USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 605 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 103 ASN : amide:sc= 0.0825 X(o=-0.23,f=0.038) USER MOD Set 1.2: A 106 LYS NZ :NH3+ 155:sc= -0.309 (180deg=0) USER MOD Set 2.1: A 47 TYR OH : rot 175:sc= 0.958 USER MOD Set 2.2: A 108 LYS NZ :NH3+ -116:sc= 0.886 (180deg=0.00504) USER MOD Set 3.1: A 38 MET CE :methyl 170:sc= -0.015 (180deg=-0.127) USER MOD Set 3.2: A 42 SER OG : rot 170:sc= -0.741 USER MOD Set 4.1: A 26 TYR OH : rot 5:sc= 0.385 USER MOD Set 4.2: A 92 LYS NZ :NH3+ 151:sc= 0.16 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.06 (180deg=-0.369) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.104 (180deg=-0.615) USER MOD Single : A 18 GLN : amide:sc= -2.52! C(o=-2.5!,f=-2.6!) USER MOD Single : A 27 MET CE :methyl 162:sc= -2.92! (180deg=-4.31!) USER MOD Single : A 30 SER OG : rot 180:sc= -1.17 USER MOD Single : A 34 ASN : amide:sc= -4.31! C(o=-4.3!,f=-8.2!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 165:sc= -0.65 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= -0.0978 (180deg=-0.88) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.279 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.019) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0549 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot -41:sc= -0.14 USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.924 -0.873 12.097 1.00 0.00 N ATOM 193 CA LYS A 13 1.885 -1.360 10.722 1.00 0.00 C ATOM 194 C LYS A 13 0.789 -0.639 9.940 1.00 0.00 C ATOM 195 O LYS A 13 -0.278 -0.347 10.480 1.00 0.00 O ATOM 196 CB LYS A 13 1.632 -2.876 10.705 1.00 0.00 C ATOM 197 CG LYS A 13 1.344 -3.450 9.320 1.00 0.00 C ATOM 198 CD LYS A 13 2.579 -4.107 8.723 1.00 0.00 C ATOM 199 CE LYS A 13 2.925 -5.400 9.443 1.00 0.00 C ATOM 200 NZ LYS A 13 1.852 -6.421 9.299 1.00 0.00 N ATOM 0 HA LYS A 13 2.847 -1.157 10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.503 -3.382 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.790 -3.099 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.538 -4.181 9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.998 -2.655 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.408 -4.312 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.423 -3.419 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.859 -5.797 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.090 -5.194 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.239 -7.363 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.079 -6.208 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.488 -6.407 8.325 1.00 0.00 H new ATOM 214 N PRO A 14 1.043 -0.331 8.654 1.00 0.00 N ATOM 215 CA PRO A 14 0.069 0.367 7.814 1.00 0.00 C ATOM 216 C PRO A 14 -1.224 -0.422 7.679 1.00 0.00 C ATOM 217 O PRO A 14 -1.268 -1.617 7.972 1.00 0.00 O ATOM 218 CB PRO A 14 0.771 0.502 6.458 1.00 0.00 C ATOM 219 CG PRO A 14 2.220 0.289 6.739 1.00 0.00 C ATOM 220 CD PRO A 14 2.288 -0.629 7.926 1.00 0.00 C ATOM 0 HA PRO A 14 -0.221 1.329 8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.396 -0.234 5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.596 1.485 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.723 -0.151 5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.718 1.235 6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.337 -1.675 7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.169 -0.432 8.537 1.00 0.00 H new ATOM 228 N VAL A 15 -2.282 0.257 7.259 1.00 0.00 N ATOM 229 CA VAL A 15 -3.583 -0.378 7.115 1.00 0.00 C ATOM 230 C VAL A 15 -3.663 -1.258 5.870 1.00 0.00 C ATOM 231 O VAL A 15 -3.491 -0.788 4.735 1.00 0.00 O ATOM 232 CB VAL A 15 -4.717 0.663 7.084 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.691 1.507 8.348 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.617 1.537 5.844 1.00 0.00 C ATOM 0 H VAL A 15 -2.265 1.247 7.012 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.708 -1.015 7.990 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.670 0.135 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.498 2.239 8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.822 0.863 9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.734 2.025 8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.429 2.264 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.661 2.060 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.689 0.914 4.953 1.00 0.00 H new ATOM 244 N LYS A 16 -3.943 -2.538 6.106 1.00 0.00 N ATOM 245 CA LYS A 16 -4.078 -3.523 5.043 1.00 0.00 C ATOM 246 C LYS A 16 -5.519 -4.020 4.982 1.00 0.00 C ATOM 247 O LYS A 16 -6.223 -4.017 5.991 1.00 0.00 O ATOM 248 CB LYS A 16 -3.128 -4.703 5.281 1.00 0.00 C ATOM 249 CG LYS A 16 -3.295 -5.360 6.643 1.00 0.00 C ATOM 250 CD LYS A 16 -3.000 -6.850 6.580 1.00 0.00 C ATOM 251 CE LYS A 16 -1.789 -7.218 7.423 1.00 0.00 C ATOM 252 NZ LYS A 16 -1.963 -6.825 8.850 1.00 0.00 N ATOM 0 H LYS A 16 -4.082 -2.919 7.042 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.817 -3.053 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.291 -5.451 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.100 -4.356 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.627 -4.885 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.312 -5.204 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.869 -7.408 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.826 -7.143 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.617 -8.293 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.903 -6.729 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.434 -7.482 9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.604 -5.859 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.972 -6.859 9.099 1.00 0.00 H new ATOM 266 N PHE A 17 -5.960 -4.441 3.802 1.00 0.00 N ATOM 267 CA PHE A 17 -7.323 -4.931 3.638 1.00 0.00 C ATOM 268 C PHE A 17 -7.415 -5.936 2.498 1.00 0.00 C ATOM 269 O PHE A 17 -6.478 -6.093 1.718 1.00 0.00 O ATOM 270 CB PHE A 17 -8.277 -3.764 3.375 1.00 0.00 C ATOM 271 CG PHE A 17 -7.791 -2.821 2.312 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.930 -3.138 0.969 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.195 -1.619 2.656 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.482 -2.272 -0.011 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.746 -0.750 1.682 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.888 -1.074 0.347 1.00 0.00 C ATOM 0 H PHE A 17 -5.398 -4.453 2.951 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.610 -5.433 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.250 -4.159 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.424 -3.209 4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.393 -4.072 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.080 -1.359 3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.595 -2.530 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.283 0.184 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.537 -0.395 -0.415 1.00 0.00 H new ATOM 286 N GLN A 18 -8.555 -6.608 2.404 1.00 0.00 N ATOM 287 CA GLN A 18 -8.777 -7.594 1.356 1.00 0.00 C ATOM 288 C GLN A 18 -9.668 -7.016 0.264 1.00 0.00 C ATOM 289 O GLN A 18 -10.742 -6.484 0.544 1.00 0.00 O ATOM 290 CB GLN A 18 -9.415 -8.855 1.938 1.00 0.00 C ATOM 291 CG GLN A 18 -9.015 -10.127 1.209 1.00 0.00 C ATOM 292 CD GLN A 18 -10.198 -11.019 0.899 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.238 -10.552 0.433 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.044 -12.312 1.154 1.00 0.00 N ATOM 0 H GLN A 18 -9.341 -6.487 3.042 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.813 -7.857 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.135 -8.943 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.500 -8.752 1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.510 -9.865 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.298 -10.679 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.164 -12.654 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.805 -12.964 0.964 1.00 0.00 H new ATOM 303 N LEU A 19 -9.217 -7.116 -0.982 1.00 0.00 N ATOM 304 CA LEU A 19 -9.983 -6.591 -2.108 1.00 0.00 C ATOM 305 C LEU A 19 -10.566 -7.716 -2.960 1.00 0.00 C ATOM 306 O LEU A 19 -11.515 -7.504 -3.715 1.00 0.00 O ATOM 307 CB LEU A 19 -9.105 -5.673 -2.968 1.00 0.00 C ATOM 308 CG LEU A 19 -9.383 -4.174 -2.813 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.603 -3.378 -3.848 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.873 -3.888 -2.939 1.00 0.00 C ATOM 0 H LEU A 19 -8.331 -7.553 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.814 -6.012 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.060 -5.860 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.239 -5.945 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.056 -3.867 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.812 -2.316 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.536 -3.556 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.901 -3.692 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.049 -2.818 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.224 -4.212 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.414 -4.429 -2.163 1.00 0.00 H new ATOM 322 N GLU A 20 -9.997 -8.913 -2.839 1.00 0.00 N ATOM 323 CA GLU A 20 -10.475 -10.060 -3.603 1.00 0.00 C ATOM 324 C GLU A 20 -10.726 -11.262 -2.696 1.00 0.00 C ATOM 325 O GLU A 20 -9.999 -11.488 -1.731 1.00 0.00 O ATOM 326 CB GLU A 20 -9.468 -10.426 -4.693 1.00 0.00 C ATOM 327 CG GLU A 20 -9.717 -9.716 -6.011 1.00 0.00 C ATOM 328 CD GLU A 20 -10.543 -10.546 -6.974 1.00 0.00 C ATOM 329 OE1 GLU A 20 -11.746 -10.250 -7.133 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.987 -11.493 -7.569 1.00 0.00 O ATOM 0 H GLU A 20 -9.209 -9.112 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.421 -9.783 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.464 -10.186 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.499 -11.503 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.228 -8.772 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.761 -9.473 -6.475 1.00 0.00 H new ATOM 337 N ASP A 21 -11.763 -12.026 -3.021 1.00 0.00 N ATOM 338 CA ASP A 21 -12.132 -13.209 -2.247 1.00 0.00 C ATOM 339 C ASP A 21 -11.039 -14.280 -2.281 1.00 0.00 C ATOM 340 O ASP A 21 -11.090 -15.248 -1.523 1.00 0.00 O ATOM 341 CB ASP A 21 -13.444 -13.793 -2.774 1.00 0.00 C ATOM 342 CG ASP A 21 -14.525 -12.742 -2.924 1.00 0.00 C ATOM 343 OD1 ASP A 21 -14.962 -12.187 -1.893 1.00 0.00 O ATOM 344 OD2 ASP A 21 -14.936 -12.472 -4.073 1.00 0.00 O ATOM 0 H ASP A 21 -12.368 -11.846 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.258 -12.895 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.266 -14.267 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.790 -14.572 -2.095 1.00 0.00 H new ATOM 349 N ASP A 22 -10.063 -14.114 -3.169 1.00 0.00 N ATOM 350 CA ASP A 22 -8.979 -15.085 -3.300 1.00 0.00 C ATOM 351 C ASP A 22 -7.896 -14.879 -2.241 1.00 0.00 C ATOM 352 O ASP A 22 -6.886 -15.585 -2.235 1.00 0.00 O ATOM 353 CB ASP A 22 -8.361 -14.999 -4.696 1.00 0.00 C ATOM 354 CG ASP A 22 -7.843 -13.609 -5.015 1.00 0.00 C ATOM 355 OD1 ASP A 22 -8.045 -13.148 -6.158 1.00 0.00 O ATOM 356 OD2 ASP A 22 -7.237 -12.983 -4.120 1.00 0.00 O ATOM 0 H ASP A 22 -9.999 -13.320 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.408 -16.075 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.543 -15.715 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.106 -15.285 -5.438 1.00 0.00 H new ATOM 361 N GLY A 23 -8.107 -13.925 -1.338 1.00 0.00 N ATOM 362 CA GLY A 23 -7.135 -13.674 -0.289 1.00 0.00 C ATOM 363 C GLY A 23 -6.176 -12.543 -0.615 1.00 0.00 C ATOM 364 O GLY A 23 -5.190 -12.342 0.093 1.00 0.00 O ATOM 0 H GLY A 23 -8.931 -13.324 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.662 -13.439 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.564 -14.584 -0.108 1.00 0.00 H new ATOM 368 N GLU A 24 -6.459 -11.801 -1.681 1.00 0.00 N ATOM 369 CA GLU A 24 -5.602 -10.690 -2.076 1.00 0.00 C ATOM 370 C GLU A 24 -5.695 -9.550 -1.067 1.00 0.00 C ATOM 371 O GLU A 24 -6.759 -8.955 -0.878 1.00 0.00 O ATOM 372 CB GLU A 24 -5.980 -10.199 -3.473 1.00 0.00 C ATOM 373 CG GLU A 24 -4.842 -10.287 -4.475 1.00 0.00 C ATOM 374 CD GLU A 24 -5.300 -10.057 -5.902 1.00 0.00 C ATOM 375 OE1 GLU A 24 -4.719 -10.674 -6.819 1.00 0.00 O ATOM 376 OE2 GLU A 24 -6.242 -9.262 -6.102 1.00 0.00 O ATOM 0 H GLU A 24 -7.269 -11.948 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.571 -11.043 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.823 -10.785 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.316 -9.164 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.080 -9.551 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.374 -11.269 -4.402 1.00 0.00 H new ATOM 383 N PHE A 25 -4.572 -9.257 -0.419 1.00 0.00 N ATOM 384 CA PHE A 25 -4.515 -8.196 0.579 1.00 0.00 C ATOM 385 C PHE A 25 -3.675 -7.023 0.089 1.00 0.00 C ATOM 386 O PHE A 25 -2.567 -7.204 -0.414 1.00 0.00 O ATOM 387 CB PHE A 25 -3.938 -8.732 1.890 1.00 0.00 C ATOM 388 CG PHE A 25 -4.985 -9.166 2.874 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.661 -10.361 2.698 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.295 -8.380 3.972 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.627 -10.767 3.598 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.261 -8.780 4.876 1.00 0.00 C ATOM 393 CZ PHE A 25 -6.927 -9.975 4.688 1.00 0.00 C ATOM 0 H PHE A 25 -3.687 -9.741 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.532 -7.843 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.285 -9.577 1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.319 -7.960 2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.430 -10.984 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.776 -7.445 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.146 -11.702 3.449 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.495 -8.159 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.682 -10.290 5.393 1.00 0.00 H new ATOM 403 N TYR A 26 -4.210 -5.819 0.252 1.00 0.00 N ATOM 404 CA TYR A 26 -3.514 -4.609 -0.159 1.00 0.00 C ATOM 405 C TYR A 26 -3.349 -3.661 1.017 1.00 0.00 C ATOM 406 O TYR A 26 -3.975 -3.829 2.061 1.00 0.00 O ATOM 407 CB TYR A 26 -4.263 -3.906 -1.286 1.00 0.00 C ATOM 408 CG TYR A 26 -4.291 -4.695 -2.574 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.223 -5.706 -2.773 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.380 -4.432 -3.587 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.245 -6.432 -3.948 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.396 -5.151 -4.765 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.330 -6.150 -4.941 1.00 0.00 C ATOM 414 OH TYR A 26 -4.349 -6.870 -6.113 1.00 0.00 O ATOM 0 H TYR A 26 -5.127 -5.656 0.668 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.528 -4.899 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.287 -3.712 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.798 -2.938 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.941 -5.928 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.646 -3.651 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.974 -7.216 -4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.681 -4.932 -5.544 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.115 -7.481 -6.109 1.00 0.00 H new ATOM 424 N MET A 27 -2.499 -2.664 0.834 1.00 0.00 N ATOM 425 CA MET A 27 -2.241 -1.677 1.871 1.00 0.00 C ATOM 426 C MET A 27 -2.273 -0.273 1.288 1.00 0.00 C ATOM 427 O MET A 27 -1.919 -0.069 0.126 1.00 0.00 O ATOM 428 CB MET A 27 -0.884 -1.939 2.525 1.00 0.00 C ATOM 429 CG MET A 27 -0.966 -2.851 3.736 1.00 0.00 C ATOM 430 SD MET A 27 0.401 -2.611 4.883 1.00 0.00 S ATOM 431 CE MET A 27 1.390 -4.060 4.538 1.00 0.00 C ATOM 0 H MET A 27 -1.973 -2.516 -0.027 1.00 0.00 H new ATOM 0 HA MET A 27 -3.021 -1.760 2.628 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.214 -2.383 1.789 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.443 -0.988 2.824 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.907 -2.673 4.257 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.978 -3.889 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.401 -3.908 4.915 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.947 -4.928 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.426 -4.228 3.462 1.00 0.00 H new ATOM 441 N ILE A 28 -2.699 0.694 2.094 1.00 0.00 N ATOM 442 CA ILE A 28 -2.766 2.075 1.626 1.00 0.00 C ATOM 443 C ILE A 28 -1.371 2.695 1.553 1.00 0.00 C ATOM 444 O ILE A 28 -0.662 2.789 2.559 1.00 0.00 O ATOM 445 CB ILE A 28 -3.677 2.944 2.513 1.00 0.00 C ATOM 446 CG1 ILE A 28 -4.992 2.215 2.795 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.948 4.276 1.831 1.00 0.00 C ATOM 448 CD1 ILE A 28 -5.996 3.048 3.564 1.00 0.00 C ATOM 0 H ILE A 28 -2.999 0.552 3.059 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.199 2.047 0.626 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.173 3.130 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.437 1.907 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.780 1.306 3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.593 4.885 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.006 4.798 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.440 4.101 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.903 2.466 3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.571 3.334 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.238 3.945 2.993 1.00 0.00 H new ATOM 460 N GLY A 29 -0.981 3.103 0.347 1.00 0.00 N ATOM 461 CA GLY A 29 0.333 3.688 0.142 1.00 0.00 C ATOM 462 C GLY A 29 0.608 4.865 1.053 1.00 0.00 C ATOM 463 O GLY A 29 1.749 5.087 1.456 1.00 0.00 O ATOM 0 H GLY A 29 -1.554 3.038 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.093 2.924 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.423 4.010 -0.895 1.00 0.00 H new ATOM 467 N SER A 30 -0.431 5.614 1.395 1.00 0.00 N ATOM 468 CA SER A 30 -0.273 6.758 2.280 1.00 0.00 C ATOM 469 C SER A 30 0.224 6.291 3.644 1.00 0.00 C ATOM 470 O SER A 30 1.082 6.931 4.263 1.00 0.00 O ATOM 471 CB SER A 30 -1.599 7.505 2.432 1.00 0.00 C ATOM 472 OG SER A 30 -2.627 6.638 2.877 1.00 0.00 O ATOM 0 H SER A 30 -1.386 5.451 1.075 1.00 0.00 H new ATOM 0 HA SER A 30 0.459 7.439 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.479 8.324 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.881 7.948 1.477 1.00 0.00 H new ATOM 0 HG SER A 30 -3.463 7.141 2.967 1.00 0.00 H new ATOM 478 N GLU A 31 -0.308 5.159 4.098 1.00 0.00 N ATOM 479 CA GLU A 31 0.088 4.593 5.378 1.00 0.00 C ATOM 480 C GLU A 31 1.516 4.082 5.302 1.00 0.00 C ATOM 481 O GLU A 31 2.304 4.260 6.231 1.00 0.00 O ATOM 482 CB GLU A 31 -0.861 3.464 5.781 1.00 0.00 C ATOM 483 CG GLU A 31 -2.291 3.926 6.010 1.00 0.00 C ATOM 484 CD GLU A 31 -2.717 3.816 7.461 1.00 0.00 C ATOM 485 OE1 GLU A 31 -2.156 2.965 8.182 1.00 0.00 O ATOM 486 OE2 GLU A 31 -3.613 4.582 7.877 1.00 0.00 O ATOM 0 H GLU A 31 -1.013 4.619 3.597 1.00 0.00 H new ATOM 0 HA GLU A 31 0.034 5.374 6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.855 2.700 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.489 2.995 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.390 4.961 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.964 3.331 5.392 1.00 0.00 H new ATOM 493 N VAL A 32 1.847 3.458 4.179 1.00 0.00 N ATOM 494 CA VAL A 32 3.186 2.933 3.965 1.00 0.00 C ATOM 495 C VAL A 32 4.197 4.069 3.885 1.00 0.00 C ATOM 496 O VAL A 32 5.299 3.975 4.425 1.00 0.00 O ATOM 497 CB VAL A 32 3.266 2.092 2.674 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.632 1.435 2.547 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.160 1.047 2.647 1.00 0.00 C ATOM 0 H VAL A 32 1.204 3.304 3.402 1.00 0.00 H new ATOM 0 HA VAL A 32 3.421 2.290 4.814 1.00 0.00 H new ATOM 0 HB VAL A 32 3.128 2.757 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.669 0.846 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.404 2.204 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.803 0.783 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.233 0.464 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.264 0.385 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.190 1.543 2.686 1.00 0.00 H new ATOM 509 N GLY A 33 3.809 5.144 3.207 1.00 0.00 N ATOM 510 CA GLY A 33 4.687 6.289 3.066 1.00 0.00 C ATOM 511 C GLY A 33 5.050 6.906 4.401 1.00 0.00 C ATOM 512 O GLY A 33 6.228 7.112 4.695 1.00 0.00 O ATOM 0 H GLY A 33 2.901 5.242 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.597 5.984 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.203 7.040 2.441 1.00 0.00 H new ATOM 516 N ASN A 34 4.045 7.189 5.225 1.00 0.00 N ATOM 517 CA ASN A 34 4.302 7.771 6.537 1.00 0.00 C ATOM 518 C ASN A 34 5.068 6.779 7.408 1.00 0.00 C ATOM 519 O ASN A 34 5.893 7.166 8.234 1.00 0.00 O ATOM 520 CB ASN A 34 2.995 8.211 7.215 1.00 0.00 C ATOM 521 CG ASN A 34 2.158 7.055 7.732 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.660 6.153 8.401 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.865 7.085 7.432 1.00 0.00 N ATOM 0 H ASN A 34 3.061 7.028 5.012 1.00 0.00 H new ATOM 0 HA ASN A 34 4.915 8.662 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.233 8.876 8.045 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.403 8.787 6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.248 6.341 7.759 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.488 7.852 6.874 1.00 0.00 H new ATOM 530 N TYR A 35 4.786 5.496 7.202 1.00 0.00 N ATOM 531 CA TYR A 35 5.441 4.429 7.950 1.00 0.00 C ATOM 532 C TYR A 35 6.950 4.465 7.732 1.00 0.00 C ATOM 533 O TYR A 35 7.728 4.321 8.676 1.00 0.00 O ATOM 534 CB TYR A 35 4.875 3.081 7.500 1.00 0.00 C ATOM 535 CG TYR A 35 5.217 1.936 8.417 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.482 0.671 7.910 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.272 2.117 9.788 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.794 -0.379 8.748 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.585 1.075 10.632 1.00 0.00 C ATOM 540 CZ TYR A 35 5.846 -0.172 10.110 1.00 0.00 C ATOM 541 OH TYR A 35 6.157 -1.216 10.950 1.00 0.00 O ATOM 0 H TYR A 35 4.103 5.169 6.518 1.00 0.00 H new ATOM 0 HA TYR A 35 5.250 4.570 9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.791 3.161 7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.249 2.857 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.443 0.507 6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.066 3.092 10.203 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.996 -1.358 8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.626 1.235 11.699 1.00 0.00 H new ATOM 0 HH TYR A 35 6.152 -0.902 11.878 1.00 0.00 H new ATOM 551 N LEU A 36 7.354 4.676 6.487 1.00 0.00 N ATOM 552 CA LEU A 36 8.771 4.750 6.146 1.00 0.00 C ATOM 553 C LEU A 36 9.252 6.203 6.125 1.00 0.00 C ATOM 554 O LEU A 36 10.435 6.470 5.919 1.00 0.00 O ATOM 555 CB LEU A 36 9.035 4.094 4.789 1.00 0.00 C ATOM 556 CG LEU A 36 8.597 2.631 4.681 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.464 2.476 3.674 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.776 1.747 4.300 1.00 0.00 C ATOM 0 H LEU A 36 6.722 4.799 5.696 1.00 0.00 H new ATOM 0 HA LEU A 36 9.327 4.210 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.522 4.669 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.102 4.155 4.574 1.00 0.00 H new ATOM 0 HG LEU A 36 8.229 2.314 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.170 1.428 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.610 3.075 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.800 2.814 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.446 0.711 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.176 2.068 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.552 1.828 5.061 1.00 0.00 H new ATOM 570 N ARG A 37 8.325 7.138 6.340 1.00 0.00 N ATOM 571 CA ARG A 37 8.650 8.560 6.347 1.00 0.00 C ATOM 572 C ARG A 37 9.030 9.048 4.953 1.00 0.00 C ATOM 573 O ARG A 37 9.808 9.991 4.806 1.00 0.00 O ATOM 574 CB ARG A 37 9.790 8.846 7.326 1.00 0.00 C ATOM 575 CG ARG A 37 9.674 10.193 8.020 1.00 0.00 C ATOM 576 CD ARG A 37 11.033 10.860 8.180 1.00 0.00 C ATOM 577 NE ARG A 37 11.542 10.747 9.545 1.00 0.00 N ATOM 578 CZ ARG A 37 12.176 9.675 10.015 1.00 0.00 C ATOM 579 NH1 ARG A 37 12.384 8.621 9.237 1.00 0.00 N ATOM 580 NH2 ARG A 37 12.605 9.658 11.269 1.00 0.00 N ATOM 0 H ARG A 37 7.341 6.932 6.512 1.00 0.00 H new ATOM 0 HA ARG A 37 7.760 9.100 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.816 8.059 8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.738 8.804 6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.014 10.843 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.216 10.060 9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.743 10.405 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.954 11.913 7.909 1.00 0.00 H new ATOM 0 HE ARG A 37 11.403 11.537 10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.057 8.628 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.871 7.804 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.449 10.466 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.091 8.837 11.631 1.00 0.00 H new ATOM 594 N MET A 38 8.464 8.412 3.932 1.00 0.00 N ATOM 595 CA MET A 38 8.735 8.799 2.554 1.00 0.00 C ATOM 596 C MET A 38 7.570 9.613 1.998 1.00 0.00 C ATOM 597 O MET A 38 6.419 9.179 2.046 1.00 0.00 O ATOM 598 CB MET A 38 8.970 7.560 1.688 1.00 0.00 C ATOM 599 CG MET A 38 10.435 7.168 1.571 1.00 0.00 C ATOM 600 SD MET A 38 10.672 5.383 1.478 1.00 0.00 S ATOM 601 CE MET A 38 12.123 5.288 0.434 1.00 0.00 C ATOM 0 H MET A 38 7.818 7.630 4.033 1.00 0.00 H new ATOM 0 HA MET A 38 9.636 9.413 2.536 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.411 6.723 2.106 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.571 7.743 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.862 7.634 0.683 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.981 7.559 2.430 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.500 4.265 0.427 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.861 5.585 -0.581 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.893 5.956 0.820 1.00 0.00 H new ATOM 611 N PHE A 39 7.875 10.797 1.481 1.00 0.00 N ATOM 612 CA PHE A 39 6.850 11.674 0.926 1.00 0.00 C ATOM 613 C PHE A 39 7.198 12.096 -0.498 1.00 0.00 C ATOM 614 O PHE A 39 8.274 11.780 -1.005 1.00 0.00 O ATOM 615 CB PHE A 39 6.670 12.905 1.818 1.00 0.00 C ATOM 616 CG PHE A 39 6.767 12.597 3.287 1.00 0.00 C ATOM 617 CD1 PHE A 39 7.995 12.596 3.928 1.00 0.00 C ATOM 618 CD2 PHE A 39 5.630 12.302 4.025 1.00 0.00 C ATOM 619 CE1 PHE A 39 8.090 12.308 5.276 1.00 0.00 C ATOM 620 CE2 PHE A 39 5.719 12.013 5.373 1.00 0.00 C ATOM 621 CZ PHE A 39 6.950 12.017 6.000 1.00 0.00 C ATOM 0 H PHE A 39 8.822 11.172 1.434 1.00 0.00 H new ATOM 0 HA PHE A 39 5.912 11.121 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.426 13.646 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.699 13.355 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.889 12.823 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.665 12.298 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.054 12.310 5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.827 11.784 5.936 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.021 11.793 7.054 1.00 0.00 H new ATOM 631 N ARG A 40 6.281 12.817 -1.137 1.00 0.00 N ATOM 632 CA ARG A 40 6.491 13.286 -2.501 1.00 0.00 C ATOM 633 C ARG A 40 6.730 12.116 -3.451 1.00 0.00 C ATOM 634 O ARG A 40 7.608 12.170 -4.312 1.00 0.00 O ATOM 635 CB ARG A 40 7.677 14.253 -2.553 1.00 0.00 C ATOM 636 CG ARG A 40 7.520 15.457 -1.638 1.00 0.00 C ATOM 637 CD ARG A 40 6.583 16.494 -2.236 1.00 0.00 C ATOM 638 NE ARG A 40 7.294 17.461 -3.069 1.00 0.00 N ATOM 639 CZ ARG A 40 7.986 18.489 -2.583 1.00 0.00 C ATOM 640 NH1 ARG A 40 8.065 18.687 -1.273 1.00 0.00 N ATOM 641 NH2 ARG A 40 8.604 19.321 -3.410 1.00 0.00 N ATOM 0 H ARG A 40 5.386 13.089 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 40 5.590 13.809 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.585 13.716 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.807 14.600 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.135 15.133 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.496 15.908 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.821 15.992 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.064 17.019 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 40 7.258 17.341 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.594 18.049 -0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.597 19.477 -0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.549 19.173 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.134 20.109 -3.038 1.00 0.00 H new ATOM 655 N GLY A 41 5.943 11.058 -3.286 1.00 0.00 N ATOM 656 CA GLY A 41 6.086 9.888 -4.134 1.00 0.00 C ATOM 657 C GLY A 41 7.462 9.259 -4.025 1.00 0.00 C ATOM 658 O GLY A 41 7.918 8.587 -4.950 1.00 0.00 O ATOM 0 H GLY A 41 5.209 10.989 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.330 9.151 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.899 10.169 -5.170 1.00 0.00 H new ATOM 662 N SER A 42 8.123 9.476 -2.893 1.00 0.00 N ATOM 663 CA SER A 42 9.453 8.925 -2.666 1.00 0.00 C ATOM 664 C SER A 42 9.409 7.402 -2.615 1.00 0.00 C ATOM 665 O SER A 42 10.349 6.730 -3.040 1.00 0.00 O ATOM 666 CB SER A 42 10.040 9.474 -1.364 1.00 0.00 C ATOM 667 OG SER A 42 11.332 8.945 -1.124 1.00 0.00 O ATOM 0 H SER A 42 7.759 10.030 -2.118 1.00 0.00 H new ATOM 0 HA SER A 42 10.090 9.224 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.093 10.562 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.382 9.226 -0.532 1.00 0.00 H new ATOM 0 HG SER A 42 11.750 9.427 -0.380 1.00 0.00 H new ATOM 673 N LEU A 43 8.313 6.862 -2.091 1.00 0.00 N ATOM 674 CA LEU A 43 8.149 5.418 -1.983 1.00 0.00 C ATOM 675 C LEU A 43 8.087 4.771 -3.364 1.00 0.00 C ATOM 676 O LEU A 43 8.737 3.756 -3.614 1.00 0.00 O ATOM 677 CB LEU A 43 6.880 5.085 -1.196 1.00 0.00 C ATOM 678 CG LEU A 43 6.776 3.634 -0.716 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.139 3.530 0.756 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.376 3.090 -0.960 1.00 0.00 C ATOM 0 H LEU A 43 7.526 7.404 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 43 9.014 5.019 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.826 5.743 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.015 5.308 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 43 7.483 3.033 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.059 2.492 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.161 3.878 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.457 4.145 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.321 2.058 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.651 3.695 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.152 3.126 -2.026 1.00 0.00 H new ATOM 692 N TYR A 44 7.302 5.366 -4.256 1.00 0.00 N ATOM 693 CA TYR A 44 7.158 4.846 -5.611 1.00 0.00 C ATOM 694 C TYR A 44 8.435 5.058 -6.416 1.00 0.00 C ATOM 695 O TYR A 44 8.841 4.194 -7.194 1.00 0.00 O ATOM 696 CB TYR A 44 5.977 5.518 -6.315 1.00 0.00 C ATOM 697 CG TYR A 44 4.659 5.340 -5.595 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.816 6.421 -5.373 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.259 4.090 -5.138 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.611 6.262 -4.714 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.056 3.923 -4.480 1.00 0.00 C ATOM 702 CZ TYR A 44 2.236 5.012 -4.270 1.00 0.00 C ATOM 703 OH TYR A 44 1.036 4.850 -3.615 1.00 0.00 O ATOM 0 H TYR A 44 6.757 6.207 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 44 6.969 3.775 -5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.184 6.583 -6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.888 5.113 -7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.106 7.401 -5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.899 3.235 -5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.967 7.113 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.759 2.945 -4.132 1.00 0.00 H new ATOM 0 HH TYR A 44 0.808 3.898 -3.581 1.00 0.00 H new ATOM 713 N LYS A 45 9.067 6.211 -6.224 1.00 0.00 N ATOM 714 CA LYS A 45 10.301 6.534 -6.931 1.00 0.00 C ATOM 715 C LYS A 45 11.429 5.601 -6.503 1.00 0.00 C ATOM 716 O LYS A 45 12.216 5.140 -7.329 1.00 0.00 O ATOM 717 CB LYS A 45 10.698 7.988 -6.670 1.00 0.00 C ATOM 718 CG LYS A 45 10.077 8.973 -7.647 1.00 0.00 C ATOM 719 CD LYS A 45 10.859 9.035 -8.949 1.00 0.00 C ATOM 720 CE LYS A 45 12.153 9.817 -8.786 1.00 0.00 C ATOM 721 NZ LYS A 45 13.333 8.919 -8.665 1.00 0.00 N ATOM 0 H LYS A 45 8.745 6.938 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 45 10.126 6.400 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.404 8.260 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.783 8.074 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.047 8.682 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.043 9.964 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.084 8.024 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.246 9.501 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.287 10.479 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.086 10.449 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.935 9.240 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.012 7.947 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.878 8.941 -9.550 1.00 0.00 H new ATOM 735 N ARG A 46 11.498 5.326 -5.205 1.00 0.00 N ATOM 736 CA ARG A 46 12.525 4.447 -4.661 1.00 0.00 C ATOM 737 C ARG A 46 12.215 2.987 -4.978 1.00 0.00 C ATOM 738 O ARG A 46 13.120 2.159 -5.079 1.00 0.00 O ATOM 739 CB ARG A 46 12.635 4.637 -3.145 1.00 0.00 C ATOM 740 CG ARG A 46 14.054 4.530 -2.611 1.00 0.00 C ATOM 741 CD ARG A 46 14.450 3.085 -2.355 1.00 0.00 C ATOM 742 NE ARG A 46 15.899 2.896 -2.414 1.00 0.00 N ATOM 743 CZ ARG A 46 16.622 3.048 -3.521 1.00 0.00 C ATOM 744 NH1 ARG A 46 16.036 3.388 -4.664 1.00 0.00 N ATOM 745 NH2 ARG A 46 17.934 2.860 -3.486 1.00 0.00 N ATOM 0 H ARG A 46 10.853 5.700 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 46 13.476 4.708 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.231 5.614 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.014 3.891 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.746 4.976 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.139 5.100 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.084 2.777 -1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.970 2.441 -3.092 1.00 0.00 H new ATOM 0 HE ARG A 46 16.384 2.632 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.027 3.534 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.595 3.503 -5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.389 2.599 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.489 2.976 -4.334 1.00 0.00 H new ATOM 759 N TYR A 47 10.930 2.675 -5.126 1.00 0.00 N ATOM 760 CA TYR A 47 10.508 1.309 -5.421 1.00 0.00 C ATOM 761 C TYR A 47 9.633 1.246 -6.672 1.00 0.00 C ATOM 762 O TYR A 47 8.419 1.053 -6.582 1.00 0.00 O ATOM 763 CB TYR A 47 9.752 0.732 -4.228 1.00 0.00 C ATOM 764 CG TYR A 47 10.603 0.583 -2.993 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.919 1.679 -2.202 1.00 0.00 C ATOM 766 CD2 TYR A 47 11.095 -0.657 -2.623 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.704 1.539 -1.073 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.878 -0.810 -1.500 1.00 0.00 C ATOM 769 CZ TYR A 47 12.182 0.291 -0.726 1.00 0.00 C ATOM 770 OH TYR A 47 12.960 0.145 0.398 1.00 0.00 O ATOM 0 H TYR A 47 10.166 3.346 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 47 11.403 0.716 -5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.903 1.377 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.348 -0.243 -4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.546 2.656 -2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.860 -1.521 -3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.942 2.400 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.252 -1.786 -1.227 1.00 0.00 H new ATOM 0 HH TYR A 47 13.147 -0.806 0.545 1.00 0.00 H new ATOM 780 N PRO A 48 10.237 1.400 -7.862 1.00 0.00 N ATOM 781 CA PRO A 48 9.504 1.353 -9.130 1.00 0.00 C ATOM 782 C PRO A 48 8.887 -0.018 -9.391 1.00 0.00 C ATOM 783 O PRO A 48 7.858 -0.128 -10.056 1.00 0.00 O ATOM 784 CB PRO A 48 10.571 1.668 -10.188 1.00 0.00 C ATOM 785 CG PRO A 48 11.720 2.247 -9.434 1.00 0.00 C ATOM 786 CD PRO A 48 11.675 1.626 -8.069 1.00 0.00 C ATOM 0 HA PRO A 48 8.668 2.052 -9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.868 0.768 -10.726 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.193 2.372 -10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.664 2.026 -9.932 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.639 3.332 -9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.241 0.695 -8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.094 2.287 -7.310 1.00 0.00 H new ATOM 794 N SER A 49 9.523 -1.062 -8.865 1.00 0.00 N ATOM 795 CA SER A 49 9.030 -2.425 -9.047 1.00 0.00 C ATOM 796 C SER A 49 7.888 -2.740 -8.080 1.00 0.00 C ATOM 797 O SER A 49 7.318 -3.830 -8.118 1.00 0.00 O ATOM 798 CB SER A 49 10.168 -3.431 -8.852 1.00 0.00 C ATOM 799 OG SER A 49 10.571 -3.989 -10.090 1.00 0.00 O ATOM 0 H SER A 49 10.377 -0.991 -8.312 1.00 0.00 H new ATOM 0 HA SER A 49 8.646 -2.506 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.017 -2.938 -8.378 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.845 -4.225 -8.179 1.00 0.00 H new ATOM 0 HG SER A 49 11.300 -4.627 -9.940 1.00 0.00 H new ATOM 805 N LEU A 50 7.562 -1.787 -7.213 1.00 0.00 N ATOM 806 CA LEU A 50 6.495 -1.974 -6.238 1.00 0.00 C ATOM 807 C LEU A 50 5.123 -1.785 -6.877 1.00 0.00 C ATOM 808 O LEU A 50 4.885 -0.806 -7.585 1.00 0.00 O ATOM 809 CB LEU A 50 6.673 -0.992 -5.084 1.00 0.00 C ATOM 810 CG LEU A 50 6.054 -1.423 -3.758 1.00 0.00 C ATOM 811 CD1 LEU A 50 6.931 -2.456 -3.073 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.850 -0.215 -2.858 1.00 0.00 C ATOM 0 H LEU A 50 8.022 -0.878 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 50 6.553 -2.995 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.739 -0.826 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.240 -0.035 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 50 5.083 -1.877 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.474 -2.752 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.034 -3.330 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.915 -2.028 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.408 -0.535 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.811 0.261 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.185 0.496 -3.348 1.00 0.00 H new ATOM 824 N TRP A 51 4.222 -2.728 -6.621 1.00 0.00 N ATOM 825 CA TRP A 51 2.871 -2.663 -7.168 1.00 0.00 C ATOM 826 C TRP A 51 2.070 -1.540 -6.517 1.00 0.00 C ATOM 827 O TRP A 51 1.804 -1.572 -5.317 1.00 0.00 O ATOM 828 CB TRP A 51 2.143 -3.993 -6.958 1.00 0.00 C ATOM 829 CG TRP A 51 0.787 -4.032 -7.597 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.463 -4.556 -8.815 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.428 -3.519 -7.045 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.883 -4.399 -9.052 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.450 -3.765 -7.978 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.748 -2.877 -5.849 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.771 -3.389 -7.747 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.054 -2.505 -5.619 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.052 -2.762 -6.564 1.00 0.00 C ATOM 0 H TRP A 51 4.403 -3.546 -6.039 1.00 0.00 H new ATOM 0 HA TRP A 51 2.956 -2.461 -8.236 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.752 -4.801 -7.364 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.039 -4.178 -5.889 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.161 -5.025 -9.493 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.378 -4.705 -9.890 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.017 -2.675 -5.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.545 -3.585 -8.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.311 -2.008 -4.695 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.067 -2.459 -6.355 1.00 0.00 H new ATOM 848 N ARG A 52 1.683 -0.551 -7.315 1.00 0.00 N ATOM 849 CA ARG A 52 0.900 0.573 -6.811 1.00 0.00 C ATOM 850 C ARG A 52 -0.184 0.966 -7.810 1.00 0.00 C ATOM 851 O ARG A 52 0.062 1.009 -9.016 1.00 0.00 O ATOM 852 CB ARG A 52 1.810 1.770 -6.529 1.00 0.00 C ATOM 853 CG ARG A 52 2.715 2.134 -7.695 1.00 0.00 C ATOM 854 CD ARG A 52 2.174 3.324 -8.471 1.00 0.00 C ATOM 855 NE ARG A 52 3.118 3.792 -9.484 1.00 0.00 N ATOM 856 CZ ARG A 52 2.782 4.582 -10.501 1.00 0.00 C ATOM 857 NH1 ARG A 52 1.528 4.995 -10.645 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.702 4.961 -11.378 1.00 0.00 N ATOM 0 H ARG A 52 1.898 -0.504 -8.311 1.00 0.00 H new ATOM 0 HA ARG A 52 0.421 0.265 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.194 2.632 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.426 1.550 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.714 2.364 -7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.813 1.278 -8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.235 3.047 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.952 4.137 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 52 4.091 3.496 -9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.816 4.707 -9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.277 5.600 -11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.667 4.647 -11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.445 5.566 -12.158 1.00 0.00 H new ATOM 872 N ARG A 53 -1.381 1.261 -7.310 1.00 0.00 N ATOM 873 CA ARG A 53 -2.484 1.656 -8.180 1.00 0.00 C ATOM 874 C ARG A 53 -3.506 2.516 -7.437 1.00 0.00 C ATOM 875 O ARG A 53 -3.531 2.545 -6.207 1.00 0.00 O ATOM 876 CB ARG A 53 -3.152 0.415 -8.801 1.00 0.00 C ATOM 877 CG ARG A 53 -4.380 -0.100 -8.054 1.00 0.00 C ATOM 878 CD ARG A 53 -5.618 -0.110 -8.938 1.00 0.00 C ATOM 879 NE ARG A 53 -6.169 -1.455 -9.084 1.00 0.00 N ATOM 880 CZ ARG A 53 -5.689 -2.366 -9.929 1.00 0.00 C ATOM 881 NH1 ARG A 53 -4.651 -2.080 -10.705 1.00 0.00 N ATOM 882 NH2 ARG A 53 -6.248 -3.566 -9.997 1.00 0.00 N ATOM 0 H ARG A 53 -1.611 1.234 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.073 2.265 -8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.441 0.651 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.415 -0.387 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.186 -1.109 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.563 0.526 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.375 0.549 -8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.366 0.288 -9.921 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.968 -1.712 -8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.216 -1.159 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.288 -2.782 -11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.045 -3.792 -9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.881 -4.264 -10.644 1.00 0.00 H new ATOM 896 N LEU A 54 -4.352 3.206 -8.196 1.00 0.00 N ATOM 897 CA LEU A 54 -5.385 4.055 -7.616 1.00 0.00 C ATOM 898 C LEU A 54 -6.711 3.306 -7.542 1.00 0.00 C ATOM 899 O LEU A 54 -7.108 2.633 -8.493 1.00 0.00 O ATOM 900 CB LEU A 54 -5.550 5.331 -8.442 1.00 0.00 C ATOM 901 CG LEU A 54 -4.605 6.470 -8.064 1.00 0.00 C ATOM 902 CD1 LEU A 54 -3.821 6.946 -9.277 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.377 7.623 -7.440 1.00 0.00 C ATOM 0 H LEU A 54 -4.342 3.193 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.080 4.327 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.399 5.087 -9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.577 5.682 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.896 6.093 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.155 7.757 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.233 6.120 -9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.513 7.302 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.686 8.424 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.112 7.997 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.887 7.275 -6.542 1.00 0.00 H new ATOM 915 N ALA A 55 -7.390 3.420 -6.406 1.00 0.00 N ATOM 916 CA ALA A 55 -8.668 2.743 -6.211 1.00 0.00 C ATOM 917 C ALA A 55 -9.825 3.549 -6.789 1.00 0.00 C ATOM 918 O ALA A 55 -9.839 4.777 -6.717 1.00 0.00 O ATOM 919 CB ALA A 55 -8.902 2.480 -4.731 1.00 0.00 C ATOM 0 H ALA A 55 -7.078 3.973 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.625 1.793 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.859 1.975 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.102 1.850 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.914 3.427 -4.191 1.00 0.00 H new ATOM 925 N THR A 56 -10.800 2.843 -7.350 1.00 0.00 N ATOM 926 CA THR A 56 -11.976 3.483 -7.928 1.00 0.00 C ATOM 927 C THR A 56 -12.882 4.008 -6.823 1.00 0.00 C ATOM 928 O THR A 56 -12.698 3.673 -5.655 1.00 0.00 O ATOM 929 CB THR A 56 -12.749 2.486 -8.792 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.491 1.594 -7.977 1.00 0.00 O ATOM 931 CG2 THR A 56 -11.858 1.655 -9.692 1.00 0.00 C ATOM 0 H THR A 56 -10.799 1.825 -7.417 1.00 0.00 H new ATOM 0 HA THR A 56 -11.648 4.316 -8.550 1.00 0.00 H new ATOM 0 HB THR A 56 -13.405 3.090 -9.419 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.981 0.963 -8.545 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.470 0.969 -10.277 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.306 2.312 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.156 1.085 -9.083 1.00 0.00 H new ATOM 939 N VAL A 57 -13.869 4.818 -7.190 1.00 0.00 N ATOM 940 CA VAL A 57 -14.798 5.366 -6.209 1.00 0.00 C ATOM 941 C VAL A 57 -15.417 4.245 -5.382 1.00 0.00 C ATOM 942 O VAL A 57 -15.589 4.368 -4.168 1.00 0.00 O ATOM 943 CB VAL A 57 -15.923 6.174 -6.884 1.00 0.00 C ATOM 944 CG1 VAL A 57 -16.776 6.879 -5.841 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.341 7.175 -7.872 1.00 0.00 C ATOM 0 H VAL A 57 -14.046 5.108 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.230 6.034 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.562 5.483 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.565 7.444 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.223 6.140 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.153 7.559 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.150 7.737 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -14.678 7.862 -7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.778 6.644 -8.639 1.00 0.00 H new ATOM 955 N GLU A 58 -15.726 3.140 -6.052 1.00 0.00 N ATOM 956 CA GLU A 58 -16.305 1.981 -5.388 1.00 0.00 C ATOM 957 C GLU A 58 -15.279 1.343 -4.461 1.00 0.00 C ATOM 958 O GLU A 58 -15.588 0.995 -3.321 1.00 0.00 O ATOM 959 CB GLU A 58 -16.786 0.960 -6.420 1.00 0.00 C ATOM 960 CG GLU A 58 -17.847 1.501 -7.364 1.00 0.00 C ATOM 961 CD GLU A 58 -18.132 0.562 -8.520 1.00 0.00 C ATOM 962 OE1 GLU A 58 -19.027 -0.299 -8.379 1.00 0.00 O ATOM 963 OE2 GLU A 58 -17.462 0.687 -9.566 1.00 0.00 O ATOM 0 H GLU A 58 -15.584 3.024 -7.055 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.161 2.309 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -15.932 0.617 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.185 0.090 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.768 1.676 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -17.522 2.465 -7.755 1.00 0.00 H new ATOM 970 N GLU A 59 -14.052 1.202 -4.955 1.00 0.00 N ATOM 971 CA GLU A 59 -12.977 0.616 -4.166 1.00 0.00 C ATOM 972 C GLU A 59 -12.722 1.442 -2.909 1.00 0.00 C ATOM 973 O GLU A 59 -12.565 0.894 -1.819 1.00 0.00 O ATOM 974 CB GLU A 59 -11.697 0.516 -4.997 1.00 0.00 C ATOM 975 CG GLU A 59 -11.580 -0.782 -5.779 1.00 0.00 C ATOM 976 CD GLU A 59 -10.349 -0.823 -6.661 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.065 0.192 -7.334 1.00 0.00 O ATOM 978 OE2 GLU A 59 -9.666 -1.868 -6.681 1.00 0.00 O ATOM 0 H GLU A 59 -13.780 1.485 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.281 -0.387 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.659 1.354 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.836 0.611 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.551 -1.620 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.469 -0.911 -6.396 1.00 0.00 H new ATOM 985 N ARG A 60 -12.689 2.762 -3.067 1.00 0.00 N ATOM 986 CA ARG A 60 -12.460 3.659 -1.939 1.00 0.00 C ATOM 987 C ARG A 60 -13.559 3.497 -0.900 1.00 0.00 C ATOM 988 O ARG A 60 -13.286 3.434 0.299 1.00 0.00 O ATOM 989 CB ARG A 60 -12.397 5.115 -2.412 1.00 0.00 C ATOM 990 CG ARG A 60 -11.390 5.357 -3.525 1.00 0.00 C ATOM 991 CD ARG A 60 -10.804 6.759 -3.455 1.00 0.00 C ATOM 992 NE ARG A 60 -11.353 7.632 -4.490 1.00 0.00 N ATOM 993 CZ ARG A 60 -10.782 7.838 -5.676 1.00 0.00 C ATOM 994 NH1 ARG A 60 -9.642 7.233 -5.990 1.00 0.00 N ATOM 995 NH2 ARG A 60 -11.356 8.649 -6.553 1.00 0.00 N ATOM 0 H ARG A 60 -12.818 3.233 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.504 3.398 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.386 5.418 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.147 5.752 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.587 4.623 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.873 5.212 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.006 7.188 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.721 6.705 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.229 8.115 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.197 6.605 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.212 7.396 -6.900 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.233 9.114 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.921 8.808 -7.462 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.805 3.416 -1.361 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.931 3.242 -0.452 1.00 0.00 C ATOM 1011 C LYS A 61 -15.732 1.977 0.372 1.00 0.00 C ATOM 1012 O LYS A 61 -15.922 1.977 1.588 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.245 3.167 -1.236 1.00 0.00 C ATOM 1014 CG LYS A 61 -18.101 4.418 -1.108 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.304 5.097 -2.453 1.00 0.00 C ATOM 1016 CE LYS A 61 -18.208 6.610 -2.333 1.00 0.00 C ATOM 1017 NZ LYS A 61 -19.310 7.173 -1.504 1.00 0.00 N ATOM 0 H LYS A 61 -15.057 3.468 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.982 4.100 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.021 2.996 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.818 2.307 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.070 4.155 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.627 5.114 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.555 4.739 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.279 4.824 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.248 6.879 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.238 7.056 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.208 8.206 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.226 6.939 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.267 6.768 -0.547 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.321 0.907 -0.300 1.00 0.00 N ATOM 1032 CA LYS A 62 -15.062 -0.360 0.367 1.00 0.00 C ATOM 1033 C LYS A 62 -13.843 -0.232 1.272 1.00 0.00 C ATOM 1034 O LYS A 62 -13.782 -0.836 2.342 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.840 -1.470 -0.661 1.00 0.00 C ATOM 1036 CG LYS A 62 -16.128 -1.997 -1.275 1.00 0.00 C ATOM 1037 CD LYS A 62 -16.041 -2.059 -2.792 1.00 0.00 C ATOM 1038 CE LYS A 62 -16.779 -3.268 -3.343 1.00 0.00 C ATOM 1039 NZ LYS A 62 -16.028 -4.532 -3.109 1.00 0.00 N ATOM 0 H LYS A 62 -15.160 0.894 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.930 -0.619 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.196 -1.094 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.310 -2.295 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.339 -2.991 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.960 -1.355 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -16.462 -1.149 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.995 -2.100 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.761 -3.338 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.944 -3.136 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.465 -5.302 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.040 -4.410 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.054 -4.769 -2.097 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.239 7.115 -3.240 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.652 6.101 -2.373 1.00 0.00 C ATOM 1431 C VAL A 88 -5.614 5.269 -3.118 1.00 0.00 C ATOM 1432 O VAL A 88 -5.909 4.670 -4.152 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.731 5.159 -1.799 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.125 4.200 -0.785 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.863 5.962 -1.173 1.00 0.00 C ATOM 0 HA VAL A 88 -6.167 6.631 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.142 4.569 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.903 3.545 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.354 3.599 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.682 4.768 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.615 5.281 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.468 6.580 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.318 6.601 -1.930 1.00 0.00 H new ATOM 1445 N THR A 89 -4.399 5.232 -2.581 1.00 0.00 N ATOM 1446 CA THR A 89 -3.318 4.465 -3.191 1.00 0.00 C ATOM 1447 C THR A 89 -3.288 3.052 -2.625 1.00 0.00 C ATOM 1448 O THR A 89 -3.340 2.860 -1.411 1.00 0.00 O ATOM 1449 CB THR A 89 -1.973 5.155 -2.953 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.988 5.880 -1.735 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.589 6.116 -4.057 1.00 0.00 C ATOM 0 H THR A 89 -4.138 5.723 -1.726 1.00 0.00 H new ATOM 0 HA THR A 89 -3.497 4.410 -4.265 1.00 0.00 H new ATOM 0 HB THR A 89 -1.238 4.351 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.119 6.312 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.626 6.570 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.518 5.576 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.347 6.895 -4.141 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.216 2.062 -3.509 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.193 0.668 -3.085 1.00 0.00 C ATOM 1461 C LEU A 90 -1.862 0.005 -3.415 1.00 0.00 C ATOM 1462 O LEU A 90 -1.242 0.300 -4.438 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.334 -0.106 -3.746 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.628 -0.165 -2.931 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.683 0.746 -3.537 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.144 -1.594 -2.846 1.00 0.00 C ATOM 0 H LEU A 90 -3.173 2.199 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.322 0.651 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.551 0.349 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.998 -1.124 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.411 0.183 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.596 0.691 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.317 1.773 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.894 0.429 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.064 -1.614 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.342 -1.970 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.395 -2.223 -2.365 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.436 -0.900 -2.537 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.185 -1.625 -2.717 1.00 0.00 C ATOM 1480 C LEU A 91 -0.374 -3.106 -2.391 1.00 0.00 C ATOM 1481 O LEU A 91 -1.256 -3.466 -1.613 1.00 0.00 O ATOM 1482 CB LEU A 91 0.893 -1.025 -1.819 1.00 0.00 C ATOM 1483 CG LEU A 91 1.826 -0.023 -2.502 1.00 0.00 C ATOM 1484 CD1 LEU A 91 1.063 1.236 -2.887 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.998 0.316 -1.594 1.00 0.00 C ATOM 0 H LEU A 91 -1.945 -1.149 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 91 0.125 -1.537 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.408 -0.530 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.495 -1.836 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 91 2.218 -0.478 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.741 1.938 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.257 0.977 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.644 1.695 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.652 1.030 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.626 0.753 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.557 -0.592 -1.368 1.00 0.00 H new ATOM 1497 N LYS A 92 0.455 -3.965 -2.984 1.00 0.00 N ATOM 1498 CA LYS A 92 0.357 -5.402 -2.738 1.00 0.00 C ATOM 1499 C LYS A 92 0.946 -5.760 -1.376 1.00 0.00 C ATOM 1500 O LYS A 92 2.119 -5.493 -1.103 1.00 0.00 O ATOM 1501 CB LYS A 92 1.080 -6.188 -3.836 1.00 0.00 C ATOM 1502 CG LYS A 92 0.497 -5.983 -5.221 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.575 -7.010 -5.542 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.455 -7.509 -6.973 1.00 0.00 C ATOM 1505 NZ LYS A 92 -1.713 -8.156 -7.443 1.00 0.00 N ATOM 0 H LYS A 92 1.195 -3.694 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.699 -5.671 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.130 -5.896 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.047 -7.250 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.073 -4.981 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.293 -6.045 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.493 -7.851 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.560 -6.569 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.209 -6.674 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.367 -8.221 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.799 -8.041 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.691 -9.169 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.528 -7.710 -6.976 1.00 0.00 H new ATOM 1519 N ALA A 93 0.125 -6.377 -0.529 1.00 0.00 N ATOM 1520 CA ALA A 93 0.558 -6.781 0.803 1.00 0.00 C ATOM 1521 C ALA A 93 1.856 -7.575 0.737 1.00 0.00 C ATOM 1522 O ALA A 93 2.688 -7.507 1.642 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.528 -7.599 1.485 1.00 0.00 C ATOM 0 H ALA A 93 -0.845 -6.608 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 93 0.741 -5.880 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.191 -7.894 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.434 -7.000 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.738 -8.490 0.894 1.00 0.00 H new ATOM 1529 N SER A 94 2.020 -8.329 -0.343 1.00 0.00 N ATOM 1530 CA SER A 94 3.215 -9.139 -0.536 1.00 0.00 C ATOM 1531 C SER A 94 4.455 -8.263 -0.665 1.00 0.00 C ATOM 1532 O SER A 94 5.500 -8.564 -0.089 1.00 0.00 O ATOM 1533 CB SER A 94 3.065 -10.015 -1.782 1.00 0.00 C ATOM 1534 OG SER A 94 4.023 -11.059 -1.791 1.00 0.00 O ATOM 0 H SER A 94 1.339 -8.396 -1.099 1.00 0.00 H new ATOM 0 HA SER A 94 3.335 -9.777 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.061 -10.438 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.181 -9.403 -2.676 1.00 0.00 H new ATOM 0 HG SER A 94 3.905 -11.605 -2.596 1.00 0.00 H new ATOM 1540 N GLU A 95 4.336 -7.172 -1.416 1.00 0.00 N ATOM 1541 CA GLU A 95 5.460 -6.262 -1.608 1.00 0.00 C ATOM 1542 C GLU A 95 5.814 -5.565 -0.301 1.00 0.00 C ATOM 1543 O GLU A 95 6.977 -5.532 0.104 1.00 0.00 O ATOM 1544 CB GLU A 95 5.139 -5.223 -2.683 1.00 0.00 C ATOM 1545 CG GLU A 95 4.534 -5.810 -3.947 1.00 0.00 C ATOM 1546 CD GLU A 95 5.561 -6.034 -5.039 1.00 0.00 C ATOM 1547 OE1 GLU A 95 5.832 -5.083 -5.803 1.00 0.00 O ATOM 1548 OE2 GLU A 95 6.092 -7.161 -5.132 1.00 0.00 O ATOM 0 H GLU A 95 3.480 -6.898 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 95 6.317 -6.850 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.449 -4.488 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.053 -4.690 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.052 -6.758 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.757 -5.141 -4.317 1.00 0.00 H new ATOM 1555 N VAL A 96 4.802 -5.015 0.359 1.00 0.00 N ATOM 1556 CA VAL A 96 5.011 -4.326 1.624 1.00 0.00 C ATOM 1557 C VAL A 96 5.540 -5.283 2.682 1.00 0.00 C ATOM 1558 O VAL A 96 6.421 -4.935 3.466 1.00 0.00 O ATOM 1559 CB VAL A 96 3.711 -3.679 2.144 1.00 0.00 C ATOM 1560 CG1 VAL A 96 4.016 -2.703 3.271 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.962 -2.983 1.018 1.00 0.00 C ATOM 0 H VAL A 96 3.833 -5.033 0.040 1.00 0.00 H new ATOM 0 HA VAL A 96 5.744 -3.542 1.436 1.00 0.00 H new ATOM 0 HB VAL A 96 3.070 -4.469 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.088 -2.256 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.500 -3.234 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.679 -1.920 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.049 -2.535 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.593 -2.205 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.707 -3.710 0.247 1.00 0.00 H new ATOM 1571 N GLU A 97 4.998 -6.494 2.693 1.00 0.00 N ATOM 1572 CA GLU A 97 5.412 -7.507 3.654 1.00 0.00 C ATOM 1573 C GLU A 97 6.898 -7.807 3.514 1.00 0.00 C ATOM 1574 O GLU A 97 7.623 -7.882 4.506 1.00 0.00 O ATOM 1575 CB GLU A 97 4.599 -8.788 3.464 1.00 0.00 C ATOM 1576 CG GLU A 97 3.323 -8.827 4.287 1.00 0.00 C ATOM 1577 CD GLU A 97 2.560 -10.126 4.119 1.00 0.00 C ATOM 1578 OE1 GLU A 97 1.635 -10.169 3.281 1.00 0.00 O ATOM 1579 OE2 GLU A 97 2.888 -11.102 4.826 1.00 0.00 O ATOM 0 H GLU A 97 4.270 -6.798 2.047 1.00 0.00 H new ATOM 0 HA GLU A 97 5.229 -7.119 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.344 -8.894 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.219 -9.644 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.570 -8.688 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.683 -7.994 3.997 1.00 0.00 H new ATOM 1586 N GLU A 98 7.347 -7.975 2.276 1.00 0.00 N ATOM 1587 CA GLU A 98 8.749 -8.265 2.014 1.00 0.00 C ATOM 1588 C GLU A 98 9.638 -7.127 2.507 1.00 0.00 C ATOM 1589 O GLU A 98 10.632 -7.352 3.203 1.00 0.00 O ATOM 1590 CB GLU A 98 8.971 -8.463 0.518 1.00 0.00 C ATOM 1591 CG GLU A 98 8.073 -9.513 -0.108 1.00 0.00 C ATOM 1592 CD GLU A 98 8.782 -10.837 -0.320 1.00 0.00 C ATOM 1593 OE1 GLU A 98 9.627 -11.198 0.524 1.00 0.00 O ATOM 1594 OE2 GLU A 98 8.491 -11.511 -1.330 1.00 0.00 O ATOM 0 H GLU A 98 6.763 -7.916 1.442 1.00 0.00 H new ATOM 0 HA GLU A 98 9.012 -9.178 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.810 -7.513 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.011 -8.743 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.203 -9.669 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.704 -9.146 -1.065 1.00 0.00 H new ATOM 1601 N ILE A 99 9.270 -5.897 2.158 1.00 0.00 N ATOM 1602 CA ILE A 99 10.047 -4.740 2.578 1.00 0.00 C ATOM 1603 C ILE A 99 10.067 -4.653 4.096 1.00 0.00 C ATOM 1604 O ILE A 99 11.094 -4.345 4.699 1.00 0.00 O ATOM 1605 CB ILE A 99 9.505 -3.421 1.988 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.198 -3.577 0.496 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.516 -2.301 2.197 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.989 -2.791 0.042 1.00 0.00 C ATOM 0 H ILE A 99 8.449 -5.680 1.593 1.00 0.00 H new ATOM 0 HA ILE A 99 11.059 -4.876 2.198 1.00 0.00 H new ATOM 0 HB ILE A 99 8.579 -3.169 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.066 -3.258 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.039 -4.632 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.124 -1.374 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.697 -2.168 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.451 -2.558 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.832 -2.949 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.110 -3.126 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.153 -1.730 0.231 1.00 0.00 H new ATOM 1620 N LEU A 100 8.928 -4.957 4.712 1.00 0.00 N ATOM 1621 CA LEU A 100 8.828 -4.942 6.164 1.00 0.00 C ATOM 1622 C LEU A 100 9.720 -6.027 6.755 1.00 0.00 C ATOM 1623 O LEU A 100 10.329 -5.843 7.808 1.00 0.00 O ATOM 1624 CB LEU A 100 7.378 -5.158 6.608 1.00 0.00 C ATOM 1625 CG LEU A 100 6.424 -3.989 6.342 1.00 0.00 C ATOM 1626 CD1 LEU A 100 5.173 -4.133 7.190 1.00 0.00 C ATOM 1627 CD2 LEU A 100 7.105 -2.655 6.615 1.00 0.00 C ATOM 0 H LEU A 100 8.067 -5.215 4.230 1.00 0.00 H new ATOM 0 HA LEU A 100 9.158 -3.968 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.990 -6.043 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.372 -5.373 7.677 1.00 0.00 H new ATOM 0 HG LEU A 100 6.140 -4.010 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.502 -3.297 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.671 -5.068 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.447 -4.138 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.406 -1.842 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.423 -2.615 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.974 -2.551 5.966 1.00 0.00 H new ATOM 1639 N ASP A 101 9.805 -7.154 6.051 1.00 0.00 N ATOM 1640 CA ASP A 101 10.639 -8.269 6.485 1.00 0.00 C ATOM 1641 C ASP A 101 12.107 -7.986 6.167 1.00 0.00 C ATOM 1642 O ASP A 101 13.005 -8.672 6.655 1.00 0.00 O ATOM 1643 CB ASP A 101 10.195 -9.565 5.803 1.00 0.00 C ATOM 1644 CG ASP A 101 9.033 -10.224 6.519 1.00 0.00 C ATOM 1645 OD1 ASP A 101 8.337 -9.528 7.289 1.00 0.00 O ATOM 1646 OD2 ASP A 101 8.818 -11.437 6.312 1.00 0.00 O ATOM 0 H ASP A 101 9.305 -7.318 5.177 1.00 0.00 H new ATOM 0 HA ASP A 101 10.527 -8.385 7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.910 -9.351 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.035 -10.258 5.764 1.00 0.00 H new ATOM 1651 N GLY A 102 12.333 -6.966 5.344 1.00 0.00 N ATOM 1652 CA GLY A 102 13.681 -6.588 4.960 1.00 0.00 C ATOM 1653 C GLY A 102 14.057 -7.086 3.580 1.00 0.00 C ATOM 1654 O GLY A 102 15.181 -6.876 3.122 1.00 0.00 O ATOM 0 H GLY A 102 11.598 -6.390 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.771 -5.502 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.387 -6.985 5.690 1.00 0.00 H new ATOM 1658 N ASN A 103 13.104 -7.711 2.897 1.00 0.00 N ATOM 1659 CA ASN A 103 13.331 -8.196 1.546 1.00 0.00 C ATOM 1660 C ASN A 103 12.643 -7.268 0.552 1.00 0.00 C ATOM 1661 O ASN A 103 11.417 -7.209 0.501 1.00 0.00 O ATOM 1662 CB ASN A 103 12.801 -9.622 1.390 1.00 0.00 C ATOM 1663 CG ASN A 103 13.176 -10.235 0.055 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.352 -10.293 -0.305 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.175 -10.695 -0.686 1.00 0.00 N ATOM 0 H ASN A 103 12.168 -7.892 3.259 1.00 0.00 H new ATOM 0 HA ASN A 103 14.403 -8.207 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.194 -10.243 2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.716 -9.617 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.365 -11.118 -1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.216 -10.626 -0.347 1.00 0.00 H new ATOM 1672 N ASP A 104 13.423 -6.536 -0.227 1.00 0.00 N ATOM 1673 CA ASP A 104 12.841 -5.612 -1.196 1.00 0.00 C ATOM 1674 C ASP A 104 13.856 -5.143 -2.235 1.00 0.00 C ATOM 1675 O ASP A 104 13.618 -4.163 -2.939 1.00 0.00 O ATOM 1676 CB ASP A 104 12.257 -4.404 -0.464 1.00 0.00 C ATOM 1677 CG ASP A 104 13.235 -3.794 0.520 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.741 -4.533 1.389 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.495 -2.576 0.423 1.00 0.00 O ATOM 0 H ASP A 104 14.443 -6.559 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 104 12.055 -6.148 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.961 -3.649 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.354 -4.706 0.066 1.00 0.00 H new ATOM 1684 N GLU A 105 14.977 -5.845 -2.336 1.00 0.00 N ATOM 1685 CA GLU A 105 16.022 -5.491 -3.293 1.00 0.00 C ATOM 1686 C GLU A 105 15.468 -5.424 -4.712 1.00 0.00 C ATOM 1687 O GLU A 105 15.775 -4.503 -5.468 1.00 0.00 O ATOM 1688 CB GLU A 105 17.166 -6.505 -3.226 1.00 0.00 C ATOM 1689 CG GLU A 105 18.358 -6.025 -2.413 1.00 0.00 C ATOM 1690 CD GLU A 105 19.502 -7.020 -2.414 1.00 0.00 C ATOM 1691 OE1 GLU A 105 20.671 -6.581 -2.386 1.00 0.00 O ATOM 1692 OE2 GLU A 105 19.229 -8.239 -2.442 1.00 0.00 O ATOM 0 H GLU A 105 15.188 -6.665 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 105 16.402 -4.504 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.793 -7.434 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.497 -6.735 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.708 -5.074 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.042 -5.841 -1.386 1.00 0.00 H new ATOM 1699 N LYS A 106 14.652 -6.407 -5.064 1.00 0.00 N ATOM 1700 CA LYS A 106 14.052 -6.463 -6.391 1.00 0.00 C ATOM 1701 C LYS A 106 13.123 -5.276 -6.621 1.00 0.00 C ATOM 1702 O LYS A 106 12.882 -4.874 -7.759 1.00 0.00 O ATOM 1703 CB LYS A 106 13.282 -7.772 -6.572 1.00 0.00 C ATOM 1704 CG LYS A 106 12.091 -7.910 -5.636 1.00 0.00 C ATOM 1705 CD LYS A 106 12.351 -8.942 -4.549 1.00 0.00 C ATOM 1706 CE LYS A 106 11.944 -10.336 -4.996 1.00 0.00 C ATOM 1707 NZ LYS A 106 11.637 -11.223 -3.839 1.00 0.00 N ATOM 0 H LYS A 106 14.389 -7.178 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 106 14.856 -6.418 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.934 -7.840 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.961 -8.609 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.873 -6.945 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.209 -8.197 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.409 -8.937 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.798 -8.671 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.070 -10.269 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.746 -10.776 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.986 -11.976 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.517 -11.648 -3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.193 -10.665 -3.082 1.00 0.00 H new ATOM 1721 N TYR A 107 12.596 -4.721 -5.533 1.00 0.00 N ATOM 1722 CA TYR A 107 11.691 -3.589 -5.614 1.00 0.00 C ATOM 1723 C TYR A 107 12.456 -2.272 -5.718 1.00 0.00 C ATOM 1724 O TYR A 107 12.125 -1.414 -6.536 1.00 0.00 O ATOM 1725 CB TYR A 107 10.796 -3.562 -4.381 1.00 0.00 C ATOM 1726 CG TYR A 107 10.081 -4.861 -4.102 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.432 -5.554 -5.114 1.00 0.00 C ATOM 1728 CD2 TYR A 107 10.050 -5.390 -2.819 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.773 -6.740 -4.855 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.394 -6.573 -2.551 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.756 -7.246 -3.571 1.00 0.00 C ATOM 1732 OH TYR A 107 8.103 -8.429 -3.311 1.00 0.00 O ATOM 0 H TYR A 107 12.784 -5.042 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 107 11.085 -3.702 -6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.401 -3.301 -3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.055 -2.772 -4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.442 -5.160 -6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.548 -4.866 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.273 -7.269 -5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.380 -6.970 -1.547 1.00 0.00 H new ATOM 0 HH TYR A 107 7.255 -8.449 -3.802 1.00 0.00 H new ATOM 1742 N LYS A 108 13.473 -2.113 -4.874 1.00 0.00 N ATOM 1743 CA LYS A 108 14.274 -0.888 -4.869 1.00 0.00 C ATOM 1744 C LYS A 108 15.063 -0.733 -6.169 1.00 0.00 C ATOM 1745 O LYS A 108 15.591 0.341 -6.456 1.00 0.00 O ATOM 1746 CB LYS A 108 15.252 -0.852 -3.680 1.00 0.00 C ATOM 1747 CG LYS A 108 14.974 -1.866 -2.584 1.00 0.00 C ATOM 1748 CD LYS A 108 15.773 -1.559 -1.327 1.00 0.00 C ATOM 1749 CE LYS A 108 15.534 -0.137 -0.844 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.492 -0.051 0.642 1.00 0.00 N ATOM 0 H LYS A 108 13.762 -2.811 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 108 13.572 -0.060 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.262 -1.015 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.231 0.146 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.910 -1.867 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.223 -2.866 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.499 -2.262 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.835 -1.702 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.324 0.512 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.594 0.232 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.545 0.252 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.705 -0.984 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.198 0.639 0.970 1.00 0.00 H new ATOM 1764 N ALA A 109 15.158 -1.811 -6.946 1.00 0.00 N ATOM 1765 CA ALA A 109 15.905 -1.781 -8.199 1.00 0.00 C ATOM 1766 C ALA A 109 15.008 -2.011 -9.411 1.00 0.00 C ATOM 1767 O ALA A 109 15.482 -2.446 -10.461 1.00 0.00 O ATOM 1768 CB ALA A 109 17.007 -2.825 -8.167 1.00 0.00 C ATOM 0 H ALA A 109 14.729 -2.711 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 109 16.339 -0.786 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.561 -2.798 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.684 -2.614 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.568 -3.814 -8.034 1.00 0.00 H new