.187 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.305 11.475 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.346 11.497 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.722 10.541 0.102 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.107 8.094 -3.132 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.243 7.595 -2.068 1.00 0.00 C ATOM 1587 C GLY A 99 -11.094 7.242 -0.850 1.00 0.00 C ATOM 1588 O GLY A 99 -10.979 7.818 0.223 1.00 0.00 O ATOM 0 H GLY A 99 -11.122 9.113 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.696 6.717 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.502 8.349 -1.802 1.00 0.00 H new ATOM 1592 N ASP A 100 -11.990 6.294 -1.129 1.00 0.00 N ATOM 1593 CA ASP A 100 -12.961 5.784 -0.185 1.00 0.00 C ATOM 1594 C ASP A 100 -12.360 4.860 0.923 1.00 0.00 C ATOM 1595 O ASP A 100 -13.028 4.090 1.600 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.109 5.285 -0.995 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.423 5.065 -0.219 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.605 4.206 0.676 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.257 5.881 -0.522 1.00 0.00 O ATOM 0 H ASP A 100 -12.054 5.853 -2.047 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.348 6.561 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.298 5.994 -1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.820 4.343 -1.461 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.039 5.035 1.093 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.398 4.261 2.139 1.00 0.00 C ATOM 1606 C GLY A 101 -8.933 4.570 2.309 1.00 0.00 C ATOM 1607 O GLY A 101 -8.411 4.471 3.414 1.00 0.00 O ATOM 0 H GLY A 101 -10.439 5.662 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.911 4.446 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.513 3.200 1.916 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.295 4.997 1.191 1.00 0.00 N ATOM 1612 CA LEU A 102 -6.872 5.275 1.290 1.00 0.00 C ATOM 1613 C LEU A 102 -6.662 6.716 1.820 1.00 0.00 C ATOM 1614 O LEU A 102 -6.656 6.955 3.019 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.108 5.011 -0.036 1.00 0.00 C ATOM 1616 CG LEU A 102 -6.594 3.780 -0.793 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -5.951 3.726 -2.179 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.282 2.495 -0.027 1.00 0.00 C ATOM 0 H LEU A 102 -8.722 5.144 0.276 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.439 4.575 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.206 5.884 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.047 4.895 0.184 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.676 3.859 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.305 2.843 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.221 4.620 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.867 3.676 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.642 1.637 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.205 2.409 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.777 2.521 0.944 1.00 0.00 H new ATOM 1630 N CYS A 103 -6.490 7.648 0.868 1.00 0.00 N ATOM 1631 CA CYS A 103 -6.282 9.044 1.202 1.00 0.00 C ATOM 1632 C CYS A 103 -6.423 9.917 -0.058 1.00 0.00 C ATOM 1633 O CYS A 103 -6.905 11.039 0.001 1.00 0.00 O ATOM 1634 CB CYS A 103 -4.922 9.223 1.896 1.00 0.00 C ATOM 1635 SG CYS A 103 -3.583 8.369 1.027 1.00 0.00 S ATOM 0 H CYS A 103 -6.493 7.449 -0.132 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.047 9.372 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.688 10.286 1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.986 8.847 2.917 1.00 0.00 H new ATOM 0 HG CYS A 103 -3.002 9.194 0.208 1.00 0.00 H new ATOM 1641 N GLN A 104 -5.964 9.348 -1.199 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.013 10.068 -2.449 1.00 0.00 C ATOM 1643 C GLN A 104 -6.232 8.986 -3.495 1.00 0.00 C ATOM 1644 O GLN A 104 -5.468 8.047 -3.660 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.611 10.706 -2.692 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.341 12.052 -1.981 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.107 11.935 -0.483 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -3.505 10.989 -0.003 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -4.582 12.968 0.222 1.00 0.00 N ATOM 0 H GLN A 104 -5.567 8.410 -1.258 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.778 10.844 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.850 9.993 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.483 10.853 -3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.469 12.521 -2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.188 12.716 -2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.076 13.724 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.450 12.999 1.233 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.277 9.284 -4.257 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.707 8.471 -5.364 1.00 0.00 C ATOM 1660 C LYS A 105 -6.634 8.557 -6.443 1.00 0.00 C ATOM 1661 O LYS A 105 -5.717 9.366 -6.384 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.049 8.985 -5.815 1.00 0.00 C ATOM 1663 CG LYS A 105 -8.969 10.220 -6.701 1.00 0.00 C ATOM 1664 CD LYS A 105 -10.312 10.912 -6.624 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.459 11.714 -5.325 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.223 12.941 -5.520 1.00 0.00 N ATOM 0 H LYS A 105 -7.852 10.114 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.829 7.420 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.567 8.194 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.652 9.218 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.174 10.885 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.738 9.942 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.428 11.578 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.108 10.170 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.951 11.097 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.470 11.961 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.297 13.451 -4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.741 13.542 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.176 12.706 -5.864 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.831 7.709 -7.439 1.00 0.00 N ATOM 1681 CA LEU A 106 -5.860 7.652 -8.519 1.00 0.00 C ATOM 1682 C LEU A 106 -6.094 8.808 -9.483 1.00 0.00 C ATOM 1683 O LEU A 106 -7.165 8.955 -10.060 1.00 0.00 O ATOM 1684 CB LEU A 106 -5.974 6.348 -9.317 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.219 5.125 -8.438 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.026 3.813 -9.177 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.338 5.091 -7.212 1.00 0.00 C ATOM 0 H LEU A 106 -7.623 7.072 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.870 7.710 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.788 6.440 -10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.058 6.199 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.262 5.227 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.215 2.982 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.721 3.762 -10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.003 3.752 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.561 4.197 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.291 5.074 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.525 5.977 -6.605 1.00 0.00 H new ATOM 1699 N THR A 107 -5.022 9.603 -9.605 1.00 0.00 N ATOM 1700 CA THR A 107 -5.096 10.756 -10.481 1.00 0.00 C ATOM 1701 C THR A 107 -4.352 10.450 -11.784 1.00 0.00 C ATOM 1702 O THR A 107 -4.967 10.359 -12.838 1.00 0.00 O ATOM 1703 CB THR A 107 -4.520 12.015 -9.822 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.070 11.960 -9.500 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.127 12.182 -8.404 1.00 0.00 C ATOM 0 H THR A 107 -4.132 9.470 -9.125 1.00 0.00 H new ATOM 0 HA THR A 107 -6.147 10.956 -10.692 1.00 0.00 H new ATOM 0 HB THR A 107 -4.737 12.796 -10.551 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.934 12.203 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.717 13.077 -7.936 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.210 12.276 -8.481 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.881 11.310 -7.798 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.023 10.255 -11.648 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.171 9.942 -12.793 1.00 0.00 C ATOM 1715 C LEU A 108 -1.167 8.845 -12.406 1.00 0.00 C ATOM 1716 O LEU A 108 -0.215 9.135 -11.701 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.461 11.141 -13.410 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.417 12.123 -14.136 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.343 13.587 -13.675 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.142 12.064 -15.642 1.00 0.00 C ATOM 0 H LEU A 108 -2.528 10.310 -10.758 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.838 9.585 -13.578 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.927 11.679 -12.627 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.713 10.785 -14.118 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.422 11.788 -13.880 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.052 14.185 -14.248 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.590 13.648 -12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.334 13.968 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.810 12.752 -16.161 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.107 12.348 -15.834 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.313 11.050 -16.004 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.401 7.575 -12.852 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.523 6.442 -12.534 1.00 0.00 C ATOM 1734 C PRO A 109 0.896 6.630 -13.091 1.00 0.00 C ATOM 1735 O PRO A 109 1.225 6.221 -14.191 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.138 5.207 -13.212 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.425 5.693 -13.863 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.502 7.227 -13.710 1.00 0.00 C ATOM 0 HA PRO A 109 -0.444 6.346 -11.451 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.458 4.788 -13.954 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.340 4.421 -12.485 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.444 5.416 -14.917 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.288 5.222 -13.394 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.421 7.724 -14.677 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.453 7.532 -13.274 1.00 0.00 H new ATOM 1746 N CYS A 110 1.717 7.193 -12.195 1.00 0.00 N ATOM 1747 CA CYS A 110 3.140 7.500 -12.432 1.00 0.00 C ATOM 1748 C CYS A 110 3.382 7.989 -13.890 1.00 0.00 C ATOM 1749 O CYS A 110 2.537 8.675 -14.447 1.00 0.00 O ATOM 1750 CB CYS A 110 3.975 6.281 -12.054 1.00 0.00 C ATOM 1751 SG CYS A 110 5.662 6.690 -11.562 1.00 0.00 S ATOM 0 H CYS A 110 1.405 7.456 -11.260 1.00 0.00 H new ATOM 0 HA CYS A 110 3.454 8.330 -11.800 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.484 5.753 -11.236 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.008 5.596 -12.901 1.00 0.00 H new ATOM 0 HG CYS A 110 6.332 5.595 -11.358 1.00 0.00 H new