USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=21 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= -0.282 X(o=-0.28,f=-0.005) USER MOD Single : A 26 THR OG1 : rot -8:sc= 0.65 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.172 F(o=-1.3,f=-0.17) 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 :FLIP amide:sc= -2.71! C(o=-4.5!,f=-2.7!) USER MOD Single : A 41 MET CE :methyl -158:sc= -0.0911 (180deg=-0.483) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 58 SER OG : rot 131:sc= 1.21 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.87 F(o=-5.6!,f=-2.9) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 67 SER OG : rot 32:sc= 0.605 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0114) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 77 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.35) 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= -0.105 K(o=-0.11,f=-1.9!) USER MOD Single : A 88 HIS : no HD1:sc= -0.702 X(o=-0.7,f=-0.81) USER MOD Single : A 89 ASN :FLIP amide:sc= 0.253 F(o=-1.1,f=0.25) USER MOD Single : A 91 THR OG1 : rot 39:sc= 0.315 USER MOD Single : A 92 CYS SG : rot 180:sc= -0.0367 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -52:sc= -0.566 USER MOD Single : A 108 SER OG : rot 150:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.402 6.950 10.237 1.00 0.00 N ATOM 200 CA ALA A 17 -13.291 6.312 9.542 1.00 0.00 C ATOM 201 C ALA A 17 -12.021 7.150 9.651 1.00 0.00 C ATOM 202 O ALA A 17 -12.060 8.342 9.956 1.00 0.00 O ATOM 203 CB ALA A 17 -13.646 6.078 8.081 1.00 0.00 C ATOM 0 HA ALA A 17 -13.103 5.350 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.807 5.601 7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.522 5.433 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.864 7.033 7.602 1.00 0.00 H new ATOM 209 N PRO A 18 -10.868 6.514 9.398 1.00 0.00 N ATOM 210 CA PRO A 18 -9.565 7.182 9.463 1.00 0.00 C ATOM 211 C PRO A 18 -9.372 8.187 8.332 1.00 0.00 C ATOM 212 O PRO A 18 -8.860 7.846 7.266 1.00 0.00 O ATOM 213 CB PRO A 18 -8.567 6.029 9.329 1.00 0.00 C ATOM 214 CG PRO A 18 -9.313 4.967 8.596 1.00 0.00 C ATOM 215 CD PRO A 18 -10.747 5.093 9.029 1.00 0.00 C ATOM 0 HA PRO A 18 -9.449 7.760 10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.677 6.338 8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.235 5.677 10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.218 5.097 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.919 3.979 8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.434 4.826 8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.972 4.439 9.871 1.00 0.00 H new ATOM 223 N SER A 19 -9.785 9.428 8.572 1.00 0.00 N ATOM 224 CA SER A 19 -9.661 10.482 7.572 1.00 0.00 C ATOM 225 C SER A 19 -8.238 11.031 7.536 1.00 0.00 C ATOM 226 O SER A 19 -8.030 12.243 7.475 1.00 0.00 O ATOM 227 CB SER A 19 -10.649 11.612 7.866 1.00 0.00 C ATOM 228 OG SER A 19 -11.953 11.277 7.422 1.00 0.00 O ATOM 0 H SER A 19 -10.208 9.728 9.450 1.00 0.00 H new ATOM 0 HA SER A 19 -9.891 10.053 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.667 11.815 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.318 12.526 7.374 1.00 0.00 H new ATOM 0 HG SER A 19 -12.566 12.014 7.623 1.00 0.00 H new ATOM 234 N VAL A 20 -7.261 10.131 7.576 1.00 0.00 N ATOM 235 CA VAL A 20 -5.857 10.524 7.547 1.00 0.00 C ATOM 236 C VAL A 20 -4.981 9.393 7.021 1.00 0.00 C ATOM 237 O VAL A 20 -5.256 8.218 7.260 1.00 0.00 O ATOM 238 CB VAL A 20 -5.361 10.936 8.946 1.00 0.00 C ATOM 239 CG1 VAL A 20 -6.109 12.166 9.437 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.513 9.783 9.926 1.00 0.00 C ATOM 0 H VAL A 20 -7.416 9.124 7.629 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.781 11.380 6.876 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.303 11.187 8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.745 12.442 10.427 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.943 12.992 8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.175 11.946 9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.158 10.092 10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.563 9.498 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.927 8.931 9.580 1.00 0.00 H new ATOM 250 N ALA A 21 -3.922 9.757 6.304 1.00 0.00 N ATOM 251 CA ALA A 21 -3.003 8.773 5.747 1.00 0.00 C ATOM 252 C ALA A 21 -1.686 8.754 6.515 1.00 0.00 C ATOM 253 O ALA A 21 -1.407 9.628 7.337 1.00 0.00 O ATOM 254 CB ALA A 21 -2.753 9.059 4.273 1.00 0.00 C ATOM 0 H ALA A 21 -3.680 10.726 6.096 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.462 7.789 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.065 8.316 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.696 9.013 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.319 10.053 4.164 1.00 0.00 H new ATOM 260 N PRO A 22 -0.855 7.737 6.244 1.00 0.00 N ATOM 261 CA PRO A 22 0.446 7.581 6.899 1.00 0.00 C ATOM 262 C PRO A 22 1.448 8.643 6.460 1.00 0.00 C ATOM 263 O PRO A 22 1.551 8.962 5.275 1.00 0.00 O ATOM 264 CB PRO A 22 0.907 6.193 6.447 1.00 0.00 C ATOM 265 CG PRO A 22 0.203 5.962 5.155 1.00 0.00 C ATOM 266 CD PRO A 22 -1.123 6.660 5.275 1.00 0.00 C ATOM 0 HA PRO A 22 0.372 7.690 7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.989 6.157 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.647 5.431 7.181 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.779 6.360 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.068 4.896 4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.457 7.056 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.902 5.985 5.630 1.00 0.00 H new ATOM 274 N LEU A 23 2.184 9.189 7.422 1.00 0.00 N ATOM 275 CA LEU A 23 3.179 10.217 7.134 1.00 0.00 C ATOM 276 C LEU A 23 4.571 9.606 7.007 1.00 0.00 C ATOM 277 O LEU A 23 4.761 8.415 7.246 1.00 0.00 O ATOM 278 CB LEU A 23 3.174 11.281 8.233 1.00 0.00 C ATOM 279 CG LEU A 23 2.665 10.829 9.602 1.00 0.00 C ATOM 280 CD1 LEU A 23 3.030 11.848 10.671 1.00 0.00 C ATOM 281 CD2 LEU A 23 1.159 10.609 9.565 1.00 0.00 C ATOM 0 H LEU A 23 2.111 8.937 8.408 1.00 0.00 H new ATOM 0 HA LEU A 23 2.919 10.684 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.190 11.657 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.561 12.118 7.898 1.00 0.00 H new ATOM 0 HG LEU A 23 3.145 9.883 9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.659 11.509 11.638 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.114 11.957 10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.579 12.810 10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.814 10.288 10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.662 11.540 9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.921 9.842 8.828 1.00 0.00 H new ATOM 293 N ASN A 24 5.541 10.433 6.630 1.00 0.00 N ATOM 294 CA ASN A 24 6.917 9.975 6.473 1.00 0.00 C ATOM 295 C ASN A 24 6.979 8.735 5.586 1.00 0.00 C ATOM 296 O ASN A 24 7.718 7.792 5.870 1.00 0.00 O ATOM 297 CB ASN A 24 7.534 9.669 7.839 1.00 0.00 C ATOM 298 CG ASN A 24 8.027 10.919 8.543 1.00 0.00 C ATOM 299 OD1 ASN A 24 9.231 11.130 8.687 1.00 0.00 O ATOM 300 ND2 ASN A 24 7.094 11.754 8.986 1.00 0.00 N ATOM 0 H ASN A 24 5.400 11.423 6.428 1.00 0.00 H new ATOM 0 HA ASN A 24 7.487 10.772 5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.794 9.170 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.365 8.975 7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.364 12.611 9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.107 11.538 8.844 1.00 0.00 H new ATOM 307 N VAL A 25 6.199 8.744 4.510 1.00 0.00 N ATOM 308 CA VAL A 25 6.167 7.622 3.580 1.00 0.00 C ATOM 309 C VAL A 25 7.407 7.606 2.693 1.00 0.00 C ATOM 310 O VAL A 25 7.626 8.519 1.896 1.00 0.00 O ATOM 311 CB VAL A 25 4.912 7.668 2.687 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.951 6.554 1.652 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.652 7.576 3.535 1.00 0.00 C ATOM 0 H VAL A 25 5.581 9.516 4.261 1.00 0.00 H new ATOM 0 HA VAL A 25 6.143 6.714 4.182 1.00 0.00 H new ATOM 0 HB VAL A 25 4.898 8.621 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.057 6.603 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.835 6.671 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.989 5.589 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.775 7.610 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.656 6.639 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.621 8.413 4.233 1.00 0.00 H new ATOM 323 N THR A 26 8.217 6.562 2.837 1.00 0.00 N ATOM 324 CA THR A 26 9.437 6.428 2.050 1.00 0.00 C ATOM 325 C THR A 26 9.412 5.155 1.212 1.00 0.00 C ATOM 326 O THR A 26 8.587 4.269 1.434 1.00 0.00 O ATOM 327 CB THR A 26 10.687 6.412 2.950 1.00 0.00 C ATOM 328 OG1 THR A 26 10.512 5.472 4.016 1.00 0.00 O ATOM 329 CG2 THR A 26 10.957 7.795 3.525 1.00 0.00 C ATOM 0 H THR A 26 8.050 5.797 3.491 1.00 0.00 H new ATOM 0 HA THR A 26 9.485 7.294 1.390 1.00 0.00 H new ATOM 0 HB THR A 26 11.542 6.115 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.590 5.140 4.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.844 7.759 4.157 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.119 8.502 2.711 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.101 8.116 4.119 1.00 0.00 H new ATOM 337 N VAL A 27 10.323 5.069 0.248 1.00 0.00 N ATOM 338 CA VAL A 27 10.407 3.903 -0.623 1.00 0.00 C ATOM 339 C VAL A 27 11.857 3.565 -0.952 1.00 0.00 C ATOM 340 O VAL A 27 12.627 4.429 -1.373 1.00 0.00 O ATOM 341 CB VAL A 27 9.633 4.126 -1.936 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.788 2.925 -2.858 1.00 0.00 C ATOM 343 CG2 VAL A 27 8.165 4.402 -1.648 1.00 0.00 C ATOM 0 H VAL A 27 11.013 5.793 0.051 1.00 0.00 H new ATOM 0 HA VAL A 27 9.957 3.071 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 27 10.051 4.997 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.234 3.101 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.843 2.778 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.398 2.035 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.633 4.557 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.731 3.552 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.077 5.295 -1.029 1.00 0.00 H new ATOM 353 N PHE A 28 12.224 2.303 -0.757 1.00 0.00 N ATOM 354 CA PHE A 28 13.583 1.850 -1.033 1.00 0.00 C ATOM 355 C PHE A 28 13.575 0.636 -1.956 1.00 0.00 C ATOM 356 O PHE A 28 12.894 -0.356 -1.692 1.00 0.00 O ATOM 357 CB PHE A 28 14.303 1.508 0.273 1.00 0.00 C ATOM 358 CG PHE A 28 14.566 2.702 1.144 1.00 0.00 C ATOM 359 CD1 PHE A 28 15.666 3.514 0.916 1.00 0.00 C ATOM 360 CD2 PHE A 28 13.713 3.014 2.191 1.00 0.00 C ATOM 361 CE1 PHE A 28 15.910 4.613 1.717 1.00 0.00 C ATOM 362 CE2 PHE A 28 13.953 4.113 2.994 1.00 0.00 C ATOM 363 CZ PHE A 28 15.052 4.914 2.757 1.00 0.00 C ATOM 0 H PHE A 28 11.600 1.575 -0.409 1.00 0.00 H new ATOM 0 HA PHE A 28 14.115 2.659 -1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.705 0.787 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.251 1.023 0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 28 16.340 3.285 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.851 2.391 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 28 16.772 5.237 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.281 4.345 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.241 5.774 3.383 1.00 0.00 H new ATOM 373 N LEU A 29 14.336 0.721 -3.042 1.00 0.00 N ATOM 374 CA LEU A 29 14.417 -0.370 -4.007 1.00 0.00 C ATOM 375 C LEU A 29 15.757 -1.091 -3.901 1.00 0.00 C ATOM 376 O LEU A 29 16.785 -0.579 -4.342 1.00 0.00 O ATOM 377 CB LEU A 29 14.223 0.163 -5.427 1.00 0.00 C ATOM 378 CG LEU A 29 14.724 -0.737 -6.557 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.774 -1.906 -6.769 1.00 0.00 C ATOM 380 CD2 LEU A 29 14.887 0.061 -7.842 1.00 0.00 C ATOM 0 H LEU A 29 14.906 1.534 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 29 13.623 -1.082 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.160 0.349 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.729 1.125 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 29 15.699 -1.135 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.147 -2.536 -7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.709 -2.492 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.785 -1.529 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.244 -0.596 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.926 0.488 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.608 0.863 -7.683 1.00 0.00 H new ATOM 392 N ASN A 30 15.737 -2.284 -3.316 1.00 0.00 N ATOM 393 CA ASN A 30 16.950 -3.077 -3.154 1.00 0.00 C ATOM 394 C ASN A 30 17.415 -3.640 -4.494 1.00 0.00 C ATOM 395 O ASN A 30 16.696 -4.400 -5.142 1.00 0.00 O ATOM 396 CB ASN A 30 16.710 -4.219 -2.165 1.00 0.00 C ATOM 397 CG ASN A 30 16.556 -3.726 -0.739 1.00 0.00 C ATOM 398 OD1 ASN A 30 15.384 -3.186 -0.424 1.00 0.00 O flip ATOM 399 ND2 ASN A 30 17.479 -3.829 0.069 1.00 0.00 N flip ATOM 0 H ASN A 30 14.894 -2.723 -2.946 1.00 0.00 H new ATOM 0 HA ASN A 30 17.731 -2.425 -2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.813 -4.766 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.542 -4.921 -2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.362 -4.251 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.360 -3.492 1.025 1.00 0.00 H new ATOM 406 N GLU A 31 18.622 -3.261 -4.903 1.00 0.00 N ATOM 407 CA GLU A 31 19.182 -3.728 -6.166 1.00 0.00 C ATOM 408 C GLU A 31 19.661 -5.172 -6.047 1.00 0.00 C ATOM 409 O GLU A 31 19.445 -5.984 -6.946 1.00 0.00 O ATOM 410 CB GLU A 31 20.341 -2.828 -6.599 1.00 0.00 C ATOM 411 CG GLU A 31 19.900 -1.456 -7.080 1.00 0.00 C ATOM 412 CD GLU A 31 19.636 -0.494 -5.939 1.00 0.00 C ATOM 413 OE1 GLU A 31 20.233 -0.679 -4.857 1.00 0.00 O ATOM 414 OE2 GLU A 31 18.833 0.444 -6.126 1.00 0.00 O ATOM 0 H GLU A 31 19.230 -2.632 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 31 18.397 -3.685 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 31 21.028 -2.706 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.895 -3.322 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.669 -1.039 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.996 -1.559 -7.680 1.00 0.00 H new ATOM 421 N SER A 32 20.314 -5.483 -4.932 1.00 0.00 N ATOM 422 CA SER A 32 20.828 -6.827 -4.697 1.00 0.00 C ATOM 423 C SER A 32 19.695 -7.848 -4.687 1.00 0.00 C ATOM 424 O SER A 32 19.845 -8.964 -5.185 1.00 0.00 O ATOM 425 CB SER A 32 21.590 -6.880 -3.371 1.00 0.00 C ATOM 426 OG SER A 32 22.353 -8.070 -3.269 1.00 0.00 O ATOM 0 H SER A 32 20.500 -4.822 -4.177 1.00 0.00 H new ATOM 0 HA SER A 32 21.510 -7.076 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.248 -6.014 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.886 -6.823 -2.541 1.00 0.00 H new ATOM 0 HG SER A 32 22.832 -8.079 -2.414 1.00 0.00 H new ATOM 432 N SER A 33 18.560 -7.458 -4.116 1.00 0.00 N ATOM 433 CA SER A 33 17.401 -8.339 -4.036 1.00 0.00 C ATOM 434 C SER A 33 16.333 -7.924 -5.044 1.00 0.00 C ATOM 435 O SER A 33 16.222 -6.751 -5.399 1.00 0.00 O ATOM 436 CB SER A 33 16.818 -8.324 -2.622 1.00 0.00 C ATOM 437 OG SER A 33 17.805 -8.656 -1.660 1.00 0.00 O ATOM 0 H SER A 33 18.418 -6.537 -3.702 1.00 0.00 H new ATOM 0 HA SER A 33 17.728 -9.351 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.410 -7.337 -2.404 1.00 0.00 H new ATOM 0 HB3 SER A 33 15.991 -9.031 -2.559 1.00 0.00 H new ATOM 0 HG SER A 33 17.408 -8.638 -0.764 1.00 0.00 H new ATOM 443 N ASP A 34 15.550 -8.896 -5.499 1.00 0.00 N ATOM 444 CA ASP A 34 14.489 -8.633 -6.465 1.00 0.00 C ATOM 445 C ASP A 34 13.191 -8.257 -5.757 1.00 0.00 C ATOM 446 O ASP A 34 12.125 -8.782 -6.074 1.00 0.00 O ATOM 447 CB ASP A 34 14.264 -9.858 -7.353 1.00 0.00 C ATOM 448 CG ASP A 34 13.851 -11.081 -6.558 1.00 0.00 C ATOM 449 OD1 ASP A 34 14.641 -11.523 -5.698 1.00 0.00 O ATOM 450 OD2 ASP A 34 12.739 -11.597 -6.796 1.00 0.00 O ATOM 0 H ASP A 34 15.630 -9.872 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 34 14.798 -7.794 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.495 -9.632 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.179 -10.078 -7.903 1.00 0.00 H new ATOM 455 N ASN A 35 13.290 -7.344 -4.796 1.00 0.00 N ATOM 456 CA ASN A 35 12.124 -6.898 -4.042 1.00 0.00 C ATOM 457 C ASN A 35 12.209 -5.405 -3.741 1.00 0.00 C ATOM 458 O ASN A 35 13.258 -4.784 -3.915 1.00 0.00 O ATOM 459 CB ASN A 35 12.003 -7.687 -2.737 1.00 0.00 C ATOM 460 CG ASN A 35 13.242 -7.566 -1.871 1.00 0.00 C ATOM 461 OD1 ASN A 35 13.907 -8.690 -1.629 1.00 0.00 O flip ATOM 462 ND2 ASN A 35 13.597 -6.475 -1.425 1.00 0.00 N flip ATOM 0 H ASN A 35 14.166 -6.899 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 35 11.238 -7.077 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.137 -7.331 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.824 -8.738 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.055 -5.637 -1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.433 -6.409 -0.844 1.00 0.00 H new ATOM 469 N VAL A 36 11.098 -4.834 -3.287 1.00 0.00 N ATOM 470 CA VAL A 36 11.047 -3.414 -2.960 1.00 0.00 C ATOM 471 C VAL A 36 10.686 -3.201 -1.494 1.00 0.00 C ATOM 472 O VAL A 36 9.665 -3.697 -1.017 1.00 0.00 O ATOM 473 CB VAL A 36 10.025 -2.671 -3.842 1.00 0.00 C ATOM 474 CG1 VAL A 36 10.099 -1.172 -3.597 1.00 0.00 C ATOM 475 CG2 VAL A 36 10.257 -2.992 -5.310 1.00 0.00 C ATOM 0 H VAL A 36 10.221 -5.333 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 36 12.041 -3.009 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 36 9.024 -3.010 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.370 -0.664 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.880 -0.963 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.100 -0.813 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.527 -2.459 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.262 -2.683 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.149 -4.065 -5.469 1.00 0.00 H new ATOM 485 N ASP A 37 11.530 -2.460 -0.785 1.00 0.00 N ATOM 486 CA ASP A 37 11.300 -2.179 0.628 1.00 0.00 C ATOM 487 C ASP A 37 10.447 -0.926 0.801 1.00 0.00 C ATOM 488 O ASP A 37 10.517 0.001 -0.007 1.00 0.00 O ATOM 489 CB ASP A 37 12.633 -2.009 1.359 1.00 0.00 C ATOM 490 CG ASP A 37 12.554 -2.436 2.812 1.00 0.00 C ATOM 491 OD1 ASP A 37 11.777 -1.820 3.570 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.271 -3.387 3.191 1.00 0.00 O ATOM 0 H ASP A 37 12.380 -2.043 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 37 10.763 -3.024 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.400 -2.595 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.943 -0.965 1.306 1.00 0.00 H new ATOM 497 N ILE A 38 9.642 -0.906 1.858 1.00 0.00 N ATOM 498 CA ILE A 38 8.776 0.233 2.136 1.00 0.00 C ATOM 499 C ILE A 38 8.717 0.526 3.631 1.00 0.00 C ATOM 500 O ILE A 38 8.671 -0.391 4.452 1.00 0.00 O ATOM 501 CB ILE A 38 7.347 -0.006 1.614 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.382 -0.426 0.143 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.502 1.247 1.792 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.492 -1.922 -0.056 1.00 0.00 C ATOM 0 H ILE A 38 9.572 -1.665 2.536 1.00 0.00 H new ATOM 0 HA ILE A 38 9.205 1.090 1.617 1.00 0.00 H new ATOM 0 HB ILE A 38 6.894 -0.812 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.479 -0.067 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.226 0.060 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.495 1.063 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.455 1.507 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.950 2.070 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.512 -2.147 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.409 -2.284 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.634 -2.414 0.403 1.00 0.00 H new ATOM 516 N ARG A 39 8.716 1.809 3.978 1.00 0.00 N ATOM 517 CA ARG A 39 8.661 2.223 5.375 1.00 0.00 C ATOM 518 C ARG A 39 7.884 3.527 5.525 1.00 0.00 C ATOM 519 O ARG A 39 8.110 4.485 4.785 1.00 0.00 O ATOM 520 CB ARG A 39 10.075 2.392 5.935 1.00 0.00 C ATOM 521 CG ARG A 39 10.105 2.844 7.386 1.00 0.00 C ATOM 522 CD ARG A 39 9.724 1.714 8.329 1.00 0.00 C ATOM 523 NE ARG A 39 10.106 2.000 9.709 1.00 0.00 N ATOM 524 CZ ARG A 39 10.248 1.065 10.642 1.00 0.00 C ATOM 525 NH1 ARG A 39 10.042 -0.210 10.343 1.00 0.00 N ATOM 526 NH2 ARG A 39 10.598 1.405 11.876 1.00 0.00 N ATOM 0 H ARG A 39 8.753 2.580 3.311 1.00 0.00 H new ATOM 0 HA ARG A 39 8.145 1.446 5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.607 1.445 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.614 3.118 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.102 3.206 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.419 3.680 7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.648 1.547 8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.206 0.792 8.003 1.00 0.00 H new ATOM 0 HE ARG A 39 10.273 2.971 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.774 -0.475 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.152 -0.926 11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.758 2.385 12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.707 0.686 12.592 1.00 0.00 H new ATOM 540 N TRP A 40 6.968 3.556 6.486 1.00 0.00 N ATOM 541 CA TRP A 40 6.156 4.743 6.733 1.00 0.00 C ATOM 542 C TRP A 40 5.973 4.975 8.229 1.00 0.00 C ATOM 543 O TRP A 40 6.493 4.222 9.051 1.00 0.00 O ATOM 544 CB TRP A 40 4.793 4.603 6.055 1.00 0.00 C ATOM 545 CG TRP A 40 4.064 3.351 6.437 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.002 3.248 7.290 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.346 2.023 5.982 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.606 1.936 7.392 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.414 1.165 6.599 1.00 0.00 C ATOM 550 CE3 TRP A 40 5.292 1.475 5.113 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.405 -0.209 6.374 1.00 0.00 C ATOM 552 CZ3 TRP A 40 5.282 0.111 4.890 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.343 -0.718 5.518 1.00 0.00 C ATOM 0 H TRP A 40 6.769 2.772 7.107 1.00 0.00 H new ATOM 0 HA TRP A 40 6.676 5.603 6.312 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.178 5.465 6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.930 4.619 4.974 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.541 4.076 7.808 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.835 1.592 7.965 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.019 2.106 4.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.683 -0.850 6.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.010 -0.323 4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.360 -1.780 5.322 1.00 0.00 H new ATOM 564 N MET A 41 5.230 6.022 8.574 1.00 0.00 N ATOM 565 CA MET A 41 4.977 6.351 9.971 1.00 0.00 C ATOM 566 C MET A 41 3.501 6.174 10.313 1.00 0.00 C ATOM 567 O MET A 41 2.654 6.079 9.425 1.00 0.00 O ATOM 568 CB MET A 41 5.411 7.788 10.265 1.00 0.00 C ATOM 569 CG MET A 41 6.883 7.918 10.621 1.00 0.00 C ATOM 570 SD MET A 41 7.219 7.512 12.346 1.00 0.00 S ATOM 571 CE MET A 41 6.484 8.920 13.174 1.00 0.00 C ATOM 0 H MET A 41 4.793 6.656 7.905 1.00 0.00 H new ATOM 0 HA MET A 41 5.560 5.669 10.590 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.200 8.408 9.393 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.811 8.179 11.087 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.468 7.262 9.977 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.213 8.938 10.421 1.00 0.00 H new ATOM 0 HE1 MET A 41 6.926 9.031 14.164 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.668 9.822 12.591 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.410 8.764 13.272 1.00 0.00 H new ATOM 581 N LYS A 42 3.199 6.129 11.607 1.00 0.00 N ATOM 582 CA LYS A 42 1.825 5.964 12.067 1.00 0.00 C ATOM 583 C LYS A 42 1.146 7.318 12.248 1.00 0.00 C ATOM 584 O LYS A 42 1.700 8.243 12.842 1.00 0.00 O ATOM 585 CB LYS A 42 1.797 5.187 13.385 1.00 0.00 C ATOM 586 CG LYS A 42 0.403 5.021 13.964 1.00 0.00 C ATOM 587 CD LYS A 42 0.426 4.214 15.251 1.00 0.00 C ATOM 588 CE LYS A 42 -0.958 3.692 15.607 1.00 0.00 C ATOM 589 NZ LYS A 42 -1.073 3.369 17.056 1.00 0.00 N ATOM 0 H LYS A 42 3.888 6.205 12.356 1.00 0.00 H new ATOM 0 HA LYS A 42 1.279 5.402 11.309 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.235 4.202 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.425 5.701 14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.031 6.002 14.156 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.238 4.526 13.235 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.115 3.377 15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.802 4.835 16.064 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.707 4.438 15.341 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.172 2.800 15.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.030 3.017 17.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.375 2.639 17.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.894 4.226 17.618 1.00 0.00 H new ATOM 603 N PRO A 43 -0.084 7.438 11.727 1.00 0.00 N ATOM 604 CA PRO A 43 -0.866 8.674 11.821 1.00 0.00 C ATOM 605 C PRO A 43 -1.336 8.957 13.244 1.00 0.00 C ATOM 606 O PRO A 43 -1.430 8.059 14.081 1.00 0.00 O ATOM 607 CB PRO A 43 -2.064 8.406 10.906 1.00 0.00 C ATOM 608 CG PRO A 43 -2.202 6.923 10.886 1.00 0.00 C ATOM 609 CD PRO A 43 -0.806 6.376 11.006 1.00 0.00 C ATOM 0 HA PRO A 43 -0.281 9.549 11.536 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.967 8.882 11.287 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.893 8.801 9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.828 6.578 11.709 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.675 6.587 9.963 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.789 5.435 11.555 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.365 6.183 10.028 1.00 0.00 H new ATOM 617 N PRO A 44 -1.638 10.233 13.525 1.00 0.00 N ATOM 618 CA PRO A 44 -2.104 10.662 14.847 1.00 0.00 C ATOM 619 C PRO A 44 -3.509 10.158 15.159 1.00 0.00 C ATOM 620 O PRO A 44 -4.074 10.469 16.208 1.00 0.00 O ATOM 621 CB PRO A 44 -2.095 12.190 14.748 1.00 0.00 C ATOM 622 CG PRO A 44 -2.248 12.475 13.294 1.00 0.00 C ATOM 623 CD PRO A 44 -1.549 11.354 12.575 1.00 0.00 C ATOM 0 HA PRO A 44 -1.477 10.269 15.647 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.909 12.629 15.325 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.166 12.607 15.138 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.300 12.521 13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.807 13.438 13.037 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.035 11.118 11.628 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.513 11.607 12.347 1.00 0.00 H new ATOM 735 N LEU A 52 -5.181 2.537 15.191 1.00 0.00 N ATOM 736 CA LEU A 52 -4.989 1.838 13.925 1.00 0.00 C ATOM 737 C LEU A 52 -4.842 0.336 14.149 1.00 0.00 C ATOM 738 O LEU A 52 -4.231 -0.100 15.125 1.00 0.00 O ATOM 739 CB LEU A 52 -3.755 2.380 13.202 1.00 0.00 C ATOM 740 CG LEU A 52 -3.172 1.487 12.106 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.522 2.330 11.020 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.170 0.506 12.695 1.00 0.00 C ATOM 0 HA LEU A 52 -5.870 2.010 13.306 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.011 3.343 12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.977 2.566 13.943 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.985 0.918 11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.113 1.677 10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.267 2.991 10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.719 2.926 11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.765 -0.121 11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.359 1.057 13.172 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.667 -0.121 13.435 1.00 0.00 H new ATOM 754 N VAL A 53 -5.404 -0.451 13.237 1.00 0.00 N ATOM 755 CA VAL A 53 -5.333 -1.904 13.333 1.00 0.00 C ATOM 756 C VAL A 53 -4.411 -2.481 12.265 1.00 0.00 C ATOM 757 O VAL A 53 -3.848 -3.562 12.433 1.00 0.00 O ATOM 758 CB VAL A 53 -6.727 -2.545 13.194 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.675 -1.995 14.248 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.280 -2.316 11.795 1.00 0.00 C ATOM 0 H VAL A 53 -5.914 -0.107 12.423 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.932 -2.137 14.319 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.632 -3.619 13.351 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.655 -2.459 14.134 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.282 -2.215 15.241 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.769 -0.916 14.126 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.265 -2.775 11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.362 -1.245 11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.610 -2.763 11.061 1.00 0.00 H new ATOM 770 N GLY A 54 -4.261 -1.751 11.164 1.00 0.00 N ATOM 771 CA GLY A 54 -3.406 -2.205 10.083 1.00 0.00 C ATOM 772 C GLY A 54 -3.237 -1.160 8.998 1.00 0.00 C ATOM 773 O GLY A 54 -3.751 -0.047 9.113 1.00 0.00 O ATOM 0 H GLY A 54 -4.717 -0.853 11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.428 -2.469 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.827 -3.111 9.648 1.00 0.00 H new ATOM 777 N TYR A 55 -2.513 -1.517 7.943 1.00 0.00 N ATOM 778 CA TYR A 55 -2.274 -0.600 6.835 1.00 0.00 C ATOM 779 C TYR A 55 -2.762 -1.197 5.519 1.00 0.00 C ATOM 780 O TYR A 55 -3.014 -2.398 5.425 1.00 0.00 O ATOM 781 CB TYR A 55 -0.784 -0.265 6.735 1.00 0.00 C ATOM 782 CG TYR A 55 -0.288 0.626 7.851 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.491 2.000 7.812 1.00 0.00 C ATOM 784 CD2 TYR A 55 0.384 0.094 8.945 1.00 0.00 C ATOM 785 CE1 TYR A 55 -0.038 2.818 8.829 1.00 0.00 C ATOM 786 CE2 TYR A 55 0.839 0.904 9.967 1.00 0.00 C ATOM 787 CZ TYR A 55 0.626 2.266 9.905 1.00 0.00 C ATOM 788 OH TYR A 55 1.077 3.077 10.920 1.00 0.00 O ATOM 0 H TYR A 55 -2.082 -2.435 7.832 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.833 0.316 7.027 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.211 -1.192 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.593 0.223 5.779 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.012 2.436 6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.553 -0.971 8.997 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.203 3.884 8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.359 0.474 10.810 1.00 0.00 H new ATOM 0 HH TYR A 55 1.522 2.531 11.602 1.00 0.00 H new ATOM 798 N ARG A 56 -2.892 -0.348 4.504 1.00 0.00 N ATOM 799 CA ARG A 56 -3.350 -0.790 3.193 1.00 0.00 C ATOM 800 C ARG A 56 -2.457 -0.232 2.088 1.00 0.00 C ATOM 801 O ARG A 56 -2.544 0.947 1.743 1.00 0.00 O ATOM 802 CB ARG A 56 -4.798 -0.355 2.961 1.00 0.00 C ATOM 803 CG ARG A 56 -5.823 -1.367 3.447 1.00 0.00 C ATOM 804 CD ARG A 56 -6.135 -2.401 2.377 1.00 0.00 C ATOM 805 NE ARG A 56 -7.061 -3.424 2.857 1.00 0.00 N ATOM 806 CZ ARG A 56 -7.138 -4.645 2.342 1.00 0.00 C ATOM 807 NH1 ARG A 56 -6.349 -4.995 1.335 1.00 0.00 N ATOM 808 NH2 ARG A 56 -8.006 -5.521 2.833 1.00 0.00 N ATOM 0 H ARG A 56 -2.687 0.649 4.565 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.296 -1.878 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.969 0.595 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.950 -0.180 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.447 -1.867 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.739 -0.850 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.564 -1.904 1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.209 -2.875 2.050 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.682 -3.187 3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.681 -4.325 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.411 -5.934 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.615 -5.256 3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.064 -6.459 2.436 1.00 0.00 H new ATOM 822 N ILE A 57 -1.600 -1.086 1.539 1.00 0.00 N ATOM 823 CA ILE A 57 -0.692 -0.678 0.474 1.00 0.00 C ATOM 824 C ILE A 57 -1.281 -0.987 -0.898 1.00 0.00 C ATOM 825 O ILE A 57 -1.953 -2.002 -1.083 1.00 0.00 O ATOM 826 CB ILE A 57 0.675 -1.375 0.603 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.285 -1.100 1.979 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.613 -0.908 -0.501 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.386 -2.066 2.356 1.00 0.00 C ATOM 0 H ILE A 57 -1.515 -2.065 1.814 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.552 0.399 0.572 1.00 0.00 H new ATOM 0 HB ILE A 57 0.529 -2.450 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.682 -0.085 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.498 -1.147 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.575 -1.409 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.181 -1.150 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.755 0.170 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.772 -1.811 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.989 -3.081 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.192 -2.003 1.624 1.00 0.00 H new ATOM 841 N SER A 58 -1.022 -0.106 -1.859 1.00 0.00 N ATOM 842 CA SER A 58 -1.528 -0.283 -3.215 1.00 0.00 C ATOM 843 C SER A 58 -0.399 -0.169 -4.235 1.00 0.00 C ATOM 844 O SER A 58 0.053 0.930 -4.558 1.00 0.00 O ATOM 845 CB SER A 58 -2.611 0.754 -3.518 1.00 0.00 C ATOM 846 OG SER A 58 -3.838 0.404 -2.902 1.00 0.00 O ATOM 0 H SER A 58 -0.465 0.738 -1.724 1.00 0.00 H new ATOM 0 HA SER A 58 -1.961 -1.281 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.290 1.734 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.751 0.834 -4.596 1.00 0.00 H new ATOM 0 HG SER A 58 -4.196 1.180 -2.422 1.00 0.00 H new ATOM 852 N HIS A 59 0.053 -1.313 -4.740 1.00 0.00 N ATOM 853 CA HIS A 59 1.129 -1.343 -5.724 1.00 0.00 C ATOM 854 C HIS A 59 0.608 -1.794 -7.085 1.00 0.00 C ATOM 855 O HIS A 59 0.024 -2.871 -7.212 1.00 0.00 O ATOM 856 CB HIS A 59 2.248 -2.275 -5.259 1.00 0.00 C ATOM 857 CG HIS A 59 1.791 -3.679 -5.004 1.00 0.00 C ATOM 858 ND1 HIS A 59 0.958 -4.181 -4.064 1.00 0.00 N flip ATOM 859 CD2 HIS A 59 2.200 -4.753 -5.766 1.00 0.00 C flip ATOM 860 CE1 HIS A 59 0.877 -5.536 -4.273 1.00 0.00 C flip ATOM 861 NE2 HIS A 59 1.636 -5.856 -5.306 1.00 0.00 N flip ATOM 0 H HIS A 59 -0.309 -2.231 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 59 1.526 -0.333 -5.823 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.035 -2.289 -6.013 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.688 -1.874 -4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.876 -4.701 -6.607 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.289 -6.227 -3.688 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.765 -6.795 -5.684 1.00 0.00 H new ATOM 870 N VAL A 60 0.821 -0.963 -8.100 1.00 0.00 N ATOM 871 CA VAL A 60 0.373 -1.276 -9.452 1.00 0.00 C ATOM 872 C VAL A 60 1.513 -1.137 -10.455 1.00 0.00 C ATOM 873 O VAL A 60 2.311 -0.202 -10.377 1.00 0.00 O ATOM 874 CB VAL A 60 -0.790 -0.364 -9.884 1.00 0.00 C ATOM 875 CG1 VAL A 60 -1.247 -0.711 -11.292 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.944 -0.470 -8.898 1.00 0.00 C ATOM 0 H VAL A 60 1.301 -0.067 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 60 0.028 -2.310 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.438 0.668 -9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.069 -0.056 -11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.418 -0.578 -11.987 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.582 -1.748 -11.321 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.757 0.181 -9.219 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.297 -1.501 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.605 -0.167 -7.907 1.00 0.00 H new ATOM 886 N TRP A 61 1.584 -2.071 -11.396 1.00 0.00 N ATOM 887 CA TRP A 61 2.626 -2.052 -12.415 1.00 0.00 C ATOM 888 C TRP A 61 2.052 -1.667 -13.774 1.00 0.00 C ATOM 889 O TRP A 61 1.105 -2.288 -14.255 1.00 0.00 O ATOM 890 CB TRP A 61 3.306 -3.419 -12.504 1.00 0.00 C ATOM 891 CG TRP A 61 3.760 -3.945 -11.175 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.978 -4.505 -10.206 1.00 0.00 C ATOM 893 CD2 TRP A 61 5.099 -3.957 -10.670 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.751 -4.864 -9.128 1.00 0.00 N ATOM 895 CE2 TRP A 61 5.056 -4.540 -9.389 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.331 -3.534 -11.177 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.197 -4.708 -8.609 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.463 -3.702 -10.401 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.390 -4.285 -9.129 1.00 0.00 C ATOM 0 H TRP A 61 0.932 -2.851 -11.474 1.00 0.00 H new ATOM 0 HA TRP A 61 3.365 -1.304 -12.129 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.614 -4.132 -12.952 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.165 -3.347 -13.171 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.909 -4.645 -10.276 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.408 -5.301 -8.272 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.397 -3.084 -12.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.142 -5.156 -7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.420 -3.378 -10.782 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.293 -4.403 -8.548 1.00 0.00 H new ATOM 910 N GLN A 62 2.632 -0.639 -14.387 1.00 0.00 N ATOM 911 CA GLN A 62 2.176 -0.172 -15.691 1.00 0.00 C ATOM 912 C GLN A 62 3.341 -0.067 -16.669 1.00 0.00 C ATOM 913 O GLN A 62 4.181 0.825 -16.555 1.00 0.00 O ATOM 914 CB GLN A 62 1.483 1.185 -15.556 1.00 0.00 C ATOM 915 CG GLN A 62 -0.005 1.082 -15.261 1.00 0.00 C ATOM 916 CD GLN A 62 -0.782 2.288 -15.751 1.00 0.00 C ATOM 917 OE1 GLN A 62 -0.375 3.431 -15.540 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.908 2.039 -16.409 1.00 0.00 N ATOM 0 H GLN A 62 3.418 -0.115 -14.002 1.00 0.00 H new ATOM 0 HA GLN A 62 1.463 -0.899 -16.081 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.964 1.752 -14.759 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.624 1.749 -16.478 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.403 0.183 -15.731 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.152 0.972 -14.187 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.207 1.076 -16.561 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.474 2.811 -16.762 1.00 0.00 H new ATOM 927 N SER A 63 3.385 -0.984 -17.630 1.00 0.00 N ATOM 928 CA SER A 63 4.450 -0.997 -18.627 1.00 0.00 C ATOM 929 C SER A 63 3.877 -0.868 -20.035 1.00 0.00 C ATOM 930 O SER A 63 2.731 -1.239 -20.287 1.00 0.00 O ATOM 931 CB SER A 63 5.269 -2.284 -18.512 1.00 0.00 C ATOM 932 OG SER A 63 5.961 -2.556 -19.718 1.00 0.00 O ATOM 0 H SER A 63 2.696 -1.728 -17.740 1.00 0.00 H new ATOM 0 HA SER A 63 5.101 -0.143 -18.439 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.982 -2.193 -17.692 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.610 -3.118 -18.271 1.00 0.00 H new ATOM 0 HG SER A 63 6.478 -3.382 -19.619 1.00 0.00 H new ATOM 938 N ALA A 64 4.685 -0.340 -20.949 1.00 0.00 N ATOM 939 CA ALA A 64 4.261 -0.163 -22.332 1.00 0.00 C ATOM 940 C ALA A 64 3.878 -1.498 -22.963 1.00 0.00 C ATOM 941 O ALA A 64 4.741 -2.265 -23.388 1.00 0.00 O ATOM 942 CB ALA A 64 5.361 0.508 -23.140 1.00 0.00 C ATOM 0 H ALA A 64 5.637 -0.028 -20.756 1.00 0.00 H new ATOM 0 HA ALA A 64 3.380 0.478 -22.337 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.030 0.634 -24.171 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.585 1.484 -22.709 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.257 -0.112 -23.120 1.00 0.00 H new ATOM 948 N GLY A 65 2.577 -1.769 -23.021 1.00 0.00 N ATOM 949 CA GLY A 65 2.104 -3.012 -23.602 1.00 0.00 C ATOM 950 C GLY A 65 1.563 -3.969 -22.558 1.00 0.00 C ATOM 951 O GLY A 65 0.771 -4.858 -22.873 1.00 0.00 O ATOM 0 H GLY A 65 1.843 -1.150 -22.676 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.323 -2.795 -24.331 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.921 -3.491 -24.142 1.00 0.00 H new ATOM 955 N ILE A 66 1.993 -3.791 -21.314 1.00 0.00 N ATOM 956 CA ILE A 66 1.548 -4.647 -20.222 1.00 0.00 C ATOM 957 C ILE A 66 1.201 -3.825 -18.985 1.00 0.00 C ATOM 958 O ILE A 66 2.058 -3.147 -18.418 1.00 0.00 O ATOM 959 CB ILE A 66 2.620 -5.687 -19.849 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.778 -6.714 -20.972 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.258 -6.376 -18.542 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.557 -7.584 -21.172 1.00 0.00 C ATOM 0 H ILE A 66 2.650 -3.061 -21.037 1.00 0.00 H new ATOM 0 HA ILE A 66 0.656 -5.166 -20.572 1.00 0.00 H new ATOM 0 HB ILE A 66 3.572 -5.173 -19.715 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.998 -6.191 -21.903 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.636 -7.350 -20.753 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.026 -7.108 -18.292 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.191 -5.634 -17.746 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.297 -6.880 -18.650 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.741 -8.288 -21.984 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.348 -8.134 -20.255 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.701 -6.957 -21.422 1.00 0.00 H new ATOM 974 N SER A 67 -0.060 -3.891 -18.571 1.00 0.00 N ATOM 975 CA SER A 67 -0.521 -3.152 -17.402 1.00 0.00 C ATOM 976 C SER A 67 -1.279 -4.066 -16.445 1.00 0.00 C ATOM 977 O SER A 67 -2.376 -4.533 -16.751 1.00 0.00 O ATOM 978 CB SER A 67 -1.417 -1.988 -17.830 1.00 0.00 C ATOM 979 OG SER A 67 -2.547 -2.451 -18.549 1.00 0.00 O ATOM 0 H SER A 67 -0.781 -4.449 -19.028 1.00 0.00 H new ATOM 0 HA SER A 67 0.353 -2.758 -16.884 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.744 -1.434 -16.950 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.847 -1.295 -18.449 1.00 0.00 H new ATOM 0 HG SER A 67 -2.809 -3.333 -18.213 1.00 0.00 H new ATOM 985 N LYS A 68 -0.685 -4.318 -15.283 1.00 0.00 N ATOM 986 CA LYS A 68 -1.302 -5.176 -14.278 1.00 0.00 C ATOM 987 C LYS A 68 -1.459 -4.435 -12.954 1.00 0.00 C ATOM 988 O LYS A 68 -0.785 -3.435 -12.708 1.00 0.00 O ATOM 989 CB LYS A 68 -0.463 -6.439 -14.072 1.00 0.00 C ATOM 990 CG LYS A 68 -0.245 -7.239 -15.345 1.00 0.00 C ATOM 991 CD LYS A 68 -0.086 -8.722 -15.051 1.00 0.00 C ATOM 992 CE LYS A 68 1.362 -9.078 -14.750 1.00 0.00 C ATOM 993 NZ LYS A 68 1.686 -8.910 -13.307 1.00 0.00 N ATOM 0 H LYS A 68 0.223 -3.940 -15.014 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.292 -5.460 -14.635 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.506 -6.158 -13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.952 -7.074 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.088 -7.089 -16.019 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.643 -6.872 -15.859 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.713 -8.995 -14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.435 -9.303 -15.905 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.552 -10.109 -15.047 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.022 -8.448 -15.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.643 -9.274 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.644 -7.901 -13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.998 -9.438 -12.733 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.351 -4.935 -12.104 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.595 -4.320 -10.805 1.00 0.00 C ATOM 1009 C GLU A 69 -2.522 -5.358 -9.689 1.00 0.00 C ATOM 1010 O GLU A 69 -2.958 -6.498 -9.857 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.962 -3.633 -10.789 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.534 -3.447 -9.393 1.00 0.00 C ATOM 1013 CD GLU A 69 -5.939 -2.878 -9.410 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -6.077 -1.640 -9.492 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -6.901 -3.672 -9.341 1.00 0.00 O ATOM 0 H GLU A 69 -2.916 -5.763 -12.292 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.820 -3.573 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.875 -2.659 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.661 -4.221 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.541 -4.407 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.884 -2.783 -8.823 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.968 -4.957 -8.550 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.837 -5.852 -7.406 1.00 0.00 C ATOM 1024 C LEU A 70 -2.161 -5.124 -6.105 1.00 0.00 C ATOM 1025 O LEU A 70 -2.099 -3.896 -6.036 1.00 0.00 O ATOM 1026 CB LEU A 70 -0.421 -6.426 -7.342 1.00 0.00 C ATOM 1027 CG LEU A 70 -0.021 -7.355 -8.489 1.00 0.00 C ATOM 1028 CD1 LEU A 70 1.478 -7.611 -8.471 1.00 0.00 C ATOM 1029 CD2 LEU A 70 -0.789 -8.666 -8.405 1.00 0.00 C ATOM 0 H LEU A 70 -1.602 -4.018 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.548 -6.668 -7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.285 -5.596 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.314 -6.972 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.274 -6.868 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.744 -8.274 -9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.010 -6.666 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.756 -8.077 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.492 -9.315 -9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.567 -9.157 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.859 -8.466 -8.468 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.506 -5.889 -5.076 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.839 -5.317 -3.775 1.00 0.00 C ATOM 1043 C LEU A 71 -2.158 -6.091 -2.650 1.00 0.00 C ATOM 1044 O LEU A 71 -2.192 -7.320 -2.622 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.354 -5.320 -3.567 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.915 -4.189 -2.704 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.303 -4.226 -1.312 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.665 -2.840 -3.363 1.00 0.00 C ATOM 0 H LEU A 71 -2.563 -6.907 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.478 -4.289 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.835 -5.277 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.637 -6.270 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.992 -4.330 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.714 -3.414 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.534 -5.180 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.222 -4.110 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.071 -2.047 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.593 -2.690 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.152 -2.815 -4.338 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.543 -5.361 -1.725 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.856 -5.980 -0.597 1.00 0.00 C ATOM 1062 C GLU A 72 -1.689 -5.863 0.677 1.00 0.00 C ATOM 1063 O GLU A 72 -2.602 -5.044 0.760 1.00 0.00 O ATOM 1064 CB GLU A 72 0.513 -5.329 -0.386 1.00 0.00 C ATOM 1065 CG GLU A 72 1.496 -6.211 0.365 1.00 0.00 C ATOM 1066 CD GLU A 72 1.324 -6.127 1.869 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.585 -5.234 2.333 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.930 -6.954 2.582 1.00 0.00 O ATOM 0 H GLU A 72 -1.506 -4.342 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.717 -7.037 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.937 -5.071 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.382 -4.396 0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.368 -7.245 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.513 -5.920 0.103 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.365 -6.691 1.666 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.083 -6.682 2.935 1.00 0.00 C ATOM 1077 C GLU A 73 -1.111 -6.730 4.110 1.00 0.00 C ATOM 1078 O GLU A 73 -0.270 -7.624 4.199 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.048 -7.867 3.008 1.00 0.00 C ATOM 1080 CG GLU A 73 -3.979 -7.969 1.811 1.00 0.00 C ATOM 1081 CD GLU A 73 -4.394 -9.397 1.515 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -3.588 -10.137 0.913 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.525 -9.774 1.886 1.00 0.00 O ATOM 0 H GLU A 73 -0.611 -7.376 1.613 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.653 -5.755 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.472 -8.789 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.645 -7.783 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.869 -7.367 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.485 -7.549 0.935 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.234 -5.760 5.011 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.368 -5.691 6.182 1.00 0.00 C ATOM 1092 C VAL A 74 -1.142 -5.232 7.412 1.00 0.00 C ATOM 1093 O VAL A 74 -2.103 -4.470 7.306 1.00 0.00 O ATOM 1094 CB VAL A 74 0.816 -4.734 5.948 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.992 -5.479 5.334 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.394 -3.569 5.066 1.00 0.00 C ATOM 0 H VAL A 74 -1.925 -5.012 4.952 1.00 0.00 H new ATOM 0 HA VAL A 74 0.015 -6.697 6.352 1.00 0.00 H new ATOM 0 HB VAL A 74 1.133 -4.334 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.819 -4.787 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.309 -6.276 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.691 -5.909 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.243 -2.903 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.050 -3.947 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.414 -3.020 5.550 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.718 -5.700 8.582 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.382 -5.327 9.817 1.00 0.00 C ATOM 1108 C GLY A 75 -0.762 -4.104 10.462 1.00 0.00 C ATOM 1109 O GLY A 75 -0.019 -3.364 9.818 1.00 0.00 O ATOM 0 H GLY A 75 0.075 -6.332 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.435 -5.133 9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.340 -6.163 10.515 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.069 -3.890 11.737 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.538 -2.746 12.469 1.00 0.00 C ATOM 1115 C GLN A 76 0.934 -2.953 12.810 1.00 0.00 C ATOM 1116 O GLN A 76 1.743 -2.034 12.695 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.342 -2.514 13.749 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.345 -3.708 14.690 1.00 0.00 C ATOM 1119 CD GLN A 76 -2.184 -3.472 15.931 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -2.367 -2.333 16.363 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -2.700 -4.549 16.511 1.00 0.00 N ATOM 0 H GLN A 76 -1.682 -4.493 12.285 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.624 -1.867 11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.934 -1.650 14.273 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.370 -2.269 13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.724 -4.582 14.161 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.321 -3.935 14.986 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.523 -5.474 16.119 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.274 -4.452 17.349 1.00 0.00 H new ATOM 1130 N ASN A 77 1.274 -4.168 13.229 1.00 0.00 N ATOM 1131 CA ASN A 77 2.649 -4.496 13.588 1.00 0.00 C ATOM 1132 C ASN A 77 3.561 -4.423 12.367 1.00 0.00 C ATOM 1133 O ASN A 77 4.690 -3.940 12.451 1.00 0.00 O ATOM 1134 CB ASN A 77 2.717 -5.893 14.207 1.00 0.00 C ATOM 1135 CG ASN A 77 1.502 -6.208 15.059 1.00 0.00 C ATOM 1136 OD1 ASN A 77 1.313 -5.628 16.128 1.00 0.00 O ATOM 1137 ND2 ASN A 77 0.672 -7.131 14.587 1.00 0.00 N ATOM 0 H ASN A 77 0.616 -4.941 13.328 1.00 0.00 H new ATOM 0 HA ASN A 77 2.992 -3.765 14.320 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.803 -6.635 13.413 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.616 -5.973 14.818 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.162 -7.385 15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.869 -7.586 13.696 1.00 0.00 H new ATOM 1144 N GLY A 78 3.063 -4.906 11.233 1.00 0.00 N ATOM 1145 CA GLY A 78 3.846 -4.886 10.011 1.00 0.00 C ATOM 1146 C GLY A 78 4.160 -3.477 9.547 1.00 0.00 C ATOM 1147 O GLY A 78 3.523 -2.962 8.629 1.00 0.00 O ATOM 0 H GLY A 78 2.132 -5.311 11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.778 -5.429 10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.302 -5.411 9.226 1.00 0.00 H new ATOM 1151 N SER A 79 5.145 -2.852 10.184 1.00 0.00 N ATOM 1152 CA SER A 79 5.539 -1.492 9.835 1.00 0.00 C ATOM 1153 C SER A 79 6.280 -1.467 8.501 1.00 0.00 C ATOM 1154 O SER A 79 6.139 -0.528 7.718 1.00 0.00 O ATOM 1155 CB SER A 79 6.422 -0.897 10.933 1.00 0.00 C ATOM 1156 OG SER A 79 5.640 -0.428 12.018 1.00 0.00 O ATOM 0 H SER A 79 5.685 -3.266 10.944 1.00 0.00 H new ATOM 0 HA SER A 79 4.635 -0.891 9.740 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.125 -1.651 11.287 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.012 -0.077 10.525 1.00 0.00 H new ATOM 0 HG SER A 79 6.228 -0.054 12.707 1.00 0.00 H new ATOM 1162 N ARG A 80 7.071 -2.506 8.251 1.00 0.00 N ATOM 1163 CA ARG A 80 7.835 -2.603 7.013 1.00 0.00 C ATOM 1164 C ARG A 80 7.190 -3.597 6.052 1.00 0.00 C ATOM 1165 O ARG A 80 6.781 -4.687 6.453 1.00 0.00 O ATOM 1166 CB ARG A 80 9.275 -3.026 7.311 1.00 0.00 C ATOM 1167 CG ARG A 80 10.143 -3.147 6.069 1.00 0.00 C ATOM 1168 CD ARG A 80 11.611 -3.311 6.429 1.00 0.00 C ATOM 1169 NE ARG A 80 12.185 -2.078 6.959 1.00 0.00 N ATOM 1170 CZ ARG A 80 13.304 -2.036 7.674 1.00 0.00 C ATOM 1171 NH1 ARG A 80 13.966 -3.154 7.942 1.00 0.00 N ATOM 1172 NH2 ARG A 80 13.764 -0.875 8.122 1.00 0.00 N ATOM 0 H ARG A 80 7.199 -3.292 8.889 1.00 0.00 H new ATOM 0 HA ARG A 80 7.841 -1.621 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.725 -2.301 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.263 -3.984 7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.815 -4.001 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.017 -2.260 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.717 -4.106 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 80 12.169 -3.620 5.545 1.00 0.00 H new ATOM 0 HE ARG A 80 11.700 -1.201 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 80 13.616 -4.049 7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.825 -3.119 8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.258 -0.013 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.623 -0.844 8.671 1.00 0.00 H new ATOM 1186 N ALA A 81 7.101 -3.213 4.783 1.00 0.00 N ATOM 1187 CA ALA A 81 6.508 -4.071 3.765 1.00 0.00 C ATOM 1188 C ALA A 81 7.473 -4.298 2.607 1.00 0.00 C ATOM 1189 O ALA A 81 8.223 -3.399 2.226 1.00 0.00 O ATOM 1190 CB ALA A 81 5.207 -3.466 3.259 1.00 0.00 C ATOM 0 H ALA A 81 7.432 -2.313 4.435 1.00 0.00 H new ATOM 0 HA ALA A 81 6.295 -5.038 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.774 -4.117 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.507 -3.362 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.406 -2.485 2.826 1.00 0.00 H new ATOM 1196 N ARG A 82 7.451 -5.506 2.052 1.00 0.00 N ATOM 1197 CA ARG A 82 8.326 -5.851 0.939 1.00 0.00 C ATOM 1198 C ARG A 82 7.531 -6.476 -0.204 1.00 0.00 C ATOM 1199 O ARG A 82 6.657 -7.313 0.020 1.00 0.00 O ATOM 1200 CB ARG A 82 9.418 -6.817 1.402 1.00 0.00 C ATOM 1201 CG ARG A 82 10.207 -7.437 0.260 1.00 0.00 C ATOM 1202 CD ARG A 82 11.199 -8.473 0.766 1.00 0.00 C ATOM 1203 NE ARG A 82 11.466 -9.507 -0.229 1.00 0.00 N ATOM 1204 CZ ARG A 82 10.616 -10.486 -0.519 1.00 0.00 C ATOM 1205 NH1 ARG A 82 9.450 -10.562 0.108 1.00 0.00 N ATOM 1206 NH2 ARG A 82 10.930 -11.390 -1.438 1.00 0.00 N ATOM 0 H ARG A 82 6.837 -6.262 2.355 1.00 0.00 H new ATOM 0 HA ARG A 82 8.791 -4.934 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.105 -6.286 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.962 -7.613 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.521 -7.904 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.740 -6.656 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.133 -7.979 1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.810 -8.935 1.673 1.00 0.00 H new ATOM 0 HE ARG A 82 12.354 -9.476 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.205 -9.868 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.799 -11.314 -0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.825 -11.334 -1.923 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.276 -12.141 -1.659 1.00 0.00 H new ATOM 1220 N ILE A 83 7.841 -6.062 -1.428 1.00 0.00 N ATOM 1221 CA ILE A 83 7.156 -6.581 -2.606 1.00 0.00 C ATOM 1222 C ILE A 83 8.135 -7.265 -3.554 1.00 0.00 C ATOM 1223 O ILE A 83 9.280 -6.837 -3.695 1.00 0.00 O ATOM 1224 CB ILE A 83 6.418 -5.464 -3.366 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.639 -4.580 -2.389 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.484 -6.060 -4.408 1.00 0.00 C ATOM 1227 CD1 ILE A 83 4.822 -3.503 -3.067 1.00 0.00 C ATOM 0 H ILE A 83 8.562 -5.369 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 83 6.427 -7.310 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 83 7.155 -4.846 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.975 -5.208 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.340 -4.112 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.970 -5.258 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.062 -6.651 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.751 -6.699 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.297 -2.916 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.482 -2.852 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.097 -3.964 -3.737 1.00 0.00 H new ATOM 1239 N SER A 84 7.675 -8.329 -4.204 1.00 0.00 N ATOM 1240 CA SER A 84 8.510 -9.074 -5.139 1.00 0.00 C ATOM 1241 C SER A 84 8.338 -8.548 -6.560 1.00 0.00 C ATOM 1242 O SER A 84 7.318 -8.791 -7.205 1.00 0.00 O ATOM 1243 CB SER A 84 8.165 -10.564 -5.089 1.00 0.00 C ATOM 1244 OG SER A 84 8.935 -11.234 -4.106 1.00 0.00 O ATOM 0 H SER A 84 6.728 -8.695 -4.100 1.00 0.00 H new ATOM 0 HA SER A 84 9.551 -8.939 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.104 -10.688 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.344 -11.015 -6.065 1.00 0.00 H new ATOM 0 HG SER A 84 8.694 -12.184 -4.093 1.00 0.00 H new ATOM 1250 N VAL A 85 9.343 -7.824 -7.042 1.00 0.00 N ATOM 1251 CA VAL A 85 9.305 -7.263 -8.387 1.00 0.00 C ATOM 1252 C VAL A 85 8.616 -8.213 -9.360 1.00 0.00 C ATOM 1253 O VAL A 85 9.181 -9.235 -9.749 1.00 0.00 O ATOM 1254 CB VAL A 85 10.722 -6.953 -8.907 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.661 -6.377 -10.313 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.439 -6.000 -7.962 1.00 0.00 C ATOM 0 H VAL A 85 10.194 -7.612 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 85 8.737 -6.335 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 85 11.288 -7.884 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.671 -6.164 -10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.189 -7.097 -10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.079 -5.456 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.438 -5.792 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.877 -5.069 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.516 -6.456 -6.975 1.00 0.00 H new ATOM 1266 N GLN A 86 7.392 -7.869 -9.748 1.00 0.00 N ATOM 1267 CA GLN A 86 6.626 -8.692 -10.676 1.00 0.00 C ATOM 1268 C GLN A 86 6.994 -8.372 -12.121 1.00 0.00 C ATOM 1269 O GLN A 86 7.071 -9.264 -12.965 1.00 0.00 O ATOM 1270 CB GLN A 86 5.126 -8.479 -10.460 1.00 0.00 C ATOM 1271 CG GLN A 86 4.652 -8.859 -9.067 1.00 0.00 C ATOM 1272 CD GLN A 86 4.324 -10.333 -8.943 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.149 -11.028 -9.945 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.238 -10.820 -7.711 1.00 0.00 N ATOM 0 H GLN A 86 6.910 -7.027 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 86 6.870 -9.736 -10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.886 -7.432 -10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.575 -9.066 -11.195 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.424 -8.600 -8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.769 -8.272 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.391 -10.208 -6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.019 -11.806 -7.566 1.00 0.00 H new ATOM 1283 N VAL A 87 7.222 -7.092 -12.398 1.00 0.00 N ATOM 1284 CA VAL A 87 7.583 -6.653 -13.741 1.00 0.00 C ATOM 1285 C VAL A 87 8.833 -5.781 -13.716 1.00 0.00 C ATOM 1286 O VAL A 87 9.047 -5.009 -12.781 1.00 0.00 O ATOM 1287 CB VAL A 87 6.435 -5.867 -14.403 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.958 -5.033 -15.562 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.340 -6.815 -14.868 1.00 0.00 C ATOM 0 H VAL A 87 7.163 -6.341 -11.710 1.00 0.00 H new ATOM 0 HA VAL A 87 7.782 -7.552 -14.325 1.00 0.00 H new ATOM 0 HB VAL A 87 6.007 -5.190 -13.664 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.133 -4.485 -16.017 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.704 -4.328 -15.195 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.413 -5.688 -16.305 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.537 -6.243 -15.333 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.751 -7.518 -15.592 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.946 -7.364 -14.012 1.00 0.00 H new ATOM 1299 N HIS A 88 9.657 -5.908 -14.752 1.00 0.00 N ATOM 1300 CA HIS A 88 10.887 -5.130 -14.850 1.00 0.00 C ATOM 1301 C HIS A 88 10.783 -4.086 -15.958 1.00 0.00 C ATOM 1302 O HIS A 88 10.112 -4.303 -16.966 1.00 0.00 O ATOM 1303 CB HIS A 88 12.079 -6.052 -15.112 1.00 0.00 C ATOM 1304 CG HIS A 88 12.621 -6.697 -13.874 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.335 -7.998 -13.516 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.437 -6.213 -12.909 1.00 0.00 C ATOM 1307 CE1 HIS A 88 12.951 -8.286 -12.384 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.627 -7.220 -11.994 1.00 0.00 N ATOM 0 H HIS A 88 9.495 -6.542 -15.535 1.00 0.00 H new ATOM 0 HA HIS A 88 11.038 -4.614 -13.902 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.779 -6.829 -15.815 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.873 -5.479 -15.590 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.860 -5.220 -12.866 1.00 0.00 H new ATOM 0 HE1 HIS A 88 12.909 -9.232 -11.865 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.197 -7.155 -11.151 1.00 0.00 H new ATOM 1317 N ASN A 89 11.450 -2.954 -15.762 1.00 0.00 N ATOM 1318 CA ASN A 89 11.431 -1.876 -16.744 1.00 0.00 C ATOM 1319 C ASN A 89 10.026 -1.302 -16.895 1.00 0.00 C ATOM 1320 O ASN A 89 9.545 -1.094 -18.008 1.00 0.00 O ATOM 1321 CB ASN A 89 11.935 -2.382 -18.097 1.00 0.00 C ATOM 1322 CG ASN A 89 12.353 -1.251 -19.018 1.00 0.00 C ATOM 1323 OD1 ASN A 89 13.580 -1.321 -19.521 1.00 0.00 O flip ATOM 1324 ND2 ASN A 89 11.581 -0.327 -19.274 1.00 0.00 N flip ATOM 0 H ASN A 89 12.010 -2.759 -14.932 1.00 0.00 H new ATOM 0 HA ASN A 89 12.092 -1.084 -16.390 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.781 -3.050 -17.940 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.151 -2.968 -18.578 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.647 -0.315 -18.865 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.875 0.426 -19.896 1.00 0.00 H new ATOM 1331 N ALA A 90 9.372 -1.048 -15.766 1.00 0.00 N ATOM 1332 CA ALA A 90 8.023 -0.496 -15.772 1.00 0.00 C ATOM 1333 C ALA A 90 7.852 0.546 -14.671 1.00 0.00 C ATOM 1334 O ALA A 90 8.701 0.679 -13.790 1.00 0.00 O ATOM 1335 CB ALA A 90 6.997 -1.608 -15.614 1.00 0.00 C ATOM 0 H ALA A 90 9.755 -1.216 -14.836 1.00 0.00 H new ATOM 0 HA ALA A 90 7.862 -0.003 -16.731 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.994 -1.181 -15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.096 -2.314 -16.438 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.165 -2.126 -14.670 1.00 0.00 H new ATOM 1341 N THR A 91 6.746 1.283 -14.727 1.00 0.00 N ATOM 1342 CA THR A 91 6.464 2.313 -13.736 1.00 0.00 C ATOM 1343 C THR A 91 5.481 1.811 -12.684 1.00 0.00 C ATOM 1344 O THR A 91 4.325 1.520 -12.991 1.00 0.00 O ATOM 1345 CB THR A 91 5.891 3.583 -14.393 1.00 0.00 C ATOM 1346 OG1 THR A 91 5.031 3.226 -15.481 1.00 0.00 O ATOM 1347 CG2 THR A 91 7.009 4.483 -14.898 1.00 0.00 C ATOM 0 H THR A 91 6.032 1.185 -15.448 1.00 0.00 H new ATOM 0 HA THR A 91 7.412 2.557 -13.256 1.00 0.00 H new ATOM 0 HB THR A 91 5.319 4.128 -13.642 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.514 2.428 -15.241 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.580 5.373 -15.358 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.645 4.777 -14.063 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.604 3.945 -15.636 1.00 0.00 H new ATOM 1355 N CYS A 92 5.948 1.712 -11.445 1.00 0.00 N ATOM 1356 CA CYS A 92 5.108 1.244 -10.347 1.00 0.00 C ATOM 1357 C CYS A 92 4.710 2.401 -9.436 1.00 0.00 C ATOM 1358 O CYS A 92 5.507 3.303 -9.175 1.00 0.00 O ATOM 1359 CB CYS A 92 5.840 0.172 -9.539 1.00 0.00 C ATOM 1360 SG CYS A 92 4.918 -0.430 -8.105 1.00 0.00 S ATOM 0 H CYS A 92 6.903 1.949 -11.175 1.00 0.00 H new ATOM 0 HA CYS A 92 4.202 0.812 -10.773 1.00 0.00 H new ATOM 0 HB2 CYS A 92 6.064 -0.671 -10.193 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.794 0.576 -9.201 1.00 0.00 H new ATOM 0 HG CYS A 92 5.618 -1.335 -7.488 1.00 0.00 H new ATOM 1366 N THR A 93 3.471 2.370 -8.955 1.00 0.00 N ATOM 1367 CA THR A 93 2.966 3.416 -8.076 1.00 0.00 C ATOM 1368 C THR A 93 2.606 2.856 -6.705 1.00 0.00 C ATOM 1369 O THR A 93 1.689 2.044 -6.576 1.00 0.00 O ATOM 1370 CB THR A 93 1.727 4.106 -8.677 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.946 4.383 -10.065 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.416 5.399 -7.940 1.00 0.00 C ATOM 0 H THR A 93 2.799 1.631 -9.160 1.00 0.00 H new ATOM 0 HA THR A 93 3.765 4.150 -7.968 1.00 0.00 H new ATOM 0 HB THR A 93 0.876 3.433 -8.571 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.153 4.820 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.537 5.868 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.221 5.181 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.267 6.076 -8.018 1.00 0.00 H new ATOM 1380 N VAL A 94 3.333 3.294 -5.682 1.00 0.00 N ATOM 1381 CA VAL A 94 3.088 2.837 -4.319 1.00 0.00 C ATOM 1382 C VAL A 94 2.177 3.803 -3.570 1.00 0.00 C ATOM 1383 O VAL A 94 2.239 5.015 -3.774 1.00 0.00 O ATOM 1384 CB VAL A 94 4.405 2.679 -3.535 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.172 1.900 -2.250 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.459 2.001 -4.396 1.00 0.00 C ATOM 0 H VAL A 94 4.096 3.965 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 94 2.599 1.866 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 94 4.770 3.671 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.113 1.799 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.452 2.432 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.783 0.910 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.383 1.898 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.105 1.015 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.646 2.604 -5.284 1.00 0.00 H new ATOM 1396 N ARG A 95 1.331 3.258 -2.703 1.00 0.00 N ATOM 1397 CA ARG A 95 0.405 4.071 -1.924 1.00 0.00 C ATOM 1398 C ARG A 95 -0.015 3.346 -0.648 1.00 0.00 C ATOM 1399 O ARG A 95 -0.542 2.235 -0.699 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.831 4.415 -2.758 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.632 5.610 -3.676 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.954 6.102 -4.244 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.709 6.888 -3.272 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.779 7.611 -3.583 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -4.218 7.647 -4.833 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.412 8.299 -2.642 1.00 0.00 N ATOM 0 H ARG A 95 1.267 2.256 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 95 0.916 4.993 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.107 3.548 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.666 4.617 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.149 6.417 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.037 5.336 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.765 6.707 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.552 5.248 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.398 6.881 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.734 7.119 -5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.040 8.203 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.077 8.273 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.234 8.854 -2.882 1.00 0.00 H new ATOM 1420 N ILE A 96 0.223 3.983 0.493 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.131 3.400 1.781 1.00 0.00 C ATOM 1422 C ILE A 96 -1.249 4.189 2.454 1.00 0.00 C ATOM 1423 O ILE A 96 -1.340 5.407 2.304 1.00 0.00 O ATOM 1424 CB ILE A 96 1.083 3.344 2.727 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.302 2.777 1.995 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.760 2.507 3.955 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.499 2.560 2.893 1.00 0.00 C ATOM 0 H ILE A 96 0.660 4.903 0.552 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.474 2.385 1.583 1.00 0.00 H new ATOM 0 HB ILE A 96 1.317 4.357 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.029 1.829 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.581 3.457 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.628 2.477 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.083 2.950 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.503 1.493 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.325 2.157 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.798 3.510 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.238 1.857 3.684 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.098 3.486 3.197 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.208 4.121 3.896 1.00 0.00 C ATOM 1441 C ALA A 97 -3.402 3.515 5.282 1.00 0.00 C ATOM 1442 O ALA A 97 -2.854 2.457 5.590 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.486 3.997 3.080 1.00 0.00 C ATOM 0 H ALA A 97 -2.038 2.477 3.330 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.970 5.178 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.307 4.476 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.349 4.483 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.719 2.943 2.926 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.185 4.194 6.115 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.452 3.722 7.468 1.00 0.00 C ATOM 1451 C ALA A 98 -5.728 2.889 7.516 1.00 0.00 C ATOM 1452 O ALA A 98 -6.747 3.261 6.934 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.550 4.898 8.428 1.00 0.00 C ATOM 0 H ALA A 98 -4.645 5.072 5.876 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.622 3.086 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.750 4.530 9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.611 5.451 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.360 5.557 8.115 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.666 1.759 8.214 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.818 0.873 8.339 1.00 0.00 C ATOM 1461 C VAL A 99 -7.261 0.751 9.792 1.00 0.00 C ATOM 1462 O VAL A 99 -6.437 0.607 10.695 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.508 -0.531 7.788 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.613 -1.507 8.162 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.318 -0.481 6.279 1.00 0.00 C ATOM 0 H VAL A 99 -4.830 1.436 8.701 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.623 1.315 7.753 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.579 -0.882 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.377 -2.494 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.696 -1.564 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.559 -1.164 7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.100 -1.482 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.229 -0.110 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.489 0.185 6.039 1.00 0.00 H new ATOM 1475 N THR A 100 -8.571 0.807 10.012 1.00 0.00 N ATOM 1476 CA THR A 100 -9.126 0.703 11.356 1.00 0.00 C ATOM 1477 C THR A 100 -10.196 -0.380 11.427 1.00 0.00 C ATOM 1478 O THR A 100 -10.496 -1.036 10.429 1.00 0.00 O ATOM 1479 CB THR A 100 -9.734 2.041 11.818 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.749 2.461 10.899 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.662 3.115 11.924 1.00 0.00 C ATOM 0 H THR A 100 -9.268 0.924 9.276 1.00 0.00 H new ATOM 0 HA THR A 100 -8.302 0.439 12.019 1.00 0.00 H new ATOM 0 HB THR A 100 -10.176 1.893 12.804 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.389 2.451 9.987 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.115 4.050 12.252 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.907 2.805 12.646 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.195 3.260 10.950 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.770 -0.562 12.611 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.807 -1.567 12.812 1.00 0.00 C ATOM 1491 C ARG A 101 -13.176 -1.022 12.413 1.00 0.00 C ATOM 1492 O ARG A 101 -14.208 -1.533 12.845 1.00 0.00 O ATOM 1493 CB ARG A 101 -11.833 -2.020 14.273 1.00 0.00 C ATOM 1494 CG ARG A 101 -10.934 -3.212 14.556 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.301 -3.888 15.868 1.00 0.00 C ATOM 1496 NE ARG A 101 -10.667 -3.241 17.013 1.00 0.00 N ATOM 1497 CZ ARG A 101 -10.966 -3.524 18.276 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -11.884 -4.439 18.554 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -10.346 -2.892 19.264 1.00 0.00 N ATOM 0 H ARG A 101 -10.535 -0.026 13.446 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.576 -2.423 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.530 -1.188 14.908 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.857 -2.274 14.548 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.014 -3.931 13.740 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.895 -2.885 14.592 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.383 -3.870 15.995 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.002 -4.936 15.832 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.955 -2.533 16.833 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.363 -4.928 17.797 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.112 -4.654 19.525 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.639 -2.188 19.054 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.577 -3.110 20.233 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.175 0.019 11.586 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.422 0.616 11.144 1.00 0.00 C ATOM 1515 C GLY A 102 -14.445 0.869 9.649 1.00 0.00 C ATOM 1516 O GLY A 102 -15.425 0.556 8.975 1.00 0.00 O ATOM 0 H GLY A 102 -12.333 0.459 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.250 -0.040 11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.578 1.557 11.671 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.362 1.439 9.130 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.284 1.727 7.709 1.00 0.00 C ATOM 1522 C GLY A 103 -11.883 2.105 7.271 1.00 0.00 C ATOM 1523 O GLY A 103 -11.086 2.596 8.070 1.00 0.00 O ATOM 0 H GLY A 103 -12.537 1.707 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.615 0.854 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.969 2.540 7.468 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.581 1.876 5.997 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.267 2.196 5.453 1.00 0.00 C ATOM 1529 C VAL A 104 -10.187 3.660 5.035 1.00 0.00 C ATOM 1530 O VAL A 104 -11.080 4.175 4.364 1.00 0.00 O ATOM 1531 CB VAL A 104 -9.929 1.308 4.241 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -10.931 1.533 3.118 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.511 1.577 3.762 1.00 0.00 C ATOM 0 H VAL A 104 -12.229 1.470 5.322 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.542 2.007 6.245 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.992 0.264 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.676 0.897 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.933 1.285 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.903 2.578 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.290 0.941 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.418 2.623 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.808 1.360 4.566 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.108 4.326 5.435 1.00 0.00 N ATOM 1544 CA GLY A 105 -8.930 5.725 5.093 1.00 0.00 C ATOM 1545 C GLY A 105 -8.324 5.912 3.716 1.00 0.00 C ATOM 1546 O GLY A 105 -7.968 4.950 3.035 1.00 0.00 O ATOM 0 H GLY A 105 -8.354 3.921 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.894 6.232 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.289 6.199 5.836 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.200 7.177 3.287 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.633 7.516 1.978 1.00 0.00 C ATOM 1552 C PRO A 106 -6.135 7.241 1.906 1.00 0.00 C ATOM 1553 O PRO A 106 -5.416 7.402 2.892 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.908 9.017 1.851 1.00 0.00 C ATOM 1555 CG PRO A 106 -8.006 9.504 3.255 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.602 8.373 4.046 1.00 0.00 C ATOM 0 HA PRO A 106 -8.070 6.919 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.107 9.522 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.830 9.205 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.024 9.776 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.631 10.395 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.218 8.350 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.686 8.459 4.116 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.670 6.826 0.732 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.257 6.528 0.532 1.00 0.00 C ATOM 1566 C PHE A 107 -3.441 7.813 0.419 1.00 0.00 C ATOM 1567 O PHE A 107 -3.969 8.868 0.070 1.00 0.00 O ATOM 1568 CB PHE A 107 -4.066 5.678 -0.727 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.576 4.273 -0.583 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.923 4.029 -0.368 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.708 3.196 -0.664 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.394 2.736 -0.235 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -4.174 1.901 -0.532 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.519 1.671 -0.318 1.00 0.00 C ATOM 0 H PHE A 107 -6.251 6.689 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.904 5.968 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.577 6.158 -1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.006 5.648 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.612 4.858 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.655 3.370 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.446 2.559 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.487 1.070 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.886 0.660 -0.216 1.00 0.00 H new ATOM 1584 N SER A 108 -2.149 7.715 0.719 1.00 0.00 N ATOM 1585 CA SER A 108 -1.260 8.869 0.656 1.00 0.00 C ATOM 1586 C SER A 108 -0.939 9.229 -0.791 1.00 0.00 C ATOM 1587 O SER A 108 -1.457 8.616 -1.725 1.00 0.00 O ATOM 1588 CB SER A 108 0.033 8.584 1.422 1.00 0.00 C ATOM 1589 OG SER A 108 0.713 7.466 0.878 1.00 0.00 O ATOM 0 H SER A 108 -1.695 6.848 1.008 1.00 0.00 H new ATOM 0 HA SER A 108 -1.769 9.715 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.681 9.460 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.196 8.399 2.472 1.00 0.00 H new ATOM 0 HG SER A 108 1.678 7.572 1.013 1.00 0.00 H new ATOM 1595 N ASP A 109 -0.082 10.228 -0.969 1.00 0.00 N ATOM 1596 CA ASP A 109 0.311 10.671 -2.302 1.00 0.00 C ATOM 1597 C ASP A 109 0.950 9.531 -3.087 1.00 0.00 C ATOM 1598 O ASP A 109 1.759 8.762 -2.566 1.00 0.00 O ATOM 1599 CB ASP A 109 1.282 11.849 -2.205 1.00 0.00 C ATOM 1600 CG ASP A 109 2.103 12.026 -3.467 1.00 0.00 C ATOM 1601 OD1 ASP A 109 1.593 12.642 -4.427 1.00 0.00 O ATOM 1602 OD2 ASP A 109 3.257 11.549 -3.496 1.00 0.00 O ATOM 0 H ASP A 109 0.354 10.747 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.586 10.993 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.722 12.763 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.951 11.696 -1.358 1.00 0.00 H new ATOM 1607 N PRO A 110 0.580 9.416 -4.371 1.00 0.00 N ATOM 1608 CA PRO A 110 1.106 8.371 -5.256 1.00 0.00 C ATOM 1609 C PRO A 110 2.576 8.586 -5.597 1.00 0.00 C ATOM 1610 O PRO A 110 2.977 9.676 -6.005 1.00 0.00 O ATOM 1611 CB PRO A 110 0.241 8.502 -6.512 1.00 0.00 C ATOM 1612 CG PRO A 110 -0.224 9.918 -6.506 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.379 10.296 -5.059 1.00 0.00 C ATOM 0 HA PRO A 110 1.063 7.385 -4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.813 8.277 -7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.600 7.809 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.496 10.567 -7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.169 10.021 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.150 11.348 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.398 10.132 -4.708 1.00 0.00 H new ATOM 1621 N VAL A 111 3.378 7.539 -5.427 1.00 0.00 N ATOM 1622 CA VAL A 111 4.804 7.613 -5.718 1.00 0.00 C ATOM 1623 C VAL A 111 5.169 6.728 -6.905 1.00 0.00 C ATOM 1624 O VAL A 111 5.070 5.503 -6.834 1.00 0.00 O ATOM 1625 CB VAL A 111 5.648 7.193 -4.500 1.00 0.00 C ATOM 1626 CG1 VAL A 111 5.661 5.679 -4.355 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.064 7.738 -4.620 1.00 0.00 C ATOM 0 H VAL A 111 3.063 6.629 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 111 5.024 8.652 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 111 5.195 7.615 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.262 5.402 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.642 5.318 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.089 5.231 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.647 7.432 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.529 7.347 -5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.032 8.826 -4.670 1.00 0.00 H new ATOM 1637 N LYS A 112 5.593 7.356 -7.996 1.00 0.00 N ATOM 1638 CA LYS A 112 5.976 6.627 -9.199 1.00 0.00 C ATOM 1639 C LYS A 112 7.464 6.290 -9.181 1.00 0.00 C ATOM 1640 O LYS A 112 8.310 7.164 -9.372 1.00 0.00 O ATOM 1641 CB LYS A 112 5.644 7.450 -10.446 1.00 0.00 C ATOM 1642 CG LYS A 112 6.215 6.870 -11.728 1.00 0.00 C ATOM 1643 CD LYS A 112 5.738 7.637 -12.949 1.00 0.00 C ATOM 1644 CE LYS A 112 4.349 7.189 -13.381 1.00 0.00 C ATOM 1645 NZ LYS A 112 3.974 7.749 -14.709 1.00 0.00 N ATOM 0 H LYS A 112 5.680 8.369 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 112 5.411 5.695 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.561 7.526 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.025 8.463 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.304 6.893 -11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.922 5.824 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.725 8.704 -12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.440 7.490 -13.769 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.315 6.100 -13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.618 7.502 -12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.022 7.421 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.981 8.788 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.657 7.430 -15.426 1.00 0.00 H new ATOM 1659 N ILE A 113 7.774 5.019 -8.952 1.00 0.00 N ATOM 1660 CA ILE A 113 9.160 4.567 -8.912 1.00 0.00 C ATOM 1661 C ILE A 113 9.532 3.822 -10.189 1.00 0.00 C ATOM 1662 O ILE A 113 8.833 2.899 -10.609 1.00 0.00 O ATOM 1663 CB ILE A 113 9.418 3.649 -7.702 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.764 2.938 -7.852 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.291 2.637 -7.555 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.395 2.555 -6.532 1.00 0.00 C ATOM 0 H ILE A 113 7.085 4.284 -8.791 1.00 0.00 H new ATOM 0 HA ILE A 113 9.780 5.459 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 113 9.450 4.261 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.626 2.040 -8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.449 3.586 -8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.488 1.996 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.347 3.162 -7.407 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.230 2.027 -8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.346 2.055 -6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.565 3.452 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.729 1.882 -5.992 1.00 0.00 H new ATOM 1678 N PHE A 114 10.638 4.227 -10.803 1.00 0.00 N ATOM 1679 CA PHE A 114 11.105 3.597 -12.033 1.00 0.00 C ATOM 1680 C PHE A 114 11.792 2.267 -11.736 1.00 0.00 C ATOM 1681 O PHE A 114 12.846 2.229 -11.101 1.00 0.00 O ATOM 1682 CB PHE A 114 12.068 4.527 -12.774 1.00 0.00 C ATOM 1683 CG PHE A 114 12.898 3.828 -13.811 1.00 0.00 C ATOM 1684 CD1 PHE A 114 14.094 3.219 -13.466 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.484 3.779 -15.132 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.860 2.573 -14.418 1.00 0.00 C ATOM 1687 CE2 PHE A 114 13.246 3.135 -16.089 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.436 2.532 -15.731 1.00 0.00 C ATOM 0 H PHE A 114 11.228 4.989 -10.469 1.00 0.00 H new ATOM 0 HA PHE A 114 10.238 3.405 -12.665 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.496 5.322 -13.253 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.730 5.002 -12.050 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.432 3.250 -12.441 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.555 4.250 -15.418 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.789 2.101 -14.135 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.911 3.103 -17.115 1.00 0.00 H new ATOM 0 HZ PHE A 114 15.034 2.029 -16.477 1.00 0.00 H new ATOM 1698 N ILE A 115 11.186 1.179 -12.200 1.00 0.00 N ATOM 1699 CA ILE A 115 11.739 -0.152 -11.985 1.00 0.00 C ATOM 1700 C ILE A 115 12.824 -0.469 -13.009 1.00 0.00 C ATOM 1701 O ILE A 115 12.559 -0.637 -14.199 1.00 0.00 O ATOM 1702 CB ILE A 115 10.646 -1.235 -12.061 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.397 -0.783 -11.302 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.165 -2.551 -11.503 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.613 -0.643 -9.811 1.00 0.00 C ATOM 0 H ILE A 115 10.313 1.193 -12.727 1.00 0.00 H new ATOM 0 HA ILE A 115 12.174 -0.155 -10.985 1.00 0.00 H new ATOM 0 HB ILE A 115 10.378 -1.387 -13.106 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.064 0.174 -11.704 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.595 -1.500 -11.479 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.381 -3.306 -11.564 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.028 -2.877 -12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.458 -2.415 -10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.686 -0.320 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.916 -1.604 -9.396 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.393 0.096 -9.624 1.00 0.00 H new ATOM 1717 N PRO A 116 14.077 -0.553 -12.537 1.00 0.00 N ATOM 1718 CA PRO A 116 15.228 -0.852 -13.394 1.00 0.00 C ATOM 1719 C PRO A 116 15.216 -2.292 -13.898 1.00 0.00 C ATOM 1720 O PRO A 116 15.068 -3.231 -13.118 1.00 0.00 O ATOM 1721 CB PRO A 116 16.427 -0.618 -12.472 1.00 0.00 C ATOM 1722 CG PRO A 116 15.895 -0.831 -11.097 1.00 0.00 C ATOM 1723 CD PRO A 116 14.466 -0.364 -11.129 1.00 0.00 C ATOM 0 HA PRO A 116 15.238 -0.236 -14.293 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.238 -1.311 -12.694 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.827 0.389 -12.590 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.956 -1.882 -10.813 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.473 -0.269 -10.363 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.837 -0.948 -10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.377 0.679 -10.824 1.00 0.00 H new ATOM 1731 N ALA A 117 15.374 -2.456 -15.207 1.00 0.00 N ATOM 1732 CA ALA A 117 15.384 -3.781 -15.815 1.00 0.00 C ATOM 1733 C ALA A 117 16.316 -4.723 -15.061 1.00 0.00 C ATOM 1734 O ALA A 117 15.865 -5.618 -14.345 1.00 0.00 O ATOM 1735 CB ALA A 117 15.794 -3.688 -17.277 1.00 0.00 C ATOM 0 H ALA A 117 15.497 -1.688 -15.867 1.00 0.00 H new ATOM 0 HA ALA A 117 14.374 -4.188 -15.758 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.797 -4.685 -17.718 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.087 -3.056 -17.814 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.792 -3.257 -17.348 1.00 0.00 H new