USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 645 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 29 GLN : amide:sc= -2.42! C(o=-3.9!,f=-4.9!) USER MOD Set 1.2: A 69 TYR OH : rot -94:sc= -1.46! USER MOD Set 2.1: A 32 TYR OH : rot 51:sc= 0.477 USER MOD Set 2.2: A 60 GLN : amide:sc= -0.707 K(o=-0.23,f=-1.2!) USER MOD Single : A 10 SER OG : rot 34:sc= 0.107 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -138:sc= -1.95 (180deg=-4.27!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -42:sc= -0.568! USER MOD Single : A 23 ASN :FLIP amide:sc= -0.498 F(o=-1.9!,f=-0.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.519 K(o=-0.52,f=-2.4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -1.96! (180deg=-2.09!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= -0.178 (180deg=-1.35) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 114:sc= 0.48! USER MOD Single : A 55 TYR OH : rot -88:sc= 1.42 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.105) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.05 K(o=-1,f=-1.9) USER MOD Single : A 65 THR OG1 : rot -120:sc= -0.18 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.59! C(o=-2.6!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= -0.0218 (180deg=-0.335) USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= -0.173 (180deg=-0.893) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.23) USER MOD Single : A 86 TYR OH : rot 17:sc= -2.79! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.629 -12.278 10.020 1.00 0.00 N ATOM 194 CA SER A 10 75.811 -13.090 9.753 1.00 0.00 C ATOM 195 C SER A 10 76.765 -12.360 8.810 1.00 0.00 C ATOM 196 O SER A 10 76.433 -11.314 8.257 1.00 0.00 O ATOM 197 CB SER A 10 75.399 -14.424 9.132 1.00 0.00 C ATOM 198 OG SER A 10 74.514 -15.101 10.014 1.00 0.00 O ATOM 0 HA SER A 10 76.323 -13.272 10.698 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.914 -14.256 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.280 -15.037 8.942 1.00 0.00 H new ATOM 0 HG SER A 10 73.955 -14.446 10.483 1.00 0.00 H new ATOM 204 N ILE A 11 77.956 -12.920 8.636 1.00 0.00 N ATOM 205 CA ILE A 11 78.950 -12.325 7.751 1.00 0.00 C ATOM 206 C ILE A 11 79.514 -13.378 6.804 1.00 0.00 C ATOM 207 O ILE A 11 79.950 -14.442 7.239 1.00 0.00 O ATOM 208 CB ILE A 11 80.074 -11.691 8.565 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.485 -10.661 9.533 1.00 0.00 C ATOM 210 CG2 ILE A 11 81.064 -11.000 7.623 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.365 -11.286 10.925 1.00 0.00 C ATOM 0 H ILE A 11 78.256 -13.781 9.093 1.00 0.00 H new ATOM 0 HA ILE A 11 78.466 -11.547 7.160 1.00 0.00 H new ATOM 0 HB ILE A 11 80.593 -12.465 9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 11 80.121 -9.777 9.572 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.506 -10.334 9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.866 -10.548 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.485 -11.734 6.935 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.547 -10.226 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.946 -10.555 11.617 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.712 -12.157 10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.352 -11.591 11.273 1.00 0.00 H new ATOM 223 N SER A 12 79.503 -13.070 5.508 1.00 0.00 N ATOM 224 CA SER A 12 80.005 -13.990 4.495 1.00 0.00 C ATOM 225 C SER A 12 81.100 -13.325 3.671 1.00 0.00 C ATOM 226 O SER A 12 81.423 -12.161 3.885 1.00 0.00 O ATOM 227 CB SER A 12 78.878 -14.447 3.577 1.00 0.00 C ATOM 228 OG SER A 12 77.871 -15.079 4.355 1.00 0.00 O ATOM 0 H SER A 12 79.151 -12.188 5.137 1.00 0.00 H new ATOM 0 HA SER A 12 80.419 -14.861 5.004 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.460 -13.594 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.262 -15.138 2.826 1.00 0.00 H new ATOM 0 HG SER A 12 77.142 -15.374 3.770 1.00 0.00 H new ATOM 234 N ARG A 13 81.664 -14.075 2.731 1.00 0.00 N ATOM 235 CA ARG A 13 82.722 -13.548 1.874 1.00 0.00 C ATOM 236 C ARG A 13 82.276 -13.518 0.420 1.00 0.00 C ATOM 237 O ARG A 13 81.688 -14.477 -0.083 1.00 0.00 O ATOM 238 CB ARG A 13 83.978 -14.411 1.999 1.00 0.00 C ATOM 239 CG ARG A 13 84.977 -13.765 2.961 1.00 0.00 C ATOM 240 CD ARG A 13 84.381 -13.726 4.366 1.00 0.00 C ATOM 241 NE ARG A 13 83.903 -15.048 4.750 1.00 0.00 N ATOM 242 CZ ARG A 13 84.738 -15.969 5.216 1.00 0.00 C ATOM 243 NH1 ARG A 13 86.008 -15.696 5.336 1.00 0.00 N ATOM 244 NH2 ARG A 13 84.290 -17.147 5.555 1.00 0.00 N ATOM 0 H ARG A 13 81.409 -15.044 2.543 1.00 0.00 H new ATOM 0 HA ARG A 13 82.943 -12.530 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.710 -15.405 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.438 -14.539 1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.910 -14.329 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 13 85.217 -12.755 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 13 85.132 -13.383 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 13 83.559 -13.011 4.400 1.00 0.00 H new ATOM 0 HE ARG A 13 82.911 -15.269 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 13 86.359 -14.775 5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 13 86.650 -16.403 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 13 83.297 -17.361 5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 13 84.933 -17.854 5.913 1.00 0.00 H new ATOM 258 N ALA A 14 82.563 -12.410 -0.248 1.00 0.00 N ATOM 259 CA ALA A 14 82.190 -12.251 -1.649 1.00 0.00 C ATOM 260 C ALA A 14 82.958 -13.227 -2.524 1.00 0.00 C ATOM 261 O ALA A 14 84.057 -13.651 -2.174 1.00 0.00 O ATOM 262 CB ALA A 14 82.474 -10.825 -2.098 1.00 0.00 C ATOM 0 H ALA A 14 83.051 -11.610 0.154 1.00 0.00 H new ATOM 0 HA ALA A 14 81.125 -12.460 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.194 -10.711 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.895 -10.130 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.537 -10.612 -1.981 1.00 0.00 H new ATOM 268 N LYS A 15 82.370 -13.596 -3.663 1.00 0.00 N ATOM 269 CA LYS A 15 83.015 -14.530 -4.572 1.00 0.00 C ATOM 270 C LYS A 15 83.778 -13.790 -5.665 1.00 0.00 C ATOM 271 O LYS A 15 84.884 -14.181 -6.036 1.00 0.00 O ATOM 272 CB LYS A 15 81.960 -15.432 -5.210 1.00 0.00 C ATOM 273 CG LYS A 15 82.638 -16.405 -6.179 1.00 0.00 C ATOM 274 CD LYS A 15 81.821 -17.697 -6.263 1.00 0.00 C ATOM 275 CE LYS A 15 80.424 -17.385 -6.803 1.00 0.00 C ATOM 276 NZ LYS A 15 79.558 -16.907 -5.687 1.00 0.00 N ATOM 0 H LYS A 15 81.457 -13.263 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 15 83.724 -15.131 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.424 -15.985 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 15 81.223 -14.829 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 15 82.723 -15.951 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.651 -16.624 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.322 -18.414 -6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 15 81.747 -18.157 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 15 80.484 -16.625 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 15 79.991 -18.275 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 78.615 -17.338 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 79.983 -17.177 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.471 -15.872 -5.734 1.00 0.00 H new ATOM 290 N LYS A 16 83.178 -12.717 -6.175 1.00 0.00 N ATOM 291 CA LYS A 16 83.809 -11.924 -7.228 1.00 0.00 C ATOM 292 C LYS A 16 83.429 -10.452 -7.093 1.00 0.00 C ATOM 293 O LYS A 16 82.351 -10.119 -6.603 1.00 0.00 O ATOM 294 CB LYS A 16 83.372 -12.441 -8.602 1.00 0.00 C ATOM 295 CG LYS A 16 84.110 -11.675 -9.704 1.00 0.00 C ATOM 296 CD LYS A 16 83.679 -12.201 -11.071 1.00 0.00 C ATOM 297 CE LYS A 16 84.424 -11.435 -12.166 1.00 0.00 C ATOM 298 NZ LYS A 16 83.998 -11.941 -13.502 1.00 0.00 N ATOM 0 H LYS A 16 82.263 -12.378 -5.879 1.00 0.00 H new ATOM 0 HA LYS A 16 84.890 -12.018 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.583 -13.507 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.295 -12.320 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.893 -10.610 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.187 -11.790 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 16 83.893 -13.267 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 16 82.603 -12.082 -11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 16 84.215 -10.368 -12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 16 85.500 -11.559 -12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 84.504 -11.421 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 84.219 -12.955 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 82.974 -11.801 -13.616 1.00 0.00 H new ATOM 312 N TRP A 17 84.329 -9.579 -7.527 1.00 0.00 N ATOM 313 CA TRP A 17 84.093 -8.142 -7.448 1.00 0.00 C ATOM 314 C TRP A 17 82.769 -7.783 -8.100 1.00 0.00 C ATOM 315 O TRP A 17 82.442 -8.277 -9.178 1.00 0.00 O ATOM 316 CB TRP A 17 85.229 -7.386 -8.141 1.00 0.00 C ATOM 317 CG TRP A 17 85.002 -5.917 -7.999 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.132 -5.223 -6.848 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.622 -4.949 -9.020 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.857 -3.895 -7.093 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.533 -3.675 -8.417 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.345 -5.054 -10.393 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.183 -2.540 -9.150 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.994 -3.914 -11.135 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.912 -2.660 -10.514 1.00 0.00 C ATOM 0 H TRP A 17 85.226 -9.839 -7.936 1.00 0.00 H new ATOM 0 HA TRP A 17 84.057 -7.856 -6.397 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.187 -7.662 -7.700 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.273 -7.659 -9.195 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.407 -5.641 -5.891 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.889 -3.164 -6.383 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.402 -6.016 -10.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 84.122 -1.577 -8.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.786 -4.004 -12.191 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.640 -1.788 -11.090 1.00 0.00 H new ATOM 336 N SER A 18 82.008 -6.926 -7.429 1.00 0.00 N ATOM 337 CA SER A 18 80.714 -6.507 -7.948 1.00 0.00 C ATOM 338 C SER A 18 80.234 -5.248 -7.235 1.00 0.00 C ATOM 339 O SER A 18 80.715 -4.916 -6.151 1.00 0.00 O ATOM 340 CB SER A 18 79.686 -7.626 -7.765 1.00 0.00 C ATOM 341 OG SER A 18 80.322 -8.884 -7.956 1.00 0.00 O ATOM 0 H SER A 18 82.263 -6.512 -6.532 1.00 0.00 H new ATOM 0 HA SER A 18 80.824 -6.290 -9.010 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.249 -7.574 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 18 78.870 -7.506 -8.478 1.00 0.00 H new ATOM 0 HG SER A 18 80.930 -8.830 -8.723 1.00 0.00 H new ATOM 347 N GLU A 19 79.285 -4.553 -7.847 1.00 0.00 N ATOM 348 CA GLU A 19 78.757 -3.331 -7.264 1.00 0.00 C ATOM 349 C GLU A 19 78.443 -3.539 -5.792 1.00 0.00 C ATOM 350 O GLU A 19 78.623 -2.632 -4.977 1.00 0.00 O ATOM 351 CB GLU A 19 77.488 -2.901 -8.008 1.00 0.00 C ATOM 352 CG GLU A 19 76.991 -1.562 -7.460 1.00 0.00 C ATOM 353 CD GLU A 19 75.784 -1.084 -8.259 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.359 -1.810 -9.143 1.00 0.00 O ATOM 355 OE2 GLU A 19 75.306 0.003 -7.981 1.00 0.00 O ATOM 0 H GLU A 19 78.868 -4.813 -8.741 1.00 0.00 H new ATOM 0 HA GLU A 19 79.510 -2.549 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.694 -2.813 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 19 76.714 -3.660 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.722 -1.668 -6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 19 77.788 -0.820 -7.512 1.00 0.00 H new ATOM 362 N GLU A 20 77.985 -4.736 -5.454 1.00 0.00 N ATOM 363 CA GLU A 20 77.667 -5.048 -4.070 1.00 0.00 C ATOM 364 C GLU A 20 78.940 -5.056 -3.220 1.00 0.00 C ATOM 365 O GLU A 20 78.963 -4.526 -2.116 1.00 0.00 O ATOM 366 CB GLU A 20 76.984 -6.416 -3.993 1.00 0.00 C ATOM 367 CG GLU A 20 76.543 -6.689 -2.555 1.00 0.00 C ATOM 368 CD GLU A 20 75.814 -8.025 -2.477 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.688 -8.670 -3.504 1.00 0.00 O ATOM 370 OE2 GLU A 20 75.392 -8.384 -1.389 1.00 0.00 O ATOM 0 H GLU A 20 77.827 -5.499 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 20 76.992 -4.284 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 20 76.122 -6.441 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 20 77.669 -7.195 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 20 77.411 -6.700 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.890 -5.888 -2.208 1.00 0.00 H new ATOM 377 N ILE A 21 79.996 -5.665 -3.745 1.00 0.00 N ATOM 378 CA ILE A 21 81.259 -5.741 -3.010 1.00 0.00 C ATOM 379 C ILE A 21 81.906 -4.371 -2.956 1.00 0.00 C ATOM 380 O ILE A 21 82.168 -3.848 -1.869 1.00 0.00 O ATOM 381 CB ILE A 21 82.203 -6.743 -3.690 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.392 -7.948 -4.181 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.273 -7.217 -2.699 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.471 -8.446 -3.067 1.00 0.00 C ATOM 0 H ILE A 21 80.008 -6.109 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 21 81.060 -6.080 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 21 82.693 -6.257 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.802 -7.669 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.065 -8.747 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.937 -7.927 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.851 -6.361 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.792 -7.700 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.898 -9.302 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.069 -8.743 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.788 -7.648 -2.776 1.00 0.00 H new ATOM 396 N GLU A 22 82.186 -3.808 -4.124 1.00 0.00 N ATOM 397 CA GLU A 22 82.825 -2.506 -4.194 1.00 0.00 C ATOM 398 C GLU A 22 82.255 -1.574 -3.141 1.00 0.00 C ATOM 399 O GLU A 22 82.994 -0.957 -2.379 1.00 0.00 O ATOM 400 CB GLU A 22 82.601 -1.898 -5.583 1.00 0.00 C ATOM 401 CG GLU A 22 82.788 -0.379 -5.531 1.00 0.00 C ATOM 402 CD GLU A 22 81.484 0.301 -5.114 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.433 -0.181 -5.502 1.00 0.00 O ATOM 404 OE2 GLU A 22 81.556 1.290 -4.408 1.00 0.00 O ATOM 0 H GLU A 22 81.981 -4.231 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 22 83.892 -2.633 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.301 -2.334 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.597 -2.136 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.580 -0.127 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.102 -0.011 -6.508 1.00 0.00 H new ATOM 411 N ASN A 23 80.935 -1.469 -3.109 1.00 0.00 N ATOM 412 CA ASN A 23 80.274 -0.599 -2.149 1.00 0.00 C ATOM 413 C ASN A 23 80.595 -1.009 -0.716 1.00 0.00 C ATOM 414 O ASN A 23 80.965 -0.173 0.105 1.00 0.00 O ATOM 415 CB ASN A 23 78.766 -0.678 -2.344 1.00 0.00 C ATOM 416 CG ASN A 23 78.062 0.054 -1.204 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.927 -0.552 -0.058 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 77.636 1.201 -1.356 1.00 0.00 N flip ATOM 0 H ASN A 23 80.304 -1.972 -3.733 1.00 0.00 H new ATOM 0 HA ASN A 23 80.634 0.416 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.489 -0.234 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.447 -1.720 -2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.744 1.670 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.175 1.681 -0.583 1.00 0.00 H new ATOM 425 N LEU A 24 80.450 -2.298 -0.408 1.00 0.00 N ATOM 426 CA LEU A 24 80.720 -2.773 0.937 1.00 0.00 C ATOM 427 C LEU A 24 82.144 -2.451 1.331 1.00 0.00 C ATOM 428 O LEU A 24 82.382 -2.022 2.451 1.00 0.00 O ATOM 429 CB LEU A 24 80.496 -4.276 0.995 1.00 0.00 C ATOM 430 CG LEU A 24 78.995 -4.565 0.906 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.793 -6.053 0.666 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.292 -4.164 2.212 1.00 0.00 C ATOM 0 H LEU A 24 80.151 -3.018 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 24 80.045 -2.276 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.022 -4.766 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.902 -4.681 1.922 1.00 0.00 H new ATOM 0 HG LEU A 24 78.569 -3.987 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.727 -6.270 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.279 -6.340 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.228 -6.617 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.226 -4.376 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.713 -4.732 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.437 -3.099 2.391 1.00 0.00 H new ATOM 444 N TYR A 25 83.090 -2.628 0.414 1.00 0.00 N ATOM 445 CA TYR A 25 84.475 -2.315 0.711 1.00 0.00 C ATOM 446 C TYR A 25 84.611 -0.852 1.102 1.00 0.00 C ATOM 447 O TYR A 25 85.224 -0.533 2.118 1.00 0.00 O ATOM 448 CB TYR A 25 85.326 -2.596 -0.529 1.00 0.00 C ATOM 449 CG TYR A 25 86.638 -1.856 -0.425 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.638 -2.312 0.437 1.00 0.00 C ATOM 451 CD2 TYR A 25 86.848 -0.705 -1.197 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.851 -1.619 0.531 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.061 -0.012 -1.104 1.00 0.00 C ATOM 454 CZ TYR A 25 89.062 -0.469 -0.239 1.00 0.00 C ATOM 455 OH TYR A 25 90.258 0.214 -0.146 1.00 0.00 O ATOM 0 H TYR A 25 82.922 -2.982 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 25 84.814 -2.932 1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.508 -3.667 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.792 -2.284 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.476 -3.199 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.074 -0.353 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.624 -1.972 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.224 0.874 -1.699 1.00 0.00 H new ATOM 0 HH TYR A 25 90.241 0.988 -0.747 1.00 0.00 H new ATOM 465 N ARG A 26 84.041 0.037 0.290 1.00 0.00 N ATOM 466 CA ARG A 26 84.121 1.466 0.574 1.00 0.00 C ATOM 467 C ARG A 26 83.449 1.768 1.914 1.00 0.00 C ATOM 468 O ARG A 26 83.978 2.495 2.743 1.00 0.00 O ATOM 469 CB ARG A 26 83.417 2.251 -0.531 1.00 0.00 C ATOM 470 CG ARG A 26 84.182 2.089 -1.846 1.00 0.00 C ATOM 471 CD ARG A 26 83.576 3.009 -2.907 1.00 0.00 C ATOM 472 NE ARG A 26 84.201 2.764 -4.202 1.00 0.00 N ATOM 473 CZ ARG A 26 84.055 3.619 -5.210 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.354 4.703 -5.045 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.621 3.381 -6.358 1.00 0.00 N ATOM 0 H ARG A 26 83.526 -0.203 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 26 85.170 1.760 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.394 1.895 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.358 3.305 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.235 2.331 -1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.137 1.052 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.502 2.839 -2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.716 4.051 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 26 84.760 1.922 -4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 26 82.918 4.896 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.241 5.360 -5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.179 2.537 -6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.507 4.039 -7.129 1.00 0.00 H new ATOM 489 N PHE A 27 82.269 1.215 2.130 1.00 0.00 N ATOM 490 CA PHE A 27 81.565 1.451 3.385 1.00 0.00 C ATOM 491 C PHE A 27 82.355 0.891 4.566 1.00 0.00 C ATOM 492 O PHE A 27 82.574 1.582 5.563 1.00 0.00 O ATOM 493 CB PHE A 27 80.191 0.786 3.322 1.00 0.00 C ATOM 494 CG PHE A 27 79.181 1.763 2.775 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.252 2.183 1.444 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.174 2.249 3.600 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.317 3.093 0.945 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.248 3.157 3.110 1.00 0.00 C ATOM 499 CZ PHE A 27 77.313 3.588 1.782 1.00 0.00 C ATOM 0 H PHE A 27 81.782 0.610 1.469 1.00 0.00 H new ATOM 0 HA PHE A 27 81.453 2.526 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.234 -0.101 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.890 0.455 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.031 1.803 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.112 1.918 4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.370 3.413 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.471 3.534 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.592 4.299 1.405 1.00 0.00 H new ATOM 509 N GLN A 28 82.769 -0.365 4.449 1.00 0.00 N ATOM 510 CA GLN A 28 83.522 -1.015 5.515 1.00 0.00 C ATOM 511 C GLN A 28 84.786 -0.238 5.834 1.00 0.00 C ATOM 512 O GLN A 28 85.077 0.029 6.998 1.00 0.00 O ATOM 513 CB GLN A 28 83.908 -2.436 5.087 1.00 0.00 C ATOM 514 CG GLN A 28 82.682 -3.349 5.139 1.00 0.00 C ATOM 515 CD GLN A 28 82.963 -4.645 4.387 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.116 -5.040 4.230 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.965 -5.329 3.909 1.00 0.00 N ATOM 0 H GLN A 28 82.597 -0.951 3.632 1.00 0.00 H new ATOM 0 HA GLN A 28 82.891 -1.050 6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.318 -2.422 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.688 -2.823 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.426 -3.569 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.823 -2.843 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.010 -4.998 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.138 -6.197 3.402 1.00 0.00 H new ATOM 526 N GLN A 29 85.529 0.141 4.800 1.00 0.00 N ATOM 527 CA GLN A 29 86.760 0.891 5.007 1.00 0.00 C ATOM 528 C GLN A 29 86.452 2.235 5.668 1.00 0.00 C ATOM 529 O GLN A 29 87.315 2.839 6.305 1.00 0.00 O ATOM 530 CB GLN A 29 87.471 1.112 3.661 1.00 0.00 C ATOM 531 CG GLN A 29 87.055 2.449 3.038 1.00 0.00 C ATOM 532 CD GLN A 29 87.900 3.580 3.617 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.046 3.364 4.004 1.00 0.00 O ATOM 534 NE2 GLN A 29 87.388 4.775 3.723 1.00 0.00 N ATOM 0 H GLN A 29 85.304 -0.055 3.825 1.00 0.00 H new ATOM 0 HA GLN A 29 87.417 0.321 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 29 88.551 1.095 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.229 0.297 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.178 2.409 1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 29 85.999 2.637 3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 29 86.437 4.953 3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 29 87.939 5.532 4.128 1.00 0.00 H new ATOM 543 N ALA A 30 85.214 2.701 5.495 1.00 0.00 N ATOM 544 CA ALA A 30 84.805 3.975 6.072 1.00 0.00 C ATOM 545 C ALA A 30 84.276 3.761 7.485 1.00 0.00 C ATOM 546 O ALA A 30 84.158 4.709 8.265 1.00 0.00 O ATOM 547 CB ALA A 30 83.720 4.628 5.201 1.00 0.00 C ATOM 0 H ALA A 30 84.487 2.219 4.966 1.00 0.00 H new ATOM 0 HA ALA A 30 85.671 4.636 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.423 5.579 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.113 4.800 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.854 3.968 5.143 1.00 0.00 H new ATOM 553 N GLY A 31 83.950 2.509 7.805 1.00 0.00 N ATOM 554 CA GLY A 31 83.420 2.172 9.122 1.00 0.00 C ATOM 555 C GLY A 31 81.903 1.990 9.084 1.00 0.00 C ATOM 556 O GLY A 31 81.274 1.734 10.112 1.00 0.00 O ATOM 0 H GLY A 31 84.044 1.715 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.889 1.256 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.676 2.959 9.831 1.00 0.00 H new ATOM 560 N TYR A 32 81.320 2.140 7.904 1.00 0.00 N ATOM 561 CA TYR A 32 79.883 2.018 7.746 1.00 0.00 C ATOM 562 C TYR A 32 79.532 0.617 7.256 1.00 0.00 C ATOM 563 O TYR A 32 80.312 -0.013 6.544 1.00 0.00 O ATOM 564 CB TYR A 32 79.380 3.052 6.730 1.00 0.00 C ATOM 565 CG TYR A 32 79.632 4.451 7.239 1.00 0.00 C ATOM 566 CD1 TYR A 32 80.935 4.877 7.503 1.00 0.00 C ATOM 567 CD2 TYR A 32 78.566 5.319 7.455 1.00 0.00 C ATOM 568 CE1 TYR A 32 81.170 6.155 7.981 1.00 0.00 C ATOM 569 CE2 TYR A 32 78.805 6.611 7.930 1.00 0.00 C ATOM 570 CZ TYR A 32 80.109 7.028 8.195 1.00 0.00 C ATOM 571 OH TYR A 32 80.348 8.299 8.672 1.00 0.00 O ATOM 0 H TYR A 32 81.823 2.347 7.041 1.00 0.00 H new ATOM 0 HA TYR A 32 79.406 2.195 8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.885 2.909 5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.314 2.909 6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 32 81.764 4.206 7.333 1.00 0.00 H new ATOM 0 HD2 TYR A 32 77.555 4.994 7.256 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.181 6.475 8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 32 77.979 7.288 8.092 1.00 0.00 H new ATOM 0 HH TYR A 32 81.041 8.728 8.127 1.00 0.00 H new ATOM 581 N ARG A 33 78.366 0.133 7.656 1.00 0.00 N ATOM 582 CA ARG A 33 77.925 -1.199 7.254 1.00 0.00 C ATOM 583 C ARG A 33 77.284 -1.161 5.871 1.00 0.00 C ATOM 584 O ARG A 33 77.498 -2.053 5.052 1.00 0.00 O ATOM 585 CB ARG A 33 76.922 -1.752 8.267 1.00 0.00 C ATOM 586 CG ARG A 33 76.019 -0.620 8.761 1.00 0.00 C ATOM 587 CD ARG A 33 76.527 -0.110 10.118 1.00 0.00 C ATOM 588 NE ARG A 33 76.589 -1.207 11.074 1.00 0.00 N ATOM 589 CZ ARG A 33 77.218 -1.072 12.234 1.00 0.00 C ATOM 590 NH1 ARG A 33 77.793 0.060 12.536 1.00 0.00 N ATOM 591 NH2 ARG A 33 77.260 -2.071 13.070 1.00 0.00 N ATOM 0 H ARG A 33 77.711 0.636 8.254 1.00 0.00 H new ATOM 0 HA ARG A 33 78.799 -1.849 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.321 -2.537 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.449 -2.204 9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.009 0.194 8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 33 74.993 -0.975 8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.514 0.337 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 33 75.866 0.672 10.492 1.00 0.00 H new ATOM 0 HE ARG A 33 76.141 -2.095 10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.759 0.840 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 33 78.277 0.164 13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.810 -2.955 12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 33 77.743 -1.969 13.962 1.00 0.00 H new ATOM 605 N ASP A 34 76.493 -0.122 5.618 1.00 0.00 N ATOM 606 CA ASP A 34 75.826 0.026 4.332 1.00 0.00 C ATOM 607 C ASP A 34 75.190 1.409 4.219 1.00 0.00 C ATOM 608 O ASP A 34 75.274 2.216 5.152 1.00 0.00 O ATOM 609 CB ASP A 34 74.763 -1.058 4.172 1.00 0.00 C ATOM 610 CG ASP A 34 73.889 -1.110 5.416 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.436 -1.060 6.505 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.684 -1.199 5.263 1.00 0.00 O ATOM 0 H ASP A 34 76.300 0.626 6.284 1.00 0.00 H new ATOM 0 HA ASP A 34 76.565 -0.080 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.150 -0.853 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.238 -2.025 4.010 1.00 0.00 H new ATOM 617 N GLU A 35 74.558 1.672 3.074 1.00 0.00 N ATOM 618 CA GLU A 35 73.924 2.966 2.831 1.00 0.00 C ATOM 619 C GLU A 35 73.111 3.401 4.034 1.00 0.00 C ATOM 620 O GLU A 35 72.978 4.596 4.299 1.00 0.00 O ATOM 621 CB GLU A 35 73.005 2.875 1.619 1.00 0.00 C ATOM 622 CG GLU A 35 73.845 2.743 0.345 1.00 0.00 C ATOM 623 CD GLU A 35 72.939 2.462 -0.847 1.00 0.00 C ATOM 624 OE1 GLU A 35 71.817 2.036 -0.626 1.00 0.00 O ATOM 625 OE2 GLU A 35 73.377 2.683 -1.964 1.00 0.00 O ATOM 0 H GLU A 35 74.472 1.008 2.304 1.00 0.00 H new ATOM 0 HA GLU A 35 74.710 3.699 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.340 2.017 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.375 3.762 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 35 74.410 3.659 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.571 1.938 0.459 1.00 0.00 H new ATOM 632 N ILE A 36 72.562 2.437 4.758 1.00 0.00 N ATOM 633 CA ILE A 36 71.747 2.755 5.924 1.00 0.00 C ATOM 634 C ILE A 36 72.520 3.603 6.925 1.00 0.00 C ATOM 635 O ILE A 36 72.009 4.615 7.409 1.00 0.00 O ATOM 636 CB ILE A 36 71.314 1.456 6.617 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.312 0.708 5.732 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.667 1.782 7.967 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.068 -0.700 6.289 1.00 0.00 C ATOM 0 H ILE A 36 72.663 1.441 4.564 1.00 0.00 H new ATOM 0 HA ILE A 36 70.878 3.317 5.582 1.00 0.00 H new ATOM 0 HB ILE A 36 72.189 0.827 6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.372 1.258 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.692 0.644 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.361 0.857 8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.385 2.306 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.794 2.415 7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.354 -1.224 5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.008 -1.251 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.668 -0.627 7.300 1.00 0.00 H new ATOM 651 N GLU A 37 73.735 3.196 7.243 1.00 0.00 N ATOM 652 CA GLU A 37 74.547 3.940 8.195 1.00 0.00 C ATOM 653 C GLU A 37 74.963 5.279 7.628 1.00 0.00 C ATOM 654 O GLU A 37 74.980 6.281 8.338 1.00 0.00 O ATOM 655 CB GLU A 37 75.796 3.138 8.548 1.00 0.00 C ATOM 656 CG GLU A 37 76.574 3.825 9.677 1.00 0.00 C ATOM 657 CD GLU A 37 75.754 3.785 10.962 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.859 2.960 11.042 1.00 0.00 O ATOM 659 OE2 GLU A 37 76.032 4.581 11.842 1.00 0.00 O ATOM 0 H GLU A 37 74.181 2.362 6.861 1.00 0.00 H new ATOM 0 HA GLU A 37 73.946 4.110 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.514 2.130 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.432 3.038 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.531 3.326 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.793 4.858 9.405 1.00 0.00 H new ATOM 666 N TYR A 38 75.335 5.290 6.359 1.00 0.00 N ATOM 667 CA TYR A 38 75.788 6.525 5.747 1.00 0.00 C ATOM 668 C TYR A 38 74.717 7.617 5.855 1.00 0.00 C ATOM 669 O TYR A 38 74.993 8.746 6.267 1.00 0.00 O ATOM 670 CB TYR A 38 76.061 6.311 4.255 1.00 0.00 C ATOM 671 CG TYR A 38 76.405 7.627 3.575 1.00 0.00 C ATOM 672 CD1 TYR A 38 76.884 8.733 4.313 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.295 7.727 2.183 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.210 9.904 3.671 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.619 8.931 1.545 1.00 0.00 C ATOM 676 CZ TYR A 38 77.069 10.019 2.297 1.00 0.00 C ATOM 677 OH TYR A 38 77.374 11.210 1.685 1.00 0.00 O ATOM 0 H TYR A 38 75.333 4.476 5.744 1.00 0.00 H new ATOM 0 HA TYR A 38 76.694 6.828 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 38 76.882 5.606 4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.185 5.869 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 38 76.994 8.658 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.962 6.879 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 38 77.580 10.742 4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 38 76.521 9.018 0.473 1.00 0.00 H new ATOM 0 HH TYR A 38 77.224 11.130 0.720 1.00 0.00 H new ATOM 687 N LYS A 39 73.494 7.287 5.464 1.00 0.00 N ATOM 688 CA LYS A 39 72.410 8.258 5.508 1.00 0.00 C ATOM 689 C LYS A 39 72.123 8.709 6.930 1.00 0.00 C ATOM 690 O LYS A 39 71.873 9.885 7.176 1.00 0.00 O ATOM 691 CB LYS A 39 71.143 7.645 4.915 1.00 0.00 C ATOM 692 CG LYS A 39 71.317 7.454 3.406 1.00 0.00 C ATOM 693 CD LYS A 39 70.049 6.833 2.818 1.00 0.00 C ATOM 694 CE LYS A 39 70.173 6.762 1.295 1.00 0.00 C ATOM 695 NZ LYS A 39 71.318 5.881 0.932 1.00 0.00 N ATOM 0 H LYS A 39 73.229 6.365 5.117 1.00 0.00 H new ATOM 0 HA LYS A 39 72.718 9.126 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.935 6.687 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.288 8.292 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.519 8.413 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.175 6.812 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 39 69.897 5.834 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.178 7.427 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.251 6.375 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.324 7.760 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.283 5.667 -0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 72.212 6.364 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 71.260 4.995 1.474 1.00 0.00 H new ATOM 709 N GLN A 40 72.149 7.769 7.862 1.00 0.00 N ATOM 710 CA GLN A 40 71.872 8.084 9.259 1.00 0.00 C ATOM 711 C GLN A 40 72.884 9.080 9.816 1.00 0.00 C ATOM 712 O GLN A 40 72.513 10.042 10.486 1.00 0.00 O ATOM 713 CB GLN A 40 71.918 6.802 10.096 1.00 0.00 C ATOM 714 CG GLN A 40 71.558 7.120 11.553 1.00 0.00 C ATOM 715 CD GLN A 40 71.573 5.845 12.385 1.00 0.00 C ATOM 716 OE1 GLN A 40 72.600 5.173 12.476 1.00 0.00 O ATOM 717 NE2 GLN A 40 70.486 5.469 13.001 1.00 0.00 N ATOM 0 H GLN A 40 72.357 6.787 7.681 1.00 0.00 H new ATOM 0 HA GLN A 40 70.880 8.533 9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.222 6.067 9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.913 6.359 10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.267 7.839 11.962 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.572 7.583 11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.636 6.028 12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.486 4.616 13.560 1.00 0.00 H new ATOM 726 N VAL A 41 74.153 8.846 9.535 1.00 0.00 N ATOM 727 CA VAL A 41 75.203 9.730 10.029 1.00 0.00 C ATOM 728 C VAL A 41 75.014 11.152 9.534 1.00 0.00 C ATOM 729 O VAL A 41 75.152 12.105 10.300 1.00 0.00 O ATOM 730 CB VAL A 41 76.568 9.211 9.579 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.634 10.269 9.841 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.932 7.935 10.356 1.00 0.00 C ATOM 0 H VAL A 41 74.483 8.061 8.974 1.00 0.00 H new ATOM 0 HA VAL A 41 75.147 9.740 11.118 1.00 0.00 H new ATOM 0 HB VAL A 41 76.521 8.987 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.605 9.894 9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.392 11.175 9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.668 10.495 10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.907 7.574 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.968 8.156 11.423 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.180 7.169 10.170 1.00 0.00 H new ATOM 742 N LYS A 42 74.696 11.291 8.262 1.00 0.00 N ATOM 743 CA LYS A 42 74.488 12.608 7.684 1.00 0.00 C ATOM 744 C LYS A 42 73.010 12.956 7.632 1.00 0.00 C ATOM 745 O LYS A 42 72.634 14.029 7.160 1.00 0.00 O ATOM 746 CB LYS A 42 75.092 12.660 6.282 1.00 0.00 C ATOM 747 CG LYS A 42 76.621 12.664 6.364 1.00 0.00 C ATOM 748 CD LYS A 42 77.109 13.949 7.038 1.00 0.00 C ATOM 749 CE LYS A 42 78.442 14.368 6.428 1.00 0.00 C ATOM 750 NZ LYS A 42 78.239 14.708 4.991 1.00 0.00 N ATOM 0 H LYS A 42 74.576 10.515 7.611 1.00 0.00 H new ATOM 0 HA LYS A 42 74.984 13.343 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.754 11.802 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.746 13.553 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.965 11.796 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.047 12.585 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.373 14.742 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.222 13.790 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.846 15.227 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.169 13.561 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.882 15.480 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.438 13.872 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.255 15.009 4.841 1.00 0.00 H new ATOM 764 N GLN A 43 72.175 12.053 8.122 1.00 0.00 N ATOM 765 CA GLN A 43 70.739 12.287 8.123 1.00 0.00 C ATOM 766 C GLN A 43 70.266 12.784 6.760 1.00 0.00 C ATOM 767 O GLN A 43 69.561 13.789 6.669 1.00 0.00 O ATOM 768 CB GLN A 43 70.376 13.309 9.196 1.00 0.00 C ATOM 769 CG GLN A 43 70.548 12.679 10.578 1.00 0.00 C ATOM 770 CD GLN A 43 70.266 13.716 11.659 1.00 0.00 C ATOM 771 OE1 GLN A 43 70.102 14.966 11.324 1.00 0.00 O flip ATOM 772 NE2 GLN A 43 70.197 13.378 12.841 1.00 0.00 N flip ATOM 0 H GLN A 43 72.463 11.159 8.521 1.00 0.00 H new ATOM 0 HA GLN A 43 70.242 11.341 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.011 14.190 9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.347 13.643 9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 43 69.870 11.832 10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.561 12.293 10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.326 12.400 13.100 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.011 14.076 13.561 1.00 0.00 H new ATOM 781 N VAL A 44 70.652 12.071 5.706 1.00 0.00 N ATOM 782 CA VAL A 44 70.261 12.442 4.345 1.00 0.00 C ATOM 783 C VAL A 44 69.448 11.325 3.704 1.00 0.00 C ATOM 784 O VAL A 44 69.038 10.378 4.376 1.00 0.00 O ATOM 785 CB VAL A 44 71.499 12.728 3.494 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.183 13.999 3.997 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.468 11.552 3.603 1.00 0.00 C ATOM 0 H VAL A 44 71.233 11.235 5.765 1.00 0.00 H new ATOM 0 HA VAL A 44 69.650 13.343 4.399 1.00 0.00 H new ATOM 0 HB VAL A 44 71.203 12.864 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.065 14.202 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.491 14.838 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.481 13.865 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.352 11.752 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.763 11.419 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.981 10.645 3.245 1.00 0.00 H new ATOM 797 N ALA A 45 69.202 11.451 2.405 1.00 0.00 N ATOM 798 CA ALA A 45 68.425 10.450 1.683 1.00 0.00 C ATOM 799 C ALA A 45 68.924 10.311 0.250 1.00 0.00 C ATOM 800 O ALA A 45 68.151 10.016 -0.661 1.00 0.00 O ATOM 801 CB ALA A 45 66.953 10.852 1.673 1.00 0.00 C ATOM 0 H ALA A 45 69.527 12.231 1.833 1.00 0.00 H new ATOM 0 HA ALA A 45 68.542 9.491 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.375 10.102 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.588 10.923 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.843 11.819 1.181 1.00 0.00 H new ATOM 807 N MET A 46 70.218 10.531 0.056 1.00 0.00 N ATOM 808 CA MET A 46 70.810 10.428 -1.272 1.00 0.00 C ATOM 809 C MET A 46 72.323 10.285 -1.177 1.00 0.00 C ATOM 810 O MET A 46 72.951 10.873 -0.295 1.00 0.00 O ATOM 811 CB MET A 46 70.457 11.673 -2.089 1.00 0.00 C ATOM 812 CG MET A 46 70.892 12.925 -1.323 1.00 0.00 C ATOM 813 SD MET A 46 70.551 14.394 -2.322 1.00 0.00 S ATOM 814 CE MET A 46 71.289 15.609 -1.203 1.00 0.00 C ATOM 0 H MET A 46 70.874 10.780 0.796 1.00 0.00 H new ATOM 0 HA MET A 46 70.410 9.542 -1.765 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.952 11.637 -3.059 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.384 11.704 -2.279 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.360 12.986 -0.374 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.955 12.870 -1.089 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.189 16.606 -1.631 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.779 15.574 -0.241 1.00 0.00 H new ATOM 0 HE3 MET A 46 72.345 15.379 -1.062 1.00 0.00 H new ATOM 824 N VAL A 47 72.903 9.510 -2.092 1.00 0.00 N ATOM 825 CA VAL A 47 74.348 9.303 -2.097 1.00 0.00 C ATOM 826 C VAL A 47 74.949 9.812 -3.402 1.00 0.00 C ATOM 827 O VAL A 47 74.448 9.501 -4.481 1.00 0.00 O ATOM 828 CB VAL A 47 74.663 7.815 -1.938 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.176 7.622 -1.817 1.00 0.00 C ATOM 830 CG2 VAL A 47 73.964 7.283 -0.690 1.00 0.00 C ATOM 0 H VAL A 47 72.400 9.020 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 47 74.781 9.856 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 47 74.306 7.267 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.400 6.561 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.664 8.002 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.544 8.165 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.186 6.222 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.319 7.827 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 47 72.887 7.419 -0.790 1.00 0.00 H new ATOM 840 N ASP A 48 76.010 10.605 -3.295 1.00 0.00 N ATOM 841 CA ASP A 48 76.662 11.156 -4.479 1.00 0.00 C ATOM 842 C ASP A 48 77.420 10.065 -5.226 1.00 0.00 C ATOM 843 O ASP A 48 78.236 9.353 -4.641 1.00 0.00 O ATOM 844 CB ASP A 48 77.634 12.261 -4.066 1.00 0.00 C ATOM 845 CG ASP A 48 76.860 13.488 -3.599 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.664 13.530 -3.830 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.476 14.369 -3.021 1.00 0.00 O ATOM 0 H ASP A 48 76.434 10.879 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 48 75.897 11.568 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.284 11.905 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.277 12.524 -4.906 1.00 0.00 H new ATOM 852 N ARG A 49 77.150 9.941 -6.524 1.00 0.00 N ATOM 853 CA ARG A 49 77.817 8.929 -7.335 1.00 0.00 C ATOM 854 C ARG A 49 78.109 9.471 -8.724 1.00 0.00 C ATOM 855 O ARG A 49 77.593 10.523 -9.111 1.00 0.00 O ATOM 856 CB ARG A 49 76.939 7.685 -7.459 1.00 0.00 C ATOM 857 CG ARG A 49 76.339 7.350 -6.096 1.00 0.00 C ATOM 858 CD ARG A 49 75.797 5.922 -6.102 1.00 0.00 C ATOM 859 NE ARG A 49 76.873 4.974 -5.841 1.00 0.00 N ATOM 860 CZ ARG A 49 76.630 3.670 -5.746 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.412 3.222 -5.886 1.00 0.00 N ATOM 862 NH2 ARG A 49 77.607 2.841 -5.505 1.00 0.00 N ATOM 0 H ARG A 49 76.482 10.522 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 49 78.754 8.665 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.145 7.858 -8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.529 6.845 -7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.096 7.457 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.538 8.051 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.019 5.817 -5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.336 5.704 -7.066 1.00 0.00 H new ATOM 0 HE ARG A 49 77.827 5.316 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 49 74.647 3.872 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.225 2.222 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 49 78.557 3.193 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 49 77.421 1.841 -5.432 1.00 0.00 H new ATOM 876 N TRP A 50 78.944 8.754 -9.471 1.00 0.00 N ATOM 877 CA TRP A 50 79.291 9.201 -10.816 1.00 0.00 C ATOM 878 C TRP A 50 78.436 8.481 -11.867 1.00 0.00 C ATOM 879 O TRP A 50 78.213 7.289 -11.769 1.00 0.00 O ATOM 880 CB TRP A 50 80.763 8.932 -11.108 1.00 0.00 C ATOM 881 CG TRP A 50 81.596 9.683 -10.126 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.898 9.257 -8.881 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.236 10.981 -10.285 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.680 10.213 -8.262 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.920 11.292 -9.088 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.292 11.910 -11.342 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.634 12.482 -8.941 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.009 13.109 -11.197 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.679 13.393 -9.999 1.00 0.00 C ATOM 0 H TRP A 50 79.384 7.882 -9.177 1.00 0.00 H new ATOM 0 HA TRP A 50 79.099 10.273 -10.867 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.972 7.864 -11.040 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.008 9.241 -12.124 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.581 8.323 -8.441 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.037 10.131 -7.310 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.781 11.699 -12.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.148 12.697 -8.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.044 13.816 -12.013 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.230 14.316 -9.894 1.00 0.00 H new ATOM 900 N PRO A 51 77.966 9.169 -12.869 1.00 0.00 N ATOM 901 CA PRO A 51 77.108 8.556 -13.932 1.00 0.00 C ATOM 902 C PRO A 51 77.851 7.503 -14.750 1.00 0.00 C ATOM 903 O PRO A 51 77.237 6.585 -15.300 1.00 0.00 O ATOM 904 CB PRO A 51 76.717 9.753 -14.806 1.00 0.00 C ATOM 905 CG PRO A 51 77.775 10.770 -14.559 1.00 0.00 C ATOM 906 CD PRO A 51 78.208 10.592 -13.125 1.00 0.00 C ATOM 0 HA PRO A 51 76.254 8.025 -13.512 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.674 9.476 -15.859 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.732 10.134 -14.536 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.615 10.630 -15.239 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.393 11.777 -14.728 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.258 10.852 -12.987 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.632 11.225 -12.450 1.00 0.00 H new ATOM 914 N GLU A 52 79.166 7.653 -14.843 1.00 0.00 N ATOM 915 CA GLU A 52 79.965 6.718 -15.626 1.00 0.00 C ATOM 916 C GLU A 52 79.729 5.287 -15.162 1.00 0.00 C ATOM 917 O GLU A 52 79.421 4.411 -15.971 1.00 0.00 O ATOM 918 CB GLU A 52 81.449 7.053 -15.463 1.00 0.00 C ATOM 919 CG GLU A 52 81.778 8.331 -16.232 1.00 0.00 C ATOM 920 CD GLU A 52 83.258 8.670 -16.074 1.00 0.00 C ATOM 921 OE1 GLU A 52 84.051 7.747 -15.980 1.00 0.00 O ATOM 922 OE2 GLU A 52 83.576 9.847 -16.047 1.00 0.00 O ATOM 0 H GLU A 52 79.696 8.400 -14.394 1.00 0.00 H new ATOM 0 HA GLU A 52 79.671 6.806 -16.672 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.689 7.181 -14.407 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.060 6.229 -15.831 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.537 8.202 -17.287 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.167 9.155 -15.863 1.00 0.00 H new ATOM 929 N THR A 53 79.863 5.055 -13.863 1.00 0.00 N ATOM 930 CA THR A 53 79.649 3.724 -13.309 1.00 0.00 C ATOM 931 C THR A 53 78.569 3.747 -12.232 1.00 0.00 C ATOM 932 O THR A 53 77.876 2.754 -12.017 1.00 0.00 O ATOM 933 CB THR A 53 80.952 3.218 -12.707 1.00 0.00 C ATOM 934 OG1 THR A 53 81.493 4.238 -11.883 1.00 0.00 O ATOM 935 CG2 THR A 53 81.948 2.863 -13.814 1.00 0.00 C ATOM 0 H THR A 53 80.117 5.766 -13.177 1.00 0.00 H new ATOM 0 HA THR A 53 79.321 3.062 -14.111 1.00 0.00 H new ATOM 0 HB THR A 53 80.760 2.321 -12.118 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.481 3.944 -10.948 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.875 2.503 -13.368 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.524 2.085 -14.449 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.155 3.749 -14.415 1.00 0.00 H new ATOM 943 N GLY A 54 78.427 4.884 -11.557 1.00 0.00 N ATOM 944 CA GLY A 54 77.421 5.003 -10.502 1.00 0.00 C ATOM 945 C GLY A 54 77.979 4.590 -9.151 1.00 0.00 C ATOM 946 O GLY A 54 77.228 4.234 -8.244 1.00 0.00 O ATOM 0 H GLY A 54 78.984 5.723 -11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.066 6.032 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.560 4.381 -10.747 1.00 0.00 H new ATOM 950 N TYR A 55 79.300 4.640 -9.023 1.00 0.00 N ATOM 951 CA TYR A 55 79.945 4.274 -7.770 1.00 0.00 C ATOM 952 C TYR A 55 79.927 5.439 -6.794 1.00 0.00 C ATOM 953 O TYR A 55 79.791 6.596 -7.202 1.00 0.00 O ATOM 954 CB TYR A 55 81.392 3.824 -8.014 1.00 0.00 C ATOM 955 CG TYR A 55 81.418 2.444 -8.636 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.776 1.376 -8.011 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.080 2.235 -9.849 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.797 0.116 -8.594 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.097 0.963 -10.432 1.00 0.00 C ATOM 960 CZ TYR A 55 81.450 -0.096 -9.803 1.00 0.00 C ATOM 961 OH TYR A 55 81.457 -1.351 -10.367 1.00 0.00 O ATOM 0 H TYR A 55 79.939 4.928 -9.764 1.00 0.00 H new ATOM 0 HA TYR A 55 79.386 3.444 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 55 81.895 4.535 -8.670 1.00 0.00 H new ATOM 0 HB3 TYR A 55 81.941 3.816 -7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.262 1.529 -7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.580 3.058 -10.338 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.301 -0.708 -8.103 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.611 0.804 -11.368 1.00 0.00 H new ATOM 0 HH TYR A 55 82.222 -1.859 -10.024 1.00 0.00 H new ATOM 971 N VAL A 56 80.055 5.122 -5.502 1.00 0.00 N ATOM 972 CA VAL A 56 80.037 6.150 -4.471 1.00 0.00 C ATOM 973 C VAL A 56 81.117 7.190 -4.748 1.00 0.00 C ATOM 974 O VAL A 56 82.291 6.857 -4.897 1.00 0.00 O ATOM 975 CB VAL A 56 80.273 5.517 -3.097 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.240 6.603 -2.022 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.177 4.486 -2.814 1.00 0.00 C ATOM 0 H VAL A 56 80.171 4.171 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 56 79.062 6.637 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 56 81.246 5.025 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.408 6.152 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.021 7.337 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.268 7.096 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.345 4.035 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.204 4.977 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.201 3.710 -3.580 1.00 0.00 H new ATOM 987 N LYS A 57 80.710 8.452 -4.815 1.00 0.00 N ATOM 988 CA LYS A 57 81.650 9.536 -5.077 1.00 0.00 C ATOM 989 C LYS A 57 82.516 9.819 -3.856 1.00 0.00 C ATOM 990 O LYS A 57 83.736 9.947 -3.962 1.00 0.00 O ATOM 991 CB LYS A 57 80.882 10.802 -5.467 1.00 0.00 C ATOM 992 CG LYS A 57 81.850 11.984 -5.538 1.00 0.00 C ATOM 993 CD LYS A 57 81.306 13.037 -6.506 1.00 0.00 C ATOM 994 CE LYS A 57 82.158 14.304 -6.417 1.00 0.00 C ATOM 995 NZ LYS A 57 81.800 15.059 -5.184 1.00 0.00 N ATOM 0 H LYS A 57 79.742 8.749 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 57 82.302 9.232 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.392 10.661 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.098 11.004 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.981 12.420 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.831 11.644 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.318 12.650 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.268 13.267 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.216 14.043 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.996 14.926 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.195 16.020 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.765 15.114 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.190 14.571 -4.353 1.00 0.00 H new ATOM 1009 N LYS A 58 81.875 9.914 -2.700 1.00 0.00 N ATOM 1010 CA LYS A 58 82.595 10.184 -1.463 1.00 0.00 C ATOM 1011 C LYS A 58 81.834 9.645 -0.259 1.00 0.00 C ATOM 1012 O LYS A 58 80.609 9.520 -0.292 1.00 0.00 O ATOM 1013 CB LYS A 58 82.799 11.695 -1.307 1.00 0.00 C ATOM 1014 CG LYS A 58 81.436 12.398 -1.288 1.00 0.00 C ATOM 1015 CD LYS A 58 81.640 13.907 -1.140 1.00 0.00 C ATOM 1016 CE LYS A 58 80.280 14.606 -1.139 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.474 16.069 -0.935 1.00 0.00 N ATOM 0 H LYS A 58 80.866 9.809 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 58 83.562 9.683 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.341 11.906 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.405 12.077 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.891 12.183 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.832 12.020 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.173 14.124 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.254 14.284 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.765 14.425 -2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.650 14.198 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.549 16.545 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.948 16.233 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 81.060 16.452 -1.704 1.00 0.00 H new ATOM 1031 N LEU A 59 82.570 9.332 0.802 1.00 0.00 N ATOM 1032 CA LEU A 59 81.947 8.816 2.011 1.00 0.00 C ATOM 1033 C LEU A 59 82.723 9.247 3.250 1.00 0.00 C ATOM 1034 O LEU A 59 83.944 9.096 3.313 1.00 0.00 O ATOM 1035 CB LEU A 59 81.882 7.282 1.958 1.00 0.00 C ATOM 1036 CG LEU A 59 80.583 6.778 2.585 1.00 0.00 C ATOM 1037 CD1 LEU A 59 80.470 7.308 4.016 1.00 0.00 C ATOM 1038 CD2 LEU A 59 79.388 7.258 1.767 1.00 0.00 C ATOM 0 H LEU A 59 83.585 9.425 0.848 1.00 0.00 H new ATOM 0 HA LEU A 59 80.938 9.223 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 59 81.948 6.945 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 59 82.736 6.858 2.486 1.00 0.00 H new ATOM 0 HG LEU A 59 80.591 5.688 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.544 6.949 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.318 6.955 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.468 8.398 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 59 78.466 6.894 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 59 79.376 8.348 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 59 79.467 6.876 0.749 1.00 0.00 H new ATOM 1050 N GLN A 60 82.003 9.776 4.237 1.00 0.00 N ATOM 1051 CA GLN A 60 82.634 10.221 5.471 1.00 0.00 C ATOM 1052 C GLN A 60 82.940 9.022 6.364 1.00 0.00 C ATOM 1053 O GLN A 60 82.102 8.140 6.550 1.00 0.00 O ATOM 1054 CB GLN A 60 81.713 11.187 6.216 1.00 0.00 C ATOM 1055 CG GLN A 60 82.499 11.876 7.334 1.00 0.00 C ATOM 1056 CD GLN A 60 81.534 12.426 8.379 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.513 11.804 8.670 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.799 13.559 8.971 1.00 0.00 N ATOM 0 H GLN A 60 80.992 9.905 4.205 1.00 0.00 H new ATOM 0 HA GLN A 60 83.564 10.732 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.312 11.930 5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 60 80.862 10.648 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.187 11.168 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.103 12.684 6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.645 14.075 8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.160 13.928 9.675 1.00 0.00 H new ATOM 1067 N ARG A 61 84.153 8.998 6.903 1.00 0.00 N ATOM 1068 CA ARG A 61 84.578 7.904 7.765 1.00 0.00 C ATOM 1069 C ARG A 61 83.972 8.037 9.159 1.00 0.00 C ATOM 1070 O ARG A 61 83.428 9.079 9.525 1.00 0.00 O ATOM 1071 CB ARG A 61 86.100 7.864 7.875 1.00 0.00 C ATOM 1072 CG ARG A 61 86.716 7.905 6.474 1.00 0.00 C ATOM 1073 CD ARG A 61 88.011 7.087 6.454 1.00 0.00 C ATOM 1074 NE ARG A 61 88.973 7.638 7.400 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.128 7.025 7.639 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.415 5.910 7.023 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.972 7.536 8.492 1.00 0.00 N ATOM 0 H ARG A 61 84.857 9.722 6.759 1.00 0.00 H new ATOM 0 HA ARG A 61 84.226 6.976 7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.455 8.710 8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.414 6.959 8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.011 7.506 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 61 86.922 8.936 6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.797 6.048 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.435 7.090 5.450 1.00 0.00 H new ATOM 0 HE ARG A 61 88.757 8.508 7.886 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.753 5.509 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.301 5.440 7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.746 8.405 8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 61 91.859 7.066 8.676 1.00 0.00 H new ATOM 1091 N ARG A 62 84.071 6.964 9.932 1.00 0.00 N ATOM 1092 CA ARG A 62 83.529 6.966 11.282 1.00 0.00 C ATOM 1093 C ARG A 62 84.311 7.933 12.167 1.00 0.00 C ATOM 1094 O ARG A 62 83.938 8.187 13.313 1.00 0.00 O ATOM 1095 CB ARG A 62 83.572 5.566 11.889 1.00 0.00 C ATOM 1096 CG ARG A 62 82.444 5.391 12.922 1.00 0.00 C ATOM 1097 CD ARG A 62 81.947 3.952 12.880 1.00 0.00 C ATOM 1098 NE ARG A 62 80.860 3.774 13.836 1.00 0.00 N ATOM 1099 CZ ARG A 62 80.009 2.759 13.728 1.00 0.00 C ATOM 1100 NH1 ARG A 62 80.136 1.901 12.753 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.040 2.627 14.592 1.00 0.00 N ATOM 0 H ARG A 62 84.517 6.091 9.651 1.00 0.00 H new ATOM 0 HA ARG A 62 82.490 7.290 11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 62 83.471 4.819 11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.538 5.399 12.365 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.808 5.634 13.920 1.00 0.00 H new ATOM 0 HG3 ARG A 62 81.626 6.078 12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.603 3.706 11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.764 3.269 13.114 1.00 0.00 H new ATOM 0 HE ARG A 62 80.751 4.440 14.601 1.00 0.00 H new ATOM 0 HH11 ARG A 62 80.889 2.009 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 62 79.483 1.122 12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 62 78.936 3.302 15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 62 78.386 1.848 14.510 1.00 0.00 H new ATOM 1115 N ASP A 63 85.399 8.460 11.622 1.00 0.00 N ATOM 1116 CA ASP A 63 86.233 9.393 12.357 1.00 0.00 C ATOM 1117 C ASP A 63 85.914 10.825 11.971 1.00 0.00 C ATOM 1118 O ASP A 63 86.614 11.748 12.385 1.00 0.00 O ATOM 1119 CB ASP A 63 87.707 9.115 12.083 1.00 0.00 C ATOM 1120 CG ASP A 63 88.110 7.790 12.719 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.370 7.310 13.564 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.149 7.270 12.350 1.00 0.00 O ATOM 0 H ASP A 63 85.722 8.256 10.676 1.00 0.00 H new ATOM 0 HA ASP A 63 86.028 9.259 13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 63 87.887 9.082 11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.319 9.923 12.484 1.00 0.00 H new ATOM 1127 N ASN A 64 84.859 11.012 11.183 1.00 0.00 N ATOM 1128 CA ASN A 64 84.456 12.346 10.756 1.00 0.00 C ATOM 1129 C ASN A 64 85.424 12.911 9.728 1.00 0.00 C ATOM 1130 O ASN A 64 85.698 14.109 9.719 1.00 0.00 O ATOM 1131 CB ASN A 64 84.361 13.284 11.956 1.00 0.00 C ATOM 1132 CG ASN A 64 83.765 12.544 13.147 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.948 11.639 12.977 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.116 12.892 14.352 1.00 0.00 N ATOM 0 H ASN A 64 84.270 10.258 10.829 1.00 0.00 H new ATOM 0 HA ASN A 64 83.474 12.264 10.290 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.350 13.664 12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.743 14.146 11.706 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.714 12.414 15.158 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.793 13.642 14.489 1.00 0.00 H new ATOM 1141 N THR A 65 85.934 12.037 8.860 1.00 0.00 N ATOM 1142 CA THR A 65 86.866 12.463 7.822 1.00 0.00 C ATOM 1143 C THR A 65 86.299 12.139 6.445 1.00 0.00 C ATOM 1144 O THR A 65 85.855 11.020 6.194 1.00 0.00 O ATOM 1145 CB THR A 65 88.218 11.765 8.008 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.018 10.366 8.119 1.00 0.00 O ATOM 1147 CG2 THR A 65 88.896 12.293 9.272 1.00 0.00 C ATOM 0 H THR A 65 85.719 11.040 8.856 1.00 0.00 H new ATOM 0 HA THR A 65 87.011 13.540 7.901 1.00 0.00 H new ATOM 0 HB THR A 65 88.854 11.969 7.147 1.00 0.00 H new ATOM 0 HG1 THR A 65 88.357 10.055 8.984 1.00 0.00 H new ATOM 0 HG21 THR A 65 89.857 11.796 9.404 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.053 13.368 9.179 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.262 12.092 10.136 1.00 0.00 H new ATOM 1155 N PHE A 66 86.315 13.126 5.555 1.00 0.00 N ATOM 1156 CA PHE A 66 85.792 12.934 4.207 1.00 0.00 C ATOM 1157 C PHE A 66 86.807 12.205 3.339 1.00 0.00 C ATOM 1158 O PHE A 66 87.941 12.659 3.183 1.00 0.00 O ATOM 1159 CB PHE A 66 85.466 14.289 3.579 1.00 0.00 C ATOM 1160 CG PHE A 66 84.264 14.892 4.268 1.00 0.00 C ATOM 1161 CD1 PHE A 66 84.434 15.670 5.419 1.00 0.00 C ATOM 1162 CD2 PHE A 66 82.980 14.672 3.756 1.00 0.00 C ATOM 1163 CE1 PHE A 66 83.322 16.228 6.059 1.00 0.00 C ATOM 1164 CE2 PHE A 66 81.866 15.231 4.394 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.037 16.009 5.546 1.00 0.00 C ATOM 0 H PHE A 66 86.681 14.060 5.740 1.00 0.00 H new ATOM 0 HA PHE A 66 84.885 12.332 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.322 14.958 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.265 14.169 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 66 85.425 15.840 5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 66 82.848 14.071 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.454 16.827 6.948 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.875 15.062 3.998 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.178 16.440 6.039 1.00 0.00 H new ATOM 1175 N PHE A 67 86.391 11.070 2.778 1.00 0.00 N ATOM 1176 CA PHE A 67 87.271 10.277 1.926 1.00 0.00 C ATOM 1177 C PHE A 67 86.687 10.162 0.522 1.00 0.00 C ATOM 1178 O PHE A 67 85.559 9.700 0.345 1.00 0.00 O ATOM 1179 CB PHE A 67 87.457 8.880 2.521 1.00 0.00 C ATOM 1180 CG PHE A 67 88.512 8.136 1.738 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.162 7.442 0.574 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.844 8.148 2.172 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.141 6.757 -0.154 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.823 7.461 1.444 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.472 6.766 0.281 1.00 0.00 C ATOM 0 H PHE A 67 85.455 10.682 2.898 1.00 0.00 H new ATOM 0 HA PHE A 67 88.239 10.775 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.751 8.955 3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.515 8.333 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.136 7.435 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 67 90.116 8.687 3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 67 88.870 6.221 -1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.849 7.467 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.227 6.237 -0.281 1.00 0.00 H new ATOM 1195 N TYR A 68 87.460 10.585 -0.471 1.00 0.00 N ATOM 1196 CA TYR A 68 87.005 10.524 -1.854 1.00 0.00 C ATOM 1197 C TYR A 68 87.373 9.181 -2.477 1.00 0.00 C ATOM 1198 O TYR A 68 88.505 8.714 -2.354 1.00 0.00 O ATOM 1199 CB TYR A 68 87.647 11.656 -2.661 1.00 0.00 C ATOM 1200 CG TYR A 68 87.121 12.984 -2.169 1.00 0.00 C ATOM 1201 CD1 TYR A 68 87.781 13.655 -1.133 1.00 0.00 C ATOM 1202 CD2 TYR A 68 85.977 13.543 -2.749 1.00 0.00 C ATOM 1203 CE1 TYR A 68 87.295 14.887 -0.676 1.00 0.00 C ATOM 1204 CE2 TYR A 68 85.491 14.774 -2.292 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.149 15.446 -1.256 1.00 0.00 C ATOM 1206 OH TYR A 68 85.670 16.659 -0.806 1.00 0.00 O ATOM 0 H TYR A 68 88.396 10.970 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 68 85.921 10.635 -1.869 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.732 11.621 -2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.424 11.534 -3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 68 88.664 13.223 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 68 85.469 13.025 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.804 15.406 0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 68 84.608 15.205 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 68 84.870 16.904 -1.316 1.00 0.00 H new ATOM 1216 N TYR A 69 86.404 8.566 -3.149 1.00 0.00 N ATOM 1217 CA TYR A 69 86.625 7.278 -3.795 1.00 0.00 C ATOM 1218 C TYR A 69 86.793 7.448 -5.300 1.00 0.00 C ATOM 1219 O TYR A 69 86.347 8.439 -5.877 1.00 0.00 O ATOM 1220 CB TYR A 69 85.457 6.336 -3.509 1.00 0.00 C ATOM 1221 CG TYR A 69 85.527 5.863 -2.076 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.295 4.737 -1.750 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.829 6.544 -1.074 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.362 4.294 -0.425 1.00 0.00 C ATOM 1225 CE2 TYR A 69 84.897 6.097 0.249 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.663 4.973 0.574 1.00 0.00 C ATOM 1227 OH TYR A 69 85.726 4.535 1.882 1.00 0.00 O ATOM 0 H TYR A 69 85.461 8.938 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 69 87.541 6.848 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.511 6.848 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.491 5.483 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.836 4.211 -2.523 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.238 7.414 -1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 69 86.955 3.426 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.356 6.622 1.023 1.00 0.00 H new ATOM 0 HH TYR A 69 84.971 3.937 2.064 1.00 0.00 H new ATOM 1237 N ASN A 70 87.437 6.470 -5.930 1.00 0.00 N ATOM 1238 CA ASN A 70 87.652 6.507 -7.370 1.00 0.00 C ATOM 1239 C ASN A 70 86.621 5.650 -8.099 1.00 0.00 C ATOM 1240 O ASN A 70 86.551 4.438 -7.888 1.00 0.00 O ATOM 1241 CB ASN A 70 89.063 6.019 -7.701 1.00 0.00 C ATOM 1242 CG ASN A 70 89.137 5.584 -9.159 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.495 6.181 -10.024 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.881 4.562 -9.481 1.00 0.00 N ATOM 0 H ASN A 70 87.818 5.645 -5.466 1.00 0.00 H new ATOM 0 HA ASN A 70 87.539 7.538 -7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.785 6.814 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.330 5.186 -7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.933 4.255 -10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 70 90.411 4.070 -8.762 1.00 0.00 H new ATOM 1251 N LYS A 71 85.828 6.279 -8.959 1.00 0.00 N ATOM 1252 CA LYS A 71 84.812 5.552 -9.713 1.00 0.00 C ATOM 1253 C LYS A 71 85.441 4.395 -10.486 1.00 0.00 C ATOM 1254 O LYS A 71 84.822 3.351 -10.677 1.00 0.00 O ATOM 1255 CB LYS A 71 84.110 6.501 -10.686 1.00 0.00 C ATOM 1256 CG LYS A 71 85.151 7.381 -11.378 1.00 0.00 C ATOM 1257 CD LYS A 71 84.614 7.836 -12.737 1.00 0.00 C ATOM 1258 CE LYS A 71 85.540 8.907 -13.318 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.361 10.179 -12.561 1.00 0.00 N ATOM 0 H LYS A 71 85.867 7.280 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 71 84.083 5.147 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.550 5.931 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.391 7.122 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.381 8.247 -10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.081 6.828 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.550 6.987 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.605 8.233 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.577 8.578 -13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.316 9.064 -14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.692 10.977 -13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.354 10.310 -12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.912 10.139 -11.680 1.00 0.00 H new ATOM 1273 N GLU A 72 86.680 4.576 -10.913 1.00 0.00 N ATOM 1274 CA GLU A 72 87.374 3.530 -11.652 1.00 0.00 C ATOM 1275 C GLU A 72 87.967 2.520 -10.687 1.00 0.00 C ATOM 1276 O GLU A 72 89.178 2.298 -10.693 1.00 0.00 O ATOM 1277 CB GLU A 72 88.496 4.139 -12.493 1.00 0.00 C ATOM 1278 CG GLU A 72 87.896 4.961 -13.631 1.00 0.00 C ATOM 1279 CD GLU A 72 89.008 5.616 -14.441 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.144 5.571 -14.000 1.00 0.00 O ATOM 1281 OE2 GLU A 72 88.708 6.147 -15.499 1.00 0.00 O ATOM 0 H GLU A 72 87.222 5.427 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 72 86.659 3.032 -12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.129 4.770 -11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.131 3.350 -12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.294 4.321 -14.275 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.230 5.724 -13.228 1.00 0.00 H new ATOM 1365 N LYS A 78 91.687 -10.296 -5.406 1.00 0.00 N ATOM 1366 CA LYS A 78 92.428 -10.245 -4.148 1.00 0.00 C ATOM 1367 C LYS A 78 91.651 -9.469 -3.088 1.00 0.00 C ATOM 1368 O LYS A 78 91.716 -9.784 -1.895 1.00 0.00 O ATOM 1369 CB LYS A 78 93.790 -9.585 -4.361 1.00 0.00 C ATOM 1370 CG LYS A 78 94.644 -9.767 -3.101 1.00 0.00 C ATOM 1371 CD LYS A 78 95.980 -9.043 -3.280 1.00 0.00 C ATOM 1372 CE LYS A 78 95.848 -7.600 -2.789 1.00 0.00 C ATOM 1373 NZ LYS A 78 95.623 -7.596 -1.316 1.00 0.00 N ATOM 0 HA LYS A 78 92.570 -11.269 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.291 -10.029 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.663 -8.524 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.118 -9.372 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.815 -10.827 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.762 -9.558 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.275 -9.056 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 78 96.750 -7.038 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.019 -7.106 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 96.037 -6.736 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 94.602 -7.616 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 96.073 -8.433 -0.894 1.00 0.00 H new ATOM 1387 N GLU A 79 90.899 -8.459 -3.528 1.00 0.00 N ATOM 1388 CA GLU A 79 90.111 -7.652 -2.614 1.00 0.00 C ATOM 1389 C GLU A 79 88.802 -8.350 -2.273 1.00 0.00 C ATOM 1390 O GLU A 79 88.301 -8.245 -1.167 1.00 0.00 O ATOM 1391 CB GLU A 79 89.829 -6.287 -3.246 1.00 0.00 C ATOM 1392 CG GLU A 79 90.797 -5.244 -2.678 1.00 0.00 C ATOM 1393 CD GLU A 79 92.236 -5.653 -2.968 1.00 0.00 C ATOM 1394 OE1 GLU A 79 92.545 -5.878 -4.126 1.00 0.00 O ATOM 1395 OE2 GLU A 79 93.010 -5.734 -2.028 1.00 0.00 O ATOM 0 H GLU A 79 90.823 -8.186 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 79 90.676 -7.514 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.939 -6.347 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.800 -5.989 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.592 -4.268 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.648 -5.146 -1.603 1.00 0.00 H new ATOM 1402 N VAL A 80 88.237 -9.054 -3.228 1.00 0.00 N ATOM 1403 CA VAL A 80 86.975 -9.741 -2.985 1.00 0.00 C ATOM 1404 C VAL A 80 87.146 -10.777 -1.875 1.00 0.00 C ATOM 1405 O VAL A 80 86.290 -10.909 -0.993 1.00 0.00 O ATOM 1406 CB VAL A 80 86.536 -10.448 -4.254 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.146 -11.047 -4.051 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.508 -9.450 -5.401 1.00 0.00 C ATOM 0 H VAL A 80 88.618 -9.169 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 80 86.225 -9.009 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 80 87.237 -11.249 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 80 84.832 -11.554 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.175 -11.762 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.438 -10.252 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 80 86.193 -9.954 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.807 -8.648 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.504 -9.031 -5.543 1.00 0.00 H new ATOM 1418 N HIS A 81 88.246 -11.515 -1.932 1.00 0.00 N ATOM 1419 CA HIS A 81 88.518 -12.541 -0.924 1.00 0.00 C ATOM 1420 C HIS A 81 88.769 -11.955 0.458 1.00 0.00 C ATOM 1421 O HIS A 81 88.244 -12.453 1.455 1.00 0.00 O ATOM 1422 CB HIS A 81 89.747 -13.360 -1.324 1.00 0.00 C ATOM 1423 CG HIS A 81 89.358 -14.437 -2.298 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.137 -14.183 -3.641 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.146 -15.782 -2.128 1.00 0.00 C ATOM 1426 CE1 HIS A 81 88.806 -15.352 -4.223 1.00 0.00 C ATOM 1427 NE2 HIS A 81 88.798 -16.357 -3.344 1.00 0.00 N ATOM 0 H HIS A 81 88.960 -11.428 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 81 87.628 -13.168 -0.876 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.497 -12.708 -1.772 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.200 -13.806 -0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 81 89.236 -16.313 -1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 81 88.575 -15.463 -5.272 1.00 0.00 H new ATOM 0 HE2 HIS A 81 88.583 -17.337 -3.526 1.00 0.00 H new ATOM 1435 N LYS A 82 89.562 -10.891 0.522 1.00 0.00 N ATOM 1436 CA LYS A 82 89.858 -10.254 1.801 1.00 0.00 C ATOM 1437 C LYS A 82 88.681 -9.409 2.282 1.00 0.00 C ATOM 1438 O LYS A 82 88.546 -9.131 3.475 1.00 0.00 O ATOM 1439 CB LYS A 82 91.121 -9.411 1.679 1.00 0.00 C ATOM 1440 CG LYS A 82 90.845 -8.181 0.835 1.00 0.00 C ATOM 1441 CD LYS A 82 90.775 -6.943 1.718 1.00 0.00 C ATOM 1442 CE LYS A 82 92.190 -6.524 2.092 1.00 0.00 C ATOM 1443 NZ LYS A 82 92.199 -6.011 3.487 1.00 0.00 N ATOM 0 H LYS A 82 90.007 -10.455 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 82 90.026 -11.032 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.466 -9.113 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.919 -10.000 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.629 -8.060 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 82 89.907 -8.305 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 82 90.268 -6.133 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 82 90.194 -7.153 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.869 -7.372 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.547 -5.755 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.165 -5.724 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 91.563 -5.191 3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.875 -6.758 4.134 1.00 0.00 H new ATOM 1457 N VAL A 83 87.824 -9.014 1.346 1.00 0.00 N ATOM 1458 CA VAL A 83 86.652 -8.217 1.674 1.00 0.00 C ATOM 1459 C VAL A 83 85.527 -9.117 2.165 1.00 0.00 C ATOM 1460 O VAL A 83 85.275 -10.174 1.590 1.00 0.00 O ATOM 1461 CB VAL A 83 86.180 -7.438 0.448 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.811 -6.824 0.731 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.181 -6.328 0.152 1.00 0.00 C ATOM 0 H VAL A 83 87.921 -9.234 0.355 1.00 0.00 H new ATOM 0 HA VAL A 83 86.923 -7.514 2.462 1.00 0.00 H new ATOM 0 HB VAL A 83 86.105 -8.108 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.474 -6.268 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 83 84.096 -7.616 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.884 -6.149 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.853 -5.766 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.247 -5.659 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 83 88.161 -6.764 -0.044 1.00 0.00 H new ATOM 1473 N LYS A 84 84.854 -8.693 3.229 1.00 0.00 N ATOM 1474 CA LYS A 84 83.755 -9.473 3.791 1.00 0.00 C ATOM 1475 C LYS A 84 82.423 -8.819 3.457 1.00 0.00 C ATOM 1476 O LYS A 84 82.370 -7.629 3.175 1.00 0.00 O ATOM 1477 CB LYS A 84 83.908 -9.573 5.310 1.00 0.00 C ATOM 1478 CG LYS A 84 84.002 -8.172 5.912 1.00 0.00 C ATOM 1479 CD LYS A 84 84.108 -8.284 7.433 1.00 0.00 C ATOM 1480 CE LYS A 84 84.750 -7.016 7.989 1.00 0.00 C ATOM 1481 NZ LYS A 84 83.905 -5.835 7.655 1.00 0.00 N ATOM 0 H LYS A 84 85.048 -7.819 3.718 1.00 0.00 H new ATOM 0 HA LYS A 84 83.781 -10.473 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.058 -10.106 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.801 -10.146 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.871 -7.649 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 84 83.124 -7.586 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.119 -8.425 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.703 -9.156 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 84 84.864 -7.099 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 84 85.749 -6.890 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 84.139 -5.049 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 84.085 -5.546 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 82.901 -6.084 7.765 1.00 0.00 H new ATOM 1495 N VAL A 85 81.347 -9.605 3.489 1.00 0.00 N ATOM 1496 CA VAL A 85 80.021 -9.076 3.186 1.00 0.00 C ATOM 1497 C VAL A 85 79.054 -9.420 4.316 1.00 0.00 C ATOM 1498 O VAL A 85 78.830 -10.592 4.619 1.00 0.00 O ATOM 1499 CB VAL A 85 79.514 -9.670 1.871 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.194 -9.004 1.477 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.553 -9.441 0.773 1.00 0.00 C ATOM 0 H VAL A 85 81.368 -10.599 3.719 1.00 0.00 H new ATOM 0 HA VAL A 85 80.084 -7.992 3.088 1.00 0.00 H new ATOM 0 HB VAL A 85 79.351 -10.740 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.837 -9.430 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.453 -9.174 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.350 -7.933 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.191 -9.864 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.720 -8.371 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.490 -9.924 1.052 1.00 0.00 H new ATOM 1511 N TYR A 86 78.481 -8.392 4.933 1.00 0.00 N ATOM 1512 CA TYR A 86 77.542 -8.598 6.030 1.00 0.00 C ATOM 1513 C TYR A 86 76.127 -8.789 5.502 1.00 0.00 C ATOM 1514 O TYR A 86 75.759 -8.214 4.477 1.00 0.00 O ATOM 1515 CB TYR A 86 77.575 -7.400 6.974 1.00 0.00 C ATOM 1516 CG TYR A 86 76.515 -6.407 6.563 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.607 -5.747 5.337 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.437 -6.157 7.408 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.617 -4.833 4.959 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.443 -5.246 7.037 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.533 -4.581 5.811 1.00 0.00 C ATOM 1522 OH TYR A 86 73.553 -3.687 5.438 1.00 0.00 O ATOM 0 H TYR A 86 78.649 -7.415 4.695 1.00 0.00 H new ATOM 0 HA TYR A 86 77.839 -9.498 6.569 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.404 -7.727 8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.558 -6.930 6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.442 -5.941 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.368 -6.670 8.356 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.688 -4.322 4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.608 -5.057 7.696 1.00 0.00 H new ATOM 0 HH TYR A 86 73.608 -3.526 4.473 1.00 0.00 H new ATOM 1532 N VAL A 87 75.337 -9.595 6.210 1.00 0.00 N ATOM 1533 CA VAL A 87 73.958 -9.848 5.803 1.00 0.00 C ATOM 1534 C VAL A 87 73.004 -9.610 6.972 1.00 0.00 C ATOM 1535 O VAL A 87 73.203 -10.137 8.068 1.00 0.00 O ATOM 1536 CB VAL A 87 73.808 -11.288 5.307 1.00 0.00 C ATOM 1537 CG1 VAL A 87 73.780 -12.245 6.500 1.00 0.00 C ATOM 1538 CG2 VAL A 87 72.505 -11.422 4.519 1.00 0.00 C ATOM 0 H VAL A 87 75.626 -10.079 7.060 1.00 0.00 H new ATOM 0 HA VAL A 87 73.709 -9.161 4.994 1.00 0.00 H new ATOM 0 HB VAL A 87 74.652 -11.537 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 87 73.673 -13.269 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.709 -12.152 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 87 72.938 -11.997 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 87 72.397 -12.447 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 87 71.663 -11.170 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 87 72.524 -10.744 3.666 1.00 0.00 H new ATOM 1548 N TYR A 88 71.969 -8.818 6.730 1.00 0.00 N ATOM 1549 CA TYR A 88 70.987 -8.522 7.768 1.00 0.00 C ATOM 1550 C TYR A 88 70.235 -9.785 8.165 1.00 0.00 C ATOM 1551 O TYR A 88 69.346 -9.687 8.993 1.00 0.00 O ATOM 1552 CB TYR A 88 70.000 -7.472 7.263 1.00 0.00 C ATOM 1553 CG TYR A 88 68.968 -8.137 6.383 1.00 0.00 C ATOM 1554 CD1 TYR A 88 69.335 -8.618 5.122 1.00 0.00 C ATOM 1555 CD2 TYR A 88 67.646 -8.275 6.827 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.382 -9.237 4.303 1.00 0.00 C ATOM 1557 CE2 TYR A 88 66.693 -8.893 6.008 1.00 0.00 C ATOM 1558 CZ TYR A 88 67.061 -9.372 4.745 1.00 0.00 C ATOM 1559 OH TYR A 88 66.122 -9.979 3.937 1.00 0.00 O ATOM 1560 OXT TYR A 88 70.565 -10.835 7.637 1.00 0.00 O ATOM 0 H TYR A 88 71.787 -8.371 5.832 1.00 0.00 H new ATOM 0 HA TYR A 88 71.510 -8.136 8.643 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.513 -6.979 8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.528 -6.700 6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 88 70.354 -8.512 4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.362 -7.905 7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 88 68.667 -9.610 3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 88 65.674 -9.000 6.351 1.00 0.00 H new ATOM 0 HH TYR A 88 65.256 -9.992 4.395 1.00 0.00 H new