USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 576 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 89 HIS : no HD1:sc= -1.94! C(o=-2.8!,f=-4.5!) USER MOD Set 1.2: A 93 SER OG : rot -156:sc= -0.827 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.555 K(o=0.56,f=-5.1!) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0244 (180deg=-0.285) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -161:sc= -3.11 (180deg=-3.93!) USER MOD Single : A 44 SER OG : rot 16:sc= 0.399 USER MOD Single : A 46 HIS : no HE2:sc= -3.87 K(o=-3.9,f=-5.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -170:sc= -0.0802 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0472 K(o=-0.047,f=-1.8) USER MOD Single : A 66 SER OG : rot -99:sc= 0.232 USER MOD Single : A 67 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.12) USER MOD Single : A 68 CYS SG : rot 51:sc= -1.04 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl -134:sc= -0.416 (180deg=-1.38!) USER MOD Single : A 79 HIS : no HD1:sc= -8.44! C(o=-8.4!,f=-11!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -66:sc= 0.79 USER MOD Single : A 84 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.452) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= 0.541 F(o=-0.0018,f=0.54) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.313 -0.616 -12.073 1.00 0.00 N ATOM 312 CA ALA A 23 -4.509 -0.687 -11.243 1.00 0.00 C ATOM 313 C ALA A 23 -5.705 -0.057 -11.949 1.00 0.00 C ATOM 314 O ALA A 23 -5.563 0.928 -12.675 1.00 0.00 O ATOM 315 CB ALA A 23 -4.264 -0.005 -9.905 1.00 0.00 C ATOM 0 HA ALA A 23 -4.737 -1.738 -11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.165 -0.066 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.443 -0.502 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.008 1.041 -10.071 1.00 0.00 H new ATOM 321 N THR A 24 -6.884 -0.632 -11.732 1.00 0.00 N ATOM 322 CA THR A 24 -8.105 -0.128 -12.349 1.00 0.00 C ATOM 323 C THR A 24 -8.991 0.571 -11.324 1.00 0.00 C ATOM 324 O THR A 24 -8.708 0.549 -10.126 1.00 0.00 O ATOM 325 CB THR A 24 -8.906 -1.261 -13.016 1.00 0.00 C ATOM 326 OG1 THR A 24 -10.096 -0.734 -13.614 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.275 -2.333 -12.002 1.00 0.00 C ATOM 0 H THR A 24 -7.019 -1.447 -11.134 1.00 0.00 H new ATOM 0 HA THR A 24 -7.801 0.589 -13.111 1.00 0.00 H new ATOM 0 HB THR A 24 -8.281 -1.712 -13.787 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.599 -1.461 -14.038 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.840 -3.123 -12.497 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.367 -2.753 -11.570 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.883 -1.892 -11.212 1.00 0.00 H new ATOM 335 N VAL A 25 -10.066 1.190 -11.802 1.00 0.00 N ATOM 336 CA VAL A 25 -10.995 1.894 -10.927 1.00 0.00 C ATOM 337 C VAL A 25 -12.398 1.305 -11.027 1.00 0.00 C ATOM 338 O VAL A 25 -12.853 0.940 -12.110 1.00 0.00 O ATOM 339 CB VAL A 25 -11.055 3.396 -11.263 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.549 3.605 -12.687 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.943 4.129 -10.269 1.00 0.00 C ATOM 0 H VAL A 25 -10.315 1.218 -12.791 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.625 1.772 -9.909 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.049 3.808 -11.189 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.585 4.672 -12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.870 3.114 -13.384 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.547 3.179 -12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.974 5.189 -10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.951 3.717 -10.309 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.541 4.007 -9.263 1.00 0.00 H new ATOM 351 N GLY A 26 -13.079 1.217 -9.889 1.00 0.00 N ATOM 352 CA GLY A 26 -14.424 0.672 -9.870 1.00 0.00 C ATOM 353 C GLY A 26 -14.437 -0.843 -9.924 1.00 0.00 C ATOM 354 O GLY A 26 -15.195 -1.438 -10.690 1.00 0.00 O ATOM 0 H GLY A 26 -12.724 1.513 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.935 1.005 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.985 1.067 -10.717 1.00 0.00 H new ATOM 358 N SER A 27 -13.593 -1.470 -9.109 1.00 0.00 N ATOM 359 CA SER A 27 -13.507 -2.925 -9.071 1.00 0.00 C ATOM 360 C SER A 27 -12.608 -3.386 -7.927 1.00 0.00 C ATOM 361 O SER A 27 -11.795 -2.616 -7.414 1.00 0.00 O ATOM 362 CB SER A 27 -12.973 -3.460 -10.401 1.00 0.00 C ATOM 363 OG SER A 27 -13.474 -4.758 -10.667 1.00 0.00 O ATOM 0 H SER A 27 -12.960 -0.993 -8.467 1.00 0.00 H new ATOM 0 HA SER A 27 -14.509 -3.320 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.257 -2.785 -11.208 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.884 -3.486 -10.375 1.00 0.00 H new ATOM 0 HG SER A 27 -13.119 -5.076 -11.523 1.00 0.00 H new ATOM 369 N ILE A 28 -12.761 -4.646 -7.534 1.00 0.00 N ATOM 370 CA ILE A 28 -11.964 -5.210 -6.452 1.00 0.00 C ATOM 371 C ILE A 28 -10.532 -5.474 -6.905 1.00 0.00 C ATOM 372 O ILE A 28 -10.274 -6.398 -7.677 1.00 0.00 O ATOM 373 CB ILE A 28 -12.575 -6.523 -5.929 1.00 0.00 C ATOM 374 CG1 ILE A 28 -13.982 -6.274 -5.381 1.00 0.00 C ATOM 375 CG2 ILE A 28 -11.683 -7.132 -4.856 1.00 0.00 C ATOM 376 CD1 ILE A 28 -14.663 -7.525 -4.874 1.00 0.00 C ATOM 0 H ILE A 28 -13.429 -5.295 -7.949 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.959 -4.475 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.648 -7.228 -6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.924 -5.548 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.595 -5.829 -6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.128 -8.060 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.699 -7.341 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.582 -6.432 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.656 -7.273 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.753 -8.245 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.072 -7.960 -4.068 1.00 0.00 H new ATOM 388 N CYS A 29 -9.604 -4.657 -6.418 1.00 0.00 N ATOM 389 CA CYS A 29 -8.196 -4.802 -6.771 1.00 0.00 C ATOM 390 C CYS A 29 -7.468 -5.677 -5.755 1.00 0.00 C ATOM 391 O CYS A 29 -7.195 -5.247 -4.634 1.00 0.00 O ATOM 392 CB CYS A 29 -7.526 -3.430 -6.855 1.00 0.00 C ATOM 393 SG CYS A 29 -5.807 -3.482 -7.413 1.00 0.00 S ATOM 0 H CYS A 29 -9.801 -3.888 -5.778 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.139 -5.286 -7.746 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.099 -2.799 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.564 -2.958 -5.873 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.327 -2.274 -7.454 1.00 0.00 H new ATOM 399 N ASP A 30 -7.158 -6.905 -6.154 1.00 0.00 N ATOM 400 CA ASP A 30 -6.462 -7.841 -5.279 1.00 0.00 C ATOM 401 C ASP A 30 -5.026 -7.388 -5.031 1.00 0.00 C ATOM 402 O ASP A 30 -4.284 -7.100 -5.970 1.00 0.00 O ATOM 403 CB ASP A 30 -6.469 -9.244 -5.887 1.00 0.00 C ATOM 404 CG ASP A 30 -5.846 -10.276 -4.969 1.00 0.00 C ATOM 405 OD1 ASP A 30 -4.913 -9.919 -4.219 1.00 0.00 O ATOM 406 OD2 ASP A 30 -6.292 -11.442 -4.999 1.00 0.00 O ATOM 0 H ASP A 30 -7.378 -7.276 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.987 -7.865 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.495 -9.534 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.928 -9.230 -6.833 1.00 0.00 H new ATOM 411 N LEU A 31 -4.642 -7.326 -3.760 1.00 0.00 N ATOM 412 CA LEU A 31 -3.296 -6.906 -3.388 1.00 0.00 C ATOM 413 C LEU A 31 -2.614 -7.966 -2.528 1.00 0.00 C ATOM 414 O LEU A 31 -2.815 -8.019 -1.316 1.00 0.00 O ATOM 415 CB LEU A 31 -3.344 -5.576 -2.635 1.00 0.00 C ATOM 416 CG LEU A 31 -1.993 -4.973 -2.249 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.280 -4.431 -3.477 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.175 -3.878 -1.208 1.00 0.00 C ATOM 0 H LEU A 31 -5.244 -7.561 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.717 -6.777 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.880 -4.853 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.929 -5.717 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.377 -5.760 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.320 -4.006 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.115 -5.240 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.892 -3.658 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.203 -3.460 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.810 -3.091 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.643 -4.297 -0.317 1.00 0.00 H new ATOM 430 N ASN A 32 -1.805 -8.806 -3.165 1.00 0.00 N ATOM 431 CA ASN A 32 -1.091 -9.864 -2.458 1.00 0.00 C ATOM 432 C ASN A 32 0.166 -9.318 -1.788 1.00 0.00 C ATOM 433 O ASN A 32 1.031 -8.737 -2.444 1.00 0.00 O ATOM 434 CB ASN A 32 -0.719 -10.990 -3.424 1.00 0.00 C ATOM 435 CG ASN A 32 0.010 -10.481 -4.652 1.00 0.00 C ATOM 436 OD1 ASN A 32 -0.426 -9.526 -5.296 1.00 0.00 O ATOM 437 ND2 ASN A 32 1.127 -11.119 -4.984 1.00 0.00 N ATOM 0 H ASN A 32 -1.627 -8.775 -4.169 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.750 -10.260 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.091 -11.716 -2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.624 -11.514 -3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.660 -10.822 -5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.451 -11.906 -4.422 1.00 0.00 H new ATOM 444 N LEU A 33 0.260 -9.509 -0.476 1.00 0.00 N ATOM 445 CA LEU A 33 1.412 -9.036 0.284 1.00 0.00 C ATOM 446 C LEU A 33 2.039 -10.173 1.085 1.00 0.00 C ATOM 447 O LEU A 33 1.338 -11.040 1.607 1.00 0.00 O ATOM 448 CB LEU A 33 0.997 -7.903 1.225 1.00 0.00 C ATOM 449 CG LEU A 33 0.383 -6.670 0.560 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.575 -5.972 1.513 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.473 -5.714 0.100 1.00 0.00 C ATOM 0 H LEU A 33 -0.447 -9.987 0.083 1.00 0.00 H new ATOM 0 HA LEU A 33 2.153 -8.661 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.279 -8.299 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.874 -7.588 1.791 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.180 -6.994 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.002 -5.097 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.374 -6.658 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.036 -5.660 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.018 -4.843 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.064 -5.395 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.120 -6.218 -0.618 1.00 0.00 H new ATOM 463 N LYS A 34 3.364 -10.161 1.181 1.00 0.00 N ATOM 464 CA LYS A 34 4.087 -11.188 1.921 1.00 0.00 C ATOM 465 C LYS A 34 4.290 -10.771 3.374 1.00 0.00 C ATOM 466 O LYS A 34 5.284 -10.128 3.711 1.00 0.00 O ATOM 467 CB LYS A 34 5.442 -11.461 1.264 1.00 0.00 C ATOM 468 CG LYS A 34 6.407 -10.292 1.352 1.00 0.00 C ATOM 469 CD LYS A 34 7.395 -10.296 0.197 1.00 0.00 C ATOM 470 CE LYS A 34 8.567 -11.227 0.470 1.00 0.00 C ATOM 471 NZ LYS A 34 9.453 -10.702 1.545 1.00 0.00 N ATOM 0 H LYS A 34 3.959 -9.451 0.755 1.00 0.00 H new ATOM 0 HA LYS A 34 3.491 -12.100 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.896 -12.332 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.284 -11.713 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.848 -9.356 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.950 -10.337 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.887 -10.606 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.764 -9.284 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.191 -12.209 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.145 -11.361 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.381 -11.167 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.572 -9.676 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.025 -10.896 2.473 1.00 0.00 H new ATOM 485 N ILE A 35 3.343 -11.141 4.229 1.00 0.00 N ATOM 486 CA ILE A 35 3.420 -10.807 5.646 1.00 0.00 C ATOM 487 C ILE A 35 3.810 -12.025 6.478 1.00 0.00 C ATOM 488 O ILE A 35 3.335 -13.138 6.253 1.00 0.00 O ATOM 489 CB ILE A 35 2.082 -10.250 6.167 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.699 -8.983 5.399 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.172 -9.966 7.659 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.218 -8.678 5.438 1.00 0.00 C ATOM 0 H ILE A 35 2.513 -11.672 3.965 1.00 0.00 H new ATOM 0 HA ILE A 35 4.188 -10.040 5.748 1.00 0.00 H new ATOM 0 HB ILE A 35 1.306 -10.998 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.247 -8.137 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.013 -9.088 4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.219 -9.573 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.404 -10.888 8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.958 -9.233 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.019 -7.767 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.336 -9.507 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.098 -8.540 6.472 1.00 0.00 H new ATOM 504 N PRO A 36 4.694 -11.810 7.463 1.00 0.00 N ATOM 505 CA PRO A 36 5.165 -12.877 8.351 1.00 0.00 C ATOM 506 C PRO A 36 4.076 -13.364 9.301 1.00 0.00 C ATOM 507 O PRO A 36 2.893 -13.095 9.093 1.00 0.00 O ATOM 508 CB PRO A 36 6.300 -12.213 9.134 1.00 0.00 C ATOM 509 CG PRO A 36 5.977 -10.758 9.107 1.00 0.00 C ATOM 510 CD PRO A 36 5.301 -10.508 7.787 1.00 0.00 C ATOM 0 HA PRO A 36 5.474 -13.762 7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.349 -12.589 10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.268 -12.412 8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.324 -10.488 9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.881 -10.156 9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.550 -9.722 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.013 -10.195 7.023 1.00 0.00 H new ATOM 518 N GLU A 37 4.484 -14.081 10.343 1.00 0.00 N ATOM 519 CA GLU A 37 3.541 -14.605 11.325 1.00 0.00 C ATOM 520 C GLU A 37 2.514 -13.545 11.713 1.00 0.00 C ATOM 521 O GLU A 37 1.423 -13.866 12.184 1.00 0.00 O ATOM 522 CB GLU A 37 4.285 -15.091 12.570 1.00 0.00 C ATOM 523 CG GLU A 37 4.837 -13.964 13.427 1.00 0.00 C ATOM 524 CD GLU A 37 5.496 -14.467 14.698 1.00 0.00 C ATOM 525 OE1 GLU A 37 4.957 -15.410 15.313 1.00 0.00 O ATOM 526 OE2 GLU A 37 6.550 -13.915 15.076 1.00 0.00 O ATOM 0 H GLU A 37 5.460 -14.312 10.529 1.00 0.00 H new ATOM 0 HA GLU A 37 3.015 -15.446 10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.609 -15.698 13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.106 -15.738 12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.562 -13.393 12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.029 -13.281 13.687 1.00 0.00 H new ATOM 533 N ILE A 38 2.873 -12.281 11.512 1.00 0.00 N ATOM 534 CA ILE A 38 1.983 -11.174 11.841 1.00 0.00 C ATOM 535 C ILE A 38 0.545 -11.489 11.445 1.00 0.00 C ATOM 536 O ILE A 38 0.273 -11.874 10.309 1.00 0.00 O ATOM 537 CB ILE A 38 2.423 -9.873 11.144 1.00 0.00 C ATOM 538 CG1 ILE A 38 3.757 -9.388 11.715 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.353 -8.802 11.298 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.430 -8.334 10.865 1.00 0.00 C ATOM 0 H ILE A 38 3.773 -11.998 11.123 1.00 0.00 H new ATOM 0 HA ILE A 38 2.037 -11.035 12.921 1.00 0.00 H new ATOM 0 HB ILE A 38 2.557 -10.075 10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.591 -8.986 12.714 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.428 -10.240 11.822 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.678 -7.888 10.800 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.423 -9.149 10.848 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.190 -8.600 12.357 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.370 -8.037 11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.628 -8.739 9.873 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.778 -7.465 10.779 1.00 0.00 H new ATOM 552 N ASN A 39 -0.374 -11.321 12.391 1.00 0.00 N ATOM 553 CA ASN A 39 -1.786 -11.586 12.141 1.00 0.00 C ATOM 554 C ASN A 39 -2.512 -10.313 11.717 1.00 0.00 C ATOM 555 O ASN A 39 -1.985 -9.209 11.860 1.00 0.00 O ATOM 556 CB ASN A 39 -2.446 -12.170 13.392 1.00 0.00 C ATOM 557 CG ASN A 39 -1.787 -13.458 13.845 1.00 0.00 C ATOM 558 OD1 ASN A 39 -0.791 -13.438 14.567 1.00 0.00 O ATOM 559 ND2 ASN A 39 -2.343 -14.588 13.421 1.00 0.00 N ATOM 0 H ASN A 39 -0.166 -11.003 13.337 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.856 -12.310 11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.400 -11.438 14.199 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.501 -12.356 13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.944 -15.486 13.693 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.169 -14.557 12.823 1.00 0.00 H new ATOM 566 N SER A 40 -3.723 -10.474 11.195 1.00 0.00 N ATOM 567 CA SER A 40 -4.520 -9.338 10.747 1.00 0.00 C ATOM 568 C SER A 40 -5.083 -8.566 11.937 1.00 0.00 C ATOM 569 O SER A 40 -5.000 -7.339 11.989 1.00 0.00 O ATOM 570 CB SER A 40 -5.663 -9.813 9.847 1.00 0.00 C ATOM 571 OG SER A 40 -6.438 -10.810 10.490 1.00 0.00 O ATOM 0 H SER A 40 -4.174 -11.380 11.072 1.00 0.00 H new ATOM 0 HA SER A 40 -3.871 -8.672 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.298 -8.967 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.257 -10.208 8.916 1.00 0.00 H new ATOM 0 HG SER A 40 -7.163 -11.095 9.895 1.00 0.00 H new ATOM 577 N SER A 41 -5.655 -9.295 12.890 1.00 0.00 N ATOM 578 CA SER A 41 -6.235 -8.680 14.078 1.00 0.00 C ATOM 579 C SER A 41 -5.318 -7.592 14.629 1.00 0.00 C ATOM 580 O SER A 41 -5.782 -6.596 15.185 1.00 0.00 O ATOM 581 CB SER A 41 -6.493 -9.738 15.152 1.00 0.00 C ATOM 582 OG SER A 41 -7.070 -9.160 16.310 1.00 0.00 O ATOM 0 H SER A 41 -5.729 -10.312 12.863 1.00 0.00 H new ATOM 0 HA SER A 41 -7.183 -8.223 13.794 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.156 -10.507 14.757 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.556 -10.229 15.415 1.00 0.00 H new ATOM 0 HG SER A 41 -7.226 -9.857 16.980 1.00 0.00 H new ATOM 588 N ASP A 42 -4.014 -7.790 14.471 1.00 0.00 N ATOM 589 CA ASP A 42 -3.030 -6.827 14.951 1.00 0.00 C ATOM 590 C ASP A 42 -2.735 -5.775 13.886 1.00 0.00 C ATOM 591 O ASP A 42 -2.487 -4.612 14.201 1.00 0.00 O ATOM 592 CB ASP A 42 -1.739 -7.541 15.352 1.00 0.00 C ATOM 593 CG ASP A 42 -1.976 -8.633 16.378 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.876 -9.469 16.156 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.262 -8.650 17.402 1.00 0.00 O ATOM 0 H ASP A 42 -3.614 -8.609 14.014 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.445 -6.326 15.826 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.276 -7.974 14.465 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.035 -6.813 15.756 1.00 0.00 H new ATOM 600 N MET A 43 -2.761 -6.194 12.625 1.00 0.00 N ATOM 601 CA MET A 43 -2.496 -5.288 11.513 1.00 0.00 C ATOM 602 C MET A 43 -3.731 -4.456 11.184 1.00 0.00 C ATOM 603 O MET A 43 -4.830 -4.745 11.656 1.00 0.00 O ATOM 604 CB MET A 43 -2.053 -6.076 10.279 1.00 0.00 C ATOM 605 CG MET A 43 -0.594 -6.500 10.320 1.00 0.00 C ATOM 606 SD MET A 43 -0.087 -7.389 8.835 1.00 0.00 S ATOM 607 CE MET A 43 -1.396 -8.604 8.704 1.00 0.00 C ATOM 0 H MET A 43 -2.963 -7.155 12.348 1.00 0.00 H new ATOM 0 HA MET A 43 -1.694 -4.613 11.810 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.678 -6.964 10.181 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.221 -5.468 9.390 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.034 -5.617 10.442 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.428 -7.133 11.192 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.069 -9.424 8.064 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.635 -8.990 9.695 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.282 -8.139 8.273 1.00 0.00 H new ATOM 617 N SER A 44 -3.542 -3.421 10.371 1.00 0.00 N ATOM 618 CA SER A 44 -4.641 -2.545 9.981 1.00 0.00 C ATOM 619 C SER A 44 -4.387 -1.934 8.606 1.00 0.00 C ATOM 620 O SER A 44 -3.380 -1.261 8.390 1.00 0.00 O ATOM 621 CB SER A 44 -4.828 -1.436 11.018 1.00 0.00 C ATOM 622 OG SER A 44 -5.492 -1.922 12.171 1.00 0.00 O ATOM 0 H SER A 44 -2.639 -3.169 9.970 1.00 0.00 H new ATOM 0 HA SER A 44 -5.551 -3.143 9.931 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.857 -1.029 11.299 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.402 -0.619 10.581 1.00 0.00 H new ATOM 0 HG SER A 44 -5.472 -2.902 12.171 1.00 0.00 H new ATOM 628 N ALA A 45 -5.309 -2.175 7.680 1.00 0.00 N ATOM 629 CA ALA A 45 -5.188 -1.648 6.326 1.00 0.00 C ATOM 630 C ALA A 45 -6.293 -0.639 6.029 1.00 0.00 C ATOM 631 O ALA A 45 -7.469 -0.900 6.281 1.00 0.00 O ATOM 632 CB ALA A 45 -5.219 -2.782 5.313 1.00 0.00 C ATOM 0 H ALA A 45 -6.148 -2.732 7.843 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.231 -1.133 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.128 -2.373 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.390 -3.464 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.161 -3.323 5.401 1.00 0.00 H new ATOM 638 N HIS A 46 -5.906 0.513 5.492 1.00 0.00 N ATOM 639 CA HIS A 46 -6.865 1.562 5.160 1.00 0.00 C ATOM 640 C HIS A 46 -6.332 2.451 4.041 1.00 0.00 C ATOM 641 O HIS A 46 -5.252 3.032 4.156 1.00 0.00 O ATOM 642 CB HIS A 46 -7.176 2.407 6.395 1.00 0.00 C ATOM 643 CG HIS A 46 -7.798 1.628 7.513 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.062 0.902 8.425 1.00 0.00 N ATOM 645 CD2 HIS A 46 -9.095 1.466 7.864 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.880 0.326 9.288 1.00 0.00 C ATOM 647 NE2 HIS A 46 -9.119 0.652 8.970 1.00 0.00 N ATOM 0 H HIS A 46 -4.936 0.745 5.277 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.783 1.085 4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.254 2.866 6.752 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.847 3.218 6.111 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.045 0.822 8.432 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.952 1.897 7.367 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.585 -0.305 10.114 1.00 0.00 H new ATOM 655 N VAL A 47 -7.095 2.553 2.958 1.00 0.00 N ATOM 656 CA VAL A 47 -6.700 3.372 1.818 1.00 0.00 C ATOM 657 C VAL A 47 -7.087 4.831 2.029 1.00 0.00 C ATOM 658 O VAL A 47 -8.187 5.133 2.493 1.00 0.00 O ATOM 659 CB VAL A 47 -7.343 2.866 0.513 1.00 0.00 C ATOM 660 CG1 VAL A 47 -6.955 3.759 -0.655 1.00 0.00 C ATOM 661 CG2 VAL A 47 -6.942 1.422 0.247 1.00 0.00 C ATOM 0 H VAL A 47 -7.991 2.078 2.846 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.616 3.295 1.734 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.427 2.904 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.419 3.386 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.297 4.776 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.871 3.756 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.405 1.080 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.858 1.356 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.276 0.794 1.073 1.00 0.00 H new ATOM 671 N THR A 48 -6.175 5.736 1.685 1.00 0.00 N ATOM 672 CA THR A 48 -6.420 7.164 1.837 1.00 0.00 C ATOM 673 C THR A 48 -6.639 7.832 0.484 1.00 0.00 C ATOM 674 O THR A 48 -6.172 7.341 -0.543 1.00 0.00 O ATOM 675 CB THR A 48 -5.250 7.861 2.557 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.986 7.211 3.806 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.562 9.330 2.801 1.00 0.00 C ATOM 0 H THR A 48 -5.260 5.504 1.299 1.00 0.00 H new ATOM 0 HA THR A 48 -7.322 7.267 2.440 1.00 0.00 H new ATOM 0 HB THR A 48 -4.369 7.794 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.240 7.659 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.721 9.801 3.310 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.734 9.829 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.455 9.414 3.420 1.00 0.00 H new ATOM 685 N SER A 49 -7.350 8.954 0.492 1.00 0.00 N ATOM 686 CA SER A 49 -7.634 9.688 -0.736 1.00 0.00 C ATOM 687 C SER A 49 -6.866 11.006 -0.771 1.00 0.00 C ATOM 688 O SER A 49 -6.536 11.589 0.262 1.00 0.00 O ATOM 689 CB SER A 49 -9.135 9.956 -0.860 1.00 0.00 C ATOM 690 OG SER A 49 -9.889 8.816 -0.489 1.00 0.00 O ATOM 0 H SER A 49 -7.740 9.375 1.335 1.00 0.00 H new ATOM 0 HA SER A 49 -7.311 9.076 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.410 10.800 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.374 10.236 -1.886 1.00 0.00 H new ATOM 0 HG SER A 49 -10.830 8.955 -0.725 1.00 0.00 H new ATOM 696 N PRO A 50 -6.573 11.487 -1.988 1.00 0.00 N ATOM 697 CA PRO A 50 -5.841 12.741 -2.189 1.00 0.00 C ATOM 698 C PRO A 50 -6.665 13.963 -1.796 1.00 0.00 C ATOM 699 O PRO A 50 -6.198 15.097 -1.898 1.00 0.00 O ATOM 700 CB PRO A 50 -5.557 12.749 -3.693 1.00 0.00 C ATOM 701 CG PRO A 50 -6.630 11.903 -4.286 1.00 0.00 C ATOM 702 CD PRO A 50 -6.936 10.844 -3.263 1.00 0.00 C ATOM 0 HA PRO A 50 -4.944 12.793 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.584 13.762 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.568 12.345 -3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.516 12.497 -4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.301 11.456 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.987 10.557 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.355 9.938 -3.436 1.00 0.00 H new ATOM 710 N SER A 51 -7.893 13.723 -1.348 1.00 0.00 N ATOM 711 CA SER A 51 -8.784 14.804 -0.943 1.00 0.00 C ATOM 712 C SER A 51 -8.866 14.900 0.578 1.00 0.00 C ATOM 713 O SER A 51 -9.257 15.929 1.126 1.00 0.00 O ATOM 714 CB SER A 51 -10.181 14.589 -1.528 1.00 0.00 C ATOM 715 OG SER A 51 -10.989 13.826 -0.649 1.00 0.00 O ATOM 0 H SER A 51 -8.294 12.790 -1.256 1.00 0.00 H new ATOM 0 HA SER A 51 -8.377 15.739 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.653 15.554 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.102 14.080 -2.489 1.00 0.00 H new ATOM 0 HG SER A 51 -11.877 13.704 -1.044 1.00 0.00 H new ATOM 721 N GLY A 52 -8.493 13.817 1.254 1.00 0.00 N ATOM 722 CA GLY A 52 -8.531 13.799 2.704 1.00 0.00 C ATOM 723 C GLY A 52 -9.522 12.787 3.245 1.00 0.00 C ATOM 724 O GLY A 52 -10.023 12.934 4.359 1.00 0.00 O ATOM 0 H GLY A 52 -8.165 12.953 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.537 13.570 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.793 14.792 3.070 1.00 0.00 H new ATOM 728 N ARG A 53 -9.805 11.758 2.453 1.00 0.00 N ATOM 729 CA ARG A 53 -10.745 10.719 2.858 1.00 0.00 C ATOM 730 C ARG A 53 -10.012 9.424 3.195 1.00 0.00 C ATOM 731 O ARG A 53 -8.930 9.156 2.672 1.00 0.00 O ATOM 732 CB ARG A 53 -11.766 10.465 1.748 1.00 0.00 C ATOM 733 CG ARG A 53 -12.892 11.486 1.710 1.00 0.00 C ATOM 734 CD ARG A 53 -13.626 11.456 0.379 1.00 0.00 C ATOM 735 NE ARG A 53 -14.969 12.022 0.481 1.00 0.00 N ATOM 736 CZ ARG A 53 -15.875 11.944 -0.486 1.00 0.00 C ATOM 737 NH1 ARG A 53 -15.585 11.325 -1.623 1.00 0.00 N ATOM 738 NH2 ARG A 53 -17.076 12.484 -0.318 1.00 0.00 N ATOM 0 H ARG A 53 -9.397 11.621 1.528 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.267 11.064 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.253 10.467 0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.193 9.471 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.594 11.285 2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.486 12.483 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.054 12.013 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.692 10.427 0.025 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.225 12.504 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.664 10.907 -1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.283 11.267 -2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.304 12.960 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.771 12.423 -1.062 1.00 0.00 H new ATOM 752 N VAL A 54 -10.608 8.624 4.074 1.00 0.00 N ATOM 753 CA VAL A 54 -10.012 7.357 4.482 1.00 0.00 C ATOM 754 C VAL A 54 -11.039 6.231 4.448 1.00 0.00 C ATOM 755 O VAL A 54 -12.163 6.386 4.927 1.00 0.00 O ATOM 756 CB VAL A 54 -9.412 7.449 5.897 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.740 6.138 6.278 1.00 0.00 C ATOM 758 CG2 VAL A 54 -8.430 8.607 5.986 1.00 0.00 C ATOM 0 H VAL A 54 -11.503 8.831 4.517 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.215 7.138 3.772 1.00 0.00 H new ATOM 0 HB VAL A 54 -10.221 7.634 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.322 6.222 7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.475 5.333 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.942 5.919 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.016 8.656 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.623 8.456 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.946 9.540 5.760 1.00 0.00 H new ATOM 768 N THR A 55 -10.646 5.095 3.880 1.00 0.00 N ATOM 769 CA THR A 55 -11.532 3.942 3.784 1.00 0.00 C ATOM 770 C THR A 55 -10.985 2.761 4.576 1.00 0.00 C ATOM 771 O THR A 55 -9.866 2.809 5.086 1.00 0.00 O ATOM 772 CB THR A 55 -11.737 3.513 2.319 1.00 0.00 C ATOM 773 OG1 THR A 55 -10.469 3.307 1.687 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.527 4.563 1.552 1.00 0.00 C ATOM 0 H THR A 55 -9.719 4.949 3.479 1.00 0.00 H new ATOM 0 HA THR A 55 -12.491 4.244 4.204 1.00 0.00 H new ATOM 0 HB THR A 55 -12.302 2.581 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.608 3.033 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.659 4.237 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.503 4.696 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.986 5.509 1.568 1.00 0.00 H new ATOM 782 N GLU A 56 -11.782 1.701 4.675 1.00 0.00 N ATOM 783 CA GLU A 56 -11.376 0.507 5.407 1.00 0.00 C ATOM 784 C GLU A 56 -11.382 -0.717 4.496 1.00 0.00 C ATOM 785 O GLU A 56 -12.359 -0.977 3.794 1.00 0.00 O ATOM 786 CB GLU A 56 -12.304 0.273 6.601 1.00 0.00 C ATOM 787 CG GLU A 56 -11.869 -0.878 7.493 1.00 0.00 C ATOM 788 CD GLU A 56 -12.931 -1.264 8.505 1.00 0.00 C ATOM 789 OE1 GLU A 56 -14.131 -1.154 8.177 1.00 0.00 O ATOM 790 OE2 GLU A 56 -12.561 -1.675 9.625 1.00 0.00 O ATOM 0 H GLU A 56 -12.711 1.645 4.258 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.361 0.663 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.353 1.185 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.312 0.077 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.631 -1.743 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.955 -0.601 8.018 1.00 0.00 H new ATOM 797 N ALA A 57 -10.284 -1.466 4.513 1.00 0.00 N ATOM 798 CA ALA A 57 -10.162 -2.663 3.691 1.00 0.00 C ATOM 799 C ALA A 57 -10.130 -3.920 4.553 1.00 0.00 C ATOM 800 O ALA A 57 -9.884 -3.852 5.756 1.00 0.00 O ATOM 801 CB ALA A 57 -8.915 -2.583 2.823 1.00 0.00 C ATOM 0 H ALA A 57 -9.466 -1.264 5.088 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.038 -2.720 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.837 -3.484 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.980 -1.710 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.034 -2.497 3.459 1.00 0.00 H new ATOM 807 N GLU A 58 -10.381 -5.067 3.929 1.00 0.00 N ATOM 808 CA GLU A 58 -10.382 -6.339 4.641 1.00 0.00 C ATOM 809 C GLU A 58 -9.167 -7.179 4.256 1.00 0.00 C ATOM 810 O GLU A 58 -8.817 -7.280 3.080 1.00 0.00 O ATOM 811 CB GLU A 58 -11.667 -7.115 4.344 1.00 0.00 C ATOM 812 CG GLU A 58 -11.718 -8.483 5.002 1.00 0.00 C ATOM 813 CD GLU A 58 -12.922 -9.296 4.566 1.00 0.00 C ATOM 814 OE1 GLU A 58 -13.342 -9.156 3.399 1.00 0.00 O ATOM 815 OE2 GLU A 58 -13.444 -10.072 5.393 1.00 0.00 O ATOM 0 H GLU A 58 -10.586 -5.141 2.933 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.333 -6.128 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.522 -6.528 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.767 -7.236 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.807 -9.032 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.740 -8.361 6.085 1.00 0.00 H new ATOM 822 N ILE A 59 -8.530 -7.780 5.255 1.00 0.00 N ATOM 823 CA ILE A 59 -7.355 -8.611 5.022 1.00 0.00 C ATOM 824 C ILE A 59 -7.733 -10.086 4.944 1.00 0.00 C ATOM 825 O ILE A 59 -7.720 -10.795 5.950 1.00 0.00 O ATOM 826 CB ILE A 59 -6.301 -8.420 6.128 1.00 0.00 C ATOM 827 CG1 ILE A 59 -5.835 -6.963 6.173 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.121 -9.353 5.902 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.104 -6.601 7.447 1.00 0.00 C ATOM 0 H ILE A 59 -8.808 -7.707 6.234 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.929 -8.296 4.069 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.755 -8.666 7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.181 -6.773 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.700 -6.310 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.384 -9.206 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.467 -10.387 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.665 -9.136 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.803 -5.554 7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.762 -6.759 8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.219 -7.229 7.550 1.00 0.00 H new ATOM 841 N VAL A 60 -8.066 -10.543 3.741 1.00 0.00 N ATOM 842 CA VAL A 60 -8.445 -11.935 3.530 1.00 0.00 C ATOM 843 C VAL A 60 -7.318 -12.879 3.937 1.00 0.00 C ATOM 844 O VAL A 60 -6.201 -12.810 3.423 1.00 0.00 O ATOM 845 CB VAL A 60 -8.815 -12.200 2.059 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.267 -13.640 1.872 1.00 0.00 C ATOM 847 CG2 VAL A 60 -9.893 -11.230 1.598 1.00 0.00 C ATOM 0 H VAL A 60 -8.081 -9.969 2.898 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.318 -12.123 4.156 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.928 -12.041 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.524 -13.808 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.461 -14.315 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.140 -13.831 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.142 -11.431 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.783 -11.355 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.527 -10.208 1.692 1.00 0.00 H new ATOM 857 N PRO A 61 -7.615 -13.782 4.882 1.00 0.00 N ATOM 858 CA PRO A 61 -6.641 -14.758 5.379 1.00 0.00 C ATOM 859 C PRO A 61 -6.298 -15.817 4.336 1.00 0.00 C ATOM 860 O PRO A 61 -7.096 -16.713 4.062 1.00 0.00 O ATOM 861 CB PRO A 61 -7.354 -15.396 6.574 1.00 0.00 C ATOM 862 CG PRO A 61 -8.805 -15.221 6.285 1.00 0.00 C ATOM 863 CD PRO A 61 -8.926 -13.922 5.539 1.00 0.00 C ATOM 0 HA PRO A 61 -5.690 -14.290 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.094 -16.450 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.075 -14.909 7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.187 -16.050 5.689 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.386 -15.197 7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.738 -13.950 4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.129 -13.089 6.212 1.00 0.00 H new ATOM 871 N MET A 62 -5.106 -15.708 3.758 1.00 0.00 N ATOM 872 CA MET A 62 -4.658 -16.657 2.747 1.00 0.00 C ATOM 873 C MET A 62 -4.222 -17.971 3.389 1.00 0.00 C ATOM 874 O MET A 62 -4.766 -19.031 3.086 1.00 0.00 O ATOM 875 CB MET A 62 -3.503 -16.065 1.936 1.00 0.00 C ATOM 876 CG MET A 62 -3.957 -15.282 0.714 1.00 0.00 C ATOM 877 SD MET A 62 -2.708 -15.238 -0.585 1.00 0.00 S ATOM 878 CE MET A 62 -3.701 -15.634 -2.023 1.00 0.00 C ATOM 0 H MET A 62 -4.434 -14.972 3.973 1.00 0.00 H new ATOM 0 HA MET A 62 -5.495 -16.859 2.079 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.916 -15.410 2.580 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.843 -16.872 1.616 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.870 -15.728 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.203 -14.263 1.011 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.068 -15.645 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.158 -16.615 -1.891 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.482 -14.883 -2.144 1.00 0.00 H new ATOM 888 N GLY A 63 -3.236 -17.891 4.278 1.00 0.00 N ATOM 889 CA GLY A 63 -2.744 -19.081 4.948 1.00 0.00 C ATOM 890 C GLY A 63 -1.481 -18.818 5.743 1.00 0.00 C ATOM 891 O GLY A 63 -1.415 -17.865 6.521 1.00 0.00 O ATOM 0 H GLY A 63 -2.770 -17.024 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.516 -19.464 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.549 -19.857 4.208 1.00 0.00 H new ATOM 895 N LYS A 64 -0.476 -19.665 5.551 1.00 0.00 N ATOM 896 CA LYS A 64 0.792 -19.521 6.256 1.00 0.00 C ATOM 897 C LYS A 64 1.494 -18.227 5.855 1.00 0.00 C ATOM 898 O LYS A 64 1.796 -18.012 4.682 1.00 0.00 O ATOM 899 CB LYS A 64 1.701 -20.717 5.965 1.00 0.00 C ATOM 900 CG LYS A 64 2.757 -20.953 7.030 1.00 0.00 C ATOM 901 CD LYS A 64 2.248 -21.871 8.128 1.00 0.00 C ATOM 902 CE LYS A 64 3.090 -21.754 9.389 1.00 0.00 C ATOM 903 NZ LYS A 64 4.343 -22.554 9.296 1.00 0.00 N ATOM 0 H LYS A 64 -0.515 -20.459 4.912 1.00 0.00 H new ATOM 0 HA LYS A 64 0.582 -19.484 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.088 -21.613 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.194 -20.563 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.645 -21.389 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.058 -19.999 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.211 -21.625 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.260 -22.902 7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.340 -20.707 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.508 -22.090 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.889 -22.448 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.105 -23.557 9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.911 -22.217 8.493 1.00 0.00 H new ATOM 917 N ASN A 65 1.752 -17.370 6.838 1.00 0.00 N ATOM 918 CA ASN A 65 2.419 -16.098 6.587 1.00 0.00 C ATOM 919 C ASN A 65 2.004 -15.523 5.236 1.00 0.00 C ATOM 920 O ASN A 65 2.822 -14.952 4.515 1.00 0.00 O ATOM 921 CB ASN A 65 3.938 -16.277 6.632 1.00 0.00 C ATOM 922 CG ASN A 65 4.413 -16.857 7.950 1.00 0.00 C ATOM 923 OD1 ASN A 65 3.645 -16.964 8.906 1.00 0.00 O ATOM 924 ND2 ASN A 65 5.685 -17.234 8.007 1.00 0.00 N ATOM 0 H ASN A 65 1.509 -17.534 7.815 1.00 0.00 H new ATOM 0 HA ASN A 65 2.119 -15.399 7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.248 -16.931 5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.420 -15.313 6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.061 -17.631 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.286 -17.127 7.190 1.00 0.00 H new ATOM 931 N SER A 66 0.727 -15.678 4.901 1.00 0.00 N ATOM 932 CA SER A 66 0.203 -15.177 3.635 1.00 0.00 C ATOM 933 C SER A 66 -1.136 -14.476 3.841 1.00 0.00 C ATOM 934 O SER A 66 -1.998 -14.961 4.575 1.00 0.00 O ATOM 935 CB SER A 66 0.043 -16.324 2.636 1.00 0.00 C ATOM 936 OG SER A 66 0.187 -15.864 1.303 1.00 0.00 O ATOM 0 H SER A 66 0.036 -16.146 5.488 1.00 0.00 H new ATOM 0 HA SER A 66 0.914 -14.454 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.786 -17.095 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.937 -16.785 2.761 1.00 0.00 H new ATOM 0 HG SER A 66 -0.699 -15.735 0.904 1.00 0.00 H new ATOM 942 N HIS A 67 -1.304 -13.330 3.188 1.00 0.00 N ATOM 943 CA HIS A 67 -2.538 -12.561 3.298 1.00 0.00 C ATOM 944 C HIS A 67 -2.878 -11.886 1.973 1.00 0.00 C ATOM 945 O HIS A 67 -1.995 -11.626 1.154 1.00 0.00 O ATOM 946 CB HIS A 67 -2.412 -11.510 4.402 1.00 0.00 C ATOM 947 CG HIS A 67 -2.281 -12.096 5.774 1.00 0.00 C ATOM 948 ND1 HIS A 67 -3.364 -12.371 6.582 1.00 0.00 N ATOM 949 CD2 HIS A 67 -1.185 -12.460 6.480 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.940 -12.878 7.726 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.621 -12.943 7.689 1.00 0.00 N ATOM 0 H HIS A 67 -0.601 -12.914 2.577 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.344 -13.249 3.552 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.543 -10.884 4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.287 -10.860 4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.158 -12.385 6.153 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.565 -13.187 8.551 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.024 -13.295 8.437 1.00 0.00 H new ATOM 959 N CYS A 68 -4.160 -11.604 1.769 1.00 0.00 N ATOM 960 CA CYS A 68 -4.616 -10.961 0.543 1.00 0.00 C ATOM 961 C CYS A 68 -5.582 -9.822 0.853 1.00 0.00 C ATOM 962 O CYS A 68 -6.596 -10.019 1.522 1.00 0.00 O ATOM 963 CB CYS A 68 -5.290 -11.982 -0.374 1.00 0.00 C ATOM 964 SG CYS A 68 -5.818 -11.310 -1.967 1.00 0.00 S ATOM 0 H CYS A 68 -4.902 -11.811 2.438 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.745 -10.547 0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.600 -12.807 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.158 -12.397 0.138 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.825 -10.684 -2.524 1.00 0.00 H new ATOM 970 N VAL A 69 -5.259 -8.629 0.363 1.00 0.00 N ATOM 971 CA VAL A 69 -6.098 -7.458 0.589 1.00 0.00 C ATOM 972 C VAL A 69 -6.950 -7.148 -0.637 1.00 0.00 C ATOM 973 O VAL A 69 -6.429 -6.967 -1.738 1.00 0.00 O ATOM 974 CB VAL A 69 -5.251 -6.220 0.938 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.073 -4.949 0.783 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.695 -6.336 2.349 1.00 0.00 C ATOM 0 H VAL A 69 -4.423 -8.448 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.749 -7.693 1.431 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.412 -6.168 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.458 -4.085 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.418 -4.862 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.933 -4.988 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.099 -5.453 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.518 -6.413 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.069 -7.225 2.421 1.00 0.00 H new ATOM 986 N ARG A 70 -8.263 -7.087 -0.439 1.00 0.00 N ATOM 987 CA ARG A 70 -9.187 -6.800 -1.529 1.00 0.00 C ATOM 988 C ARG A 70 -10.020 -5.558 -1.222 1.00 0.00 C ATOM 989 O ARG A 70 -10.707 -5.495 -0.203 1.00 0.00 O ATOM 990 CB ARG A 70 -10.108 -7.997 -1.774 1.00 0.00 C ATOM 991 CG ARG A 70 -9.363 -9.294 -2.042 1.00 0.00 C ATOM 992 CD ARG A 70 -10.316 -10.474 -2.140 1.00 0.00 C ATOM 993 NE ARG A 70 -10.787 -10.685 -3.506 1.00 0.00 N ATOM 994 CZ ARG A 70 -10.039 -11.217 -4.467 1.00 0.00 C ATOM 995 NH1 ARG A 70 -8.792 -11.589 -4.212 1.00 0.00 N ATOM 996 NH2 ARG A 70 -10.538 -11.377 -5.686 1.00 0.00 N ATOM 0 H ARG A 70 -8.710 -7.233 0.466 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.601 -6.611 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.754 -8.131 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.756 -7.778 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.797 -9.205 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.642 -9.472 -1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.815 -11.375 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.170 -10.306 -1.484 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.742 -10.409 -3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.405 -11.467 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.220 -11.997 -4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.497 -11.092 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.963 -11.785 -6.423 1.00 0.00 H new ATOM 1010 N PHE A 71 -9.952 -4.572 -2.111 1.00 0.00 N ATOM 1011 CA PHE A 71 -10.698 -3.332 -1.934 1.00 0.00 C ATOM 1012 C PHE A 71 -10.875 -2.610 -3.267 1.00 0.00 C ATOM 1013 O PHE A 71 -10.228 -2.946 -4.259 1.00 0.00 O ATOM 1014 CB PHE A 71 -9.981 -2.418 -0.938 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.567 -2.096 -1.330 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.304 -1.299 -2.432 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -7.501 -2.589 -0.595 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -7.004 -1.002 -2.795 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.199 -2.295 -0.953 1.00 0.00 C ATOM 1020 CZ PHE A 71 -5.950 -1.499 -2.054 1.00 0.00 C ATOM 0 H PHE A 71 -9.388 -4.608 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.684 -3.583 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.543 -1.489 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.978 -2.894 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.124 -0.905 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.690 -3.210 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.812 -0.381 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.377 -2.687 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.934 -1.266 -2.335 1.00 0.00 H new ATOM 1030 N VAL A 72 -11.757 -1.616 -3.282 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.021 -0.845 -4.491 1.00 0.00 C ATOM 1032 C VAL A 72 -11.340 0.518 -4.433 1.00 0.00 C ATOM 1033 O VAL A 72 -11.870 1.481 -3.879 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.532 -0.644 -4.710 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -13.797 -0.040 -6.081 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.274 -1.961 -4.546 1.00 0.00 C ATOM 0 H VAL A 72 -12.301 -1.325 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.614 -1.416 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 72 -13.902 0.051 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -14.870 0.095 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.297 0.926 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.414 -0.707 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.340 -1.800 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -13.903 -2.681 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.111 -2.348 -3.540 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.137 0.604 -5.020 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.358 1.846 -5.050 1.00 0.00 C ATOM 1048 C PRO A 73 -9.984 2.901 -5.955 1.00 0.00 C ATOM 1049 O PRO A 73 -9.609 3.033 -7.120 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.003 1.401 -5.605 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.303 0.178 -6.401 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.445 -0.504 -5.700 1.00 0.00 C ATOM 0 HA PRO A 73 -9.299 2.314 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.555 2.177 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.297 1.188 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.572 0.436 -7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.432 -0.476 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.101 -1.016 -6.404 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.092 -1.253 -4.991 1.00 0.00 H new ATOM 1060 N GLN A 74 -10.938 3.650 -5.411 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.615 4.694 -6.171 1.00 0.00 C ATOM 1062 C GLN A 74 -11.394 6.062 -5.534 1.00 0.00 C ATOM 1063 O GLN A 74 -11.874 6.328 -4.432 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.113 4.397 -6.264 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.659 3.644 -5.061 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.162 3.778 -4.922 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.655 4.456 -4.019 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.901 3.133 -5.817 1.00 0.00 N ATOM 0 H GLN A 74 -11.259 3.553 -4.448 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.192 4.709 -7.175 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.655 5.336 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.304 3.814 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.399 2.589 -5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.180 4.017 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.451 2.583 -6.549 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.919 3.188 -5.773 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.665 6.925 -6.234 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.380 8.265 -5.735 1.00 0.00 C ATOM 1079 C GLU A 75 -10.371 9.280 -6.875 1.00 0.00 C ATOM 1080 O GLU A 75 -10.602 8.931 -8.032 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.035 8.287 -5.007 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.067 7.609 -3.647 1.00 0.00 C ATOM 1083 CD GLU A 75 -7.717 7.053 -3.240 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -6.721 7.804 -3.311 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -7.655 5.869 -2.850 1.00 0.00 O ATOM 0 H GLU A 75 -10.261 6.720 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.169 8.539 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.286 7.798 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.717 9.322 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.402 8.325 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.798 6.801 -3.665 1.00 0.00 H new ATOM 1092 N MET A 76 -10.102 10.537 -6.537 1.00 0.00 N ATOM 1093 CA MET A 76 -10.062 11.602 -7.532 1.00 0.00 C ATOM 1094 C MET A 76 -8.626 11.906 -7.946 1.00 0.00 C ATOM 1095 O MET A 76 -8.363 12.889 -8.638 1.00 0.00 O ATOM 1096 CB MET A 76 -10.725 12.867 -6.983 1.00 0.00 C ATOM 1097 CG MET A 76 -12.239 12.764 -6.881 1.00 0.00 C ATOM 1098 SD MET A 76 -13.075 13.292 -8.388 1.00 0.00 S ATOM 1099 CE MET A 76 -12.544 15.000 -8.489 1.00 0.00 C ATOM 0 H MET A 76 -9.909 10.842 -5.583 1.00 0.00 H new ATOM 0 HA MET A 76 -10.611 11.264 -8.411 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.316 13.082 -5.996 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.469 13.710 -7.625 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.515 11.733 -6.660 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.585 13.373 -6.046 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.402 15.635 -8.711 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.106 15.302 -7.538 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.801 15.104 -9.280 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.698 11.056 -7.516 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.300 11.252 -7.851 1.00 0.00 C ATOM 1111 C GLY A 77 -5.454 10.032 -7.545 1.00 0.00 C ATOM 1112 O GLY A 77 -5.800 8.915 -7.929 1.00 0.00 O ATOM 0 H GLY A 77 -7.890 10.235 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.214 11.494 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.913 12.107 -7.297 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.340 10.244 -6.852 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.441 9.153 -6.495 1.00 0.00 C ATOM 1118 C VAL A 78 -3.984 8.359 -5.312 1.00 0.00 C ATOM 1119 O VAL A 78 -4.713 8.891 -4.474 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.035 9.676 -6.145 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -2.078 10.521 -4.881 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.060 8.518 -5.990 1.00 0.00 C ATOM 0 H VAL A 78 -4.038 11.162 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.372 8.502 -7.366 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.687 10.307 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.076 10.881 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.743 11.371 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.446 9.917 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.072 8.905 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.402 7.859 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.007 7.959 -6.924 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.625 7.080 -5.250 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.075 6.211 -4.169 1.00 0.00 C ATOM 1134 C HIS A 79 -2.902 5.776 -3.297 1.00 0.00 C ATOM 1135 O HIS A 79 -1.852 5.377 -3.803 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.787 4.983 -4.737 1.00 0.00 C ATOM 1137 CG HIS A 79 -5.933 5.319 -5.640 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -5.878 6.322 -6.585 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.170 4.777 -5.741 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.032 6.384 -7.226 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -7.833 5.457 -6.733 1.00 0.00 N ATOM 0 H HIS A 79 -3.024 6.623 -5.936 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.774 6.774 -3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.067 4.378 -5.288 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.152 4.371 -3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.562 3.962 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.278 7.075 -8.018 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.789 5.276 -7.039 1.00 0.00 H new ATOM 1149 N THR A 80 -3.085 5.856 -1.983 1.00 0.00 N ATOM 1150 CA THR A 80 -2.042 5.473 -1.040 1.00 0.00 C ATOM 1151 C THR A 80 -2.581 4.519 0.019 1.00 0.00 C ATOM 1152 O THR A 80 -3.552 4.828 0.711 1.00 0.00 O ATOM 1153 CB THR A 80 -1.433 6.704 -0.344 1.00 0.00 C ATOM 1154 OG1 THR A 80 -0.923 7.618 -1.321 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.318 6.294 0.605 1.00 0.00 C ATOM 0 H THR A 80 -3.947 6.183 -1.547 1.00 0.00 H new ATOM 0 HA THR A 80 -1.265 4.970 -1.616 1.00 0.00 H new ATOM 0 HB THR A 80 -2.218 7.192 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.539 8.399 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.096 7.181 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.716 5.623 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.466 5.784 0.046 1.00 0.00 H new ATOM 1163 N VAL A 81 -1.946 3.357 0.142 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.361 2.358 1.120 1.00 0.00 C ATOM 1165 C VAL A 81 -1.638 2.554 2.447 1.00 0.00 C ATOM 1166 O VAL A 81 -0.454 2.888 2.477 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.097 0.930 0.609 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.696 -0.097 1.558 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -2.651 0.755 -0.797 1.00 0.00 C ATOM 0 H VAL A 81 -1.142 3.085 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.432 2.489 1.272 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.019 0.771 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.499 -1.100 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.246 0.014 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.772 0.059 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.455 -0.260 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.726 0.934 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.169 1.465 -1.469 1.00 0.00 H new ATOM 1179 N SER A 82 -2.358 2.344 3.544 1.00 0.00 N ATOM 1180 CA SER A 82 -1.786 2.500 4.876 1.00 0.00 C ATOM 1181 C SER A 82 -1.733 1.161 5.605 1.00 0.00 C ATOM 1182 O SER A 82 -2.755 0.647 6.059 1.00 0.00 O ATOM 1183 CB SER A 82 -2.603 3.505 5.691 1.00 0.00 C ATOM 1184 OG SER A 82 -3.765 2.899 6.230 1.00 0.00 O ATOM 0 H SER A 82 -3.339 2.065 3.537 1.00 0.00 H new ATOM 0 HA SER A 82 -0.768 2.874 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.991 3.907 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.888 4.346 5.058 1.00 0.00 H new ATOM 0 HG SER A 82 -4.371 2.649 5.502 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.532 0.601 5.714 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.343 -0.678 6.388 1.00 0.00 C ATOM 1192 C VAL A 83 0.671 -0.558 7.520 1.00 0.00 C ATOM 1193 O VAL A 83 1.861 -0.347 7.283 1.00 0.00 O ATOM 1194 CB VAL A 83 0.127 -1.767 5.406 1.00 0.00 C ATOM 1195 CG1 VAL A 83 0.182 -3.121 6.096 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.784 -1.815 4.189 1.00 0.00 C ATOM 0 H VAL A 83 0.325 1.013 5.344 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.311 -0.964 6.799 1.00 0.00 H new ATOM 0 HB VAL A 83 1.133 -1.518 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.516 -3.878 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.879 -3.075 6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.810 -3.382 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.437 -2.590 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.803 -2.039 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.766 -0.850 3.683 1.00 0.00 H new ATOM 1206 N LYS A 84 0.193 -0.694 8.753 1.00 0.00 N ATOM 1207 CA LYS A 84 1.057 -0.603 9.923 1.00 0.00 C ATOM 1208 C LYS A 84 0.784 -1.749 10.892 1.00 0.00 C ATOM 1209 O LYS A 84 -0.341 -2.240 10.986 1.00 0.00 O ATOM 1210 CB LYS A 84 0.851 0.738 10.632 1.00 0.00 C ATOM 1211 CG LYS A 84 1.251 1.938 9.792 1.00 0.00 C ATOM 1212 CD LYS A 84 1.293 3.211 10.621 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.065 3.895 10.662 1.00 0.00 C ATOM 1214 NZ LYS A 84 -0.902 3.400 11.790 1.00 0.00 N ATOM 0 H LYS A 84 -0.789 -0.868 8.967 1.00 0.00 H new ATOM 0 HA LYS A 84 2.091 -0.674 9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.198 0.834 10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.429 0.743 11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.230 1.761 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.544 2.060 8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.613 2.975 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.033 3.894 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.074 4.972 10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.587 3.723 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.849 3.155 11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.459 2.557 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.983 4.142 12.514 1.00 0.00 H new ATOM 1228 N TYR A 85 1.819 -2.169 11.611 1.00 0.00 N ATOM 1229 CA TYR A 85 1.690 -3.258 12.572 1.00 0.00 C ATOM 1230 C TYR A 85 2.053 -2.790 13.977 1.00 0.00 C ATOM 1231 O TYR A 85 3.230 -2.680 14.322 1.00 0.00 O ATOM 1232 CB TYR A 85 2.583 -4.432 12.166 1.00 0.00 C ATOM 1233 CG TYR A 85 2.763 -5.462 13.259 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.668 -6.105 13.822 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.028 -5.790 13.729 1.00 0.00 C ATOM 1236 CE1 TYR A 85 1.827 -7.046 14.821 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.198 -6.730 14.727 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.094 -7.355 15.270 1.00 0.00 C ATOM 1239 OH TYR A 85 3.259 -8.292 16.265 1.00 0.00 O ATOM 0 H TYR A 85 2.756 -1.772 11.547 1.00 0.00 H new ATOM 0 HA TYR A 85 0.650 -3.585 12.575 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.155 -4.917 11.288 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.561 -4.050 11.874 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.675 -5.865 13.473 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.894 -5.302 13.307 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.965 -7.537 15.248 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.189 -6.974 15.080 1.00 0.00 H new ATOM 0 HH TYR A 85 4.213 -8.393 16.464 1.00 0.00 H new ATOM 1249 N ARG A 86 1.034 -2.517 14.785 1.00 0.00 N ATOM 1250 CA ARG A 86 1.244 -2.061 16.153 1.00 0.00 C ATOM 1251 C ARG A 86 1.994 -0.732 16.174 1.00 0.00 C ATOM 1252 O ARG A 86 2.719 -0.431 17.122 1.00 0.00 O ATOM 1253 CB ARG A 86 2.022 -3.110 16.950 1.00 0.00 C ATOM 1254 CG ARG A 86 1.243 -4.393 17.190 1.00 0.00 C ATOM 1255 CD ARG A 86 2.002 -5.343 18.103 1.00 0.00 C ATOM 1256 NE ARG A 86 2.564 -4.655 19.263 1.00 0.00 N ATOM 1257 CZ ARG A 86 3.743 -4.043 19.254 1.00 0.00 C ATOM 1258 NH1 ARG A 86 4.480 -4.032 18.152 1.00 0.00 N ATOM 1259 NH2 ARG A 86 4.186 -3.439 20.349 1.00 0.00 N ATOM 0 H ARG A 86 0.054 -2.604 14.515 1.00 0.00 H new ATOM 0 HA ARG A 86 0.267 -1.915 16.614 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.943 -3.348 16.419 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.310 -2.684 17.911 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.276 -4.155 17.633 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.045 -4.883 16.237 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.332 -6.134 18.440 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.804 -5.822 17.542 1.00 0.00 H new ATOM 0 HE ARG A 86 2.022 -4.644 20.127 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.142 -4.494 17.308 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.385 -3.561 18.148 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.621 -3.444 21.198 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.091 -2.969 20.342 1.00 0.00 H new ATOM 1273 N GLY A 87 1.815 0.060 15.121 1.00 0.00 N ATOM 1274 CA GLY A 87 2.482 1.346 15.038 1.00 0.00 C ATOM 1275 C GLY A 87 3.810 1.265 14.312 1.00 0.00 C ATOM 1276 O GLY A 87 4.759 1.965 14.663 1.00 0.00 O ATOM 0 H GLY A 87 1.220 -0.166 14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.833 2.056 14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.644 1.733 16.044 1.00 0.00 H new ATOM 1280 N GLN A 88 3.877 0.408 13.298 1.00 0.00 N ATOM 1281 CA GLN A 88 5.101 0.236 12.523 1.00 0.00 C ATOM 1282 C GLN A 88 4.783 -0.032 11.056 1.00 0.00 C ATOM 1283 O GLN A 88 4.197 -1.061 10.715 1.00 0.00 O ATOM 1284 CB GLN A 88 5.935 -0.911 13.095 1.00 0.00 C ATOM 1285 CG GLN A 88 6.360 -0.694 14.538 1.00 0.00 C ATOM 1286 CD GLN A 88 7.589 0.185 14.658 1.00 0.00 C ATOM 1287 OE1 GLN A 88 8.740 -0.348 14.266 1.00 0.00 O flip ATOM 1288 NE2 GLN A 88 7.506 1.332 15.099 1.00 0.00 N flip ATOM 0 H GLN A 88 3.099 -0.178 12.994 1.00 0.00 H new ATOM 0 HA GLN A 88 5.675 1.160 12.588 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.360 -1.835 13.029 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.824 -1.045 12.479 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.538 -0.240 15.091 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.561 -1.659 15.003 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.601 1.703 15.389 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.342 1.911 15.174 1.00 0.00 H new ATOM 1297 N HIS A 89 5.172 0.899 10.191 1.00 0.00 N ATOM 1298 CA HIS A 89 4.928 0.762 8.760 1.00 0.00 C ATOM 1299 C HIS A 89 5.684 -0.435 8.192 1.00 0.00 C ATOM 1300 O HIS A 89 6.908 -0.515 8.296 1.00 0.00 O ATOM 1301 CB HIS A 89 5.343 2.038 8.026 1.00 0.00 C ATOM 1302 CG HIS A 89 4.297 3.109 8.047 1.00 0.00 C ATOM 1303 ND1 HIS A 89 3.131 3.037 7.314 1.00 0.00 N ATOM 1304 CD2 HIS A 89 4.244 4.282 8.720 1.00 0.00 C ATOM 1305 CE1 HIS A 89 2.408 4.120 7.534 1.00 0.00 C ATOM 1306 NE2 HIS A 89 3.061 4.892 8.384 1.00 0.00 N ATOM 0 H HIS A 89 5.657 1.756 10.456 1.00 0.00 H new ATOM 0 HA HIS A 89 3.861 0.598 8.612 1.00 0.00 H new ATOM 0 HB2 HIS A 89 6.257 2.425 8.477 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.578 1.791 6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.993 4.667 9.396 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.446 4.338 7.094 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.739 5.794 8.734 1.00 0.00 H new ATOM 1314 N VAL A 90 4.947 -1.364 7.591 1.00 0.00 N ATOM 1315 CA VAL A 90 5.548 -2.556 7.006 1.00 0.00 C ATOM 1316 C VAL A 90 6.500 -2.192 5.872 1.00 0.00 C ATOM 1317 O VAL A 90 6.612 -1.027 5.489 1.00 0.00 O ATOM 1318 CB VAL A 90 4.474 -3.521 6.470 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.547 -3.965 7.591 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.686 -2.868 5.344 1.00 0.00 C ATOM 0 H VAL A 90 3.933 -1.314 7.497 1.00 0.00 H new ATOM 0 HA VAL A 90 6.107 -3.051 7.801 1.00 0.00 H new ATOM 0 HB VAL A 90 4.972 -4.405 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.795 -4.646 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.126 -4.474 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.055 -3.094 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.931 -3.564 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.198 -1.967 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.363 -2.605 4.531 1.00 0.00 H new ATOM 1330 N THR A 91 7.186 -3.198 5.337 1.00 0.00 N ATOM 1331 CA THR A 91 8.130 -2.984 4.247 1.00 0.00 C ATOM 1332 C THR A 91 7.455 -2.306 3.060 1.00 0.00 C ATOM 1333 O THR A 91 6.415 -2.759 2.584 1.00 0.00 O ATOM 1334 CB THR A 91 8.756 -4.311 3.778 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.398 -4.966 4.877 1.00 0.00 O ATOM 1336 CG2 THR A 91 9.764 -4.070 2.665 1.00 0.00 C ATOM 0 H THR A 91 7.105 -4.168 5.641 1.00 0.00 H new ATOM 0 HA THR A 91 8.917 -2.336 4.633 1.00 0.00 H new ATOM 0 HB THR A 91 7.959 -4.947 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.792 -5.809 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.193 -5.021 2.350 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.265 -3.599 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.558 -3.417 3.028 1.00 0.00 H new ATOM 1344 N GLY A 92 8.054 -1.218 2.587 1.00 0.00 N ATOM 1345 CA GLY A 92 7.496 -0.496 1.458 1.00 0.00 C ATOM 1346 C GLY A 92 6.149 0.123 1.775 1.00 0.00 C ATOM 1347 O GLY A 92 5.259 0.156 0.926 1.00 0.00 O ATOM 0 H GLY A 92 8.915 -0.823 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.190 0.287 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.390 -1.175 0.612 1.00 0.00 H new ATOM 1351 N SER A 93 5.999 0.615 3.001 1.00 0.00 N ATOM 1352 CA SER A 93 4.748 1.230 3.429 1.00 0.00 C ATOM 1353 C SER A 93 4.991 2.639 3.963 1.00 0.00 C ATOM 1354 O SER A 93 5.995 2.917 4.620 1.00 0.00 O ATOM 1355 CB SER A 93 4.076 0.375 4.504 1.00 0.00 C ATOM 1356 OG SER A 93 2.666 0.497 4.445 1.00 0.00 O ATOM 0 H SER A 93 6.728 0.600 3.715 1.00 0.00 H new ATOM 0 HA SER A 93 4.089 1.296 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.360 -0.669 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.430 0.680 5.489 1.00 0.00 H new ATOM 0 HG SER A 93 2.282 0.279 5.320 1.00 0.00 H new ATOM 1362 N PRO A 94 4.051 3.551 3.673 1.00 0.00 N ATOM 1363 CA PRO A 94 2.853 3.232 2.891 1.00 0.00 C ATOM 1364 C PRO A 94 3.174 2.954 1.426 1.00 0.00 C ATOM 1365 O PRO A 94 4.285 3.215 0.964 1.00 0.00 O ATOM 1366 CB PRO A 94 1.998 4.494 3.021 1.00 0.00 C ATOM 1367 CG PRO A 94 2.974 5.587 3.289 1.00 0.00 C ATOM 1368 CD PRO A 94 4.085 4.964 4.087 1.00 0.00 C ATOM 0 HA PRO A 94 2.360 2.328 3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.431 4.684 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.275 4.401 3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.352 6.010 2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.506 6.401 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.047 5.425 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.920 5.073 5.159 1.00 0.00 H new ATOM 1376 N PHE A 95 2.195 2.424 0.701 1.00 0.00 N ATOM 1377 CA PHE A 95 2.374 2.111 -0.712 1.00 0.00 C ATOM 1378 C PHE A 95 1.684 3.150 -1.591 1.00 0.00 C ATOM 1379 O PHE A 95 0.719 3.790 -1.172 1.00 0.00 O ATOM 1380 CB PHE A 95 1.822 0.718 -1.021 1.00 0.00 C ATOM 1381 CG PHE A 95 2.581 -0.390 -0.349 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.694 -0.952 -0.953 1.00 0.00 C ATOM 1383 CD2 PHE A 95 2.181 -0.871 0.888 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.395 -1.971 -0.337 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.878 -1.889 1.509 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.986 -2.441 0.895 1.00 0.00 C ATOM 0 H PHE A 95 1.270 2.202 1.068 1.00 0.00 H new ATOM 0 HA PHE A 95 3.442 2.128 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.778 0.673 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.841 0.559 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.018 -0.589 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.314 -0.445 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.262 -2.399 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.557 -2.253 2.474 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.531 -3.239 1.378 1.00 0.00 H new ATOM 1396 N GLN A 96 2.186 3.312 -2.811 1.00 0.00 N ATOM 1397 CA GLN A 96 1.619 4.274 -3.748 1.00 0.00 C ATOM 1398 C GLN A 96 1.498 3.669 -5.143 1.00 0.00 C ATOM 1399 O GLN A 96 2.436 3.049 -5.645 1.00 0.00 O ATOM 1400 CB GLN A 96 2.481 5.537 -3.800 1.00 0.00 C ATOM 1401 CG GLN A 96 2.075 6.593 -2.785 1.00 0.00 C ATOM 1402 CD GLN A 96 3.090 7.713 -2.670 1.00 0.00 C ATOM 1403 OE1 GLN A 96 4.136 7.556 -2.039 1.00 0.00 O ATOM 1404 NE2 GLN A 96 2.787 8.852 -3.281 1.00 0.00 N ATOM 0 H GLN A 96 2.984 2.790 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 96 0.621 4.538 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.522 5.263 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.423 5.965 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.109 7.011 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.946 6.123 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.909 8.938 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.432 9.641 -3.239 1.00 0.00 H new ATOM 1413 N PHE A 97 0.338 3.853 -5.764 1.00 0.00 N ATOM 1414 CA PHE A 97 0.094 3.324 -7.101 1.00 0.00 C ATOM 1415 C PHE A 97 -0.984 4.132 -7.817 1.00 0.00 C ATOM 1416 O PHE A 97 -1.992 4.512 -7.220 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.323 1.853 -7.022 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.687 1.648 -6.429 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -1.859 1.600 -5.055 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.797 1.504 -7.245 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -3.114 1.410 -4.506 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -4.054 1.314 -6.702 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.213 1.268 -5.331 1.00 0.00 C ATOM 0 H PHE A 97 -0.448 4.364 -5.363 1.00 0.00 H new ATOM 0 HA PHE A 97 1.020 3.402 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.303 1.424 -8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.409 1.308 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.003 1.712 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.679 1.541 -8.318 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.235 1.373 -3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.911 1.202 -7.349 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.194 1.121 -4.905 1.00 0.00 H new ATOM 1433 N THR A 98 -0.764 4.392 -9.102 1.00 0.00 N ATOM 1434 CA THR A 98 -1.714 5.156 -9.901 1.00 0.00 C ATOM 1435 C THR A 98 -2.825 4.261 -10.438 1.00 0.00 C ATOM 1436 O THR A 98 -2.601 3.089 -10.741 1.00 0.00 O ATOM 1437 CB THR A 98 -1.018 5.857 -11.083 1.00 0.00 C ATOM 1438 OG1 THR A 98 -1.901 6.819 -11.670 1.00 0.00 O ATOM 1439 CG2 THR A 98 -0.589 4.846 -12.136 1.00 0.00 C ATOM 0 H THR A 98 0.064 4.084 -9.612 1.00 0.00 H new ATOM 0 HA THR A 98 -2.145 5.911 -9.244 1.00 0.00 H new ATOM 0 HB THR A 98 -0.129 6.363 -10.705 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.451 7.262 -12.420 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.100 5.365 -12.961 1.00 0.00 H new ATOM 0 HG22 THR A 98 0.106 4.132 -11.693 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.465 4.316 -12.510 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.025 4.821 -10.556 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.172 4.074 -11.059 1.00 0.00 C ATOM 1449 C VAL A 99 -5.622 4.606 -12.414 1.00 0.00 C ATOM 1450 O VAL A 99 -5.305 5.735 -12.786 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.356 4.135 -10.076 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.410 3.102 -10.445 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.874 3.930 -8.648 1.00 0.00 C ATOM 0 H VAL A 99 -4.228 5.790 -10.310 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.853 3.037 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.811 5.123 -10.143 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.239 3.160 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.776 3.300 -11.452 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.971 2.105 -10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.724 3.976 -7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.393 2.956 -8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.159 4.711 -8.390 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.365 3.784 -13.150 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.848 4.190 -14.456 1.00 0.00 C ATOM 1465 C GLY A 100 -8.296 4.638 -14.426 1.00 0.00 C ATOM 1466 O GLY A 100 -9.113 4.119 -13.664 1.00 0.00 O ATOM 0 H GLY A 100 -6.641 2.844 -12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.227 5.003 -14.833 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.743 3.359 -15.153 1.00 0.00 H new