USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 770 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 CYS SG : rot -94:sc= 0.0213 USER MOD Set 1.2: A 59 CYS SG : rot -84:sc= -0.806 USER MOD Set 1.3: A 101 HIS : no HD1:sc= -3.78 K(o=-9.2,f=-12!) USER MOD Set 1.4: A 102 CYS SG : rot 15:sc= -4.6! USER MOD Set 2.1: A 56 THR OG1 : rot 127:sc= 0.182 USER MOD Set 2.2: A 66 SER OG : rot 93:sc= 0.783 USER MOD Single : A 22 ASN : amide:sc= -4.14! C(o=-4.1!,f=-15!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -109:sc= -3.09 (180deg=-11.5!) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -0.548 (180deg=-0.728) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc=-0.00189 K(o=-0.0019,f=-3.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= -0.0602 (180deg=-1.64) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -110:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -1.34 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.955 USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0.986 (180deg=0.802) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 83 THR OG1 : rot -76:sc= 1.24 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= -0.0221 (180deg=-0.191) USER MOD Single : A 86 ASN : amide:sc= -3.61! C(o=-3.6!,f=-7.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -72:sc= 0.821 USER MOD Single : A 104 MET CE :methyl 158:sc= -0.168 (180deg=-0.688) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -168:sc= -0.217 (180deg=-0.636) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0555 X(o=-0.055,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.162 -13.067 -2.356 1.00 0.00 N ATOM 282 CA ASN A 22 -9.686 -12.016 -1.491 1.00 0.00 C ATOM 283 C ASN A 22 -8.628 -10.948 -1.232 1.00 0.00 C ATOM 284 O ASN A 22 -8.944 -9.764 -1.106 1.00 0.00 O ATOM 285 CB ASN A 22 -10.163 -12.610 -0.164 1.00 0.00 C ATOM 286 CG ASN A 22 -9.047 -12.713 0.857 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.425 -11.713 1.217 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.788 -13.927 1.330 1.00 0.00 N ATOM 0 HA ASN A 22 -10.531 -11.550 -1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.965 -11.993 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.582 -13.601 -0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.048 -14.058 2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.329 -14.728 1.003 1.00 0.00 H new ATOM 295 N VAL A 23 -7.371 -11.373 -1.156 1.00 0.00 N ATOM 296 CA VAL A 23 -6.267 -10.453 -0.914 1.00 0.00 C ATOM 297 C VAL A 23 -5.573 -10.071 -2.217 1.00 0.00 C ATOM 298 O VAL A 23 -5.109 -10.934 -2.961 1.00 0.00 O ATOM 299 CB VAL A 23 -5.229 -11.062 0.048 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.919 -12.499 -0.342 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.962 -10.221 0.066 1.00 0.00 C ATOM 0 H VAL A 23 -7.092 -12.349 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.694 -9.560 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.649 -11.066 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.184 -12.913 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.832 -13.093 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.518 -12.523 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.240 -10.666 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.536 -10.183 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.201 -9.210 0.397 1.00 0.00 H new ATOM 311 N GLY A 24 -5.507 -8.771 -2.488 1.00 0.00 N ATOM 312 CA GLY A 24 -4.869 -8.298 -3.702 1.00 0.00 C ATOM 313 C GLY A 24 -3.379 -8.080 -3.526 1.00 0.00 C ATOM 314 O GLY A 24 -2.879 -8.030 -2.402 1.00 0.00 O ATOM 0 H GLY A 24 -5.884 -8.037 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.036 -9.020 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.336 -7.364 -4.014 1.00 0.00 H new ATOM 318 N THR A 25 -2.666 -7.950 -4.641 1.00 0.00 N ATOM 319 CA THR A 25 -1.224 -7.739 -4.606 1.00 0.00 C ATOM 320 C THR A 25 -0.813 -6.597 -5.527 1.00 0.00 C ATOM 321 O THR A 25 -0.749 -6.760 -6.745 1.00 0.00 O ATOM 322 CB THR A 25 -0.460 -9.013 -5.014 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.914 -10.127 -4.237 1.00 0.00 O ATOM 324 CG2 THR A 25 1.038 -8.831 -4.821 1.00 0.00 C ATOM 0 H THR A 25 -3.064 -7.987 -5.579 1.00 0.00 H new ATOM 0 HA THR A 25 -0.967 -7.483 -3.578 1.00 0.00 H new ATOM 0 HB THR A 25 -0.654 -9.204 -6.070 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.425 -10.933 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.556 -9.743 -5.116 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.386 -8.001 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.247 -8.618 -3.773 1.00 0.00 H new ATOM 332 N GLY A 26 -0.534 -5.438 -4.937 1.00 0.00 N ATOM 333 CA GLY A 26 -0.132 -4.285 -5.721 1.00 0.00 C ATOM 334 C GLY A 26 1.328 -3.929 -5.521 1.00 0.00 C ATOM 335 O GLY A 26 1.717 -3.444 -4.457 1.00 0.00 O ATOM 0 H GLY A 26 -0.579 -5.278 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.312 -4.487 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.752 -3.431 -5.449 1.00 0.00 H new ATOM 339 N LEU A 27 2.139 -4.170 -6.545 1.00 0.00 N ATOM 340 CA LEU A 27 3.566 -3.873 -6.477 1.00 0.00 C ATOM 341 C LEU A 27 3.918 -2.685 -7.367 1.00 0.00 C ATOM 342 O LEU A 27 3.659 -2.700 -8.570 1.00 0.00 O ATOM 343 CB LEU A 27 4.382 -5.098 -6.895 1.00 0.00 C ATOM 344 CG LEU A 27 5.873 -4.859 -7.140 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.490 -4.100 -5.976 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.595 -6.180 -7.360 1.00 0.00 C ATOM 0 H LEU A 27 1.833 -4.570 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 27 3.810 -3.616 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.279 -5.860 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.945 -5.507 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 27 5.982 -4.254 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.551 -3.939 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.991 -3.137 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.371 -4.679 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.655 -5.991 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.478 -6.810 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.171 -6.687 -8.227 1.00 0.00 H new ATOM 358 N VAL A 28 4.512 -1.658 -6.767 1.00 0.00 N ATOM 359 CA VAL A 28 4.903 -0.463 -7.505 1.00 0.00 C ATOM 360 C VAL A 28 6.273 0.034 -7.059 1.00 0.00 C ATOM 361 O VAL A 28 6.464 0.407 -5.902 1.00 0.00 O ATOM 362 CB VAL A 28 3.874 0.669 -7.326 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.560 0.309 -8.001 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.661 0.965 -5.849 1.00 0.00 C ATOM 0 H VAL A 28 4.733 -1.630 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 28 4.946 -0.741 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 28 4.263 1.569 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.846 1.121 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.729 0.151 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.161 -0.604 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.931 1.767 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.293 0.070 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.606 1.271 -5.399 1.00 0.00 H new ATOM 374 N GLY A 29 7.226 0.038 -7.987 1.00 0.00 N ATOM 375 CA GLY A 29 8.568 0.492 -7.670 1.00 0.00 C ATOM 376 C GLY A 29 8.957 1.734 -8.447 1.00 0.00 C ATOM 377 O GLY A 29 8.273 2.124 -9.392 1.00 0.00 O ATOM 0 H GLY A 29 7.093 -0.265 -8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.636 0.699 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.279 -0.306 -7.886 1.00 0.00 H new ATOM 381 N ALA A 30 10.060 2.359 -8.046 1.00 0.00 N ATOM 382 CA ALA A 30 10.540 3.564 -8.711 1.00 0.00 C ATOM 383 C ALA A 30 11.608 3.231 -9.747 1.00 0.00 C ATOM 384 O ALA A 30 12.561 2.498 -9.478 1.00 0.00 O ATOM 385 CB ALA A 30 11.083 4.550 -7.688 1.00 0.00 C ATOM 0 H ALA A 30 10.637 2.050 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 30 9.699 4.023 -9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.438 5.445 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.292 4.821 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.908 4.092 -7.143 1.00 0.00 H new ATOM 391 N PRO A 31 11.449 3.779 -10.961 1.00 0.00 N ATOM 392 CA PRO A 31 12.390 3.554 -12.061 1.00 0.00 C ATOM 393 C PRO A 31 13.734 4.234 -11.823 1.00 0.00 C ATOM 394 O PRO A 31 14.786 3.603 -11.924 1.00 0.00 O ATOM 395 CB PRO A 31 11.682 4.177 -13.267 1.00 0.00 C ATOM 396 CG PRO A 31 10.775 5.204 -12.684 1.00 0.00 C ATOM 397 CD PRO A 31 10.337 4.662 -11.351 1.00 0.00 C ATOM 0 HA PRO A 31 12.625 2.497 -12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.396 4.626 -13.957 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.123 3.428 -13.829 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.290 6.158 -12.567 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.918 5.382 -13.334 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.183 5.459 -10.624 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.397 4.115 -11.428 1.00 0.00 H new ATOM 405 N ALA A 32 13.691 5.524 -11.505 1.00 0.00 N ATOM 406 CA ALA A 32 14.906 6.288 -11.250 1.00 0.00 C ATOM 407 C ALA A 32 15.572 5.843 -9.953 1.00 0.00 C ATOM 408 O ALA A 32 16.659 5.264 -9.968 1.00 0.00 O ATOM 409 CB ALA A 32 14.592 7.776 -11.200 1.00 0.00 C ATOM 0 H ALA A 32 12.828 6.061 -11.418 1.00 0.00 H new ATOM 0 HA ALA A 32 15.602 6.101 -12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.508 8.335 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.167 8.090 -12.153 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.875 7.970 -10.402 1.00 0.00 H new ATOM 415 N CYS A 33 14.915 6.116 -8.831 1.00 0.00 N ATOM 416 CA CYS A 33 15.444 5.745 -7.524 1.00 0.00 C ATOM 417 C CYS A 33 15.725 4.247 -7.457 1.00 0.00 C ATOM 418 O CYS A 33 16.701 3.814 -6.845 1.00 0.00 O ATOM 419 CB CYS A 33 14.461 6.141 -6.421 1.00 0.00 C ATOM 420 SG CYS A 33 15.215 6.287 -4.769 1.00 0.00 S ATOM 0 H CYS A 33 14.014 6.593 -8.801 1.00 0.00 H new ATOM 0 HA CYS A 33 16.382 6.280 -7.374 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.001 7.094 -6.684 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.661 5.402 -6.379 1.00 0.00 H new ATOM 0 HG CYS A 33 15.085 5.161 -4.132 1.00 0.00 H new ATOM 425 N GLY A 34 14.862 3.459 -8.091 1.00 0.00 N ATOM 426 CA GLY A 34 15.034 2.018 -8.091 1.00 0.00 C ATOM 427 C GLY A 34 14.553 1.377 -6.805 1.00 0.00 C ATOM 428 O GLY A 34 15.333 0.750 -6.087 1.00 0.00 O ATOM 0 H GLY A 34 14.047 3.793 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.489 1.590 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.087 1.781 -8.240 1.00 0.00 H new ATOM 432 N ASP A 35 13.267 1.534 -6.512 1.00 0.00 N ATOM 433 CA ASP A 35 12.683 0.966 -5.302 1.00 0.00 C ATOM 434 C ASP A 35 11.632 -0.084 -5.648 1.00 0.00 C ATOM 435 O ASP A 35 11.125 -0.124 -6.768 1.00 0.00 O ATOM 436 CB ASP A 35 12.059 2.068 -4.445 1.00 0.00 C ATOM 437 CG ASP A 35 13.000 3.237 -4.229 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.224 3.053 -4.400 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.513 4.335 -3.890 1.00 0.00 O ATOM 0 H ASP A 35 12.609 2.050 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 35 13.479 0.484 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.147 2.424 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.771 1.654 -3.479 1.00 0.00 H new ATOM 444 N VAL A 36 11.310 -0.934 -4.677 1.00 0.00 N ATOM 445 CA VAL A 36 10.319 -1.984 -4.878 1.00 0.00 C ATOM 446 C VAL A 36 9.355 -2.063 -3.700 1.00 0.00 C ATOM 447 O VAL A 36 9.652 -2.690 -2.683 1.00 0.00 O ATOM 448 CB VAL A 36 10.989 -3.358 -5.073 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.962 -4.398 -5.493 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.112 -3.262 -6.094 1.00 0.00 C ATOM 0 H VAL A 36 11.721 -0.915 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 36 9.764 -1.727 -5.780 1.00 0.00 H new ATOM 0 HB VAL A 36 11.419 -3.672 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.454 -5.362 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.196 -4.485 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.499 -4.094 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.574 -4.241 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.708 -2.926 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.860 -2.550 -5.746 1.00 0.00 H new ATOM 460 N MET A 37 8.200 -1.423 -3.844 1.00 0.00 N ATOM 461 CA MET A 37 7.190 -1.423 -2.791 1.00 0.00 C ATOM 462 C MET A 37 6.053 -2.382 -3.128 1.00 0.00 C ATOM 463 O MET A 37 5.197 -2.080 -3.959 1.00 0.00 O ATOM 464 CB MET A 37 6.638 -0.011 -2.586 1.00 0.00 C ATOM 465 CG MET A 37 6.034 0.211 -1.209 1.00 0.00 C ATOM 466 SD MET A 37 4.291 -0.244 -1.132 1.00 0.00 S ATOM 467 CE MET A 37 3.584 1.242 -0.426 1.00 0.00 C ATOM 0 H MET A 37 7.939 -0.898 -4.679 1.00 0.00 H new ATOM 0 HA MET A 37 7.663 -1.759 -1.868 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.440 0.710 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.879 0.187 -3.343 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.590 -0.372 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.144 1.260 -0.933 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.270 1.044 0.599 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.330 2.037 -0.430 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.721 1.551 -1.017 1.00 0.00 H new ATOM 477 N LYS A 38 6.051 -3.541 -2.477 1.00 0.00 N ATOM 478 CA LYS A 38 5.019 -4.545 -2.705 1.00 0.00 C ATOM 479 C LYS A 38 3.939 -4.470 -1.631 1.00 0.00 C ATOM 480 O LYS A 38 4.164 -4.854 -0.482 1.00 0.00 O ATOM 481 CB LYS A 38 5.637 -5.945 -2.726 1.00 0.00 C ATOM 482 CG LYS A 38 4.684 -7.024 -3.210 1.00 0.00 C ATOM 483 CD LYS A 38 5.426 -8.153 -3.904 1.00 0.00 C ATOM 484 CE LYS A 38 4.473 -9.061 -4.667 1.00 0.00 C ATOM 485 NZ LYS A 38 3.980 -8.422 -5.918 1.00 0.00 N ATOM 0 H LYS A 38 6.753 -3.808 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 38 4.558 -4.343 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.517 -5.935 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.978 -6.197 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.124 -7.422 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.958 -6.588 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.163 -7.737 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.974 -8.738 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.979 -9.995 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.625 -9.315 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.430 -9.113 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.376 -7.610 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.790 -8.096 -6.484 1.00 0.00 H new ATOM 499 N LEU A 39 2.766 -3.976 -2.011 1.00 0.00 N ATOM 500 CA LEU A 39 1.650 -3.852 -1.080 1.00 0.00 C ATOM 501 C LEU A 39 0.682 -5.021 -1.232 1.00 0.00 C ATOM 502 O LEU A 39 0.502 -5.551 -2.329 1.00 0.00 O ATOM 503 CB LEU A 39 0.914 -2.531 -1.308 1.00 0.00 C ATOM 504 CG LEU A 39 0.241 -1.917 -0.080 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.243 -1.108 0.728 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.937 -1.048 -0.496 1.00 0.00 C ATOM 0 H LEU A 39 2.563 -3.655 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 39 2.051 -3.866 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.624 -1.807 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.154 -2.689 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.134 -2.725 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.747 -0.678 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.054 -1.758 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.648 -0.307 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.404 -0.619 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.586 -0.246 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.666 -1.656 -1.032 1.00 0.00 H new ATOM 518 N GLN A 40 0.060 -5.416 -0.126 1.00 0.00 N ATOM 519 CA GLN A 40 -0.892 -6.520 -0.138 1.00 0.00 C ATOM 520 C GLN A 40 -1.942 -6.347 0.954 1.00 0.00 C ATOM 521 O GLN A 40 -1.611 -6.263 2.138 1.00 0.00 O ATOM 522 CB GLN A 40 -0.162 -7.852 0.046 1.00 0.00 C ATOM 523 CG GLN A 40 0.247 -8.508 -1.263 1.00 0.00 C ATOM 524 CD GLN A 40 0.880 -9.870 -1.060 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.095 -10.029 -1.183 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.057 -10.865 -0.747 1.00 0.00 N ATOM 0 H GLN A 40 0.198 -4.988 0.789 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.397 -6.520 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.728 -7.688 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.805 -8.536 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.629 -8.611 -1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.950 -7.859 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.944 -10.689 -0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.426 -11.804 -0.599 1.00 0.00 H new ATOM 535 N ILE A 41 -3.206 -6.293 0.550 1.00 0.00 N ATOM 536 CA ILE A 41 -4.304 -6.130 1.495 1.00 0.00 C ATOM 537 C ILE A 41 -5.297 -7.282 1.389 1.00 0.00 C ATOM 538 O ILE A 41 -5.648 -7.711 0.290 1.00 0.00 O ATOM 539 CB ILE A 41 -5.050 -4.802 1.268 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.706 -4.790 -0.114 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.095 -3.626 1.417 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.117 -5.336 -0.117 1.00 0.00 C ATOM 0 H ILE A 41 -3.496 -6.360 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.863 -6.124 2.492 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.832 -4.708 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.720 -3.768 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.097 -5.376 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.637 -2.694 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.670 -3.627 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.294 -3.713 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.520 -5.297 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.108 -6.369 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.741 -4.736 0.545 1.00 0.00 H new ATOM 554 N GLN A 42 -5.745 -7.778 2.537 1.00 0.00 N ATOM 555 CA GLN A 42 -6.699 -8.880 2.573 1.00 0.00 C ATOM 556 C GLN A 42 -8.125 -8.361 2.725 1.00 0.00 C ATOM 557 O GLN A 42 -8.490 -7.812 3.765 1.00 0.00 O ATOM 558 CB GLN A 42 -6.366 -9.834 3.721 1.00 0.00 C ATOM 559 CG GLN A 42 -7.041 -11.191 3.600 1.00 0.00 C ATOM 560 CD GLN A 42 -6.949 -12.004 4.876 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.471 -11.606 5.918 1.00 0.00 O ATOM 562 NE2 GLN A 42 -6.284 -13.151 4.801 1.00 0.00 N ATOM 0 H GLN A 42 -5.463 -7.434 3.455 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.627 -9.420 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.286 -9.977 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.662 -9.373 4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.090 -11.049 3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.582 -11.749 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.867 -13.442 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.190 -13.741 5.628 1.00 0.00 H new ATOM 571 N VAL A 43 -8.929 -8.539 1.681 1.00 0.00 N ATOM 572 CA VAL A 43 -10.316 -8.089 1.699 1.00 0.00 C ATOM 573 C VAL A 43 -11.247 -9.197 2.180 1.00 0.00 C ATOM 574 O VAL A 43 -11.151 -10.340 1.732 1.00 0.00 O ATOM 575 CB VAL A 43 -10.772 -7.620 0.305 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.232 -7.194 0.335 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.888 -6.485 -0.190 1.00 0.00 C ATOM 0 H VAL A 43 -8.644 -8.991 0.813 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.367 -7.249 2.392 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.676 -8.455 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.536 -6.866 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.851 -8.037 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.357 -6.374 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.224 -6.166 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.950 -5.646 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.855 -6.829 -0.252 1.00 0.00 H new ATOM 587 N ASP A 44 -12.147 -8.851 3.093 1.00 0.00 N ATOM 588 CA ASP A 44 -13.097 -9.816 3.634 1.00 0.00 C ATOM 589 C ASP A 44 -14.340 -9.906 2.754 1.00 0.00 C ATOM 590 O ASP A 44 -14.462 -9.190 1.761 1.00 0.00 O ATOM 591 CB ASP A 44 -13.494 -9.428 5.060 1.00 0.00 C ATOM 592 CG ASP A 44 -14.142 -10.574 5.811 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.929 -11.740 5.416 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.862 -10.305 6.796 1.00 0.00 O ATOM 0 H ASP A 44 -12.239 -7.909 3.474 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.615 -10.793 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.609 -9.095 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.183 -8.584 5.026 1.00 0.00 H new ATOM 599 N GLU A 45 -15.258 -10.793 3.126 1.00 0.00 N ATOM 600 CA GLU A 45 -16.491 -10.978 2.368 1.00 0.00 C ATOM 601 C GLU A 45 -17.265 -9.667 2.261 1.00 0.00 C ATOM 602 O GLU A 45 -17.917 -9.399 1.251 1.00 0.00 O ATOM 603 CB GLU A 45 -17.365 -12.047 3.027 1.00 0.00 C ATOM 604 CG GLU A 45 -17.946 -11.619 4.364 1.00 0.00 C ATOM 605 CD GLU A 45 -19.016 -12.569 4.866 1.00 0.00 C ATOM 606 OE1 GLU A 45 -18.890 -13.787 4.619 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.978 -12.095 5.505 1.00 0.00 O ATOM 0 H GLU A 45 -15.172 -11.394 3.946 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.225 -11.306 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.181 -12.304 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.773 -12.951 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.145 -11.558 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.369 -10.619 4.269 1.00 0.00 H new ATOM 614 N LYS A 46 -17.190 -8.855 3.309 1.00 0.00 N ATOM 615 CA LYS A 46 -17.882 -7.572 3.335 1.00 0.00 C ATOM 616 C LYS A 46 -17.188 -6.561 2.427 1.00 0.00 C ATOM 617 O LYS A 46 -17.805 -5.602 1.964 1.00 0.00 O ATOM 618 CB LYS A 46 -17.944 -7.031 4.765 1.00 0.00 C ATOM 619 CG LYS A 46 -18.696 -7.935 5.725 1.00 0.00 C ATOM 620 CD LYS A 46 -19.366 -7.139 6.832 1.00 0.00 C ATOM 621 CE LYS A 46 -20.080 -8.049 7.820 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.968 -7.283 8.738 1.00 0.00 N ATOM 0 H LYS A 46 -16.656 -9.063 4.153 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.897 -7.727 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.929 -6.887 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.421 -6.051 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.448 -8.503 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -18.006 -8.658 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.619 -6.545 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -20.081 -6.440 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.670 -8.785 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.343 -8.600 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.436 -7.939 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.401 -6.598 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.687 -6.777 8.183 1.00 0.00 H new ATOM 636 N GLY A 47 -15.902 -6.783 2.175 1.00 0.00 N ATOM 637 CA GLY A 47 -15.146 -5.884 1.323 1.00 0.00 C ATOM 638 C GLY A 47 -14.306 -4.902 2.116 1.00 0.00 C ATOM 639 O GLY A 47 -13.890 -3.867 1.595 1.00 0.00 O ATOM 0 H GLY A 47 -15.370 -7.570 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.497 -6.467 0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.833 -5.333 0.681 1.00 0.00 H new ATOM 643 N LYS A 48 -14.056 -5.226 3.380 1.00 0.00 N ATOM 644 CA LYS A 48 -13.261 -4.366 4.248 1.00 0.00 C ATOM 645 C LYS A 48 -11.860 -4.937 4.443 1.00 0.00 C ATOM 646 O LYS A 48 -11.691 -6.141 4.636 1.00 0.00 O ATOM 647 CB LYS A 48 -13.949 -4.199 5.604 1.00 0.00 C ATOM 648 CG LYS A 48 -13.109 -3.448 6.624 1.00 0.00 C ATOM 649 CD LYS A 48 -12.238 -4.394 7.434 1.00 0.00 C ATOM 650 CE LYS A 48 -12.957 -4.880 8.684 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.730 -6.127 8.429 1.00 0.00 N ATOM 0 H LYS A 48 -14.393 -6.079 3.826 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.174 -3.390 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.891 -3.670 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.194 -5.184 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.479 -2.720 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.762 -2.889 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.957 -5.249 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.315 -3.888 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.229 -5.059 9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.631 -4.101 9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.731 -6.716 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.709 -5.883 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.291 -6.654 7.647 1.00 0.00 H new ATOM 665 N ILE A 49 -10.858 -4.065 4.393 1.00 0.00 N ATOM 666 CA ILE A 49 -9.473 -4.482 4.568 1.00 0.00 C ATOM 667 C ILE A 49 -9.191 -4.861 6.018 1.00 0.00 C ATOM 668 O ILE A 49 -9.099 -3.997 6.889 1.00 0.00 O ATOM 669 CB ILE A 49 -8.492 -3.375 4.138 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.603 -3.121 2.633 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.068 -3.754 4.513 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.264 -1.702 2.233 1.00 0.00 C ATOM 0 H ILE A 49 -10.980 -3.065 4.233 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.324 -5.354 3.932 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.752 -2.456 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.939 -3.807 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.618 -3.349 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.387 -2.962 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.000 -3.889 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.795 -4.683 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.364 -1.595 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.944 -1.011 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.239 -1.476 2.527 1.00 0.00 H new ATOM 684 N VAL A 50 -9.053 -6.159 6.269 1.00 0.00 N ATOM 685 CA VAL A 50 -8.779 -6.653 7.613 1.00 0.00 C ATOM 686 C VAL A 50 -7.279 -6.744 7.869 1.00 0.00 C ATOM 687 O VAL A 50 -6.822 -6.592 9.002 1.00 0.00 O ATOM 688 CB VAL A 50 -9.413 -8.037 7.843 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.931 -7.937 7.840 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.934 -9.024 6.788 1.00 0.00 C ATOM 0 H VAL A 50 -9.127 -6.888 5.559 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.221 -5.940 8.309 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.099 -8.403 8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.361 -8.925 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.253 -7.265 8.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.268 -7.550 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.392 -9.997 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.217 -8.665 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.849 -9.118 6.843 1.00 0.00 H new ATOM 700 N ASP A 51 -6.517 -6.992 6.809 1.00 0.00 N ATOM 701 CA ASP A 51 -5.067 -7.102 6.918 1.00 0.00 C ATOM 702 C ASP A 51 -4.378 -6.316 5.807 1.00 0.00 C ATOM 703 O ASP A 51 -4.852 -6.280 4.672 1.00 0.00 O ATOM 704 CB ASP A 51 -4.640 -8.570 6.863 1.00 0.00 C ATOM 705 CG ASP A 51 -4.853 -9.285 8.182 1.00 0.00 C ATOM 706 OD1 ASP A 51 -4.900 -8.602 9.226 1.00 0.00 O ATOM 707 OD2 ASP A 51 -4.973 -10.528 8.171 1.00 0.00 O ATOM 0 H ASP A 51 -6.880 -7.121 5.864 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.766 -6.680 7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.203 -9.080 6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.587 -8.629 6.587 1.00 0.00 H new ATOM 712 N ALA A 52 -3.256 -5.687 6.143 1.00 0.00 N ATOM 713 CA ALA A 52 -2.501 -4.902 5.174 1.00 0.00 C ATOM 714 C ALA A 52 -1.016 -5.246 5.227 1.00 0.00 C ATOM 715 O ALA A 52 -0.463 -5.488 6.300 1.00 0.00 O ATOM 716 CB ALA A 52 -2.709 -3.416 5.422 1.00 0.00 C ATOM 0 H ALA A 52 -2.850 -5.706 7.079 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.869 -5.148 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.139 -2.842 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.768 -3.176 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.369 -3.164 6.426 1.00 0.00 H new ATOM 722 N ARG A 53 -0.377 -5.268 4.062 1.00 0.00 N ATOM 723 CA ARG A 53 1.044 -5.584 3.976 1.00 0.00 C ATOM 724 C ARG A 53 1.804 -4.478 3.251 1.00 0.00 C ATOM 725 O ARG A 53 1.231 -3.736 2.453 1.00 0.00 O ATOM 726 CB ARG A 53 1.248 -6.917 3.254 1.00 0.00 C ATOM 727 CG ARG A 53 1.292 -8.116 4.187 1.00 0.00 C ATOM 728 CD ARG A 53 2.657 -8.264 4.841 1.00 0.00 C ATOM 729 NE ARG A 53 3.743 -8.147 3.871 1.00 0.00 N ATOM 730 CZ ARG A 53 4.065 -9.104 3.009 1.00 0.00 C ATOM 731 NH1 ARG A 53 3.388 -10.244 2.995 1.00 0.00 N ATOM 732 NH2 ARG A 53 5.067 -8.923 2.157 1.00 0.00 N ATOM 0 H ARG A 53 -0.820 -5.071 3.165 1.00 0.00 H new ATOM 0 HA ARG A 53 1.435 -5.664 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.442 -7.057 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.178 -6.875 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.528 -8.007 4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.055 -9.022 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.775 -7.502 5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.718 -9.232 5.339 1.00 0.00 H new ATOM 0 HE ARG A 53 4.284 -7.282 3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.617 -10.388 3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.638 -10.977 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.591 -8.048 2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.313 -9.659 1.495 1.00 0.00 H new ATOM 746 N PHE A 54 3.099 -4.374 3.533 1.00 0.00 N ATOM 747 CA PHE A 54 3.938 -3.358 2.909 1.00 0.00 C ATOM 748 C PHE A 54 5.403 -3.785 2.913 1.00 0.00 C ATOM 749 O PHE A 54 6.005 -3.971 3.970 1.00 0.00 O ATOM 750 CB PHE A 54 3.783 -2.021 3.637 1.00 0.00 C ATOM 751 CG PHE A 54 4.893 -1.733 4.606 1.00 0.00 C ATOM 752 CD1 PHE A 54 6.050 -1.097 4.186 1.00 0.00 C ATOM 753 CD2 PHE A 54 4.780 -2.099 5.938 1.00 0.00 C ATOM 754 CE1 PHE A 54 7.074 -0.833 5.076 1.00 0.00 C ATOM 755 CE2 PHE A 54 5.801 -1.837 6.833 1.00 0.00 C ATOM 756 CZ PHE A 54 6.948 -1.202 6.402 1.00 0.00 C ATOM 0 H PHE A 54 3.590 -4.981 4.190 1.00 0.00 H new ATOM 0 HA PHE A 54 3.615 -3.240 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.737 -1.219 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.834 -2.016 4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.153 -0.804 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.884 -2.595 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.972 -0.339 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.701 -2.129 7.868 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.746 -0.994 7.100 1.00 0.00 H new ATOM 766 N LYS A 55 5.971 -3.938 1.722 1.00 0.00 N ATOM 767 CA LYS A 55 7.365 -4.343 1.585 1.00 0.00 C ATOM 768 C LYS A 55 8.122 -3.386 0.668 1.00 0.00 C ATOM 769 O LYS A 55 8.006 -3.460 -0.555 1.00 0.00 O ATOM 770 CB LYS A 55 7.453 -5.768 1.035 1.00 0.00 C ATOM 771 CG LYS A 55 7.785 -6.808 2.092 1.00 0.00 C ATOM 772 CD LYS A 55 9.047 -6.443 2.856 1.00 0.00 C ATOM 773 CE LYS A 55 9.744 -7.679 3.403 1.00 0.00 C ATOM 774 NZ LYS A 55 9.164 -8.113 4.704 1.00 0.00 N ATOM 0 H LYS A 55 5.487 -3.788 0.837 1.00 0.00 H new ATOM 0 HA LYS A 55 7.824 -4.313 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.503 -6.027 0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.212 -5.801 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.951 -6.900 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.914 -7.781 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.727 -5.901 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.795 -5.772 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.663 -8.491 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.806 -7.470 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.666 -8.958 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.264 -7.348 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.156 -8.337 4.577 1.00 0.00 H new ATOM 788 N THR A 56 8.898 -2.488 1.268 1.00 0.00 N ATOM 789 CA THR A 56 9.673 -1.518 0.506 1.00 0.00 C ATOM 790 C THR A 56 11.153 -1.883 0.496 1.00 0.00 C ATOM 791 O THR A 56 11.701 -2.322 1.507 1.00 0.00 O ATOM 792 CB THR A 56 9.511 -0.096 1.077 1.00 0.00 C ATOM 793 OG1 THR A 56 8.123 0.250 1.141 1.00 0.00 O ATOM 794 CG2 THR A 56 10.253 0.919 0.221 1.00 0.00 C ATOM 0 H THR A 56 9.006 -2.413 2.280 1.00 0.00 H new ATOM 0 HA THR A 56 9.289 -1.538 -0.514 1.00 0.00 H new ATOM 0 HB THR A 56 9.936 -0.080 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.901 0.547 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.124 1.915 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.314 0.669 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.854 0.901 -0.793 1.00 0.00 H new ATOM 802 N PHE A 57 11.796 -1.697 -0.652 1.00 0.00 N ATOM 803 CA PHE A 57 13.214 -2.008 -0.794 1.00 0.00 C ATOM 804 C PHE A 57 13.935 -0.912 -1.573 1.00 0.00 C ATOM 805 O PHE A 57 13.765 -0.782 -2.785 1.00 0.00 O ATOM 806 CB PHE A 57 13.395 -3.354 -1.498 1.00 0.00 C ATOM 807 CG PHE A 57 12.540 -4.449 -0.927 1.00 0.00 C ATOM 808 CD1 PHE A 57 12.487 -4.664 0.441 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.788 -5.264 -1.759 1.00 0.00 C ATOM 810 CE1 PHE A 57 11.701 -5.670 0.969 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.000 -6.271 -1.236 1.00 0.00 C ATOM 812 CZ PHE A 57 10.957 -6.476 0.129 1.00 0.00 C ATOM 0 H PHE A 57 11.358 -1.332 -1.498 1.00 0.00 H new ATOM 0 HA PHE A 57 13.649 -2.067 0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.161 -3.236 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.442 -3.651 -1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.067 -4.038 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.819 -5.110 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.668 -5.826 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.418 -6.898 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.343 -7.264 0.539 1.00 0.00 H new ATOM 822 N GLY A 58 14.741 -0.124 -0.867 1.00 0.00 N ATOM 823 CA GLY A 58 15.476 0.950 -1.508 1.00 0.00 C ATOM 824 C GLY A 58 15.729 2.117 -0.574 1.00 0.00 C ATOM 825 O GLY A 58 16.372 1.963 0.465 1.00 0.00 O ATOM 0 H GLY A 58 14.898 -0.211 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.429 0.567 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.919 1.299 -2.378 1.00 0.00 H new ATOM 829 N CYS A 59 15.223 3.289 -0.943 1.00 0.00 N ATOM 830 CA CYS A 59 15.399 4.488 -0.132 1.00 0.00 C ATOM 831 C CYS A 59 14.395 4.520 1.017 1.00 0.00 C ATOM 832 O CYS A 59 13.278 4.020 0.893 1.00 0.00 O ATOM 833 CB CYS A 59 15.241 5.741 -0.996 1.00 0.00 C ATOM 834 SG CYS A 59 13.515 6.275 -1.224 1.00 0.00 S ATOM 0 H CYS A 59 14.687 3.434 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 59 16.405 4.468 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.805 6.556 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.684 5.553 -1.974 1.00 0.00 H new ATOM 0 HG CYS A 59 12.980 5.607 -2.202 1.00 0.00 H new ATOM 839 N GLY A 60 14.803 5.111 2.135 1.00 0.00 N ATOM 840 CA GLY A 60 13.928 5.198 3.290 1.00 0.00 C ATOM 841 C GLY A 60 12.609 5.873 2.969 1.00 0.00 C ATOM 842 O GLY A 60 11.542 5.304 3.198 1.00 0.00 O ATOM 0 H GLY A 60 15.724 5.531 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.736 4.196 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.432 5.751 4.083 1.00 0.00 H new ATOM 846 N SER A 61 12.682 7.089 2.440 1.00 0.00 N ATOM 847 CA SER A 61 11.485 7.845 2.092 1.00 0.00 C ATOM 848 C SER A 61 10.384 6.916 1.588 1.00 0.00 C ATOM 849 O SER A 61 9.200 7.154 1.825 1.00 0.00 O ATOM 850 CB SER A 61 11.809 8.895 1.027 1.00 0.00 C ATOM 851 OG SER A 61 12.875 9.730 1.444 1.00 0.00 O ATOM 0 H SER A 61 13.558 7.573 2.243 1.00 0.00 H new ATOM 0 HA SER A 61 11.130 8.349 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.074 8.400 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.925 9.500 0.828 1.00 0.00 H new ATOM 0 HG SER A 61 12.532 10.629 1.631 1.00 0.00 H new ATOM 857 N ALA A 62 10.784 5.857 0.892 1.00 0.00 N ATOM 858 CA ALA A 62 9.834 4.892 0.356 1.00 0.00 C ATOM 859 C ALA A 62 9.289 3.988 1.457 1.00 0.00 C ATOM 860 O ALA A 62 8.081 3.767 1.550 1.00 0.00 O ATOM 861 CB ALA A 62 10.487 4.059 -0.738 1.00 0.00 C ATOM 0 H ALA A 62 11.761 5.646 0.686 1.00 0.00 H new ATOM 0 HA ALA A 62 8.997 5.444 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.765 3.342 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.821 4.713 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.343 3.524 -0.326 1.00 0.00 H new ATOM 867 N ILE A 63 10.187 3.469 2.288 1.00 0.00 N ATOM 868 CA ILE A 63 9.795 2.590 3.382 1.00 0.00 C ATOM 869 C ILE A 63 8.773 3.265 4.291 1.00 0.00 C ATOM 870 O ILE A 63 7.811 2.637 4.734 1.00 0.00 O ATOM 871 CB ILE A 63 11.012 2.163 4.225 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.009 1.386 3.363 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.565 1.326 5.414 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.423 1.418 3.899 1.00 0.00 C ATOM 0 H ILE A 63 11.190 3.642 2.224 1.00 0.00 H new ATOM 0 HA ILE A 63 9.347 1.705 2.930 1.00 0.00 H new ATOM 0 HB ILE A 63 11.507 3.058 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.681 0.349 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.002 1.797 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.436 1.032 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.889 1.911 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.049 0.434 5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.076 0.847 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.770 2.450 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.444 0.980 4.897 1.00 0.00 H new ATOM 886 N ALA A 64 8.987 4.548 4.563 1.00 0.00 N ATOM 887 CA ALA A 64 8.083 5.309 5.415 1.00 0.00 C ATOM 888 C ALA A 64 6.693 5.402 4.796 1.00 0.00 C ATOM 889 O ALA A 64 5.739 4.806 5.297 1.00 0.00 O ATOM 890 CB ALA A 64 8.644 6.701 5.669 1.00 0.00 C ATOM 0 H ALA A 64 9.779 5.082 4.205 1.00 0.00 H new ATOM 0 HA ALA A 64 7.994 4.786 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.958 7.259 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.613 6.619 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.763 7.224 4.720 1.00 0.00 H new ATOM 896 N SER A 65 6.585 6.153 3.705 1.00 0.00 N ATOM 897 CA SER A 65 5.309 6.327 3.020 1.00 0.00 C ATOM 898 C SER A 65 4.498 5.035 3.046 1.00 0.00 C ATOM 899 O SER A 65 3.325 5.033 3.419 1.00 0.00 O ATOM 900 CB SER A 65 5.539 6.769 1.573 1.00 0.00 C ATOM 901 OG SER A 65 4.320 7.139 0.953 1.00 0.00 O ATOM 0 H SER A 65 7.365 6.651 3.276 1.00 0.00 H new ATOM 0 HA SER A 65 4.746 7.100 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.231 7.611 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.005 5.959 1.012 1.00 0.00 H new ATOM 0 HG SER A 65 4.494 7.419 0.030 1.00 0.00 H new ATOM 907 N SER A 66 5.132 3.938 2.646 1.00 0.00 N ATOM 908 CA SER A 66 4.469 2.639 2.619 1.00 0.00 C ATOM 909 C SER A 66 3.932 2.275 4.000 1.00 0.00 C ATOM 910 O SER A 66 2.735 2.043 4.171 1.00 0.00 O ATOM 911 CB SER A 66 5.438 1.558 2.134 1.00 0.00 C ATOM 912 OG SER A 66 6.555 1.450 3.000 1.00 0.00 O ATOM 0 H SER A 66 6.104 3.922 2.336 1.00 0.00 H new ATOM 0 HA SER A 66 3.629 2.701 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.922 0.600 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.777 1.795 1.125 1.00 0.00 H new ATOM 0 HG SER A 66 6.383 0.756 3.670 1.00 0.00 H new ATOM 918 N SER A 67 4.826 2.226 4.982 1.00 0.00 N ATOM 919 CA SER A 67 4.444 1.886 6.347 1.00 0.00 C ATOM 920 C SER A 67 3.185 2.640 6.763 1.00 0.00 C ATOM 921 O SER A 67 2.232 2.048 7.271 1.00 0.00 O ATOM 922 CB SER A 67 5.587 2.206 7.313 1.00 0.00 C ATOM 923 OG SER A 67 5.176 2.044 8.660 1.00 0.00 O ATOM 0 H SER A 67 5.820 2.418 4.858 1.00 0.00 H new ATOM 0 HA SER A 67 4.235 0.817 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.435 1.553 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.927 3.229 7.154 1.00 0.00 H new ATOM 0 HG SER A 67 5.924 2.253 9.258 1.00 0.00 H new ATOM 929 N LEU A 68 3.188 3.950 6.543 1.00 0.00 N ATOM 930 CA LEU A 68 2.046 4.788 6.894 1.00 0.00 C ATOM 931 C LEU A 68 0.844 4.466 6.012 1.00 0.00 C ATOM 932 O LEU A 68 -0.302 4.543 6.456 1.00 0.00 O ATOM 933 CB LEU A 68 2.412 6.266 6.757 1.00 0.00 C ATOM 934 CG LEU A 68 1.240 7.248 6.731 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.677 8.615 7.235 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.665 7.355 5.326 1.00 0.00 C ATOM 0 H LEU A 68 3.968 4.455 6.123 1.00 0.00 H new ATOM 0 HA LEU A 68 1.779 4.581 7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.068 6.536 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.987 6.394 5.840 1.00 0.00 H new ATOM 0 HG LEU A 68 0.461 6.871 7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.830 9.300 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.041 8.526 8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.474 9.000 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.168 8.058 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.437 7.708 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.313 6.376 5.001 1.00 0.00 H new ATOM 948 N ALA A 69 1.113 4.103 4.762 1.00 0.00 N ATOM 949 CA ALA A 69 0.053 3.765 3.820 1.00 0.00 C ATOM 950 C ALA A 69 -0.653 2.476 4.227 1.00 0.00 C ATOM 951 O ALA A 69 -1.846 2.478 4.532 1.00 0.00 O ATOM 952 CB ALA A 69 0.619 3.638 2.413 1.00 0.00 C ATOM 0 H ALA A 69 2.056 4.035 4.378 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.682 4.570 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.183 3.385 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.071 4.584 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.375 2.853 2.394 1.00 0.00 H new ATOM 958 N THR A 70 0.091 1.374 4.230 1.00 0.00 N ATOM 959 CA THR A 70 -0.464 0.078 4.597 1.00 0.00 C ATOM 960 C THR A 70 -1.154 0.140 5.955 1.00 0.00 C ATOM 961 O THR A 70 -1.935 -0.744 6.305 1.00 0.00 O ATOM 962 CB THR A 70 0.627 -1.009 4.638 1.00 0.00 C ATOM 963 OG1 THR A 70 0.030 -2.306 4.530 1.00 0.00 O ATOM 964 CG2 THR A 70 1.431 -0.921 5.926 1.00 0.00 C ATOM 0 H THR A 70 1.080 1.354 3.982 1.00 0.00 H new ATOM 0 HA THR A 70 -1.196 -0.180 3.832 1.00 0.00 H new ATOM 0 HB THR A 70 1.301 -0.848 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.486 -2.928 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.195 -1.698 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.908 0.057 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.767 -1.058 6.779 1.00 0.00 H new ATOM 972 N GLU A 71 -0.860 1.190 6.716 1.00 0.00 N ATOM 973 CA GLU A 71 -1.453 1.366 8.036 1.00 0.00 C ATOM 974 C GLU A 71 -2.790 2.096 7.939 1.00 0.00 C ATOM 975 O GLU A 71 -3.667 1.921 8.784 1.00 0.00 O ATOM 976 CB GLU A 71 -0.501 2.142 8.948 1.00 0.00 C ATOM 977 CG GLU A 71 -1.065 2.406 10.334 1.00 0.00 C ATOM 978 CD GLU A 71 -0.769 1.282 11.308 1.00 0.00 C ATOM 979 OE1 GLU A 71 -0.269 0.228 10.862 1.00 0.00 O ATOM 980 OE2 GLU A 71 -1.038 1.456 12.515 1.00 0.00 O ATOM 0 H GLU A 71 -0.215 1.931 6.441 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.628 0.378 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.431 1.585 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.256 3.094 8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.648 3.336 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.144 2.545 10.263 1.00 0.00 H new ATOM 987 N TRP A 72 -2.936 2.915 6.904 1.00 0.00 N ATOM 988 CA TRP A 72 -4.165 3.673 6.696 1.00 0.00 C ATOM 989 C TRP A 72 -5.248 2.795 6.079 1.00 0.00 C ATOM 990 O TRP A 72 -6.439 3.012 6.302 1.00 0.00 O ATOM 991 CB TRP A 72 -3.897 4.881 5.797 1.00 0.00 C ATOM 992 CG TRP A 72 -3.324 6.054 6.534 1.00 0.00 C ATOM 993 CD1 TRP A 72 -3.025 6.119 7.865 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.983 7.330 5.981 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.518 7.359 8.172 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.481 8.120 7.034 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.050 7.881 4.698 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -2.052 9.430 6.842 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.624 9.182 4.509 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.129 9.944 5.576 1.00 0.00 C ATOM 0 H TRP A 72 -2.219 3.071 6.196 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.516 4.022 7.667 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.210 4.589 5.003 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.828 5.182 5.318 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.166 5.315 8.572 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.218 7.663 9.098 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.428 7.300 3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.672 10.020 7.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.673 9.619 3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.802 10.957 5.396 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.827 1.802 5.302 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.762 0.890 4.654 1.00 0.00 C ATOM 1013 C VAL A 73 -6.382 -0.070 5.663 1.00 0.00 C ATOM 1014 O VAL A 73 -7.478 -0.590 5.450 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.073 0.075 3.544 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.346 0.997 2.577 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.115 -0.942 4.146 1.00 0.00 C ATOM 0 H VAL A 73 -3.845 1.609 5.106 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.546 1.504 4.211 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.838 -0.466 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.865 0.403 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.061 1.682 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.590 1.568 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.637 -1.509 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.354 -0.424 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.667 -1.623 4.794 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.675 -0.302 6.763 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.155 -1.198 7.808 1.00 0.00 C ATOM 1029 C LYS A 74 -7.492 -0.717 8.365 1.00 0.00 C ATOM 1030 O LYS A 74 -7.642 0.449 8.725 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.127 -1.296 8.937 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.870 -2.057 8.551 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.872 -2.102 9.695 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.477 -2.461 9.205 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.441 -2.208 10.244 1.00 0.00 N ATOM 0 H LYS A 74 -4.766 0.119 6.954 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.298 -2.185 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.850 -0.290 9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.588 -1.784 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.134 -3.073 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.409 -1.584 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.845 -1.133 10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.198 -2.833 10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.453 -3.512 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.245 -1.880 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.479 -2.559 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.376 -1.186 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.702 -2.702 11.122 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.460 -1.626 8.433 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.771 -1.276 8.948 1.00 0.00 C ATOM 1051 C GLY A 75 -10.654 -0.634 7.896 1.00 0.00 C ATOM 1052 O GLY A 75 -11.872 -0.816 7.901 1.00 0.00 O ATOM 0 H GLY A 75 -8.360 -2.598 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.259 -2.173 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.657 -0.592 9.789 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.041 0.123 6.993 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.779 0.796 5.930 1.00 0.00 C ATOM 1058 C LYS A 76 -11.152 -0.184 4.822 1.00 0.00 C ATOM 1059 O LYS A 76 -10.615 -1.290 4.749 1.00 0.00 O ATOM 1060 CB LYS A 76 -9.947 1.943 5.351 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.760 3.103 6.313 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.950 4.224 5.683 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.396 5.171 6.737 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.474 5.954 7.401 1.00 0.00 N ATOM 0 H LYS A 76 -9.034 0.286 6.976 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.696 1.200 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.968 1.561 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.428 2.308 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.734 3.484 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.258 2.752 7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.129 3.800 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.577 4.780 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.848 4.600 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.684 5.854 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.056 6.587 8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.981 6.519 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.140 5.304 7.865 1.00 0.00 H new ATOM 1078 N THR A 77 -12.076 0.228 3.960 1.00 0.00 N ATOM 1079 CA THR A 77 -12.521 -0.613 2.856 1.00 0.00 C ATOM 1080 C THR A 77 -11.842 -0.212 1.551 1.00 0.00 C ATOM 1081 O THR A 77 -11.365 0.914 1.408 1.00 0.00 O ATOM 1082 CB THR A 77 -14.048 -0.536 2.671 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.431 0.793 2.301 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.769 -0.939 3.949 1.00 0.00 C ATOM 0 H THR A 77 -12.531 1.140 4.005 1.00 0.00 H new ATOM 0 HA THR A 77 -12.244 -1.637 3.107 1.00 0.00 H new ATOM 0 HB THR A 77 -14.331 -1.229 1.878 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.403 0.833 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.846 -0.877 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.499 -1.962 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.479 -0.268 4.757 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.803 -1.140 0.600 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.184 -0.883 -0.695 1.00 0.00 C ATOM 1094 C VAL A 78 -11.594 0.481 -1.238 1.00 0.00 C ATOM 1095 O VAL A 78 -10.763 1.230 -1.752 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.560 -1.967 -1.722 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.090 -3.335 -1.252 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.061 -1.966 -1.971 1.00 0.00 C ATOM 0 H VAL A 78 -12.193 -2.077 0.702 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.105 -0.900 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.058 -1.741 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.365 -4.088 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.007 -3.325 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.561 -3.574 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.310 -2.738 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.585 -2.167 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.365 -0.993 -2.356 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.879 0.797 -1.120 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.399 2.072 -1.601 1.00 0.00 C ATOM 1110 C GLU A 79 -12.690 3.240 -0.920 1.00 0.00 C ATOM 1111 O GLU A 79 -12.279 4.196 -1.576 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.906 2.161 -1.350 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.698 1.041 -2.003 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.068 0.855 -1.379 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.856 1.824 -1.376 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.352 -0.260 -0.895 1.00 0.00 O ATOM 0 H GLU A 79 -13.579 0.189 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.212 2.130 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.089 2.145 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.272 3.118 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.813 1.254 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.137 0.110 -1.923 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.551 3.153 0.399 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.893 4.203 1.168 1.00 0.00 C ATOM 1125 C GLU A 80 -10.446 4.380 0.719 1.00 0.00 C ATOM 1126 O GLU A 80 -10.012 5.490 0.410 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.939 3.876 2.662 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.348 3.738 3.212 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.174 4.996 3.025 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.072 5.905 3.876 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.921 5.071 2.028 1.00 0.00 O ATOM 0 H GLU A 80 -12.885 2.367 0.957 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.427 5.137 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.397 2.947 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.418 4.659 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.847 2.904 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.297 3.496 4.274 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.703 3.279 0.686 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.306 3.311 0.273 1.00 0.00 C ATOM 1140 C ALA A 81 -8.139 4.062 -1.043 1.00 0.00 C ATOM 1141 O ALA A 81 -7.173 4.804 -1.229 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.759 1.897 0.149 1.00 0.00 C ATOM 0 H ALA A 81 -10.046 2.353 0.941 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.740 3.842 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.715 1.937 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.833 1.392 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.337 1.347 -0.594 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.085 3.865 -1.955 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.043 4.524 -3.256 1.00 0.00 C ATOM 1150 C LEU A 82 -9.071 6.041 -3.100 1.00 0.00 C ATOM 1151 O LEU A 82 -8.570 6.774 -3.953 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.219 4.066 -4.120 1.00 0.00 C ATOM 1153 CG LEU A 82 -9.963 2.854 -5.016 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.861 3.156 -6.020 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.603 1.637 -4.177 1.00 0.00 C ATOM 0 H LEU A 82 -9.890 3.254 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.110 4.246 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.058 3.836 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.527 4.900 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.878 2.633 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.692 2.282 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.158 4.000 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.942 3.403 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.424 0.784 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.702 1.847 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.424 1.407 -3.498 1.00 0.00 H new ATOM 1167 N THR A 83 -9.660 6.507 -2.002 1.00 0.00 N ATOM 1168 CA THR A 83 -9.753 7.936 -1.732 1.00 0.00 C ATOM 1169 C THR A 83 -8.487 8.452 -1.059 1.00 0.00 C ATOM 1170 O THR A 83 -8.433 9.598 -0.612 1.00 0.00 O ATOM 1171 CB THR A 83 -10.965 8.261 -0.839 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.615 8.097 0.540 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.144 7.362 -1.179 1.00 0.00 C ATOM 0 H THR A 83 -10.080 5.915 -1.286 1.00 0.00 H new ATOM 0 HA THR A 83 -9.877 8.432 -2.695 1.00 0.00 H new ATOM 0 HB THR A 83 -11.254 9.296 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.587 7.142 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.988 7.610 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.426 7.511 -2.221 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.864 6.320 -1.024 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.469 7.600 -0.991 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.202 7.972 -0.373 1.00 0.00 C ATOM 1183 C ILE A 84 -5.248 8.576 -1.397 1.00 0.00 C ATOM 1184 O ILE A 84 -4.726 7.875 -2.265 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.524 6.761 0.294 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.419 6.189 1.394 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.168 7.158 0.859 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.846 4.958 2.061 1.00 0.00 C ATOM 0 H ILE A 84 -7.497 6.648 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.429 8.716 0.391 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.370 5.989 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.588 6.956 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.391 5.942 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.701 6.291 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.531 7.522 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.300 7.945 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.534 4.607 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.703 4.174 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.887 5.204 2.517 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.021 9.880 -1.290 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.126 10.580 -2.204 1.00 0.00 C ATOM 1202 C LYS A 85 -2.701 10.603 -1.659 1.00 0.00 C ATOM 1203 O LYS A 85 -2.470 10.306 -0.488 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.617 12.010 -2.438 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.054 12.087 -2.925 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.184 11.598 -4.358 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.592 11.808 -4.893 1.00 0.00 C ATOM 1208 NZ LYS A 85 -7.913 13.253 -5.059 1.00 0.00 N ATOM 0 H LYS A 85 -5.445 10.475 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.125 10.044 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.526 12.573 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.968 12.493 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.692 11.487 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.408 13.116 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.471 12.127 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.929 10.539 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.695 11.301 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.311 11.352 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.771 13.354 -5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.072 13.683 -4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.120 13.733 -5.530 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.750 10.960 -2.517 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.348 11.023 -2.121 1.00 0.00 C ATOM 1224 C ASN A 86 -0.042 12.340 -1.413 1.00 0.00 C ATOM 1225 O ASN A 86 0.645 12.363 -0.391 1.00 0.00 O ATOM 1226 CB ASN A 86 0.557 10.867 -3.344 1.00 0.00 C ATOM 1227 CG ASN A 86 0.892 12.198 -3.989 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.446 13.090 -3.347 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.556 12.337 -5.267 1.00 0.00 N ATOM 0 H ASN A 86 -1.925 11.210 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.155 10.204 -1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.479 10.367 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.067 10.225 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.756 13.210 -5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.098 11.571 -5.760 1.00 0.00 H new ATOM 1236 N THR A 87 -0.557 13.435 -1.962 1.00 0.00 N ATOM 1237 CA THR A 87 -0.339 14.755 -1.385 1.00 0.00 C ATOM 1238 C THR A 87 -0.433 14.712 0.136 1.00 0.00 C ATOM 1239 O THR A 87 0.408 15.278 0.835 1.00 0.00 O ATOM 1240 CB THR A 87 -1.358 15.778 -1.921 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.677 15.431 -1.486 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.318 15.835 -3.441 1.00 0.00 C ATOM 0 H THR A 87 -1.129 13.434 -2.807 1.00 0.00 H new ATOM 0 HA THR A 87 0.664 15.065 -1.677 1.00 0.00 H new ATOM 0 HB THR A 87 -1.094 16.760 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.318 16.088 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.046 16.564 -3.797 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.321 16.129 -3.768 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.559 14.853 -3.848 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.458 14.037 0.642 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.660 13.918 2.082 1.00 0.00 C ATOM 1252 C ASP A 88 -0.508 13.158 2.731 1.00 0.00 C ATOM 1253 O ASP A 88 0.060 13.607 3.728 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.984 13.211 2.376 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.182 13.990 1.869 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.342 15.162 2.272 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.959 13.429 1.069 1.00 0.00 O ATOM 0 H ASP A 88 -2.163 13.563 0.077 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.692 14.923 2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.975 12.223 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.081 13.060 3.451 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.169 12.007 2.161 1.00 0.00 N ATOM 1263 CA ILE A 89 0.915 11.186 2.685 1.00 0.00 C ATOM 1264 C ILE A 89 2.196 11.999 2.839 1.00 0.00 C ATOM 1265 O ILE A 89 2.707 12.166 3.945 1.00 0.00 O ATOM 1266 CB ILE A 89 1.194 9.975 1.775 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.062 9.114 1.634 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.348 9.152 2.328 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.075 8.007 0.612 1.00 0.00 C ATOM 0 H ILE A 89 -0.629 11.622 1.336 1.00 0.00 H new ATOM 0 HA ILE A 89 0.595 10.828 3.664 1.00 0.00 H new ATOM 0 HB ILE A 89 1.474 10.339 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.302 8.675 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.901 9.752 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.533 8.300 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.244 9.771 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.095 8.795 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.853 7.438 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.285 8.439 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.892 7.346 0.899 1.00 0.00 H new ATOM 1281 N ALA A 90 2.707 12.503 1.721 1.00 0.00 N ATOM 1282 CA ALA A 90 3.926 13.302 1.732 1.00 0.00 C ATOM 1283 C ALA A 90 4.006 14.165 2.986 1.00 0.00 C ATOM 1284 O ALA A 90 5.063 14.283 3.606 1.00 0.00 O ATOM 1285 CB ALA A 90 3.998 14.172 0.485 1.00 0.00 C ATOM 0 H ALA A 90 2.296 12.372 0.797 1.00 0.00 H new ATOM 0 HA ALA A 90 4.777 12.621 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.913 14.763 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.996 13.538 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.136 14.839 0.456 1.00 0.00 H new ATOM 1291 N LYS A 91 2.881 14.769 3.356 1.00 0.00 N ATOM 1292 CA LYS A 91 2.823 15.621 4.538 1.00 0.00 C ATOM 1293 C LYS A 91 3.119 14.821 5.802 1.00 0.00 C ATOM 1294 O LYS A 91 4.058 15.127 6.535 1.00 0.00 O ATOM 1295 CB LYS A 91 1.445 16.279 4.649 1.00 0.00 C ATOM 1296 CG LYS A 91 1.430 17.511 5.538 1.00 0.00 C ATOM 1297 CD LYS A 91 0.049 18.144 5.589 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.811 17.519 6.677 1.00 0.00 C ATOM 1299 NZ LYS A 91 -0.490 18.069 8.023 1.00 0.00 N ATOM 0 H LYS A 91 1.997 14.684 2.854 1.00 0.00 H new ATOM 0 HA LYS A 91 3.583 16.396 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.102 16.556 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.734 15.551 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.744 17.238 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.151 18.238 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.145 19.215 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.442 18.026 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.863 17.696 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.663 16.439 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.097 17.618 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.508 17.878 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.656 19.096 8.027 1.00 0.00 H new ATOM 1313 N GLU A 92 2.313 13.793 6.048 1.00 0.00 N ATOM 1314 CA GLU A 92 2.490 12.949 7.224 1.00 0.00 C ATOM 1315 C GLU A 92 3.967 12.641 7.455 1.00 0.00 C ATOM 1316 O GLU A 92 4.444 12.649 8.590 1.00 0.00 O ATOM 1317 CB GLU A 92 1.705 11.645 7.066 1.00 0.00 C ATOM 1318 CG GLU A 92 0.369 11.820 6.365 1.00 0.00 C ATOM 1319 CD GLU A 92 -0.444 12.965 6.936 1.00 0.00 C ATOM 1320 OE1 GLU A 92 0.153 14.015 7.255 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -1.677 12.813 7.065 1.00 0.00 O ATOM 0 H GLU A 92 1.532 13.525 5.449 1.00 0.00 H new ATOM 0 HA GLU A 92 2.110 13.491 8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.310 10.933 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.535 11.212 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.540 11.995 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.204 10.896 6.447 1.00 0.00 H new ATOM 1328 N LEU A 93 4.685 12.371 6.371 1.00 0.00 N ATOM 1329 CA LEU A 93 6.108 12.060 6.454 1.00 0.00 C ATOM 1330 C LEU A 93 6.951 13.321 6.294 1.00 0.00 C ATOM 1331 O LEU A 93 8.105 13.366 6.721 1.00 0.00 O ATOM 1332 CB LEU A 93 6.490 11.038 5.381 1.00 0.00 C ATOM 1333 CG LEU A 93 5.670 9.748 5.360 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.185 9.401 6.760 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.493 9.880 4.404 1.00 0.00 C ATOM 0 H LEU A 93 4.306 12.361 5.424 1.00 0.00 H new ATOM 0 HA LEU A 93 6.305 11.636 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.403 11.516 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.539 10.776 5.515 1.00 0.00 H new ATOM 0 HG LEU A 93 6.310 8.939 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.603 8.480 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.043 9.264 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.561 10.210 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.920 8.953 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.853 10.701 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.862 10.081 3.398 1.00 0.00 H new ATOM 1347 N CYS A 94 6.367 14.343 5.679 1.00 0.00 N ATOM 1348 CA CYS A 94 7.064 15.606 5.464 1.00 0.00 C ATOM 1349 C CYS A 94 8.343 15.392 4.661 1.00 0.00 C ATOM 1350 O CYS A 94 9.422 15.827 5.064 1.00 0.00 O ATOM 1351 CB CYS A 94 7.393 16.265 6.804 1.00 0.00 C ATOM 1352 SG CYS A 94 7.464 18.071 6.741 1.00 0.00 S ATOM 0 H CYS A 94 5.412 14.322 5.320 1.00 0.00 H new ATOM 0 HA CYS A 94 6.406 16.263 4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.643 15.967 7.537 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.352 15.886 7.157 1.00 0.00 H new ATOM 0 HG CYS A 94 7.746 18.536 7.922 1.00 0.00 H new ATOM 1358 N LEU A 95 8.215 14.717 3.524 1.00 0.00 N ATOM 1359 CA LEU A 95 9.361 14.442 2.664 1.00 0.00 C ATOM 1360 C LEU A 95 9.611 15.600 1.703 1.00 0.00 C ATOM 1361 O LEU A 95 8.705 16.362 1.362 1.00 0.00 O ATOM 1362 CB LEU A 95 9.136 13.151 1.877 1.00 0.00 C ATOM 1363 CG LEU A 95 7.840 13.075 1.069 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.073 13.546 -0.358 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.286 11.657 1.081 1.00 0.00 C ATOM 0 H LEU A 95 7.329 14.350 3.176 1.00 0.00 H new ATOM 0 HA LEU A 95 10.239 14.324 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.975 13.014 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.154 12.315 2.576 1.00 0.00 H new ATOM 0 HG LEU A 95 7.106 13.734 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.140 13.485 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.423 14.578 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.823 12.913 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.364 11.622 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.017 10.977 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.081 11.355 2.108 1.00 0.00 H new ATOM 1377 N PRO A 96 10.867 15.736 1.253 1.00 0.00 N ATOM 1378 CA PRO A 96 11.264 16.797 0.322 1.00 0.00 C ATOM 1379 C PRO A 96 10.682 16.592 -1.073 1.00 0.00 C ATOM 1380 O PRO A 96 10.187 15.517 -1.413 1.00 0.00 O ATOM 1381 CB PRO A 96 12.790 16.684 0.286 1.00 0.00 C ATOM 1382 CG PRO A 96 13.074 15.268 0.649 1.00 0.00 C ATOM 1383 CD PRO A 96 11.996 14.864 1.617 1.00 0.00 C ATOM 0 HA PRO A 96 10.902 17.775 0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.182 16.925 -0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.255 17.374 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.065 14.629 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.061 15.172 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.739 13.810 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.306 15.018 2.651 1.00 0.00 H new ATOM 1391 N PRO A 97 10.741 17.646 -1.900 1.00 0.00 N ATOM 1392 CA PRO A 97 10.226 17.606 -3.272 1.00 0.00 C ATOM 1393 C PRO A 97 11.068 16.719 -4.182 1.00 0.00 C ATOM 1394 O PRO A 97 10.740 16.524 -5.352 1.00 0.00 O ATOM 1395 CB PRO A 97 10.306 19.066 -3.724 1.00 0.00 C ATOM 1396 CG PRO A 97 11.385 19.663 -2.887 1.00 0.00 C ATOM 1397 CD PRO A 97 11.317 18.958 -1.561 1.00 0.00 C ATOM 0 HA PRO A 97 9.221 17.186 -3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.542 19.139 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.357 19.580 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.361 19.526 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.237 20.736 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.303 18.859 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.693 19.499 -0.850 1.00 0.00 H new ATOM 1405 N VAL A 98 12.156 16.183 -3.637 1.00 0.00 N ATOM 1406 CA VAL A 98 13.045 15.315 -4.400 1.00 0.00 C ATOM 1407 C VAL A 98 12.656 13.850 -4.237 1.00 0.00 C ATOM 1408 O VAL A 98 12.855 13.039 -5.142 1.00 0.00 O ATOM 1409 CB VAL A 98 14.513 15.496 -3.968 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.648 15.349 -2.460 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.407 14.501 -4.692 1.00 0.00 C ATOM 0 H VAL A 98 12.443 16.335 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 98 12.944 15.600 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 98 14.833 16.502 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.692 15.480 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.038 16.105 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.311 14.357 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.440 14.643 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.090 13.486 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.332 14.660 -5.768 1.00 0.00 H new ATOM 1421 N LYS A 99 12.100 13.517 -3.077 1.00 0.00 N ATOM 1422 CA LYS A 99 11.680 12.149 -2.795 1.00 0.00 C ATOM 1423 C LYS A 99 10.197 11.962 -3.098 1.00 0.00 C ATOM 1424 O LYS A 99 9.599 10.953 -2.722 1.00 0.00 O ATOM 1425 CB LYS A 99 11.960 11.800 -1.331 1.00 0.00 C ATOM 1426 CG LYS A 99 13.403 12.029 -0.917 1.00 0.00 C ATOM 1427 CD LYS A 99 14.342 11.051 -1.603 1.00 0.00 C ATOM 1428 CE LYS A 99 15.789 11.513 -1.515 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.592 11.045 -2.679 1.00 0.00 N ATOM 0 H LYS A 99 11.930 14.176 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 99 12.251 11.480 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.309 12.397 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.703 10.755 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.696 13.050 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.493 11.924 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.244 10.068 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.056 10.943 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.820 12.601 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.234 11.139 -0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.572 11.380 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.583 10.006 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.182 11.422 -3.557 1.00 0.00 H new ATOM 1443 N LEU A 100 9.610 12.938 -3.781 1.00 0.00 N ATOM 1444 CA LEU A 100 8.196 12.879 -4.137 1.00 0.00 C ATOM 1445 C LEU A 100 7.827 11.502 -4.678 1.00 0.00 C ATOM 1446 O LEU A 100 6.805 10.928 -4.300 1.00 0.00 O ATOM 1447 CB LEU A 100 7.866 13.953 -5.176 1.00 0.00 C ATOM 1448 CG LEU A 100 7.453 15.317 -4.623 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.411 16.353 -5.735 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.103 15.224 -3.926 1.00 0.00 C ATOM 0 H LEU A 100 10.090 13.780 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 100 7.612 13.063 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.738 14.091 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.061 13.582 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 100 8.196 15.631 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.115 17.318 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.398 16.440 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.689 16.045 -6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.825 16.204 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.349 14.888 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.167 14.513 -3.102 1.00 0.00 H new ATOM 1462 N HIS A 101 8.667 10.975 -5.564 1.00 0.00 N ATOM 1463 CA HIS A 101 8.431 9.663 -6.155 1.00 0.00 C ATOM 1464 C HIS A 101 7.861 8.696 -5.122 1.00 0.00 C ATOM 1465 O HIS A 101 6.969 7.903 -5.425 1.00 0.00 O ATOM 1466 CB HIS A 101 9.729 9.101 -6.736 1.00 0.00 C ATOM 1467 CG HIS A 101 10.737 8.723 -5.695 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.369 9.647 -4.890 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.220 7.513 -5.328 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.199 9.022 -4.074 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.127 7.726 -4.319 1.00 0.00 N ATOM 0 H HIS A 101 9.517 11.437 -5.888 1.00 0.00 H new ATOM 0 HA HIS A 101 7.703 9.779 -6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.497 8.224 -7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.169 9.841 -7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.944 6.558 -5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.829 9.491 -3.333 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.659 7.001 -3.837 1.00 0.00 H new ATOM 1479 N CYS A 102 8.383 8.767 -3.902 1.00 0.00 N ATOM 1480 CA CYS A 102 7.928 7.896 -2.824 1.00 0.00 C ATOM 1481 C CYS A 102 6.467 8.171 -2.483 1.00 0.00 C ATOM 1482 O CYS A 102 5.635 7.264 -2.494 1.00 0.00 O ATOM 1483 CB CYS A 102 8.799 8.090 -1.582 1.00 0.00 C ATOM 1484 SG CYS A 102 10.532 7.631 -1.817 1.00 0.00 S ATOM 0 H CYS A 102 9.121 9.418 -3.635 1.00 0.00 H new ATOM 0 HA CYS A 102 8.015 6.864 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.749 9.135 -1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.385 7.499 -0.765 1.00 0.00 H new ATOM 0 HG CYS A 102 10.783 7.520 -3.088 1.00 0.00 H new ATOM 1490 N SER A 103 6.162 9.429 -2.180 1.00 0.00 N ATOM 1491 CA SER A 103 4.802 9.823 -1.830 1.00 0.00 C ATOM 1492 C SER A 103 3.792 9.195 -2.785 1.00 0.00 C ATOM 1493 O SER A 103 2.835 8.550 -2.357 1.00 0.00 O ATOM 1494 CB SER A 103 4.667 11.347 -1.857 1.00 0.00 C ATOM 1495 OG SER A 103 4.669 11.835 -3.188 1.00 0.00 O ATOM 0 H SER A 103 6.838 10.193 -2.170 1.00 0.00 H new ATOM 0 HA SER A 103 4.594 9.465 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.743 11.642 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.488 11.798 -1.300 1.00 0.00 H new ATOM 0 HG SER A 103 5.570 11.753 -3.565 1.00 0.00 H new ATOM 1501 N MET A 104 4.013 9.388 -4.082 1.00 0.00 N ATOM 1502 CA MET A 104 3.123 8.839 -5.098 1.00 0.00 C ATOM 1503 C MET A 104 3.205 7.316 -5.128 1.00 0.00 C ATOM 1504 O MET A 104 2.183 6.630 -5.146 1.00 0.00 O ATOM 1505 CB MET A 104 3.475 9.407 -6.474 1.00 0.00 C ATOM 1506 CG MET A 104 4.918 9.160 -6.884 1.00 0.00 C ATOM 1507 SD MET A 104 5.371 10.033 -8.395 1.00 0.00 S ATOM 1508 CE MET A 104 5.281 11.734 -7.843 1.00 0.00 C ATOM 0 H MET A 104 4.800 9.920 -4.453 1.00 0.00 H new ATOM 0 HA MET A 104 2.102 9.125 -4.844 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.814 8.966 -7.220 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.285 10.480 -6.474 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.580 9.473 -6.076 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.073 8.091 -7.027 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.886 12.361 -8.497 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.245 12.072 -7.873 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.657 11.806 -6.822 1.00 0.00 H new ATOM 1518 N LEU A 105 4.427 6.794 -5.133 1.00 0.00 N ATOM 1519 CA LEU A 105 4.642 5.351 -5.161 1.00 0.00 C ATOM 1520 C LEU A 105 3.656 4.636 -4.242 1.00 0.00 C ATOM 1521 O LEU A 105 3.104 3.596 -4.598 1.00 0.00 O ATOM 1522 CB LEU A 105 6.076 5.022 -4.744 1.00 0.00 C ATOM 1523 CG LEU A 105 6.543 3.592 -5.019 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.815 3.395 -6.503 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.785 3.270 -4.200 1.00 0.00 C ATOM 0 H LEU A 105 5.283 7.348 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 105 4.478 5.003 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.749 5.708 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.177 5.217 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 105 5.749 2.907 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.146 2.372 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.902 3.584 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.592 4.088 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.103 2.249 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.585 3.961 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.557 3.370 -3.139 1.00 0.00 H new ATOM 1537 N ALA A 106 3.441 5.202 -3.059 1.00 0.00 N ATOM 1538 CA ALA A 106 2.519 4.621 -2.091 1.00 0.00 C ATOM 1539 C ALA A 106 1.090 4.624 -2.624 1.00 0.00 C ATOM 1540 O ALA A 106 0.396 3.608 -2.570 1.00 0.00 O ATOM 1541 CB ALA A 106 2.594 5.375 -0.772 1.00 0.00 C ATOM 0 H ALA A 106 3.893 6.062 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 106 2.814 3.585 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.900 4.930 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.608 5.317 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.328 6.419 -0.934 1.00 0.00 H new ATOM 1547 N GLU A 107 0.656 5.771 -3.136 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.692 5.905 -3.677 1.00 0.00 C ATOM 1549 C GLU A 107 -0.951 4.858 -4.757 1.00 0.00 C ATOM 1550 O GLU A 107 -1.962 4.158 -4.727 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.898 7.308 -4.250 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.316 7.566 -4.733 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.435 8.848 -5.533 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -2.327 9.936 -4.930 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -2.637 8.763 -6.763 1.00 0.00 O ATOM 0 H GLU A 107 1.218 6.621 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.400 5.746 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.643 8.044 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.208 7.457 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.645 6.727 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.985 7.615 -3.874 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.030 4.760 -5.709 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.157 3.799 -6.799 1.00 0.00 C ATOM 1564 C ASP A 108 -0.253 2.375 -6.261 1.00 0.00 C ATOM 1565 O ASP A 108 -1.040 1.567 -6.752 1.00 0.00 O ATOM 1566 CB ASP A 108 1.032 3.918 -7.753 1.00 0.00 C ATOM 1567 CG ASP A 108 0.919 5.117 -8.674 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.034 5.107 -9.555 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.715 6.065 -8.513 1.00 0.00 O ATOM 0 H ASP A 108 0.812 5.334 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.074 4.024 -7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.952 3.994 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.106 3.010 -8.351 1.00 0.00 H new ATOM 1574 N ALA A 109 0.553 2.076 -5.248 1.00 0.00 N ATOM 1575 CA ALA A 109 0.558 0.750 -4.642 1.00 0.00 C ATOM 1576 C ALA A 109 -0.824 0.383 -4.113 1.00 0.00 C ATOM 1577 O ALA A 109 -1.361 -0.677 -4.435 1.00 0.00 O ATOM 1578 CB ALA A 109 1.588 0.684 -3.524 1.00 0.00 C ATOM 0 H ALA A 109 1.211 2.734 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 109 0.827 0.027 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.581 -0.312 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.578 0.894 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.344 1.423 -2.761 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.394 1.265 -3.299 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.714 1.033 -2.726 1.00 0.00 C ATOM 1586 C ILE A 110 -3.732 0.693 -3.809 1.00 0.00 C ATOM 1587 O ILE A 110 -4.266 -0.416 -3.848 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.210 2.261 -1.939 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.255 2.574 -0.785 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.619 2.022 -1.418 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.436 3.962 -0.211 1.00 0.00 C ATOM 0 H ILE A 110 -0.962 2.147 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.617 0.189 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.233 3.120 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.402 1.840 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.228 2.465 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.956 2.898 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.292 1.842 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.621 1.154 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.727 4.115 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.260 4.704 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.452 4.069 0.169 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.995 1.653 -4.689 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.946 1.455 -5.776 1.00 0.00 C ATOM 1605 C LYS A 111 -4.720 0.110 -6.459 1.00 0.00 C ATOM 1606 O LYS A 111 -5.669 -0.623 -6.735 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.824 2.586 -6.800 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.609 3.831 -6.428 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.770 4.795 -5.605 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.590 5.986 -5.134 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.587 7.091 -6.132 1.00 0.00 N ATOM 0 H LYS A 111 -3.562 2.577 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.950 1.463 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.773 2.850 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.168 2.226 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.953 4.329 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.497 3.547 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.356 4.273 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.927 5.145 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.616 5.669 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.191 6.350 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.157 7.884 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.611 7.411 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.992 6.751 -7.028 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.458 -0.207 -6.727 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.108 -1.466 -7.375 1.00 0.00 C ATOM 1627 C ALA A 112 -3.637 -2.656 -6.582 1.00 0.00 C ATOM 1628 O ALA A 112 -4.161 -3.612 -7.155 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.599 -1.571 -7.544 1.00 0.00 C ATOM 0 H ALA A 112 -2.661 0.390 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.575 -1.482 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.352 -2.515 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.243 -0.744 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.120 -1.529 -6.566 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.497 -2.593 -5.262 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.962 -3.665 -4.392 1.00 0.00 C ATOM 1637 C ALA A 113 -5.454 -3.919 -4.582 1.00 0.00 C ATOM 1638 O ALA A 113 -5.858 -4.983 -5.052 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.663 -3.332 -2.938 1.00 0.00 C ATOM 0 H ALA A 113 -3.065 -1.810 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.428 -4.576 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.016 -4.142 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.588 -3.208 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.171 -2.407 -2.665 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.268 -2.935 -4.215 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.716 -3.052 -4.345 1.00 0.00 C ATOM 1647 C LEU A 114 -8.102 -3.501 -5.751 1.00 0.00 C ATOM 1648 O LEU A 114 -8.753 -4.530 -5.928 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.386 -1.716 -4.021 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.020 -1.089 -2.676 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.714 -2.170 -1.649 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.834 -0.148 -2.831 1.00 0.00 C ATOM 0 H LEU A 114 -5.950 -2.048 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.060 -3.805 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.136 -1.006 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.466 -1.858 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.873 -0.511 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.455 -1.705 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.590 -2.805 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.877 -2.775 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.588 0.289 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.975 -0.704 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.089 0.646 -3.533 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.694 -2.722 -6.747 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.994 -3.041 -8.138 1.00 0.00 C ATOM 1666 C ALA A 115 -7.763 -4.521 -8.423 1.00 0.00 C ATOM 1667 O ALA A 115 -8.706 -5.266 -8.689 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.150 -2.184 -9.070 1.00 0.00 C ATOM 0 H ALA A 115 -7.155 -1.866 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.047 -2.823 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.384 -2.433 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.367 -1.131 -8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.093 -2.374 -8.882 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.504 -4.941 -8.367 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.149 -6.332 -8.619 1.00 0.00 C ATOM 1676 C ASP A 116 -7.161 -7.276 -7.977 1.00 0.00 C ATOM 1677 O ASP A 116 -7.662 -8.197 -8.622 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.747 -6.629 -8.085 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.121 -7.843 -8.743 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.578 -7.699 -9.858 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -4.176 -8.937 -8.143 1.00 0.00 O ATOM 0 H ASP A 116 -5.712 -4.337 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.160 -6.494 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.108 -5.761 -8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.798 -6.789 -7.008 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.456 -7.041 -6.703 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.406 -7.871 -5.973 1.00 0.00 C ATOM 1688 C TYR A 117 -9.755 -7.912 -6.684 1.00 0.00 C ATOM 1689 O TYR A 117 -10.363 -8.972 -6.830 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.584 -7.346 -4.547 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.958 -7.607 -3.973 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.264 -8.825 -3.378 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.950 -6.636 -4.025 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.518 -9.068 -2.852 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.207 -6.869 -3.500 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.486 -8.087 -2.916 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.737 -8.325 -2.393 1.00 0.00 O ATOM 0 H TYR A 117 -7.051 -6.282 -6.155 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.007 -8.884 -5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.836 -7.808 -3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.393 -6.273 -4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.508 -9.595 -3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.735 -5.682 -4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.739 -10.020 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.966 -6.102 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.300 -7.533 -2.518 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.218 -6.747 -7.126 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.494 -6.646 -7.825 1.00 0.00 C ATOM 1709 C LYS A 118 -11.467 -7.444 -9.124 1.00 0.00 C ATOM 1710 O LYS A 118 -12.405 -8.181 -9.432 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.822 -5.181 -8.120 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.153 -4.370 -6.880 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.897 -2.888 -7.098 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.591 -2.176 -5.789 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.826 -1.669 -5.131 1.00 0.00 N ATOM 0 H LYS A 118 -9.728 -5.859 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.268 -7.062 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.973 -4.723 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.666 -5.138 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.198 -4.524 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.553 -4.724 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.062 -2.760 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.769 -2.432 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.076 -2.861 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.913 -1.344 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.567 -1.022 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.407 -1.162 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.367 -2.469 -4.745 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.387 -7.294 -9.883 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.238 -8.003 -11.150 1.00 0.00 C ATOM 1731 C LEU A 119 -10.543 -9.488 -10.982 1.00 0.00 C ATOM 1732 O LEU A 119 -11.293 -10.071 -11.765 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.820 -7.820 -11.695 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.256 -6.400 -11.633 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.942 -6.315 -12.394 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.261 -5.402 -12.188 1.00 0.00 C ATOM 0 H LEU A 119 -9.602 -6.688 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.951 -7.583 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.152 -8.480 -11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.806 -8.150 -12.734 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.065 -6.150 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.555 -5.297 -12.339 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.220 -7.002 -11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.108 -6.585 -13.437 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.842 -4.397 -12.136 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.484 -5.649 -13.226 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.178 -5.444 -11.600 1.00 0.00 H new ATOM 1748 N LYS A 120 -9.958 -10.094 -9.955 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.170 -11.511 -9.681 1.00 0.00 C ATOM 1750 C LYS A 120 -11.645 -11.801 -9.424 1.00 0.00 C ATOM 1751 O LYS A 120 -12.161 -12.842 -9.829 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.335 -11.948 -8.475 1.00 0.00 C ATOM 1753 CG LYS A 120 -7.908 -11.427 -8.502 1.00 0.00 C ATOM 1754 CD LYS A 120 -6.954 -12.380 -7.802 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.513 -13.506 -8.726 1.00 0.00 C ATOM 1756 NZ LYS A 120 -5.641 -14.489 -8.025 1.00 0.00 N ATOM 0 H LYS A 120 -9.333 -9.626 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 120 -9.855 -12.077 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -9.822 -11.603 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.315 -13.037 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -7.590 -11.286 -9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -7.867 -10.450 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.080 -11.830 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.439 -12.800 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.391 -14.017 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -5.977 -13.088 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.362 -15.240 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -4.791 -14.007 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.161 -14.907 -7.227 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.317 -10.874 -8.750 1.00 0.00 N ATOM 1771 CA GLN A 121 -13.733 -11.032 -8.440 1.00 0.00 C ATOM 1772 C GLN A 121 -14.574 -11.007 -9.712 1.00 0.00 C ATOM 1773 O GLN A 121 -15.604 -11.675 -9.798 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.195 -9.927 -7.488 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.428 -9.895 -6.175 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.543 -11.193 -5.401 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.636 -11.594 -4.998 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.414 -11.859 -5.189 1.00 0.00 N ATOM 0 H GLN A 121 -11.904 -10.006 -8.408 1.00 0.00 H new ATOM 0 HA GLN A 121 -13.867 -11.999 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.089 -8.963 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.256 -10.061 -7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.377 -9.689 -6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.801 -9.076 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.531 -11.490 -5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.430 -12.740 -4.674 1.00 0.00 H new