USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 26 THR OG1 : rot 130:sc= -0.023 USER MOD Single : A 30 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -4.21! C(o=-4.2!,f=-7.5!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -65:sc= -1.77 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -3.49 F(o=-5,f=-3.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 63 SER OG : rot 180:sc= -0.205 USER MOD Single : A 67 SER OG : rot 4:sc= 0.971 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 77 ASN : amide:sc= 0.305 K(o=0.3,f=-4.2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0822 K(o=-0.082,f=-1.8!) USER MOD Single : A 88 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-0.86) USER MOD Single : A 89 ASN : amide:sc= -0.725 X(o=-0.72,f=-0.71) USER MOD Single : A 91 THR OG1 : rot 43:sc= 0.0745 USER MOD Single : A 92 CYS SG : rot 49:sc= 0.619 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -178:sc= -0.513 USER MOD Single : A 108 SER OG : rot -110:sc= -0.445 USER MOD Single : A 112 LYS NZ :NH3+ -144:sc= -0.307 (180deg=-1.69!) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.207 7.077 9.940 1.00 0.00 N ATOM 200 CA ALA A 17 -13.137 6.545 9.105 1.00 0.00 C ATOM 201 C ALA A 17 -11.839 7.315 9.321 1.00 0.00 C ATOM 202 O ALA A 17 -11.835 8.460 9.773 1.00 0.00 O ATOM 203 CB ALA A 17 -13.541 6.587 7.639 1.00 0.00 C ATOM 0 HA ALA A 17 -12.966 5.508 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.733 6.187 7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.439 5.987 7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.741 7.618 7.346 1.00 0.00 H new ATOM 209 N PRO A 18 -10.708 6.673 8.990 1.00 0.00 N ATOM 210 CA PRO A 18 -9.382 7.279 9.139 1.00 0.00 C ATOM 211 C PRO A 18 -9.146 8.411 8.145 1.00 0.00 C ATOM 212 O PRO A 18 -8.640 8.187 7.045 1.00 0.00 O ATOM 213 CB PRO A 18 -8.427 6.116 8.862 1.00 0.00 C ATOM 214 CG PRO A 18 -9.206 5.183 8.001 1.00 0.00 C ATOM 215 CD PRO A 18 -10.637 5.307 8.446 1.00 0.00 C ATOM 0 HA PRO A 18 -9.250 7.732 10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.523 6.458 8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.113 5.632 9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.101 5.444 6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.850 4.159 8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.329 5.169 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.890 4.561 9.199 1.00 0.00 H new ATOM 223 N SER A 19 -9.515 9.625 8.538 1.00 0.00 N ATOM 224 CA SER A 19 -9.347 10.791 7.679 1.00 0.00 C ATOM 225 C SER A 19 -7.906 11.291 7.717 1.00 0.00 C ATOM 226 O SER A 19 -7.655 12.493 7.801 1.00 0.00 O ATOM 227 CB SER A 19 -10.298 11.910 8.110 1.00 0.00 C ATOM 228 OG SER A 19 -11.555 11.786 7.468 1.00 0.00 O ATOM 0 H SER A 19 -9.933 9.827 9.446 1.00 0.00 H new ATOM 0 HA SER A 19 -9.584 10.495 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.434 11.880 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.858 12.878 7.871 1.00 0.00 H new ATOM 0 HG SER A 19 -12.145 12.511 7.761 1.00 0.00 H new ATOM 234 N VAL A 20 -6.961 10.358 7.655 1.00 0.00 N ATOM 235 CA VAL A 20 -5.544 10.701 7.681 1.00 0.00 C ATOM 236 C VAL A 20 -4.692 9.560 7.138 1.00 0.00 C ATOM 237 O VAL A 20 -5.008 8.387 7.336 1.00 0.00 O ATOM 238 CB VAL A 20 -5.076 11.043 9.108 1.00 0.00 C ATOM 239 CG1 VAL A 20 -5.844 12.238 9.651 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.233 9.837 10.023 1.00 0.00 C ATOM 0 H VAL A 20 -7.151 9.358 7.586 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.419 11.578 7.045 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.019 11.308 9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.499 12.464 10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.675 13.102 9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.909 12.006 9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.898 10.096 11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.281 9.539 10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.633 9.011 9.642 1.00 0.00 H new ATOM 250 N ALA A 21 -3.610 9.912 6.452 1.00 0.00 N ATOM 251 CA ALA A 21 -2.710 8.918 5.881 1.00 0.00 C ATOM 252 C ALA A 21 -1.426 8.806 6.697 1.00 0.00 C ATOM 253 O ALA A 21 -1.136 9.636 7.559 1.00 0.00 O ATOM 254 CB ALA A 21 -2.389 9.263 4.435 1.00 0.00 C ATOM 0 H ALA A 21 -3.335 10.879 6.278 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.213 7.952 5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.716 8.511 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.310 9.284 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.910 10.241 4.392 1.00 0.00 H new ATOM 260 N PRO A 22 -0.638 7.757 6.422 1.00 0.00 N ATOM 261 CA PRO A 22 0.628 7.512 7.120 1.00 0.00 C ATOM 262 C PRO A 22 1.698 8.536 6.756 1.00 0.00 C ATOM 263 O PRO A 22 1.749 9.021 5.625 1.00 0.00 O ATOM 264 CB PRO A 22 1.036 6.118 6.637 1.00 0.00 C ATOM 265 CG PRO A 22 0.372 5.967 5.312 1.00 0.00 C ATOM 266 CD PRO A 22 -0.921 6.728 5.407 1.00 0.00 C ATOM 0 HA PRO A 22 0.518 7.588 8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.119 6.031 6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.709 5.346 7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.000 6.363 4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.191 4.917 5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.197 7.172 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.746 6.082 5.708 1.00 0.00 H new ATOM 274 N LEU A 23 2.551 8.861 7.721 1.00 0.00 N ATOM 275 CA LEU A 23 3.622 9.827 7.502 1.00 0.00 C ATOM 276 C LEU A 23 4.935 9.122 7.182 1.00 0.00 C ATOM 277 O LEU A 23 4.977 7.900 7.043 1.00 0.00 O ATOM 278 CB LEU A 23 3.794 10.715 8.736 1.00 0.00 C ATOM 279 CG LEU A 23 2.532 10.974 9.558 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.389 9.934 10.659 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.557 12.377 10.148 1.00 0.00 C ATOM 0 H LEU A 23 2.522 8.470 8.663 1.00 0.00 H new ATOM 0 HA LEU A 23 3.348 10.448 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.540 10.258 9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.197 11.675 8.414 1.00 0.00 H new ATOM 0 HG LEU A 23 1.669 10.895 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.485 10.135 11.234 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.324 8.941 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.256 9.981 11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.650 12.543 10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.428 12.484 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.611 13.110 9.343 1.00 0.00 H new ATOM 293 N ASN A 24 6.007 9.900 7.067 1.00 0.00 N ATOM 294 CA ASN A 24 7.323 9.349 6.765 1.00 0.00 C ATOM 295 C ASN A 24 7.220 8.227 5.737 1.00 0.00 C ATOM 296 O ASN A 24 7.866 7.187 5.869 1.00 0.00 O ATOM 297 CB ASN A 24 7.986 8.828 8.041 1.00 0.00 C ATOM 298 CG ASN A 24 8.819 9.888 8.735 1.00 0.00 C ATOM 299 OD1 ASN A 24 10.041 9.772 8.826 1.00 0.00 O ATOM 300 ND2 ASN A 24 8.159 10.929 9.229 1.00 0.00 N ATOM 0 H ASN A 24 5.990 10.914 7.178 1.00 0.00 H new ATOM 0 HA ASN A 24 7.936 10.147 6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.218 8.468 8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.619 7.975 7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.666 11.674 9.707 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.145 10.984 9.130 1.00 0.00 H new ATOM 307 N VAL A 25 6.402 8.444 4.712 1.00 0.00 N ATOM 308 CA VAL A 25 6.215 7.452 3.659 1.00 0.00 C ATOM 309 C VAL A 25 7.383 7.463 2.680 1.00 0.00 C ATOM 310 O VAL A 25 7.615 8.451 1.983 1.00 0.00 O ATOM 311 CB VAL A 25 4.907 7.696 2.884 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.887 6.882 1.599 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.703 7.364 3.753 1.00 0.00 C ATOM 0 H VAL A 25 5.858 9.298 4.588 1.00 0.00 H new ATOM 0 HA VAL A 25 6.163 6.479 4.147 1.00 0.00 H new ATOM 0 HB VAL A 25 4.855 8.752 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.955 7.068 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.729 7.173 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.963 5.821 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.787 7.542 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.747 6.317 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.711 7.995 4.642 1.00 0.00 H new ATOM 323 N THR A 26 8.118 6.356 2.631 1.00 0.00 N ATOM 324 CA THR A 26 9.263 6.238 1.737 1.00 0.00 C ATOM 325 C THR A 26 9.357 4.835 1.147 1.00 0.00 C ATOM 326 O THR A 26 8.853 3.872 1.725 1.00 0.00 O ATOM 327 CB THR A 26 10.580 6.566 2.465 1.00 0.00 C ATOM 328 OG1 THR A 26 10.646 5.850 3.703 1.00 0.00 O ATOM 329 CG2 THR A 26 10.694 8.059 2.729 1.00 0.00 C ATOM 0 H THR A 26 7.940 5.528 3.200 1.00 0.00 H new ATOM 0 HA THR A 26 9.112 6.958 0.933 1.00 0.00 H new ATOM 0 HB THR A 26 11.409 6.262 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.507 5.387 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.632 8.267 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.673 8.599 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.859 8.383 3.350 1.00 0.00 H new ATOM 337 N VAL A 27 10.007 4.726 -0.007 1.00 0.00 N ATOM 338 CA VAL A 27 10.169 3.440 -0.675 1.00 0.00 C ATOM 339 C VAL A 27 11.540 3.331 -1.332 1.00 0.00 C ATOM 340 O VAL A 27 11.897 4.141 -2.189 1.00 0.00 O ATOM 341 CB VAL A 27 9.081 3.221 -1.743 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.298 1.898 -2.463 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.698 3.275 -1.113 1.00 0.00 C ATOM 0 H VAL A 27 10.430 5.513 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 27 10.075 2.671 0.092 1.00 0.00 H new ATOM 0 HB VAL A 27 9.151 4.023 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.520 1.760 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.274 1.904 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.256 1.081 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.942 3.118 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.612 2.496 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.547 4.250 -0.649 1.00 0.00 H new ATOM 353 N PHE A 28 12.307 2.324 -0.926 1.00 0.00 N ATOM 354 CA PHE A 28 13.640 2.109 -1.475 1.00 0.00 C ATOM 355 C PHE A 28 13.662 0.884 -2.386 1.00 0.00 C ATOM 356 O PHE A 28 13.196 -0.192 -2.009 1.00 0.00 O ATOM 357 CB PHE A 28 14.658 1.937 -0.346 1.00 0.00 C ATOM 358 CG PHE A 28 14.884 3.189 0.453 1.00 0.00 C ATOM 359 CD1 PHE A 28 13.976 3.579 1.425 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.003 3.975 0.232 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.181 4.730 2.162 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.213 5.127 0.967 1.00 0.00 C ATOM 363 CZ PHE A 28 15.301 5.505 1.932 1.00 0.00 C ATOM 0 H PHE A 28 12.028 1.644 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 28 13.908 2.985 -2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 28 14.318 1.146 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.607 1.610 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.099 2.977 1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.719 3.685 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.466 5.023 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.090 5.731 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.463 6.405 2.506 1.00 0.00 H new ATOM 373 N LEU A 29 14.207 1.056 -3.585 1.00 0.00 N ATOM 374 CA LEU A 29 14.290 -0.034 -4.551 1.00 0.00 C ATOM 375 C LEU A 29 15.601 -0.798 -4.398 1.00 0.00 C ATOM 376 O LEU A 29 16.658 -0.327 -4.815 1.00 0.00 O ATOM 377 CB LEU A 29 14.167 0.510 -5.976 1.00 0.00 C ATOM 378 CG LEU A 29 14.589 -0.441 -7.096 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.574 -1.562 -7.255 1.00 0.00 C ATOM 380 CD2 LEU A 29 14.757 0.318 -8.405 1.00 0.00 C ATOM 0 H LEU A 29 14.598 1.940 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 29 13.466 -0.721 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.130 0.800 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.768 1.416 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 29 15.549 -0.883 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.891 -2.229 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.503 -2.123 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.600 -1.139 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.058 -0.375 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.812 0.788 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.522 1.085 -8.285 1.00 0.00 H new ATOM 392 N ASN A 30 15.522 -1.982 -3.798 1.00 0.00 N ATOM 393 CA ASN A 30 16.703 -2.814 -3.591 1.00 0.00 C ATOM 394 C ASN A 30 17.221 -3.362 -4.917 1.00 0.00 C ATOM 395 O ASN A 30 16.535 -4.126 -5.595 1.00 0.00 O ATOM 396 CB ASN A 30 16.379 -3.968 -2.641 1.00 0.00 C ATOM 397 CG ASN A 30 16.416 -3.546 -1.185 1.00 0.00 C ATOM 398 OD1 ASN A 30 17.284 -3.976 -0.425 1.00 0.00 O ATOM 399 ND2 ASN A 30 15.471 -2.701 -0.790 1.00 0.00 N ATOM 0 H ASN A 30 14.654 -2.387 -3.447 1.00 0.00 H new ATOM 0 HA ASN A 30 17.481 -2.194 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.391 -4.363 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.092 -4.777 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.444 -2.382 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.772 -2.371 -1.455 1.00 0.00 H new ATOM 406 N GLU A 31 18.438 -2.966 -5.280 1.00 0.00 N ATOM 407 CA GLU A 31 19.048 -3.418 -6.525 1.00 0.00 C ATOM 408 C GLU A 31 19.752 -4.757 -6.331 1.00 0.00 C ATOM 409 O GLU A 31 19.908 -5.532 -7.275 1.00 0.00 O ATOM 410 CB GLU A 31 20.043 -2.375 -7.039 1.00 0.00 C ATOM 411 CG GLU A 31 19.382 -1.133 -7.612 1.00 0.00 C ATOM 412 CD GLU A 31 20.367 -0.218 -8.314 1.00 0.00 C ATOM 413 OE1 GLU A 31 20.998 0.613 -7.628 1.00 0.00 O ATOM 414 OE2 GLU A 31 20.507 -0.335 -9.549 1.00 0.00 O ATOM 0 H GLU A 31 19.020 -2.334 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 31 18.256 -3.548 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.703 -2.081 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.669 -2.830 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.605 -1.432 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.891 -0.584 -6.809 1.00 0.00 H new ATOM 421 N SER A 32 20.177 -5.023 -5.100 1.00 0.00 N ATOM 422 CA SER A 32 20.869 -6.266 -4.781 1.00 0.00 C ATOM 423 C SER A 32 19.872 -7.393 -4.528 1.00 0.00 C ATOM 424 O SER A 32 20.216 -8.572 -4.614 1.00 0.00 O ATOM 425 CB SER A 32 21.765 -6.077 -3.556 1.00 0.00 C ATOM 426 OG SER A 32 22.725 -7.115 -3.460 1.00 0.00 O ATOM 0 H SER A 32 20.054 -4.394 -4.307 1.00 0.00 H new ATOM 0 HA SER A 32 21.489 -6.537 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.272 -5.114 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.153 -6.059 -2.654 1.00 0.00 H new ATOM 0 HG SER A 32 23.286 -6.970 -2.670 1.00 0.00 H new ATOM 432 N SER A 33 18.635 -7.021 -4.215 1.00 0.00 N ATOM 433 CA SER A 33 17.588 -8.000 -3.945 1.00 0.00 C ATOM 434 C SER A 33 16.319 -7.667 -4.724 1.00 0.00 C ATOM 435 O SER A 33 15.736 -6.596 -4.553 1.00 0.00 O ATOM 436 CB SER A 33 17.282 -8.050 -2.447 1.00 0.00 C ATOM 437 OG SER A 33 18.274 -8.782 -1.748 1.00 0.00 O ATOM 0 H SER A 33 18.333 -6.049 -4.142 1.00 0.00 H new ATOM 0 HA SER A 33 17.946 -8.977 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.226 -7.036 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.306 -8.509 -2.287 1.00 0.00 H new ATOM 0 HG SER A 33 18.056 -8.798 -0.793 1.00 0.00 H new ATOM 443 N ASP A 34 15.899 -8.591 -5.580 1.00 0.00 N ATOM 444 CA ASP A 34 14.699 -8.398 -6.386 1.00 0.00 C ATOM 445 C ASP A 34 13.481 -8.159 -5.498 1.00 0.00 C ATOM 446 O ASP A 34 12.683 -9.065 -5.266 1.00 0.00 O ATOM 447 CB ASP A 34 14.460 -9.613 -7.283 1.00 0.00 C ATOM 448 CG ASP A 34 13.629 -9.276 -8.506 1.00 0.00 C ATOM 449 OD1 ASP A 34 14.153 -8.590 -9.409 1.00 0.00 O ATOM 450 OD2 ASP A 34 12.455 -9.697 -8.559 1.00 0.00 O ATOM 0 H ASP A 34 16.372 -9.482 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 34 14.849 -7.518 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.420 -10.021 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.957 -10.391 -6.709 1.00 0.00 H new ATOM 455 N ASN A 35 13.347 -6.932 -5.005 1.00 0.00 N ATOM 456 CA ASN A 35 12.227 -6.573 -4.142 1.00 0.00 C ATOM 457 C ASN A 35 12.226 -5.077 -3.846 1.00 0.00 C ATOM 458 O ASN A 35 13.190 -4.373 -4.145 1.00 0.00 O ATOM 459 CB ASN A 35 12.293 -7.363 -2.833 1.00 0.00 C ATOM 460 CG ASN A 35 13.343 -6.821 -1.883 1.00 0.00 C ATOM 461 OD1 ASN A 35 13.336 -5.639 -1.541 1.00 0.00 O ATOM 462 ND2 ASN A 35 14.253 -7.687 -1.451 1.00 0.00 N ATOM 0 H ASN A 35 14.000 -6.170 -5.188 1.00 0.00 H new ATOM 0 HA ASN A 35 11.303 -6.822 -4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.318 -7.336 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.511 -8.408 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.984 -7.381 -0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.220 -8.658 -1.761 1.00 0.00 H new ATOM 469 N VAL A 36 11.136 -4.597 -3.256 1.00 0.00 N ATOM 470 CA VAL A 36 11.008 -3.184 -2.917 1.00 0.00 C ATOM 471 C VAL A 36 10.776 -2.996 -1.423 1.00 0.00 C ATOM 472 O VAL A 36 10.019 -3.743 -0.802 1.00 0.00 O ATOM 473 CB VAL A 36 9.853 -2.524 -3.692 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.782 -1.036 -3.381 1.00 0.00 C ATOM 475 CG2 VAL A 36 10.012 -2.757 -5.187 1.00 0.00 C ATOM 0 H VAL A 36 10.328 -5.166 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 36 11.946 -2.705 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 36 8.917 -2.983 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.960 -0.587 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.617 -0.895 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.719 -0.559 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.187 -2.284 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.955 -2.327 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.008 -3.828 -5.391 1.00 0.00 H new ATOM 485 N ASP A 37 11.433 -1.993 -0.849 1.00 0.00 N ATOM 486 CA ASP A 37 11.297 -1.705 0.573 1.00 0.00 C ATOM 487 C ASP A 37 10.379 -0.508 0.800 1.00 0.00 C ATOM 488 O ASP A 37 10.372 0.440 0.014 1.00 0.00 O ATOM 489 CB ASP A 37 12.669 -1.435 1.194 1.00 0.00 C ATOM 490 CG ASP A 37 12.720 -1.799 2.665 1.00 0.00 C ATOM 491 OD1 ASP A 37 11.973 -1.184 3.454 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.508 -2.697 3.028 1.00 0.00 O ATOM 0 H ASP A 37 12.065 -1.366 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 37 10.854 -2.577 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.427 -2.004 0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.918 -0.380 1.075 1.00 0.00 H new ATOM 497 N ILE A 38 9.604 -0.559 1.879 1.00 0.00 N ATOM 498 CA ILE A 38 8.682 0.521 2.208 1.00 0.00 C ATOM 499 C ILE A 38 8.634 0.763 3.713 1.00 0.00 C ATOM 500 O ILE A 38 8.638 -0.181 4.504 1.00 0.00 O ATOM 501 CB ILE A 38 7.259 0.220 1.702 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.305 -0.294 0.262 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.389 1.465 1.799 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.438 -1.798 0.162 1.00 0.00 C ATOM 0 H ILE A 38 9.597 -1.336 2.539 1.00 0.00 H new ATOM 0 HA ILE A 38 9.054 1.416 1.710 1.00 0.00 H new ATOM 0 HB ILE A 38 6.821 -0.555 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.398 0.018 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.144 0.172 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.386 1.237 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.335 1.791 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.822 2.260 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.464 -2.092 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.359 -2.115 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.586 -2.272 0.650 1.00 0.00 H new ATOM 516 N ARG A 39 8.587 2.033 4.102 1.00 0.00 N ATOM 517 CA ARG A 39 8.538 2.399 5.512 1.00 0.00 C ATOM 518 C ARG A 39 7.674 3.640 5.721 1.00 0.00 C ATOM 519 O ARG A 39 7.737 4.590 4.941 1.00 0.00 O ATOM 520 CB ARG A 39 9.949 2.650 6.046 1.00 0.00 C ATOM 521 CG ARG A 39 9.987 3.562 7.261 1.00 0.00 C ATOM 522 CD ARG A 39 10.123 5.022 6.858 1.00 0.00 C ATOM 523 NE ARG A 39 11.520 5.428 6.733 1.00 0.00 N ATOM 524 CZ ARG A 39 12.330 5.605 7.771 1.00 0.00 C ATOM 525 NH1 ARG A 39 11.884 5.414 9.004 1.00 0.00 N ATOM 526 NH2 ARG A 39 13.589 5.975 7.576 1.00 0.00 N ATOM 0 H ARG A 39 8.582 2.826 3.460 1.00 0.00 H new ATOM 0 HA ARG A 39 8.092 1.570 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.406 1.695 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.555 3.089 5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.077 3.428 7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.823 3.281 7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.612 5.185 5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.628 5.650 7.599 1.00 0.00 H new ATOM 0 HE ARG A 39 11.895 5.584 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.916 5.130 9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.508 5.551 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.936 6.124 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.210 6.111 8.374 1.00 0.00 H new ATOM 540 N TRP A 40 6.870 3.623 6.778 1.00 0.00 N ATOM 541 CA TRP A 40 5.994 4.747 7.090 1.00 0.00 C ATOM 542 C TRP A 40 5.934 4.989 8.594 1.00 0.00 C ATOM 543 O TRP A 40 6.640 4.341 9.365 1.00 0.00 O ATOM 544 CB TRP A 40 4.588 4.490 6.545 1.00 0.00 C ATOM 545 CG TRP A 40 3.991 3.201 7.026 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.111 3.040 8.057 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.234 1.894 6.494 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.791 1.711 8.199 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.466 0.988 7.252 1.00 0.00 C ATOM 550 CE3 TRP A 40 5.023 1.401 5.451 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.467 -0.381 6.998 1.00 0.00 C ATOM 552 CZ3 TRP A 40 5.023 0.042 5.201 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.249 -0.836 5.971 1.00 0.00 C ATOM 0 H TRP A 40 6.806 2.844 7.433 1.00 0.00 H new ATOM 0 HA TRP A 40 6.403 5.638 6.614 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.937 5.315 6.836 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.624 4.481 5.456 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.723 3.839 8.671 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.154 1.326 8.896 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.622 2.070 4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.872 -1.060 7.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.630 -0.350 4.398 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.270 -1.893 5.750 1.00 0.00 H new ATOM 564 N MET A 41 5.086 5.927 9.004 1.00 0.00 N ATOM 565 CA MET A 41 4.934 6.253 10.417 1.00 0.00 C ATOM 566 C MET A 41 3.480 6.103 10.856 1.00 0.00 C ATOM 567 O MET A 41 2.576 6.019 10.026 1.00 0.00 O ATOM 568 CB MET A 41 5.415 7.680 10.688 1.00 0.00 C ATOM 569 CG MET A 41 6.889 7.765 11.051 1.00 0.00 C ATOM 570 SD MET A 41 7.177 7.614 12.824 1.00 0.00 S ATOM 571 CE MET A 41 7.275 9.338 13.300 1.00 0.00 C ATOM 0 H MET A 41 4.494 6.474 8.378 1.00 0.00 H new ATOM 0 HA MET A 41 5.543 5.556 10.992 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.231 8.291 9.804 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.824 8.106 11.499 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.434 6.978 10.530 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.291 8.716 10.701 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.451 9.410 14.373 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.095 9.817 12.765 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.339 9.838 13.052 1.00 0.00 H new ATOM 581 N LYS A 42 3.263 6.069 12.167 1.00 0.00 N ATOM 582 CA LYS A 42 1.920 5.929 12.717 1.00 0.00 C ATOM 583 C LYS A 42 1.166 7.254 12.654 1.00 0.00 C ATOM 584 O LYS A 42 1.582 8.260 13.228 1.00 0.00 O ATOM 585 CB LYS A 42 1.989 5.438 14.164 1.00 0.00 C ATOM 586 CG LYS A 42 1.922 3.926 14.297 1.00 0.00 C ATOM 587 CD LYS A 42 3.291 3.290 14.128 1.00 0.00 C ATOM 588 CE LYS A 42 3.577 2.962 12.670 1.00 0.00 C ATOM 589 NZ LYS A 42 4.541 1.835 12.534 1.00 0.00 N ATOM 0 H LYS A 42 4.001 6.137 12.868 1.00 0.00 H new ATOM 0 HA LYS A 42 1.382 5.196 12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.915 5.793 14.616 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.169 5.881 14.729 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.516 3.663 15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.238 3.524 13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.057 3.967 14.507 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.347 2.379 14.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.645 2.706 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.977 3.845 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.710 1.642 11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.439 2.089 12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.148 0.986 12.988 1.00 0.00 H new ATOM 603 N PRO A 43 0.030 7.255 11.941 1.00 0.00 N ATOM 604 CA PRO A 43 -0.807 8.449 11.789 1.00 0.00 C ATOM 605 C PRO A 43 -1.505 8.838 13.087 1.00 0.00 C ATOM 606 O PRO A 43 -1.648 8.033 14.008 1.00 0.00 O ATOM 607 CB PRO A 43 -1.834 8.030 10.734 1.00 0.00 C ATOM 608 CG PRO A 43 -1.906 6.546 10.845 1.00 0.00 C ATOM 609 CD PRO A 43 -0.526 6.092 11.231 1.00 0.00 C ATOM 0 HA PRO A 43 -0.221 9.324 11.509 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.805 8.489 10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.524 8.338 9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.639 6.246 11.594 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.214 6.099 9.900 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.557 5.209 11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.071 5.832 10.357 1.00 0.00 H new ATOM 617 N PRO A 44 -1.952 10.100 13.165 1.00 0.00 N ATOM 618 CA PRO A 44 -2.645 10.623 14.347 1.00 0.00 C ATOM 619 C PRO A 44 -4.033 10.017 14.521 1.00 0.00 C ATOM 620 O PRO A 44 -4.794 10.423 15.400 1.00 0.00 O ATOM 621 CB PRO A 44 -2.748 12.123 14.062 1.00 0.00 C ATOM 622 CG PRO A 44 -2.706 12.231 12.577 1.00 0.00 C ATOM 623 CD PRO A 44 -1.817 11.113 12.106 1.00 0.00 C ATOM 0 HA PRO A 44 -2.114 10.386 15.269 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.672 12.539 14.463 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.925 12.671 14.522 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.705 12.141 12.151 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.313 13.199 12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.136 10.727 11.138 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.784 11.441 11.994 1.00 0.00 H new ATOM 735 N LEU A 52 -6.078 2.114 15.119 1.00 0.00 N ATOM 736 CA LEU A 52 -5.657 1.539 13.846 1.00 0.00 C ATOM 737 C LEU A 52 -5.418 0.038 13.979 1.00 0.00 C ATOM 738 O LEU A 52 -4.831 -0.424 14.958 1.00 0.00 O ATOM 739 CB LEU A 52 -4.384 2.227 13.349 1.00 0.00 C ATOM 740 CG LEU A 52 -3.466 1.384 12.464 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.715 2.266 11.479 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.492 0.583 13.316 1.00 0.00 C ATOM 0 HA LEU A 52 -6.456 1.699 13.122 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.671 3.120 12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.813 2.561 14.216 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.082 0.685 11.897 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.067 1.648 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.428 2.794 10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.111 2.990 12.026 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.846 -0.011 12.669 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.883 1.264 13.910 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.048 -0.079 13.980 1.00 0.00 H new ATOM 754 N VAL A 53 -5.874 -0.719 12.986 1.00 0.00 N ATOM 755 CA VAL A 53 -5.707 -2.167 12.990 1.00 0.00 C ATOM 756 C VAL A 53 -4.675 -2.604 11.957 1.00 0.00 C ATOM 757 O VAL A 53 -4.136 -3.708 12.031 1.00 0.00 O ATOM 758 CB VAL A 53 -7.039 -2.886 12.704 1.00 0.00 C ATOM 759 CG1 VAL A 53 -8.077 -2.527 13.757 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.541 -2.544 11.310 1.00 0.00 C ATOM 0 H VAL A 53 -6.362 -0.353 12.168 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.360 -2.443 13.986 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.868 -3.962 12.749 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.011 -3.044 13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.717 -2.829 14.741 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.248 -1.450 13.748 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.483 -3.061 11.125 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.696 -1.468 11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.804 -2.858 10.571 1.00 0.00 H new ATOM 770 N GLY A 54 -4.403 -1.730 10.993 1.00 0.00 N ATOM 771 CA GLY A 54 -3.435 -2.043 9.958 1.00 0.00 C ATOM 772 C GLY A 54 -3.360 -0.971 8.890 1.00 0.00 C ATOM 773 O GLY A 54 -3.981 0.085 9.016 1.00 0.00 O ATOM 0 H GLY A 54 -4.836 -0.810 10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.452 -2.169 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.697 -2.994 9.495 1.00 0.00 H new ATOM 777 N TYR A 55 -2.598 -1.240 7.836 1.00 0.00 N ATOM 778 CA TYR A 55 -2.441 -0.288 6.743 1.00 0.00 C ATOM 779 C TYR A 55 -2.845 -0.915 5.412 1.00 0.00 C ATOM 780 O TYR A 55 -3.095 -2.118 5.330 1.00 0.00 O ATOM 781 CB TYR A 55 -0.994 0.203 6.669 1.00 0.00 C ATOM 782 CG TYR A 55 -0.574 1.029 7.864 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.079 0.424 9.013 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.672 2.415 7.844 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.305 1.175 10.107 1.00 0.00 C ATOM 786 CE2 TYR A 55 -0.289 3.174 8.932 1.00 0.00 C ATOM 787 CZ TYR A 55 0.199 2.549 10.061 1.00 0.00 C ATOM 788 OH TYR A 55 0.581 3.302 11.148 1.00 0.00 O ATOM 0 H TYR A 55 -2.079 -2.110 7.715 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.096 0.561 6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.331 -0.658 6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.866 0.797 5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.007 -0.652 9.051 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.054 2.907 6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.686 0.689 10.993 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.371 4.250 8.899 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.009 3.106 11.905 1.00 0.00 H new ATOM 798 N ARG A 56 -2.907 -0.091 4.371 1.00 0.00 N ATOM 799 CA ARG A 56 -3.281 -0.563 3.044 1.00 0.00 C ATOM 800 C ARG A 56 -2.274 -0.096 1.997 1.00 0.00 C ATOM 801 O ARG A 56 -2.258 1.075 1.615 1.00 0.00 O ATOM 802 CB ARG A 56 -4.681 -0.065 2.678 1.00 0.00 C ATOM 803 CG ARG A 56 -5.795 -0.995 3.129 1.00 0.00 C ATOM 804 CD ARG A 56 -6.104 -2.048 2.075 1.00 0.00 C ATOM 805 NE ARG A 56 -7.152 -2.967 2.510 1.00 0.00 N ATOM 806 CZ ARG A 56 -8.449 -2.699 2.418 1.00 0.00 C ATOM 807 NH1 ARG A 56 -8.857 -1.545 1.908 1.00 0.00 N ATOM 808 NH2 ARG A 56 -9.343 -3.587 2.835 1.00 0.00 N ATOM 0 H ARG A 56 -2.703 0.907 4.421 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.283 -1.653 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.836 0.917 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.741 0.063 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.508 -1.484 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.693 -0.414 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.413 -1.557 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.199 -2.611 1.849 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.872 -3.864 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.174 -0.860 1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.854 -1.342 1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.034 -4.477 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.339 -3.380 2.764 1.00 0.00 H new ATOM 822 N ILE A 57 -1.435 -1.018 1.537 1.00 0.00 N ATOM 823 CA ILE A 57 -0.426 -0.701 0.535 1.00 0.00 C ATOM 824 C ILE A 57 -0.907 -1.068 -0.865 1.00 0.00 C ATOM 825 O ILE A 57 -1.258 -2.217 -1.130 1.00 0.00 O ATOM 826 CB ILE A 57 0.899 -1.433 0.819 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.317 -1.230 2.276 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.988 -0.942 -0.124 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.478 -2.102 2.699 1.00 0.00 C ATOM 0 H ILE A 57 -1.434 -1.991 1.843 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.256 0.374 0.588 1.00 0.00 H new ATOM 0 HB ILE A 57 0.752 -2.499 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.585 -0.184 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.464 -1.436 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.918 -1.469 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.690 -1.134 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.136 0.129 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.720 -1.905 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.207 -3.151 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.345 -1.880 2.078 1.00 0.00 H new ATOM 841 N SER A 58 -0.919 -0.083 -1.758 1.00 0.00 N ATOM 842 CA SER A 58 -1.359 -0.301 -3.131 1.00 0.00 C ATOM 843 C SER A 58 -0.180 -0.233 -4.096 1.00 0.00 C ATOM 844 O SER A 58 0.351 0.843 -4.371 1.00 0.00 O ATOM 845 CB SER A 58 -2.414 0.736 -3.522 1.00 0.00 C ATOM 846 OG SER A 58 -2.612 0.757 -4.925 1.00 0.00 O ATOM 0 H SER A 58 -0.629 0.874 -1.555 1.00 0.00 H new ATOM 0 HA SER A 58 -1.799 -1.296 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.355 0.508 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.102 1.723 -3.181 1.00 0.00 H new ATOM 0 HG SER A 58 -3.292 1.426 -5.149 1.00 0.00 H new ATOM 852 N HIS A 59 0.225 -1.391 -4.608 1.00 0.00 N ATOM 853 CA HIS A 59 1.342 -1.464 -5.544 1.00 0.00 C ATOM 854 C HIS A 59 0.871 -1.939 -6.915 1.00 0.00 C ATOM 855 O HIS A 59 0.509 -3.103 -7.090 1.00 0.00 O ATOM 856 CB HIS A 59 2.422 -2.405 -5.009 1.00 0.00 C ATOM 857 CG HIS A 59 1.942 -3.806 -4.790 1.00 0.00 C ATOM 858 ND1 HIS A 59 0.995 -4.297 -3.957 1.00 0.00 N flip ATOM 859 CD2 HIS A 59 2.450 -4.891 -5.472 1.00 0.00 C flip ATOM 860 CE1 HIS A 59 0.947 -5.656 -4.150 1.00 0.00 C flip ATOM 861 NE2 HIS A 59 1.835 -5.989 -5.070 1.00 0.00 N flip ATOM 0 H HIS A 59 -0.203 -2.291 -4.391 1.00 0.00 H new ATOM 0 HA HIS A 59 1.762 -0.464 -5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.257 -2.421 -5.709 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.803 -2.009 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.229 -4.850 -6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.290 -6.341 -3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.015 -6.933 -5.412 1.00 0.00 H new ATOM 870 N VAL A 60 0.878 -1.031 -7.885 1.00 0.00 N ATOM 871 CA VAL A 60 0.452 -1.357 -9.241 1.00 0.00 C ATOM 872 C VAL A 60 1.627 -1.317 -10.211 1.00 0.00 C ATOM 873 O VAL A 60 2.659 -0.708 -9.927 1.00 0.00 O ATOM 874 CB VAL A 60 -0.640 -0.388 -9.735 1.00 0.00 C ATOM 875 CG1 VAL A 60 -1.176 -0.832 -11.087 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.763 -0.287 -8.714 1.00 0.00 C ATOM 0 H VAL A 60 1.174 -0.063 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 60 0.044 -2.367 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.197 0.601 -9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.946 -0.136 -11.420 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.363 -0.848 -11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.604 -1.831 -10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.526 0.401 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.206 -1.271 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.364 0.082 -7.769 1.00 0.00 H new ATOM 886 N TRP A 61 1.464 -1.968 -11.357 1.00 0.00 N ATOM 887 CA TRP A 61 2.512 -2.007 -12.370 1.00 0.00 C ATOM 888 C TRP A 61 1.944 -1.710 -13.753 1.00 0.00 C ATOM 889 O TRP A 61 1.091 -2.444 -14.253 1.00 0.00 O ATOM 890 CB TRP A 61 3.200 -3.373 -12.370 1.00 0.00 C ATOM 891 CG TRP A 61 3.659 -3.807 -11.011 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.871 -4.184 -9.961 1.00 0.00 C ATOM 893 CD2 TRP A 61 5.013 -3.907 -10.555 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.654 -4.512 -8.880 1.00 0.00 N ATOM 895 CE2 TRP A 61 4.971 -4.351 -9.219 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.256 -3.666 -11.147 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.125 -4.557 -8.467 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.400 -3.871 -10.399 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.328 -4.314 -9.071 1.00 0.00 C ATOM 0 H TRP A 61 0.616 -2.476 -11.608 1.00 0.00 H new ATOM 0 HA TRP A 61 3.246 -1.239 -12.127 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.512 -4.118 -12.768 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.058 -3.340 -13.042 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.792 -4.219 -9.978 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.310 -4.825 -7.972 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.321 -3.326 -12.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.072 -4.897 -7.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.366 -3.687 -10.845 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.240 -4.466 -8.514 1.00 0.00 H new ATOM 910 N GLN A 62 2.421 -0.632 -14.366 1.00 0.00 N ATOM 911 CA GLN A 62 1.958 -0.239 -15.692 1.00 0.00 C ATOM 912 C GLN A 62 3.125 -0.145 -16.669 1.00 0.00 C ATOM 913 O GLN A 62 3.942 0.772 -16.590 1.00 0.00 O ATOM 914 CB GLN A 62 1.226 1.102 -15.623 1.00 0.00 C ATOM 915 CG GLN A 62 -0.268 0.968 -15.375 1.00 0.00 C ATOM 916 CD GLN A 62 -1.054 2.157 -15.889 1.00 0.00 C ATOM 917 OE1 GLN A 62 -1.080 2.426 -17.090 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.702 2.877 -14.980 1.00 0.00 N ATOM 0 H GLN A 62 3.128 -0.015 -13.966 1.00 0.00 H new ATOM 0 HA GLN A 62 1.268 -1.003 -16.050 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.665 1.706 -14.829 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.384 1.641 -16.557 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.632 0.061 -15.857 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.446 0.854 -14.306 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.653 2.618 -13.995 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.249 3.689 -15.267 1.00 0.00 H new ATOM 927 N SER A 63 3.197 -1.101 -17.591 1.00 0.00 N ATOM 928 CA SER A 63 4.266 -1.128 -18.582 1.00 0.00 C ATOM 929 C SER A 63 3.709 -0.928 -19.988 1.00 0.00 C ATOM 930 O SER A 63 2.518 -1.124 -20.229 1.00 0.00 O ATOM 931 CB SER A 63 5.026 -2.454 -18.506 1.00 0.00 C ATOM 932 OG SER A 63 5.574 -2.800 -19.766 1.00 0.00 O ATOM 0 H SER A 63 2.528 -1.866 -17.672 1.00 0.00 H new ATOM 0 HA SER A 63 4.952 -0.310 -18.363 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.824 -2.378 -17.767 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.354 -3.243 -18.169 1.00 0.00 H new ATOM 0 HG SER A 63 6.056 -3.650 -19.691 1.00 0.00 H new ATOM 938 N ALA A 64 4.579 -0.536 -20.912 1.00 0.00 N ATOM 939 CA ALA A 64 4.176 -0.311 -22.295 1.00 0.00 C ATOM 940 C ALA A 64 3.715 -1.608 -22.951 1.00 0.00 C ATOM 941 O ALA A 64 4.532 -2.434 -23.357 1.00 0.00 O ATOM 942 CB ALA A 64 5.321 0.304 -23.085 1.00 0.00 C ATOM 0 H ALA A 64 5.568 -0.367 -20.728 1.00 0.00 H new ATOM 0 HA ALA A 64 3.336 0.383 -22.294 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.006 0.466 -24.116 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.602 1.257 -22.637 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.177 -0.370 -23.069 1.00 0.00 H new ATOM 948 N GLY A 65 2.401 -1.782 -23.050 1.00 0.00 N ATOM 949 CA GLY A 65 1.855 -2.982 -23.657 1.00 0.00 C ATOM 950 C GLY A 65 1.333 -3.966 -22.628 1.00 0.00 C ATOM 951 O GLY A 65 0.511 -4.826 -22.944 1.00 0.00 O ATOM 0 H GLY A 65 1.705 -1.113 -22.721 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.047 -2.707 -24.335 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.626 -3.464 -24.258 1.00 0.00 H new ATOM 955 N ILE A 66 1.813 -3.840 -21.395 1.00 0.00 N ATOM 956 CA ILE A 66 1.390 -4.726 -20.318 1.00 0.00 C ATOM 957 C ILE A 66 0.987 -3.932 -19.080 1.00 0.00 C ATOM 958 O ILE A 66 1.766 -3.131 -18.563 1.00 0.00 O ATOM 959 CB ILE A 66 2.503 -5.720 -19.937 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.679 -6.768 -21.037 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.184 -6.387 -18.607 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.415 -7.541 -21.343 1.00 0.00 C ATOM 0 H ILE A 66 2.494 -3.134 -21.118 1.00 0.00 H new ATOM 0 HA ILE A 66 0.528 -5.282 -20.687 1.00 0.00 H new ATOM 0 HB ILE A 66 3.439 -5.172 -19.831 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.023 -6.275 -21.946 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.460 -7.468 -20.739 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.979 -7.087 -18.351 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.104 -5.628 -17.829 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.239 -6.925 -18.687 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.614 -8.266 -22.132 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.082 -8.063 -20.446 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.637 -6.851 -21.672 1.00 0.00 H new ATOM 974 N SER A 67 -0.235 -4.161 -18.608 1.00 0.00 N ATOM 975 CA SER A 67 -0.743 -3.466 -17.432 1.00 0.00 C ATOM 976 C SER A 67 -1.314 -4.456 -16.421 1.00 0.00 C ATOM 977 O SER A 67 -2.306 -5.133 -16.689 1.00 0.00 O ATOM 978 CB SER A 67 -1.817 -2.454 -17.835 1.00 0.00 C ATOM 979 OG SER A 67 -3.048 -3.100 -18.111 1.00 0.00 O ATOM 0 H SER A 67 -0.891 -4.823 -19.023 1.00 0.00 H new ATOM 0 HA SER A 67 0.088 -2.936 -16.966 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.955 -1.727 -17.034 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.488 -1.900 -18.714 1.00 0.00 H new ATOM 0 HG SER A 67 -2.963 -4.059 -17.925 1.00 0.00 H new ATOM 985 N LYS A 68 -0.680 -4.534 -15.255 1.00 0.00 N ATOM 986 CA LYS A 68 -1.124 -5.438 -14.202 1.00 0.00 C ATOM 987 C LYS A 68 -1.501 -4.664 -12.943 1.00 0.00 C ATOM 988 O LYS A 68 -1.106 -3.511 -12.771 1.00 0.00 O ATOM 989 CB LYS A 68 -0.026 -6.455 -13.878 1.00 0.00 C ATOM 990 CG LYS A 68 0.176 -7.497 -14.964 1.00 0.00 C ATOM 991 CD LYS A 68 1.046 -8.645 -14.479 1.00 0.00 C ATOM 992 CE LYS A 68 0.734 -9.934 -15.225 1.00 0.00 C ATOM 993 NZ LYS A 68 1.909 -10.848 -15.268 1.00 0.00 N ATOM 0 H LYS A 68 0.143 -3.981 -15.016 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.007 -5.967 -14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.912 -5.925 -13.716 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.273 -6.959 -12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.792 -7.883 -15.284 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.638 -7.032 -15.835 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.097 -8.390 -14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.890 -8.795 -13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.102 -10.440 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.420 -9.698 -16.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.656 -11.715 -15.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.699 -10.375 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.193 -11.094 -14.298 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.267 -5.306 -12.066 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.696 -4.676 -10.823 1.00 0.00 C ATOM 1009 C GLU A 69 -2.520 -5.627 -9.642 1.00 0.00 C ATOM 1010 O GLU A 69 -2.899 -6.797 -9.711 1.00 0.00 O ATOM 1011 CB GLU A 69 -4.158 -4.238 -10.925 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.505 -3.060 -10.030 1.00 0.00 C ATOM 1013 CD GLU A 69 -4.288 -1.724 -10.714 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -3.606 -1.696 -11.759 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -4.801 -0.707 -10.202 1.00 0.00 O ATOM 0 H GLU A 69 -2.603 -6.261 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.072 -3.798 -10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.378 -3.975 -11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.800 -5.081 -10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.547 -3.140 -9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.898 -3.104 -9.126 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.943 -5.116 -8.560 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.716 -5.919 -7.363 1.00 0.00 C ATOM 1024 C LEU A 70 -2.057 -5.128 -6.104 1.00 0.00 C ATOM 1025 O LEU A 70 -2.091 -3.897 -6.122 1.00 0.00 O ATOM 1026 CB LEU A 70 -0.260 -6.385 -7.307 1.00 0.00 C ATOM 1027 CG LEU A 70 0.217 -7.241 -8.481 1.00 0.00 C ATOM 1028 CD1 LEU A 70 1.711 -7.504 -8.378 1.00 0.00 C ATOM 1029 CD2 LEU A 70 -0.555 -8.551 -8.534 1.00 0.00 C ATOM 0 H LEU A 70 -1.624 -4.150 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.369 -6.790 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.380 -5.505 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.116 -6.953 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 70 0.029 -6.694 -9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.032 -8.115 -9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.249 -6.556 -8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.925 -8.030 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.202 -9.147 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.399 -9.103 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.618 -8.342 -8.657 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.308 -5.843 -5.013 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.645 -5.208 -3.743 1.00 0.00 C ATOM 1043 C LEU A 71 -2.044 -5.979 -2.573 1.00 0.00 C ATOM 1044 O LEU A 71 -2.267 -7.181 -2.429 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.163 -5.117 -3.583 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.672 -4.070 -2.592 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.016 -4.257 -1.233 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.416 -2.666 -3.122 1.00 0.00 C ATOM 0 H LEU A 71 -2.285 -6.862 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.225 -4.202 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.599 -4.906 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.535 -6.093 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.747 -4.202 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.391 -3.503 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.251 -5.250 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.936 -4.153 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.785 -1.933 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.346 -2.522 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.934 -2.536 -4.072 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.283 -5.279 -1.738 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.651 -5.898 -0.579 1.00 0.00 C ATOM 1062 C GLU A 72 -1.460 -5.635 0.688 1.00 0.00 C ATOM 1063 O GLU A 72 -2.231 -4.678 0.756 1.00 0.00 O ATOM 1064 CB GLU A 72 0.775 -5.372 -0.405 1.00 0.00 C ATOM 1065 CG GLU A 72 1.705 -6.350 0.293 1.00 0.00 C ATOM 1066 CD GLU A 72 2.979 -5.694 0.786 1.00 0.00 C ATOM 1067 OE1 GLU A 72 3.255 -4.548 0.374 1.00 0.00 O ATOM 1068 OE2 GLU A 72 3.701 -6.327 1.585 1.00 0.00 O ATOM 0 H GLU A 72 -1.089 -4.283 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.615 -6.974 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.186 -5.130 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.743 -4.444 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.184 -6.802 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.959 -7.157 -0.394 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.278 -6.491 1.688 1.00 0.00 N ATOM 1076 CA GLU A 73 -1.993 -6.351 2.952 1.00 0.00 C ATOM 1077 C GLU A 73 -1.027 -6.409 4.132 1.00 0.00 C ATOM 1078 O GLU A 73 -0.279 -7.374 4.291 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.050 -7.449 3.090 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.040 -7.488 1.938 1.00 0.00 C ATOM 1081 CD GLU A 73 -4.890 -8.745 1.942 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.810 -8.835 2.781 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -4.634 -9.637 1.107 1.00 0.00 O ATOM 0 H GLU A 73 -0.643 -7.288 1.648 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.487 -5.379 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.551 -8.415 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.595 -7.302 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.690 -6.614 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.497 -7.424 0.995 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.049 -5.367 4.958 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.176 -5.298 6.124 1.00 0.00 C ATOM 1092 C VAL A 74 -0.972 -4.993 7.388 1.00 0.00 C ATOM 1093 O VAL A 74 -1.843 -4.124 7.392 1.00 0.00 O ATOM 1094 CB VAL A 74 0.915 -4.226 5.946 1.00 0.00 C ATOM 1095 CG1 VAL A 74 2.143 -4.821 5.275 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.378 -3.048 5.147 1.00 0.00 C ATOM 0 H VAL A 74 -1.662 -4.560 4.841 1.00 0.00 H new ATOM 0 HA VAL A 74 0.298 -6.274 6.223 1.00 0.00 H new ATOM 0 HB VAL A 74 1.209 -3.863 6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.903 -4.049 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.538 -5.629 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.869 -5.212 4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.162 -2.300 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.056 -3.392 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.469 -2.607 5.673 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.666 -5.714 8.463 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.361 -5.505 9.719 1.00 0.00 C ATOM 1108 C GLY A 75 -0.770 -4.366 10.527 1.00 0.00 C ATOM 1109 O GLY A 75 0.159 -3.695 10.077 1.00 0.00 O ATOM 0 H GLY A 75 0.051 -6.439 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.412 -5.297 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.324 -6.421 10.308 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.310 -4.147 11.721 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.831 -3.080 12.591 1.00 0.00 C ATOM 1115 C GLN A 76 0.625 -3.310 12.984 1.00 0.00 C ATOM 1116 O GLN A 76 1.407 -2.366 13.087 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.701 -2.986 13.846 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.544 -4.171 14.785 1.00 0.00 C ATOM 1119 CD GLN A 76 -2.682 -4.281 15.781 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -3.139 -3.280 16.331 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -3.145 -5.503 16.018 1.00 0.00 N ATOM 0 H GLN A 76 -2.079 -4.694 12.108 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.896 -2.141 12.041 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.451 -2.071 14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.746 -2.905 13.548 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.489 -5.089 14.200 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.601 -4.080 15.325 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.736 -6.305 15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.910 -5.639 16.679 1.00 0.00 H new ATOM 1130 N ASN A 77 0.981 -4.571 13.203 1.00 0.00 N ATOM 1131 CA ASN A 77 2.343 -4.925 13.585 1.00 0.00 C ATOM 1132 C ASN A 77 3.306 -4.724 12.419 1.00 0.00 C ATOM 1133 O ASN A 77 4.351 -4.092 12.565 1.00 0.00 O ATOM 1134 CB ASN A 77 2.400 -6.378 14.063 1.00 0.00 C ATOM 1135 CG ASN A 77 1.654 -7.320 13.138 1.00 0.00 C ATOM 1136 OD1 ASN A 77 0.437 -7.220 12.981 1.00 0.00 O ATOM 1137 ND2 ASN A 77 2.384 -8.242 12.520 1.00 0.00 N ATOM 0 H ASN A 77 0.346 -5.365 13.123 1.00 0.00 H new ATOM 0 HA ASN A 77 2.646 -4.269 14.401 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.441 -6.693 14.136 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.976 -6.445 15.065 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.938 -8.904 11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.390 -8.288 12.680 1.00 0.00 H new ATOM 1144 N GLY A 78 2.944 -5.266 11.260 1.00 0.00 N ATOM 1145 CA GLY A 78 3.786 -5.135 10.085 1.00 0.00 C ATOM 1146 C GLY A 78 4.194 -3.699 9.821 1.00 0.00 C ATOM 1147 O GLY A 78 3.457 -2.943 9.189 1.00 0.00 O ATOM 0 H GLY A 78 2.083 -5.793 11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.680 -5.746 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.255 -5.524 9.216 1.00 0.00 H new ATOM 1151 N SER A 79 5.371 -3.321 10.309 1.00 0.00 N ATOM 1152 CA SER A 79 5.874 -1.964 10.128 1.00 0.00 C ATOM 1153 C SER A 79 6.551 -1.813 8.769 1.00 0.00 C ATOM 1154 O SER A 79 6.419 -0.782 8.109 1.00 0.00 O ATOM 1155 CB SER A 79 6.859 -1.609 11.243 1.00 0.00 C ATOM 1156 OG SER A 79 7.478 -0.359 10.998 1.00 0.00 O ATOM 0 H SER A 79 5.994 -3.935 10.833 1.00 0.00 H new ATOM 0 HA SER A 79 5.026 -1.280 10.171 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.336 -1.578 12.199 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.620 -2.386 11.321 1.00 0.00 H new ATOM 0 HG SER A 79 8.102 -0.155 11.726 1.00 0.00 H new ATOM 1162 N ARG A 80 7.276 -2.848 8.357 1.00 0.00 N ATOM 1163 CA ARG A 80 7.975 -2.831 7.078 1.00 0.00 C ATOM 1164 C ARG A 80 7.273 -3.727 6.063 1.00 0.00 C ATOM 1165 O ARG A 80 6.850 -4.836 6.388 1.00 0.00 O ATOM 1166 CB ARG A 80 9.425 -3.285 7.259 1.00 0.00 C ATOM 1167 CG ARG A 80 10.186 -3.429 5.951 1.00 0.00 C ATOM 1168 CD ARG A 80 10.071 -4.838 5.393 1.00 0.00 C ATOM 1169 NE ARG A 80 10.809 -5.808 6.197 1.00 0.00 N ATOM 1170 CZ ARG A 80 10.850 -7.108 5.928 1.00 0.00 C ATOM 1171 NH1 ARG A 80 10.197 -7.592 4.880 1.00 0.00 N ATOM 1172 NH2 ARG A 80 11.544 -7.927 6.707 1.00 0.00 N ATOM 0 H ARG A 80 7.394 -3.709 8.891 1.00 0.00 H new ATOM 0 HA ARG A 80 7.966 -1.808 6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.945 -2.568 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.435 -4.241 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.799 -2.715 5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 80 11.236 -3.184 6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.021 -5.126 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.447 -4.854 4.370 1.00 0.00 H new ATOM 0 HE ARG A 80 11.322 -5.468 7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.662 -6.966 4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.230 -8.591 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.047 -7.559 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.574 -8.925 6.499 1.00 0.00 H new ATOM 1186 N ALA A 81 7.154 -3.239 4.833 1.00 0.00 N ATOM 1187 CA ALA A 81 6.505 -3.996 3.770 1.00 0.00 C ATOM 1188 C ALA A 81 7.459 -4.235 2.604 1.00 0.00 C ATOM 1189 O ALA A 81 8.213 -3.343 2.214 1.00 0.00 O ATOM 1190 CB ALA A 81 5.256 -3.271 3.291 1.00 0.00 C ATOM 0 H ALA A 81 7.499 -2.322 4.548 1.00 0.00 H new ATOM 0 HA ALA A 81 6.216 -4.966 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.782 -3.848 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.560 -3.157 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.530 -2.287 2.910 1.00 0.00 H new ATOM 1196 N ARG A 82 7.422 -5.444 2.053 1.00 0.00 N ATOM 1197 CA ARG A 82 8.285 -5.800 0.933 1.00 0.00 C ATOM 1198 C ARG A 82 7.495 -6.525 -0.152 1.00 0.00 C ATOM 1199 O ARG A 82 6.533 -7.236 0.137 1.00 0.00 O ATOM 1200 CB ARG A 82 9.441 -6.680 1.413 1.00 0.00 C ATOM 1201 CG ARG A 82 10.534 -6.867 0.374 1.00 0.00 C ATOM 1202 CD ARG A 82 11.694 -7.682 0.927 1.00 0.00 C ATOM 1203 NE ARG A 82 11.490 -9.117 0.747 1.00 0.00 N ATOM 1204 CZ ARG A 82 12.421 -10.029 1.001 1.00 0.00 C ATOM 1205 NH1 ARG A 82 13.614 -9.658 1.445 1.00 0.00 N ATOM 1206 NH2 ARG A 82 12.160 -11.316 0.813 1.00 0.00 N ATOM 0 H ARG A 82 6.804 -6.193 2.364 1.00 0.00 H new ATOM 0 HA ARG A 82 8.689 -4.880 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.875 -6.238 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.050 -7.657 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.122 -7.366 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.896 -5.893 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.617 -7.382 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.817 -7.464 1.988 1.00 0.00 H new ATOM 0 HE ARG A 82 10.583 -9.436 0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.819 -8.670 1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.327 -10.361 1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.243 -11.606 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.876 -12.015 1.009 1.00 0.00 H new ATOM 1220 N ILE A 83 7.909 -6.339 -1.401 1.00 0.00 N ATOM 1221 CA ILE A 83 7.241 -6.976 -2.530 1.00 0.00 C ATOM 1222 C ILE A 83 8.252 -7.474 -3.557 1.00 0.00 C ATOM 1223 O ILE A 83 9.275 -6.833 -3.798 1.00 0.00 O ATOM 1224 CB ILE A 83 6.257 -6.012 -3.219 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.683 -5.023 -2.203 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.141 -6.791 -3.898 1.00 0.00 C ATOM 1227 CD1 ILE A 83 4.708 -4.035 -2.805 1.00 0.00 C ATOM 0 H ILE A 83 8.703 -5.753 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 83 6.685 -7.824 -2.130 1.00 0.00 H new ATOM 0 HB ILE A 83 6.796 -5.449 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.182 -5.579 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.503 -4.475 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.454 -6.096 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.567 -7.459 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.602 -7.377 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.342 -3.365 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.210 -3.453 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.869 -4.574 -3.245 1.00 0.00 H new ATOM 1239 N SER A 84 7.957 -8.620 -4.163 1.00 0.00 N ATOM 1240 CA SER A 84 8.841 -9.205 -5.164 1.00 0.00 C ATOM 1241 C SER A 84 8.511 -8.675 -6.556 1.00 0.00 C ATOM 1242 O SER A 84 7.442 -8.950 -7.101 1.00 0.00 O ATOM 1243 CB SER A 84 8.726 -10.731 -5.147 1.00 0.00 C ATOM 1244 OG SER A 84 9.147 -11.260 -3.902 1.00 0.00 O ATOM 0 H SER A 84 7.113 -9.161 -3.978 1.00 0.00 H new ATOM 0 HA SER A 84 9.865 -8.922 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.694 -11.023 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.332 -11.153 -5.949 1.00 0.00 H new ATOM 0 HG SER A 84 9.062 -12.236 -3.916 1.00 0.00 H new ATOM 1250 N VAL A 85 9.438 -7.911 -7.126 1.00 0.00 N ATOM 1251 CA VAL A 85 9.248 -7.341 -8.455 1.00 0.00 C ATOM 1252 C VAL A 85 8.586 -8.345 -9.393 1.00 0.00 C ATOM 1253 O VAL A 85 9.140 -9.409 -9.669 1.00 0.00 O ATOM 1254 CB VAL A 85 10.586 -6.888 -9.067 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.400 -6.493 -10.524 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.176 -5.737 -8.266 1.00 0.00 C ATOM 0 H VAL A 85 10.328 -7.673 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 85 8.598 -6.474 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 85 11.285 -7.724 -9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.356 -6.176 -10.940 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.025 -7.347 -11.088 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.685 -5.673 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.122 -5.430 -8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.482 -4.897 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.348 -6.059 -7.239 1.00 0.00 H new ATOM 1266 N GLN A 86 7.400 -7.997 -9.881 1.00 0.00 N ATOM 1267 CA GLN A 86 6.663 -8.868 -10.788 1.00 0.00 C ATOM 1268 C GLN A 86 6.906 -8.471 -12.241 1.00 0.00 C ATOM 1269 O GLN A 86 6.832 -9.305 -13.144 1.00 0.00 O ATOM 1270 CB GLN A 86 5.166 -8.814 -10.477 1.00 0.00 C ATOM 1271 CG GLN A 86 4.826 -9.221 -9.052 1.00 0.00 C ATOM 1272 CD GLN A 86 4.745 -10.725 -8.878 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.639 -11.470 -9.853 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.794 -11.181 -7.632 1.00 0.00 N ATOM 0 H GLN A 86 6.929 -7.119 -9.664 1.00 0.00 H new ATOM 0 HA GLN A 86 7.021 -9.887 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.803 -7.801 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.636 -9.468 -11.169 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.580 -8.821 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.873 -8.774 -8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.882 -10.528 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.743 -12.184 -7.454 1.00 0.00 H new ATOM 1283 N VAL A 87 7.198 -7.193 -12.459 1.00 0.00 N ATOM 1284 CA VAL A 87 7.453 -6.685 -13.802 1.00 0.00 C ATOM 1285 C VAL A 87 8.683 -5.785 -13.825 1.00 0.00 C ATOM 1286 O VAL A 87 8.917 -5.011 -12.896 1.00 0.00 O ATOM 1287 CB VAL A 87 6.245 -5.899 -14.344 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.659 -5.026 -15.519 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.126 -6.849 -14.744 1.00 0.00 C ATOM 0 H VAL A 87 7.264 -6.490 -11.723 1.00 0.00 H new ATOM 0 HA VAL A 87 7.629 -7.551 -14.440 1.00 0.00 H new ATOM 0 HB VAL A 87 5.873 -5.249 -13.552 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.792 -4.478 -15.889 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.424 -4.320 -15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.058 -5.654 -16.316 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.281 -6.276 -15.125 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.484 -7.526 -15.519 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.811 -7.426 -13.875 1.00 0.00 H new ATOM 1299 N HIS A 88 9.468 -5.892 -14.892 1.00 0.00 N ATOM 1300 CA HIS A 88 10.675 -5.086 -15.037 1.00 0.00 C ATOM 1301 C HIS A 88 10.526 -4.084 -16.178 1.00 0.00 C ATOM 1302 O HIS A 88 9.853 -4.355 -17.171 1.00 0.00 O ATOM 1303 CB HIS A 88 11.886 -5.985 -15.288 1.00 0.00 C ATOM 1304 CG HIS A 88 12.447 -6.597 -14.042 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.246 -7.916 -13.695 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.207 -6.062 -13.057 1.00 0.00 C ATOM 1307 CE1 HIS A 88 12.857 -8.167 -12.550 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.448 -7.058 -12.143 1.00 0.00 N ATOM 0 H HIS A 88 9.290 -6.529 -15.669 1.00 0.00 H new ATOM 0 HA HIS A 88 10.827 -4.534 -14.110 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.601 -6.780 -15.977 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.665 -5.402 -15.779 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.558 -5.042 -13.001 1.00 0.00 H new ATOM 0 HE1 HIS A 88 12.871 -9.116 -12.035 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.995 -6.958 -11.288 1.00 0.00 H new ATOM 1317 N ASN A 89 11.157 -2.924 -16.026 1.00 0.00 N ATOM 1318 CA ASN A 89 11.093 -1.880 -17.043 1.00 0.00 C ATOM 1319 C ASN A 89 9.696 -1.269 -17.108 1.00 0.00 C ATOM 1320 O ASN A 89 9.189 -0.968 -18.188 1.00 0.00 O ATOM 1321 CB ASN A 89 11.477 -2.447 -18.410 1.00 0.00 C ATOM 1322 CG ASN A 89 11.764 -1.360 -19.428 1.00 0.00 C ATOM 1323 OD1 ASN A 89 10.870 -0.922 -20.153 1.00 0.00 O ATOM 1324 ND2 ASN A 89 13.015 -0.919 -19.486 1.00 0.00 N ATOM 0 H ASN A 89 11.718 -2.683 -15.209 1.00 0.00 H new ATOM 0 HA ASN A 89 11.801 -1.097 -16.770 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.357 -3.082 -18.303 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.670 -3.081 -18.777 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.268 -0.188 -20.151 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.723 -1.311 -18.866 1.00 0.00 H new ATOM 1331 N ALA A 90 9.081 -1.088 -15.944 1.00 0.00 N ATOM 1332 CA ALA A 90 7.745 -0.511 -15.868 1.00 0.00 C ATOM 1333 C ALA A 90 7.655 0.521 -14.749 1.00 0.00 C ATOM 1334 O ALA A 90 8.590 0.684 -13.963 1.00 0.00 O ATOM 1335 CB ALA A 90 6.708 -1.605 -15.663 1.00 0.00 C ATOM 0 H ALA A 90 9.487 -1.333 -15.041 1.00 0.00 H new ATOM 0 HA ALA A 90 7.542 -0.004 -16.811 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.715 -1.159 -15.608 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.746 -2.304 -16.499 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.919 -2.137 -14.735 1.00 0.00 H new ATOM 1341 N THR A 91 6.525 1.218 -14.681 1.00 0.00 N ATOM 1342 CA THR A 91 6.315 2.236 -13.659 1.00 0.00 C ATOM 1343 C THR A 91 5.352 1.745 -12.584 1.00 0.00 C ATOM 1344 O THR A 91 4.215 1.374 -12.878 1.00 0.00 O ATOM 1345 CB THR A 91 5.764 3.539 -14.269 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.944 3.240 -15.404 1.00 0.00 O ATOM 1347 CG2 THR A 91 6.898 4.463 -14.686 1.00 0.00 C ATOM 0 H THR A 91 5.741 1.096 -15.322 1.00 0.00 H new ATOM 0 HA THR A 91 7.287 2.437 -13.208 1.00 0.00 H new ATOM 0 HB THR A 91 5.165 4.044 -13.511 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.366 2.476 -15.198 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.485 5.376 -15.114 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.503 4.712 -13.815 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.520 3.963 -15.429 1.00 0.00 H new ATOM 1355 N CYS A 92 5.813 1.746 -11.339 1.00 0.00 N ATOM 1356 CA CYS A 92 4.992 1.300 -10.219 1.00 0.00 C ATOM 1357 C CYS A 92 4.685 2.457 -9.274 1.00 0.00 C ATOM 1358 O CYS A 92 5.540 3.306 -9.016 1.00 0.00 O ATOM 1359 CB CYS A 92 5.698 0.177 -9.457 1.00 0.00 C ATOM 1360 SG CYS A 92 4.793 -0.415 -8.008 1.00 0.00 S ATOM 0 H CYS A 92 6.751 2.051 -11.079 1.00 0.00 H new ATOM 0 HA CYS A 92 4.051 0.922 -10.619 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.863 -0.660 -10.136 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.680 0.529 -9.140 1.00 0.00 H new ATOM 0 HG CYS A 92 3.558 -0.653 -8.335 1.00 0.00 H new ATOM 1366 N THR A 93 3.459 2.488 -8.762 1.00 0.00 N ATOM 1367 CA THR A 93 3.038 3.543 -7.849 1.00 0.00 C ATOM 1368 C THR A 93 2.705 2.978 -6.473 1.00 0.00 C ATOM 1369 O THR A 93 1.799 2.157 -6.330 1.00 0.00 O ATOM 1370 CB THR A 93 1.810 4.298 -8.392 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.955 4.524 -9.798 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.633 5.628 -7.675 1.00 0.00 C ATOM 0 H THR A 93 2.740 1.794 -8.964 1.00 0.00 H new ATOM 0 HA THR A 93 3.873 4.238 -7.761 1.00 0.00 H new ATOM 0 HB THR A 93 0.926 3.686 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.169 5.003 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.760 6.144 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.493 5.451 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.519 6.244 -7.827 1.00 0.00 H new ATOM 1380 N VAL A 94 3.444 3.424 -5.461 1.00 0.00 N ATOM 1381 CA VAL A 94 3.226 2.964 -4.095 1.00 0.00 C ATOM 1382 C VAL A 94 2.317 3.920 -3.332 1.00 0.00 C ATOM 1383 O VAL A 94 2.375 5.135 -3.524 1.00 0.00 O ATOM 1384 CB VAL A 94 4.557 2.820 -3.333 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.327 2.174 -1.975 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.556 2.018 -4.152 1.00 0.00 C ATOM 0 H VAL A 94 4.198 4.103 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 94 2.746 1.987 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 94 4.972 3.815 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.278 2.080 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.649 2.793 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.889 1.185 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.490 1.926 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.152 1.025 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.743 2.527 -5.098 1.00 0.00 H new ATOM 1396 N ARG A 95 1.477 3.364 -2.465 1.00 0.00 N ATOM 1397 CA ARG A 95 0.554 4.167 -1.672 1.00 0.00 C ATOM 1398 C ARG A 95 0.137 3.425 -0.406 1.00 0.00 C ATOM 1399 O ARG A 95 -0.357 2.299 -0.469 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.683 4.524 -2.498 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.367 5.303 -3.764 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.618 5.929 -4.361 1.00 0.00 C ATOM 1403 NE ARG A 95 -1.949 7.202 -3.727 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.051 7.892 -3.996 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -3.924 7.434 -4.883 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -3.282 9.043 -3.378 1.00 0.00 N ATOM 0 H ARG A 95 1.417 2.360 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 95 1.066 5.084 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.207 3.607 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.364 5.110 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.360 6.084 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.093 4.639 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.471 6.084 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.456 5.241 -4.251 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.298 7.582 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.750 6.550 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.770 7.966 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.613 9.399 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.129 9.572 -3.585 1.00 0.00 H new ATOM 1420 N ILE A 96 0.339 4.064 0.742 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.016 3.465 2.022 1.00 0.00 C ATOM 1422 C ILE A 96 -1.133 4.248 2.704 1.00 0.00 C ATOM 1423 O ILE A 96 -1.095 5.476 2.767 1.00 0.00 O ATOM 1424 CB ILE A 96 1.198 3.395 2.967 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.387 2.744 2.258 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.841 2.626 4.231 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.587 2.538 3.156 1.00 0.00 C ATOM 0 H ILE A 96 0.747 4.996 0.811 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.361 2.453 1.812 1.00 0.00 H new ATOM 0 HB ILE A 96 1.479 4.409 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.076 1.781 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.679 3.365 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.709 2.585 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.021 3.129 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.537 1.613 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.392 2.072 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.924 3.501 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.311 1.892 3.989 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.126 3.527 3.216 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.252 4.154 3.897 1.00 0.00 C ATOM 1441 C ALA A 97 -3.481 3.527 5.268 1.00 0.00 C ATOM 1442 O ALA A 97 -3.048 2.405 5.529 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.510 4.045 3.047 1.00 0.00 C ATOM 0 H ALA A 97 -2.173 2.509 3.172 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.016 5.208 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.343 4.517 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.348 4.545 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.741 2.994 2.872 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.165 4.260 6.141 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.453 3.775 7.485 1.00 0.00 C ATOM 1451 C ALA A 98 -5.794 3.051 7.532 1.00 0.00 C ATOM 1452 O ALA A 98 -6.838 3.638 7.247 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.439 4.929 8.477 1.00 0.00 C ATOM 0 H ALA A 98 -4.530 5.191 5.941 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.676 3.063 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.656 4.552 9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.457 5.401 8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.195 5.662 8.194 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.759 1.772 7.892 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.972 0.967 7.977 1.00 0.00 C ATOM 1461 C VAL A 99 -7.434 0.819 9.422 1.00 0.00 C ATOM 1462 O VAL A 99 -6.692 0.334 10.277 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.760 -0.433 7.371 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.877 -1.374 7.797 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.671 -0.349 5.855 1.00 0.00 C ATOM 0 H VAL A 99 -4.903 1.271 8.130 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.739 1.490 7.406 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.818 -0.833 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.710 -2.358 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.888 -1.457 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.834 -0.982 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.521 -1.347 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.595 0.072 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.833 0.289 5.575 1.00 0.00 H new ATOM 1475 N THR A 100 -8.666 1.241 9.690 1.00 0.00 N ATOM 1476 CA THR A 100 -9.228 1.156 11.032 1.00 0.00 C ATOM 1477 C THR A 100 -10.471 0.274 11.053 1.00 0.00 C ATOM 1478 O THR A 100 -10.887 -0.253 10.021 1.00 0.00 O ATOM 1479 CB THR A 100 -9.591 2.550 11.578 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.752 3.051 10.906 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.434 3.521 11.396 1.00 0.00 C ATOM 0 H THR A 100 -9.294 1.645 8.995 1.00 0.00 H new ATOM 0 HA THR A 100 -8.462 0.713 11.668 1.00 0.00 H new ATOM 0 HB THR A 100 -9.800 2.456 12.644 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.959 3.950 11.237 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.714 4.498 11.789 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.560 3.151 11.933 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.197 3.610 10.336 1.00 0.00 H new ATOM 1489 N ARG A 101 -11.061 0.119 12.234 1.00 0.00 N ATOM 1490 CA ARG A 101 -12.257 -0.700 12.388 1.00 0.00 C ATOM 1491 C ARG A 101 -13.483 0.017 11.829 1.00 0.00 C ATOM 1492 O ARG A 101 -14.588 -0.522 11.839 1.00 0.00 O ATOM 1493 CB ARG A 101 -12.481 -1.040 13.863 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.760 -2.299 14.314 1.00 0.00 C ATOM 1495 CD ARG A 101 -12.286 -2.794 15.652 1.00 0.00 C ATOM 1496 NE ARG A 101 -12.087 -4.231 15.821 1.00 0.00 N ATOM 1497 CZ ARG A 101 -12.767 -5.152 15.147 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -13.686 -4.787 14.263 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -12.529 -6.440 15.356 1.00 0.00 N ATOM 0 H ARG A 101 -10.730 0.550 13.097 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.110 -1.623 11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.148 -0.202 14.475 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.550 -1.160 14.041 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.883 -3.079 13.563 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.691 -2.099 14.394 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.783 -2.261 16.459 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.348 -2.563 15.732 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.387 -4.545 16.494 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.872 -3.797 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.207 -5.496 13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -11.823 -6.725 16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.052 -7.146 14.838 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.277 1.238 11.342 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.374 2.009 10.786 1.00 0.00 C ATOM 1515 C GLY A 102 -14.412 1.953 9.272 1.00 0.00 C ATOM 1516 O GLY A 102 -15.481 1.835 8.675 1.00 0.00 O ATOM 0 H GLY A 102 -12.371 1.706 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.317 1.634 11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.284 3.047 11.106 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.241 2.041 8.648 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.168 2.000 7.199 1.00 0.00 C ATOM 1522 C GLY A 103 -11.807 2.414 6.675 1.00 0.00 C ATOM 1523 O GLY A 103 -10.919 2.775 7.449 1.00 0.00 O ATOM 0 H GLY A 103 -12.342 2.140 9.120 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.395 0.991 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.930 2.658 6.781 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.640 2.360 5.358 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.376 2.732 4.731 1.00 0.00 C ATOM 1529 C VAL A 104 -10.366 4.207 4.347 1.00 0.00 C ATOM 1530 O VAL A 104 -11.270 4.687 3.664 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.102 1.883 3.476 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -8.670 2.080 3.001 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -10.383 0.414 3.754 1.00 0.00 C ATOM 0 H VAL A 104 -12.364 2.062 4.704 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.591 2.546 5.464 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.772 2.213 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.494 1.472 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.508 3.131 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.980 1.778 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.184 -0.171 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.740 0.067 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.427 0.292 4.043 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.337 4.922 4.790 1.00 0.00 N ATOM 1544 CA GLY A 105 -9.228 6.336 4.482 1.00 0.00 C ATOM 1545 C GLY A 105 -8.416 6.595 3.229 1.00 0.00 C ATOM 1546 O GLY A 105 -8.036 5.672 2.507 1.00 0.00 O ATOM 0 H GLY A 105 -8.576 4.547 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.226 6.756 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.767 6.854 5.323 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.138 7.878 2.954 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.364 8.286 1.778 1.00 0.00 C ATOM 1552 C PRO A 106 -5.895 7.889 1.884 1.00 0.00 C ATOM 1553 O PRO A 106 -5.280 8.027 2.942 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.507 9.810 1.771 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.772 10.173 3.191 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.558 9.029 3.770 1.00 0.00 C ATOM 0 HA PRO A 106 -7.723 7.806 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.601 10.291 1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.323 10.128 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.840 10.322 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.333 11.105 3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.330 8.878 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.632 9.202 3.698 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.339 7.396 0.783 1.00 0.00 N ATOM 1565 CA PHE A 107 -3.942 6.979 0.753 1.00 0.00 C ATOM 1566 C PHE A 107 -3.012 8.187 0.807 1.00 0.00 C ATOM 1567 O PHE A 107 -3.413 9.307 0.490 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.660 6.160 -0.508 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.252 4.780 -0.472 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.624 4.602 -0.397 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.436 3.660 -0.513 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.171 3.333 -0.362 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -3.978 2.389 -0.479 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.347 2.225 -0.405 1.00 0.00 C ATOM 0 H PHE A 107 -5.834 7.275 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.755 6.360 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.054 6.693 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.582 6.081 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.273 5.464 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.365 3.782 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.242 3.208 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.331 1.525 -0.510 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.773 1.233 -0.381 1.00 0.00 H new ATOM 1584 N SER A 108 -1.768 7.951 1.211 1.00 0.00 N ATOM 1585 CA SER A 108 -0.781 9.020 1.311 1.00 0.00 C ATOM 1586 C SER A 108 -0.299 9.446 -0.073 1.00 0.00 C ATOM 1587 O SER A 108 -0.786 8.954 -1.091 1.00 0.00 O ATOM 1588 CB SER A 108 0.407 8.567 2.161 1.00 0.00 C ATOM 1589 OG SER A 108 1.205 7.627 1.463 1.00 0.00 O ATOM 0 H SER A 108 -1.420 7.029 1.474 1.00 0.00 H new ATOM 0 HA SER A 108 -1.256 9.876 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.013 9.431 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.046 8.124 3.089 1.00 0.00 H new ATOM 0 HG SER A 108 1.106 6.744 1.876 1.00 0.00 H new ATOM 1595 N ASP A 109 0.662 10.363 -0.101 1.00 0.00 N ATOM 1596 CA ASP A 109 1.212 10.855 -1.358 1.00 0.00 C ATOM 1597 C ASP A 109 1.824 9.715 -2.167 1.00 0.00 C ATOM 1598 O ASP A 109 2.716 9.003 -1.705 1.00 0.00 O ATOM 1599 CB ASP A 109 2.266 11.931 -1.092 1.00 0.00 C ATOM 1600 CG ASP A 109 3.235 11.534 0.004 1.00 0.00 C ATOM 1601 OD1 ASP A 109 2.774 11.255 1.130 1.00 0.00 O ATOM 1602 OD2 ASP A 109 4.454 11.503 -0.264 1.00 0.00 O ATOM 0 H ASP A 109 1.076 10.780 0.733 1.00 0.00 H new ATOM 0 HA ASP A 109 0.397 11.291 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.821 12.127 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.770 12.861 -0.815 1.00 0.00 H new ATOM 1607 N PRO A 110 1.335 9.537 -3.403 1.00 0.00 N ATOM 1608 CA PRO A 110 1.818 8.484 -4.302 1.00 0.00 C ATOM 1609 C PRO A 110 3.236 8.751 -4.796 1.00 0.00 C ATOM 1610 O PRO A 110 3.649 9.902 -4.937 1.00 0.00 O ATOM 1611 CB PRO A 110 0.828 8.531 -5.468 1.00 0.00 C ATOM 1612 CG PRO A 110 0.300 9.924 -5.461 1.00 0.00 C ATOM 1613 CD PRO A 110 0.272 10.349 -4.019 1.00 0.00 C ATOM 0 HA PRO A 110 1.867 7.515 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.318 8.298 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.027 7.803 -5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.935 10.585 -6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.697 9.966 -5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.468 11.416 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.698 10.155 -3.562 1.00 0.00 H new ATOM 1621 N VAL A 111 3.978 7.679 -5.057 1.00 0.00 N ATOM 1622 CA VAL A 111 5.350 7.797 -5.537 1.00 0.00 C ATOM 1623 C VAL A 111 5.589 6.897 -6.744 1.00 0.00 C ATOM 1624 O VAL A 111 5.502 5.673 -6.647 1.00 0.00 O ATOM 1625 CB VAL A 111 6.363 7.439 -4.434 1.00 0.00 C ATOM 1626 CG1 VAL A 111 6.509 5.930 -4.312 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.708 8.092 -4.714 1.00 0.00 C ATOM 0 H VAL A 111 3.652 6.719 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 111 5.495 8.837 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 111 5.990 7.822 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.229 5.696 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.544 5.490 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.859 5.521 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.412 7.828 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.090 7.741 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.587 9.175 -4.746 1.00 0.00 H new ATOM 1637 N LYS A 112 5.892 7.512 -7.882 1.00 0.00 N ATOM 1638 CA LYS A 112 6.146 6.767 -9.110 1.00 0.00 C ATOM 1639 C LYS A 112 7.588 6.270 -9.156 1.00 0.00 C ATOM 1640 O LYS A 112 8.520 7.056 -9.324 1.00 0.00 O ATOM 1641 CB LYS A 112 5.859 7.644 -10.331 1.00 0.00 C ATOM 1642 CG LYS A 112 6.240 6.993 -11.650 1.00 0.00 C ATOM 1643 CD LYS A 112 6.213 7.994 -12.793 1.00 0.00 C ATOM 1644 CE LYS A 112 7.522 8.762 -12.893 1.00 0.00 C ATOM 1645 NZ LYS A 112 7.517 9.981 -12.037 1.00 0.00 N ATOM 0 H LYS A 112 5.968 8.524 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 112 5.481 5.903 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.797 7.890 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.402 8.584 -10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.237 6.559 -11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.553 6.175 -11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.024 7.472 -13.731 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.390 8.693 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.347 8.114 -12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.697 9.047 -13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.039 10.743 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.536 10.284 -11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.973 9.768 -11.127 1.00 0.00 H new ATOM 1659 N ILE A 113 7.762 4.961 -9.007 1.00 0.00 N ATOM 1660 CA ILE A 113 9.089 4.360 -9.035 1.00 0.00 C ATOM 1661 C ILE A 113 9.373 3.715 -10.387 1.00 0.00 C ATOM 1662 O ILE A 113 8.508 3.058 -10.967 1.00 0.00 O ATOM 1663 CB ILE A 113 9.250 3.300 -7.929 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.640 2.664 -8.000 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.169 2.237 -8.053 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.701 3.445 -7.256 1.00 0.00 C ATOM 0 H ILE A 113 7.001 4.297 -8.866 1.00 0.00 H new ATOM 0 HA ILE A 113 9.803 5.165 -8.863 1.00 0.00 H new ATOM 0 HB ILE A 113 9.143 3.788 -6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.590 1.655 -7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.935 2.571 -9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.296 1.495 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.188 2.703 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.247 1.750 -9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.660 2.936 -7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.779 4.447 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.429 3.516 -6.203 1.00 0.00 H new ATOM 1678 N PHE A 114 10.591 3.905 -10.883 1.00 0.00 N ATOM 1679 CA PHE A 114 10.990 3.341 -12.168 1.00 0.00 C ATOM 1680 C PHE A 114 11.718 2.014 -11.976 1.00 0.00 C ATOM 1681 O PHE A 114 12.803 1.967 -11.396 1.00 0.00 O ATOM 1682 CB PHE A 114 11.887 4.323 -12.924 1.00 0.00 C ATOM 1683 CG PHE A 114 12.634 3.696 -14.066 1.00 0.00 C ATOM 1684 CD1 PHE A 114 13.871 3.106 -13.861 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.100 3.697 -15.344 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.561 2.528 -14.910 1.00 0.00 C ATOM 1687 CE2 PHE A 114 12.785 3.120 -16.397 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.017 2.536 -16.179 1.00 0.00 C ATOM 0 H PHE A 114 11.319 4.445 -10.415 1.00 0.00 H new ATOM 0 HA PHE A 114 10.088 3.160 -12.753 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.276 5.141 -13.306 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.603 4.759 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.301 3.098 -12.870 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.137 4.154 -15.520 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.524 2.071 -14.737 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.357 3.126 -17.389 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.555 2.086 -17.000 1.00 0.00 H new ATOM 1698 N ILE A 115 11.114 0.938 -12.468 1.00 0.00 N ATOM 1699 CA ILE A 115 11.704 -0.390 -12.352 1.00 0.00 C ATOM 1700 C ILE A 115 12.686 -0.656 -13.488 1.00 0.00 C ATOM 1701 O ILE A 115 12.304 -0.812 -14.648 1.00 0.00 O ATOM 1702 CB ILE A 115 10.625 -1.488 -12.353 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.419 -1.049 -11.519 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.197 -2.794 -11.820 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.647 -1.149 -10.027 1.00 0.00 C ATOM 0 H ILE A 115 10.216 0.960 -12.951 1.00 0.00 H new ATOM 0 HA ILE A 115 12.236 -0.417 -11.401 1.00 0.00 H new ATOM 0 HB ILE A 115 10.294 -1.651 -13.379 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.168 -0.019 -11.772 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.559 -1.662 -11.789 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.422 -3.560 -11.827 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.027 -3.112 -12.451 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.552 -2.646 -10.800 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.751 -0.822 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.868 -2.183 -9.761 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.487 -0.514 -9.744 1.00 0.00 H new ATOM 1717 N PRO A 116 13.982 -0.712 -13.149 1.00 0.00 N ATOM 1718 CA PRO A 116 15.046 -0.962 -14.126 1.00 0.00 C ATOM 1719 C PRO A 116 15.022 -2.392 -14.656 1.00 0.00 C ATOM 1720 O PRO A 116 14.893 -3.346 -13.889 1.00 0.00 O ATOM 1721 CB PRO A 116 16.327 -0.709 -13.328 1.00 0.00 C ATOM 1722 CG PRO A 116 15.947 -0.960 -11.910 1.00 0.00 C ATOM 1723 CD PRO A 116 14.510 -0.535 -11.786 1.00 0.00 C ATOM 0 HA PRO A 116 14.946 -0.330 -15.009 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.129 -1.375 -13.646 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.685 0.311 -13.467 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.066 -2.013 -11.654 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.582 -0.393 -11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.971 -1.148 -11.064 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.424 0.499 -11.453 1.00 0.00 H new ATOM 1731 N ALA A 117 15.147 -2.533 -15.971 1.00 0.00 N ATOM 1732 CA ALA A 117 15.142 -3.847 -16.602 1.00 0.00 C ATOM 1733 C ALA A 117 16.158 -4.776 -15.945 1.00 0.00 C ATOM 1734 O ALA A 117 17.115 -4.321 -15.318 1.00 0.00 O ATOM 1735 CB ALA A 117 15.429 -3.718 -18.091 1.00 0.00 C ATOM 0 H ALA A 117 15.253 -1.754 -16.620 1.00 0.00 H new ATOM 0 HA ALA A 117 14.152 -4.282 -16.469 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.422 -4.707 -18.550 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.664 -3.097 -18.557 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.407 -3.258 -18.235 1.00 0.00 H new