USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 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 32 ASN : amide:sc= -0.0865 X(o=-0.18,f=-0.098) USER MOD Set 1.2: A 93 CYS SG : rot 52:sc= -0.0979 USER MOD Set 2.1: A 29 HIS : no HD1:sc= 0.348 K(o=0.88,f=-5.2!) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= -0.0468 USER MOD Set 2.3: A 64 GLN : amide:sc= 0.583 K(o=0.88,f=0.24) USER MOD Single : A 35 HIS : no HE2:sc= -0.772 K(o=-0.77,f=-4.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -161:sc= 0.721 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= -0.513 (180deg=-0.623) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.0605 USER MOD Single : A 59 MET CE :methyl -176:sc= -4.84! (180deg=-5.92!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 149:sc= -2.76! (180deg=-4.47!) USER MOD Single : A 71 THR OG1 : rot -91:sc= 1.15 USER MOD Single : A 76 MET CE :methyl -113:sc= -4.57! (180deg=-8.82!) USER MOD Single : A 78 MET CE :methyl 140:sc= -2.37! (180deg=-4.16!) USER MOD Single : A 81 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-2.7!) USER MOD Single : A 82 CYS SG : rot -9:sc= 0.722 USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= -0.025 (180deg=-0.182) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.711 9.096 -9.152 1.00 0.00 N ATOM 356 CA GLY A 25 -7.480 8.925 -8.404 1.00 0.00 C ATOM 357 C GLY A 25 -7.392 7.569 -7.733 1.00 0.00 C ATOM 358 O GLY A 25 -8.054 7.325 -6.723 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.630 9.050 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.407 9.706 -7.648 1.00 0.00 H new ATOM 362 N ARG A 26 -6.577 6.683 -8.295 1.00 0.00 N ATOM 363 CA ARG A 26 -6.409 5.344 -7.746 1.00 0.00 C ATOM 364 C ARG A 26 -4.993 5.149 -7.212 1.00 0.00 C ATOM 365 O ARG A 26 -4.049 4.956 -7.979 1.00 0.00 O ATOM 366 CB ARG A 26 -6.711 4.290 -8.814 1.00 0.00 C ATOM 367 CG ARG A 26 -7.995 4.554 -9.583 1.00 0.00 C ATOM 368 CD ARG A 26 -7.775 4.458 -11.085 1.00 0.00 C ATOM 369 NE ARG A 26 -8.625 5.388 -11.824 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.706 5.416 -13.148 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.992 4.569 -13.878 1.00 0.00 N ATOM 372 NH2 ARG A 26 -9.503 6.291 -13.748 1.00 0.00 N ATOM 0 H ARG A 26 -6.023 6.869 -9.131 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.110 5.227 -6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.879 4.248 -9.517 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.777 3.311 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.757 3.836 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.373 5.545 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.729 4.665 -11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.978 3.440 -11.417 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.187 6.053 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.379 3.894 -13.422 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.056 4.593 -14.896 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.055 6.944 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.564 6.311 -14.766 1.00 0.00 H new ATOM 386 N VAL A 27 -4.852 5.200 -5.891 1.00 0.00 N ATOM 387 CA VAL A 27 -3.553 5.029 -5.253 1.00 0.00 C ATOM 388 C VAL A 27 -3.649 4.098 -4.050 1.00 0.00 C ATOM 389 O VAL A 27 -4.253 4.441 -3.033 1.00 0.00 O ATOM 390 CB VAL A 27 -2.969 6.380 -4.797 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.739 6.165 -3.928 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.636 7.249 -6.000 1.00 0.00 C ATOM 0 H VAL A 27 -5.623 5.359 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.891 4.588 -5.998 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.720 6.897 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.341 7.130 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.013 5.583 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.981 5.627 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.225 8.199 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.903 6.739 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.542 7.432 -6.578 1.00 0.00 H new ATOM 402 N ILE A 28 -3.049 2.918 -4.173 1.00 0.00 N ATOM 403 CA ILE A 28 -3.067 1.938 -3.094 1.00 0.00 C ATOM 404 C ILE A 28 -2.086 2.317 -1.990 1.00 0.00 C ATOM 405 O ILE A 28 -0.885 2.449 -2.230 1.00 0.00 O ATOM 406 CB ILE A 28 -2.721 0.528 -3.609 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.828 0.015 -4.535 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.515 -0.426 -2.442 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.017 -0.555 -3.797 1.00 0.00 C ATOM 0 H ILE A 28 -2.545 2.618 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.080 1.932 -2.691 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.792 0.581 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.164 0.832 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.416 -0.752 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.271 -1.418 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.698 -0.066 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.428 -0.479 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.761 -0.899 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.694 -1.393 -3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.455 0.215 -3.162 1.00 0.00 H new ATOM 421 N HIS A 29 -2.605 2.491 -0.778 1.00 0.00 N ATOM 422 CA HIS A 29 -1.774 2.853 0.365 1.00 0.00 C ATOM 423 C HIS A 29 -1.313 1.608 1.116 1.00 0.00 C ATOM 424 O HIS A 29 -2.117 0.912 1.738 1.00 0.00 O ATOM 425 CB HIS A 29 -2.543 3.778 1.308 1.00 0.00 C ATOM 426 CG HIS A 29 -1.662 4.692 2.102 1.00 0.00 C ATOM 427 ND1 HIS A 29 -2.106 5.876 2.652 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.354 4.591 2.437 1.00 0.00 C ATOM 429 CE1 HIS A 29 -1.110 6.463 3.290 1.00 0.00 C ATOM 430 NE2 HIS A 29 -0.036 5.703 3.176 1.00 0.00 N ATOM 0 H HIS A 29 -3.597 2.387 -0.562 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.894 3.377 -0.007 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.243 4.377 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.136 3.173 1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.315 3.785 2.172 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.164 7.405 3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.881 5.909 3.573 1.00 0.00 H new ATOM 438 N LEU A 30 -0.014 1.334 1.057 1.00 0.00 N ATOM 439 CA LEU A 30 0.555 0.173 1.732 1.00 0.00 C ATOM 440 C LEU A 30 1.398 0.598 2.930 1.00 0.00 C ATOM 441 O LEU A 30 2.511 1.100 2.771 1.00 0.00 O ATOM 442 CB LEU A 30 1.406 -0.642 0.758 1.00 0.00 C ATOM 443 CG LEU A 30 0.666 -1.251 -0.434 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.623 -1.493 -1.591 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.021 -2.547 -0.028 1.00 0.00 C ATOM 0 H LEU A 30 0.665 1.900 0.548 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.267 -0.446 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.201 -0.001 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.885 -1.449 1.313 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.097 -0.545 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.078 -1.927 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.069 -0.547 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.409 -2.179 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.543 -2.967 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.725 -3.258 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.738 -2.345 0.768 1.00 0.00 H new ATOM 457 N SER A 31 0.862 0.392 4.128 1.00 0.00 N ATOM 458 CA SER A 31 1.564 0.755 5.354 1.00 0.00 C ATOM 459 C SER A 31 1.971 -0.490 6.135 1.00 0.00 C ATOM 460 O SER A 31 1.361 -1.550 5.998 1.00 0.00 O ATOM 461 CB SER A 31 0.683 1.653 6.224 1.00 0.00 C ATOM 462 OG SER A 31 0.344 2.848 5.544 1.00 0.00 O ATOM 0 H SER A 31 -0.057 -0.025 4.276 1.00 0.00 H new ATOM 0 HA SER A 31 2.467 1.301 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.226 1.118 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.206 1.894 7.150 1.00 0.00 H new ATOM 0 HG SER A 31 -0.221 3.404 6.121 1.00 0.00 H new ATOM 468 N ASN A 32 3.008 -0.353 6.955 1.00 0.00 N ATOM 469 CA ASN A 32 3.499 -1.466 7.759 1.00 0.00 C ATOM 470 C ASN A 32 4.217 -2.492 6.888 1.00 0.00 C ATOM 471 O ASN A 32 3.927 -3.687 6.948 1.00 0.00 O ATOM 472 CB ASN A 32 2.342 -2.134 8.503 1.00 0.00 C ATOM 473 CG ASN A 32 2.810 -2.934 9.704 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.102 -2.373 10.761 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.885 -4.250 9.546 1.00 0.00 N ATOM 0 H ASN A 32 3.524 0.518 7.080 1.00 0.00 H new ATOM 0 HA ASN A 32 4.210 -1.071 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.636 -1.371 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.805 -2.791 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.195 -4.840 10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.633 -4.672 8.652 1.00 0.00 H new ATOM 482 N LEU A 33 5.157 -2.018 6.078 1.00 0.00 N ATOM 483 CA LEU A 33 5.918 -2.893 5.193 1.00 0.00 C ATOM 484 C LEU A 33 7.231 -3.316 5.844 1.00 0.00 C ATOM 485 O LEU A 33 7.827 -2.582 6.632 1.00 0.00 O ATOM 486 CB LEU A 33 6.199 -2.189 3.864 1.00 0.00 C ATOM 487 CG LEU A 33 4.980 -1.900 2.987 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.314 -0.855 1.935 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.480 -3.179 2.331 1.00 0.00 C ATOM 0 H LEU A 33 5.411 -1.032 6.016 1.00 0.00 H new ATOM 0 HA LEU A 33 5.322 -3.786 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.702 -1.245 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.896 -2.801 3.292 1.00 0.00 H new ATOM 0 HG LEU A 33 4.186 -1.506 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.434 -0.663 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.623 0.068 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.124 -1.220 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.612 -2.955 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.270 -3.602 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.199 -3.897 3.101 1.00 0.00 H new ATOM 501 N PRO A 34 7.697 -4.528 5.506 1.00 0.00 N ATOM 502 CA PRO A 34 8.946 -5.075 6.044 1.00 0.00 C ATOM 503 C PRO A 34 10.175 -4.347 5.510 1.00 0.00 C ATOM 504 O PRO A 34 10.068 -3.252 4.956 1.00 0.00 O ATOM 505 CB PRO A 34 8.934 -6.528 5.561 1.00 0.00 C ATOM 506 CG PRO A 34 8.083 -6.513 4.338 1.00 0.00 C ATOM 507 CD PRO A 34 7.039 -5.457 4.572 1.00 0.00 C ATOM 0 HA PRO A 34 9.003 -4.972 7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.941 -6.880 5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.525 -7.194 6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.677 -6.285 3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.622 -7.487 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.755 -4.960 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.129 -5.879 4.999 1.00 0.00 H new ATOM 515 N HIS A 35 11.341 -4.962 5.681 1.00 0.00 N ATOM 516 CA HIS A 35 12.591 -4.372 5.215 1.00 0.00 C ATOM 517 C HIS A 35 13.712 -5.407 5.211 1.00 0.00 C ATOM 518 O HIS A 35 14.814 -5.143 5.692 1.00 0.00 O ATOM 519 CB HIS A 35 12.979 -3.185 6.099 1.00 0.00 C ATOM 520 CG HIS A 35 13.845 -2.179 5.404 1.00 0.00 C ATOM 521 ND1 HIS A 35 15.210 -2.105 5.591 1.00 0.00 N ATOM 522 CD2 HIS A 35 13.535 -1.205 4.518 1.00 0.00 C ATOM 523 CE1 HIS A 35 15.700 -1.127 4.852 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.704 -0.565 4.190 1.00 0.00 N ATOM 0 H HIS A 35 11.446 -5.868 6.138 1.00 0.00 H new ATOM 0 HA HIS A 35 12.441 -4.022 4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.072 -2.692 6.449 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.502 -3.555 6.981 1.00 0.00 H new ATOM 0 HD1 HIS A 35 15.755 -2.711 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.550 -0.974 4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.739 -0.836 4.798 1.00 0.00 H new ATOM 532 N SER A 36 13.422 -6.583 4.666 1.00 0.00 N ATOM 533 CA SER A 36 14.404 -7.659 4.603 1.00 0.00 C ATOM 534 C SER A 36 15.283 -7.521 3.364 1.00 0.00 C ATOM 535 O SER A 36 15.916 -8.482 2.927 1.00 0.00 O ATOM 536 CB SER A 36 13.702 -9.019 4.594 1.00 0.00 C ATOM 537 OG SER A 36 13.077 -9.277 5.839 1.00 0.00 O ATOM 0 H SER A 36 12.515 -6.816 4.261 1.00 0.00 H new ATOM 0 HA SER A 36 15.038 -7.590 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.958 -9.043 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.426 -9.804 4.377 1.00 0.00 H new ATOM 0 HG SER A 36 12.634 -10.151 5.808 1.00 0.00 H new ATOM 543 N GLY A 37 15.317 -6.316 2.802 1.00 0.00 N ATOM 544 CA GLY A 37 16.121 -6.073 1.618 1.00 0.00 C ATOM 545 C GLY A 37 15.515 -6.680 0.369 1.00 0.00 C ATOM 546 O GLY A 37 16.226 -7.233 -0.469 1.00 0.00 O ATOM 0 H GLY A 37 14.803 -5.505 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.237 -4.999 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.119 -6.484 1.770 1.00 0.00 H new ATOM 550 N TYR A 38 14.196 -6.580 0.245 1.00 0.00 N ATOM 551 CA TYR A 38 13.493 -7.128 -0.908 1.00 0.00 C ATOM 552 C TYR A 38 13.403 -6.099 -2.031 1.00 0.00 C ATOM 553 O TYR A 38 13.723 -4.926 -1.840 1.00 0.00 O ATOM 554 CB TYR A 38 12.089 -7.586 -0.507 1.00 0.00 C ATOM 555 CG TYR A 38 11.293 -6.528 0.224 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.523 -5.605 -0.472 1.00 0.00 C ATOM 557 CD2 TYR A 38 11.312 -6.450 1.612 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.795 -4.636 0.190 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.586 -5.486 2.283 1.00 0.00 C ATOM 560 CZ TYR A 38 9.829 -4.580 1.568 1.00 0.00 C ATOM 561 OH TYR A 38 9.106 -3.618 2.234 1.00 0.00 O ATOM 0 H TYR A 38 13.592 -6.124 0.929 1.00 0.00 H new ATOM 0 HA TYR A 38 14.058 -7.987 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.544 -7.885 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.171 -8.469 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.493 -5.646 -1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.905 -7.156 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.202 -3.926 -0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.610 -5.441 3.362 1.00 0.00 H new ATOM 0 HH TYR A 38 9.453 -3.520 3.145 1.00 0.00 H new ATOM 571 N SER A 39 12.964 -6.548 -3.202 1.00 0.00 N ATOM 572 CA SER A 39 12.833 -5.668 -4.357 1.00 0.00 C ATOM 573 C SER A 39 11.433 -5.067 -4.427 1.00 0.00 C ATOM 574 O SER A 39 10.494 -5.576 -3.813 1.00 0.00 O ATOM 575 CB SER A 39 13.135 -6.436 -5.647 1.00 0.00 C ATOM 576 OG SER A 39 13.611 -5.566 -6.659 1.00 0.00 O ATOM 0 H SER A 39 12.693 -7.516 -3.376 1.00 0.00 H new ATOM 0 HA SER A 39 13.553 -4.857 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.878 -7.209 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.233 -6.942 -5.992 1.00 0.00 H new ATOM 0 HG SER A 39 13.798 -6.081 -7.472 1.00 0.00 H new ATOM 582 N ASP A 40 11.300 -3.979 -5.178 1.00 0.00 N ATOM 583 CA ASP A 40 10.014 -3.307 -5.330 1.00 0.00 C ATOM 584 C ASP A 40 8.941 -4.286 -5.795 1.00 0.00 C ATOM 585 O ASP A 40 7.818 -4.277 -5.290 1.00 0.00 O ATOM 586 CB ASP A 40 10.133 -2.152 -6.326 1.00 0.00 C ATOM 587 CG ASP A 40 10.823 -2.563 -7.610 1.00 0.00 C ATOM 588 OD1 ASP A 40 12.071 -2.625 -7.622 1.00 0.00 O ATOM 589 OD2 ASP A 40 10.116 -2.824 -8.606 1.00 0.00 O ATOM 0 H ASP A 40 12.067 -3.544 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 40 9.722 -2.910 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.138 -1.772 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.687 -1.334 -5.865 1.00 0.00 H new ATOM 594 N SER A 41 9.293 -5.129 -6.760 1.00 0.00 N ATOM 595 CA SER A 41 8.358 -6.111 -7.297 1.00 0.00 C ATOM 596 C SER A 41 7.634 -6.842 -6.171 1.00 0.00 C ATOM 597 O SER A 41 6.416 -7.019 -6.213 1.00 0.00 O ATOM 598 CB SER A 41 9.095 -7.117 -8.182 1.00 0.00 C ATOM 599 OG SER A 41 8.722 -6.969 -9.541 1.00 0.00 O ATOM 0 H SER A 41 10.219 -5.152 -7.186 1.00 0.00 H new ATOM 0 HA SER A 41 7.619 -5.582 -7.899 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.171 -6.977 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.873 -8.131 -7.849 1.00 0.00 H new ATOM 0 HG SER A 41 9.208 -7.622 -10.087 1.00 0.00 H new ATOM 605 N ALA A 42 8.391 -7.265 -5.165 1.00 0.00 N ATOM 606 CA ALA A 42 7.822 -7.975 -4.025 1.00 0.00 C ATOM 607 C ALA A 42 6.655 -7.201 -3.422 1.00 0.00 C ATOM 608 O ALA A 42 5.726 -7.790 -2.870 1.00 0.00 O ATOM 609 CB ALA A 42 8.891 -8.227 -2.972 1.00 0.00 C ATOM 0 H ALA A 42 9.401 -7.129 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 42 7.443 -8.934 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.452 -8.758 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.691 -8.829 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.297 -7.275 -2.631 1.00 0.00 H new ATOM 615 N VAL A 43 6.709 -5.878 -3.532 1.00 0.00 N ATOM 616 CA VAL A 43 5.656 -5.023 -2.998 1.00 0.00 C ATOM 617 C VAL A 43 4.492 -4.909 -3.976 1.00 0.00 C ATOM 618 O VAL A 43 3.360 -4.625 -3.582 1.00 0.00 O ATOM 619 CB VAL A 43 6.186 -3.611 -2.681 1.00 0.00 C ATOM 620 CG1 VAL A 43 5.034 -2.629 -2.534 1.00 0.00 C ATOM 621 CG2 VAL A 43 7.042 -3.634 -1.425 1.00 0.00 C ATOM 0 H VAL A 43 7.471 -5.375 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 43 5.308 -5.488 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 43 6.809 -3.280 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.427 -1.637 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.466 -2.593 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.382 -2.952 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.408 -2.629 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.444 -3.985 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.888 -4.305 -1.574 1.00 0.00 H new ATOM 631 N LEU A 44 4.776 -5.131 -5.254 1.00 0.00 N ATOM 632 CA LEU A 44 3.753 -5.055 -6.291 1.00 0.00 C ATOM 633 C LEU A 44 3.114 -6.420 -6.528 1.00 0.00 C ATOM 634 O LEU A 44 2.090 -6.531 -7.200 1.00 0.00 O ATOM 635 CB LEU A 44 4.357 -4.529 -7.594 1.00 0.00 C ATOM 636 CG LEU A 44 5.481 -3.502 -7.446 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.129 -3.225 -8.794 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.950 -2.215 -6.832 1.00 0.00 C ATOM 0 H LEU A 44 5.707 -5.365 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 44 2.979 -4.366 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.739 -5.377 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.559 -4.082 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 44 6.239 -3.913 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.926 -2.492 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.545 -4.150 -9.195 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.381 -2.834 -9.484 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.763 -1.496 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.173 -1.799 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.533 -2.427 -5.848 1.00 0.00 H new ATOM 650 N LYS A 45 3.727 -7.459 -5.969 1.00 0.00 N ATOM 651 CA LYS A 45 3.218 -8.817 -6.115 1.00 0.00 C ATOM 652 C LYS A 45 1.816 -8.939 -5.527 1.00 0.00 C ATOM 653 O LYS A 45 1.093 -9.895 -5.811 1.00 0.00 O ATOM 654 CB LYS A 45 4.158 -9.812 -5.431 1.00 0.00 C ATOM 655 CG LYS A 45 4.853 -10.756 -6.397 1.00 0.00 C ATOM 656 CD LYS A 45 5.665 -11.808 -5.662 1.00 0.00 C ATOM 657 CE LYS A 45 4.771 -12.876 -5.052 1.00 0.00 C ATOM 658 NZ LYS A 45 5.464 -14.190 -4.951 1.00 0.00 N ATOM 0 H LYS A 45 4.577 -7.386 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 45 3.167 -9.047 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.912 -9.260 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.590 -10.398 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.110 -11.244 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.507 -10.186 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.370 -12.272 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.253 -11.332 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.450 -12.558 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.872 -12.986 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.821 -14.890 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.748 -14.507 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.308 -14.092 -4.352 1.00 0.00 H new ATOM 672 N LEU A 46 1.436 -7.964 -4.708 1.00 0.00 N ATOM 673 CA LEU A 46 0.119 -7.962 -4.081 1.00 0.00 C ATOM 674 C LEU A 46 -0.873 -7.141 -4.900 1.00 0.00 C ATOM 675 O LEU A 46 -2.048 -7.038 -4.548 1.00 0.00 O ATOM 676 CB LEU A 46 0.209 -7.404 -2.660 1.00 0.00 C ATOM 677 CG LEU A 46 1.408 -6.499 -2.370 1.00 0.00 C ATOM 678 CD1 LEU A 46 1.148 -5.648 -1.137 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.672 -7.328 -2.192 1.00 0.00 C ATOM 0 H LEU A 46 2.021 -7.165 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.237 -8.991 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.703 -6.844 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.234 -8.242 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 46 1.551 -5.834 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.011 -5.011 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.268 -5.027 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.978 -6.296 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.514 -6.667 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.540 -8.018 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.868 -7.893 -3.103 1.00 0.00 H new ATOM 691 N ALA A 47 -0.391 -6.560 -5.993 1.00 0.00 N ATOM 692 CA ALA A 47 -1.235 -5.753 -6.865 1.00 0.00 C ATOM 693 C ALA A 47 -1.090 -6.181 -8.322 1.00 0.00 C ATOM 694 O ALA A 47 -1.760 -5.646 -9.204 1.00 0.00 O ATOM 695 CB ALA A 47 -0.895 -4.278 -6.711 1.00 0.00 C ATOM 0 H ALA A 47 0.580 -6.633 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.273 -5.909 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.533 -3.687 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.057 -3.973 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.149 -4.116 -6.977 1.00 0.00 H new ATOM 701 N GLU A 48 -0.212 -7.149 -8.564 1.00 0.00 N ATOM 702 CA GLU A 48 0.020 -7.648 -9.914 1.00 0.00 C ATOM 703 C GLU A 48 -1.247 -8.274 -10.489 1.00 0.00 C ATOM 704 O GLU A 48 -1.784 -7.830 -11.505 1.00 0.00 O ATOM 705 CB GLU A 48 1.155 -8.674 -9.915 1.00 0.00 C ATOM 706 CG GLU A 48 2.396 -8.209 -10.657 1.00 0.00 C ATOM 707 CD GLU A 48 2.461 -8.742 -12.076 1.00 0.00 C ATOM 708 OE1 GLU A 48 1.398 -9.106 -12.621 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.574 -8.793 -12.640 1.00 0.00 O ATOM 0 H GLU A 48 0.350 -7.603 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 48 0.303 -6.803 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.424 -8.906 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.797 -9.599 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.414 -7.119 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.283 -8.530 -10.111 1.00 0.00 H new ATOM 716 N PRO A 49 -1.738 -9.330 -9.825 1.00 0.00 N ATOM 717 CA PRO A 49 -2.948 -10.041 -10.250 1.00 0.00 C ATOM 718 C PRO A 49 -4.209 -9.207 -10.053 1.00 0.00 C ATOM 719 O PRO A 49 -5.314 -9.653 -10.365 1.00 0.00 O ATOM 720 CB PRO A 49 -2.974 -11.273 -9.342 1.00 0.00 C ATOM 721 CG PRO A 49 -2.212 -10.865 -8.129 1.00 0.00 C ATOM 722 CD PRO A 49 -1.150 -9.913 -8.607 1.00 0.00 C ATOM 0 HA PRO A 49 -2.928 -10.279 -11.313 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.996 -11.558 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.514 -12.133 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.866 -10.386 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.768 -11.731 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.930 -9.149 -7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.214 -10.429 -8.820 1.00 0.00 H new ATOM 730 N TYR A 50 -4.037 -7.996 -9.535 1.00 0.00 N ATOM 731 CA TYR A 50 -5.163 -7.100 -9.295 1.00 0.00 C ATOM 732 C TYR A 50 -5.353 -6.139 -10.464 1.00 0.00 C ATOM 733 O TYR A 50 -6.478 -5.795 -10.823 1.00 0.00 O ATOM 734 CB TYR A 50 -4.948 -6.314 -8.001 1.00 0.00 C ATOM 735 CG TYR A 50 -5.045 -7.161 -6.753 1.00 0.00 C ATOM 736 CD1 TYR A 50 -3.950 -7.882 -6.292 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.232 -7.242 -6.035 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.034 -8.658 -5.152 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.325 -8.015 -4.894 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.223 -8.721 -4.457 1.00 0.00 C ATOM 741 OH TYR A 50 -5.312 -9.494 -3.321 1.00 0.00 O ATOM 0 H TYR A 50 -3.129 -7.612 -9.273 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.064 -7.706 -9.198 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.967 -5.840 -8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.686 -5.514 -7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.017 -7.835 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.097 -6.691 -6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.173 -9.212 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.255 -8.066 -4.347 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.217 -9.428 -2.951 1.00 0.00 H new ATOM 751 N GLY A 51 -4.242 -5.708 -11.054 1.00 0.00 N ATOM 752 CA GLY A 51 -4.306 -4.790 -12.176 1.00 0.00 C ATOM 753 C GLY A 51 -2.933 -4.397 -12.683 1.00 0.00 C ATOM 754 O GLY A 51 -1.924 -4.643 -12.021 1.00 0.00 O ATOM 0 H GLY A 51 -3.299 -5.978 -10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.871 -5.251 -12.986 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.850 -3.894 -11.878 1.00 0.00 H new ATOM 758 N LYS A 52 -2.892 -3.786 -13.862 1.00 0.00 N ATOM 759 CA LYS A 52 -1.633 -3.358 -14.459 1.00 0.00 C ATOM 760 C LYS A 52 -1.013 -2.215 -13.662 1.00 0.00 C ATOM 761 O LYS A 52 -1.611 -1.147 -13.523 1.00 0.00 O ATOM 762 CB LYS A 52 -1.854 -2.921 -15.909 1.00 0.00 C ATOM 763 CG LYS A 52 -1.522 -3.998 -16.926 1.00 0.00 C ATOM 764 CD LYS A 52 -0.385 -3.574 -17.839 1.00 0.00 C ATOM 765 CE LYS A 52 -0.090 -4.631 -18.892 1.00 0.00 C ATOM 766 NZ LYS A 52 1.208 -5.316 -18.641 1.00 0.00 N ATOM 0 H LYS A 52 -3.717 -3.576 -14.423 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.946 -4.204 -14.442 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.895 -2.623 -16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.243 -2.041 -16.112 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.249 -4.917 -16.407 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.406 -4.220 -17.524 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.641 -2.634 -18.328 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.511 -3.391 -17.245 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.893 -5.368 -18.902 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.071 -4.166 -19.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.373 -6.029 -19.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.978 -4.617 -18.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.181 -5.781 -17.711 1.00 0.00 H new ATOM 780 N ILE A 53 0.187 -2.445 -13.141 1.00 0.00 N ATOM 781 CA ILE A 53 0.888 -1.433 -12.361 1.00 0.00 C ATOM 782 C ILE A 53 1.372 -0.291 -13.247 1.00 0.00 C ATOM 783 O ILE A 53 2.456 -0.357 -13.828 1.00 0.00 O ATOM 784 CB ILE A 53 2.094 -2.033 -11.612 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.623 -3.072 -10.593 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.892 -0.934 -10.928 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.498 -4.304 -10.538 1.00 0.00 C ATOM 0 H ILE A 53 0.694 -3.324 -13.245 1.00 0.00 H new ATOM 0 HA ILE A 53 0.174 -1.047 -11.634 1.00 0.00 H new ATOM 0 HB ILE A 53 2.742 -2.529 -12.334 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.594 -2.613 -9.605 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.603 -3.371 -10.836 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.740 -1.373 -10.403 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.254 -0.228 -11.676 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.255 -0.412 -10.214 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.104 -4.997 -9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.508 -4.787 -11.515 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.513 -4.017 -10.265 1.00 0.00 H new ATOM 799 N LYS A 54 0.563 0.757 -13.347 1.00 0.00 N ATOM 800 CA LYS A 54 0.907 1.917 -14.162 1.00 0.00 C ATOM 801 C LYS A 54 1.999 2.745 -13.492 1.00 0.00 C ATOM 802 O LYS A 54 2.718 3.492 -14.155 1.00 0.00 O ATOM 803 CB LYS A 54 -0.330 2.784 -14.401 1.00 0.00 C ATOM 804 CG LYS A 54 -0.790 2.803 -15.849 1.00 0.00 C ATOM 805 CD LYS A 54 -1.524 1.524 -16.217 1.00 0.00 C ATOM 806 CE LYS A 54 -1.542 1.305 -17.721 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.362 -0.130 -18.076 1.00 0.00 N ATOM 0 H LYS A 54 -0.337 0.828 -12.873 1.00 0.00 H new ATOM 0 HA LYS A 54 1.282 1.559 -15.121 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.145 2.420 -13.775 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.115 3.804 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.444 3.659 -16.013 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.072 2.931 -16.504 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.044 0.675 -15.730 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.547 1.570 -15.843 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.487 1.664 -18.129 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.751 1.895 -18.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.548 -0.263 -19.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.387 -0.421 -17.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.025 -0.710 -17.524 1.00 0.00 H new ATOM 821 N ASN A 55 2.120 2.605 -12.177 1.00 0.00 N ATOM 822 CA ASN A 55 3.127 3.340 -11.419 1.00 0.00 C ATOM 823 C ASN A 55 3.172 2.863 -9.970 1.00 0.00 C ATOM 824 O ASN A 55 2.150 2.480 -9.399 1.00 0.00 O ATOM 825 CB ASN A 55 2.834 4.840 -11.465 1.00 0.00 C ATOM 826 CG ASN A 55 4.077 5.664 -11.743 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.282 6.139 -12.860 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.914 5.835 -10.726 1.00 0.00 N ATOM 0 H ASN A 55 1.534 1.990 -11.613 1.00 0.00 H new ATOM 0 HA ASN A 55 4.099 3.152 -11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.090 5.039 -12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.400 5.152 -10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.767 6.379 -10.854 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.703 5.423 -9.817 1.00 0.00 H new ATOM 835 N TYR A 56 4.362 2.890 -9.382 1.00 0.00 N ATOM 836 CA TYR A 56 4.543 2.459 -8.000 1.00 0.00 C ATOM 837 C TYR A 56 5.590 3.316 -7.294 1.00 0.00 C ATOM 838 O TYR A 56 6.457 3.909 -7.936 1.00 0.00 O ATOM 839 CB TYR A 56 4.955 0.986 -7.952 1.00 0.00 C ATOM 840 CG TYR A 56 6.428 0.763 -8.210 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.922 0.677 -9.505 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.326 0.635 -7.157 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.267 0.471 -9.745 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.672 0.431 -7.387 1.00 0.00 C ATOM 845 CZ TYR A 56 9.137 0.349 -8.682 1.00 0.00 C ATOM 846 OH TYR A 56 10.478 0.145 -8.917 1.00 0.00 O ATOM 0 H TYR A 56 5.217 3.206 -9.840 1.00 0.00 H new ATOM 0 HA TYR A 56 3.592 2.580 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.700 0.577 -6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.377 0.431 -8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.243 0.773 -10.339 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.965 0.696 -6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.635 0.406 -10.758 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.357 0.336 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 56 10.984 0.318 -8.096 1.00 0.00 H new ATOM 856 N ILE A 57 5.501 3.373 -5.970 1.00 0.00 N ATOM 857 CA ILE A 57 6.441 4.155 -5.175 1.00 0.00 C ATOM 858 C ILE A 57 6.866 3.396 -3.924 1.00 0.00 C ATOM 859 O ILE A 57 6.046 3.104 -3.052 1.00 0.00 O ATOM 860 CB ILE A 57 5.837 5.510 -4.761 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.790 6.460 -5.959 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.640 6.122 -3.623 1.00 0.00 C ATOM 863 CD1 ILE A 57 7.129 7.083 -6.289 1.00 0.00 C ATOM 0 H ILE A 57 4.788 2.888 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 57 7.314 4.333 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 57 4.817 5.345 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.427 5.915 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.070 7.253 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.201 7.079 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.626 5.450 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.670 6.276 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.021 7.745 -7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.485 7.656 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.848 6.298 -6.524 1.00 0.00 H new ATOM 875 N LEU A 58 8.154 3.081 -3.838 1.00 0.00 N ATOM 876 CA LEU A 58 8.690 2.358 -2.691 1.00 0.00 C ATOM 877 C LEU A 58 9.408 3.305 -1.736 1.00 0.00 C ATOM 878 O LEU A 58 10.591 3.597 -1.908 1.00 0.00 O ATOM 879 CB LEU A 58 9.651 1.262 -3.158 1.00 0.00 C ATOM 880 CG LEU A 58 9.273 -0.170 -2.774 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.119 -0.295 -1.266 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.993 -0.591 -3.480 1.00 0.00 C ATOM 0 H LEU A 58 8.846 3.315 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 58 7.855 1.900 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.733 1.316 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.640 1.477 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 58 10.075 -0.835 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.850 -1.320 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.060 -0.036 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.336 0.381 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.739 -1.612 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.182 0.078 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.139 -0.541 -4.559 1.00 0.00 H new ATOM 894 N MET A 59 8.685 3.782 -0.727 1.00 0.00 N ATOM 895 CA MET A 59 9.254 4.695 0.257 1.00 0.00 C ATOM 896 C MET A 59 9.885 3.924 1.412 1.00 0.00 C ATOM 897 O MET A 59 9.237 3.084 2.038 1.00 0.00 O ATOM 898 CB MET A 59 8.176 5.641 0.790 1.00 0.00 C ATOM 899 CG MET A 59 7.186 6.093 -0.272 1.00 0.00 C ATOM 900 SD MET A 59 6.470 7.708 0.088 1.00 0.00 S ATOM 901 CE MET A 59 6.237 8.352 -1.567 1.00 0.00 C ATOM 0 H MET A 59 7.704 3.551 -0.570 1.00 0.00 H new ATOM 0 HA MET A 59 10.031 5.281 -0.234 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.633 5.144 1.594 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.656 6.518 1.225 1.00 0.00 H new ATOM 0 HG2 MET A 59 7.688 6.130 -1.239 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.387 5.356 -0.355 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.867 9.376 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 59 7.188 8.339 -2.100 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.514 7.734 -2.100 1.00 0.00 H new ATOM 911 N ARG A 60 11.152 4.214 1.688 1.00 0.00 N ATOM 912 CA ARG A 60 11.871 3.547 2.767 1.00 0.00 C ATOM 913 C ARG A 60 11.773 4.347 4.062 1.00 0.00 C ATOM 914 O ARG A 60 12.028 3.824 5.148 1.00 0.00 O ATOM 915 CB ARG A 60 13.340 3.351 2.386 1.00 0.00 C ATOM 916 CG ARG A 60 14.071 2.356 3.271 1.00 0.00 C ATOM 917 CD ARG A 60 15.556 2.674 3.357 1.00 0.00 C ATOM 918 NE ARG A 60 16.353 1.797 2.503 1.00 0.00 N ATOM 919 CZ ARG A 60 17.680 1.836 2.445 1.00 0.00 C ATOM 920 NH1 ARG A 60 18.354 2.703 3.187 1.00 0.00 N ATOM 921 NH2 ARG A 60 18.334 1.005 1.643 1.00 0.00 N ATOM 0 H ARG A 60 11.702 4.906 1.179 1.00 0.00 H new ATOM 0 HA ARG A 60 11.411 2.572 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.396 3.014 1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.851 4.313 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.636 2.368 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.936 1.349 2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.722 3.711 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.889 2.575 4.390 1.00 0.00 H new ATOM 0 HE ARG A 60 15.864 1.118 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.854 3.343 3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.373 2.731 3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.818 0.336 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.353 1.035 1.599 1.00 0.00 H new ATOM 935 N MET A 61 11.401 5.617 3.941 1.00 0.00 N ATOM 936 CA MET A 61 11.268 6.489 5.102 1.00 0.00 C ATOM 937 C MET A 61 10.511 5.788 6.225 1.00 0.00 C ATOM 938 O MET A 61 11.108 5.321 7.194 1.00 0.00 O ATOM 939 CB MET A 61 10.548 7.783 4.716 1.00 0.00 C ATOM 940 CG MET A 61 11.413 9.024 4.858 1.00 0.00 C ATOM 941 SD MET A 61 11.176 9.859 6.439 1.00 0.00 S ATOM 942 CE MET A 61 12.800 10.570 6.694 1.00 0.00 C ATOM 0 H MET A 61 11.186 6.065 3.050 1.00 0.00 H new ATOM 0 HA MET A 61 12.269 6.732 5.459 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.205 7.705 3.684 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.661 7.895 5.339 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.461 8.745 4.752 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.184 9.716 4.048 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.813 11.120 7.635 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.544 9.774 6.729 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.033 11.249 5.874 1.00 0.00 H new ATOM 952 N LYS A 62 9.191 5.716 6.087 1.00 0.00 N ATOM 953 CA LYS A 62 8.350 5.070 7.089 1.00 0.00 C ATOM 954 C LYS A 62 7.765 3.769 6.552 1.00 0.00 C ATOM 955 O LYS A 62 6.573 3.503 6.703 1.00 0.00 O ATOM 956 CB LYS A 62 7.221 6.010 7.520 1.00 0.00 C ATOM 957 CG LYS A 62 7.706 7.241 8.265 1.00 0.00 C ATOM 958 CD LYS A 62 6.645 8.331 8.290 1.00 0.00 C ATOM 959 CE LYS A 62 7.174 9.607 8.926 1.00 0.00 C ATOM 960 NZ LYS A 62 6.087 10.596 9.169 1.00 0.00 N ATOM 0 H LYS A 62 8.680 6.097 5.291 1.00 0.00 H new ATOM 0 HA LYS A 62 8.972 4.838 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.665 6.325 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.526 5.462 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.973 6.968 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.610 7.622 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.313 8.540 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.774 7.980 8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.664 9.367 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.930 10.050 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.487 11.452 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.636 10.845 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.378 10.183 9.808 1.00 0.00 H new ATOM 974 N SER A 63 8.613 2.959 5.924 1.00 0.00 N ATOM 975 CA SER A 63 8.179 1.685 5.362 1.00 0.00 C ATOM 976 C SER A 63 6.811 1.821 4.701 1.00 0.00 C ATOM 977 O SER A 63 5.875 1.094 5.035 1.00 0.00 O ATOM 978 CB SER A 63 8.128 0.614 6.453 1.00 0.00 C ATOM 979 OG SER A 63 9.354 0.547 7.161 1.00 0.00 O ATOM 0 H SER A 63 9.604 3.163 5.792 1.00 0.00 H new ATOM 0 HA SER A 63 8.901 1.385 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.316 0.835 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.910 -0.355 6.005 1.00 0.00 H new ATOM 0 HG SER A 63 9.294 -0.144 7.854 1.00 0.00 H new ATOM 985 N GLN A 64 6.704 2.756 3.764 1.00 0.00 N ATOM 986 CA GLN A 64 5.450 2.988 3.056 1.00 0.00 C ATOM 987 C GLN A 64 5.659 2.939 1.547 1.00 0.00 C ATOM 988 O GLN A 64 6.776 3.114 1.059 1.00 0.00 O ATOM 989 CB GLN A 64 4.856 4.339 3.457 1.00 0.00 C ATOM 990 CG GLN A 64 4.506 4.437 4.933 1.00 0.00 C ATOM 991 CD GLN A 64 3.117 4.996 5.168 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.599 5.765 4.358 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.505 4.612 6.282 1.00 0.00 N ATOM 0 H GLN A 64 7.470 3.366 3.477 1.00 0.00 H new ATOM 0 HA GLN A 64 4.754 2.196 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.567 5.127 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.958 4.521 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.577 3.448 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.238 5.070 5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.971 3.973 6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.568 4.956 6.494 1.00 0.00 H new ATOM 1002 N ALA A 65 4.579 2.699 0.811 1.00 0.00 N ATOM 1003 CA ALA A 65 4.644 2.629 -0.644 1.00 0.00 C ATOM 1004 C ALA A 65 3.280 2.902 -1.268 1.00 0.00 C ATOM 1005 O ALA A 65 2.243 2.605 -0.674 1.00 0.00 O ATOM 1006 CB ALA A 65 5.165 1.269 -1.082 1.00 0.00 C ATOM 0 H ALA A 65 3.647 2.550 1.199 1.00 0.00 H new ATOM 0 HA ALA A 65 5.333 3.399 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.209 1.229 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.163 1.113 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.497 0.489 -0.717 1.00 0.00 H new ATOM 1012 N PHE A 66 3.288 3.471 -2.469 1.00 0.00 N ATOM 1013 CA PHE A 66 2.050 3.785 -3.174 1.00 0.00 C ATOM 1014 C PHE A 66 2.006 3.091 -4.532 1.00 0.00 C ATOM 1015 O PHE A 66 2.852 3.334 -5.393 1.00 0.00 O ATOM 1016 CB PHE A 66 1.915 5.298 -3.358 1.00 0.00 C ATOM 1017 CG PHE A 66 1.556 6.025 -2.094 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.358 5.767 -1.446 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.415 6.967 -1.552 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.025 6.435 -0.284 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.089 7.639 -0.389 1.00 0.00 C ATOM 1022 CZ PHE A 66 0.892 7.371 0.247 1.00 0.00 C ATOM 0 H PHE A 66 4.137 3.724 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 66 1.216 3.422 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.855 5.695 -3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.153 5.498 -4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.323 5.035 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.352 7.179 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.913 6.226 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.768 8.372 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.634 7.892 1.157 1.00 0.00 H new ATOM 1032 N ILE A 67 1.015 2.225 -4.715 1.00 0.00 N ATOM 1033 CA ILE A 67 0.859 1.496 -5.967 1.00 0.00 C ATOM 1034 C ILE A 67 -0.387 1.952 -6.719 1.00 0.00 C ATOM 1035 O ILE A 67 -1.511 1.696 -6.288 1.00 0.00 O ATOM 1036 CB ILE A 67 0.774 -0.024 -5.727 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.042 -0.525 -5.036 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.556 -0.755 -7.043 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.993 -1.993 -4.674 1.00 0.00 C ATOM 0 H ILE A 67 0.308 2.011 -4.012 1.00 0.00 H new ATOM 0 HA ILE A 67 1.742 1.712 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.076 -0.228 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.896 -0.349 -5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.208 0.059 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.498 -1.828 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.374 -0.414 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.387 -0.547 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.925 -2.279 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.159 -2.173 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.859 -2.586 -5.578 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.178 2.629 -7.843 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.286 3.120 -8.656 1.00 0.00 C ATOM 1053 C GLU A 68 -1.741 2.058 -9.653 1.00 0.00 C ATOM 1054 O GLU A 68 -1.056 1.784 -10.638 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.878 4.392 -9.398 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.951 4.921 -10.336 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.766 6.389 -10.665 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.606 6.848 -10.704 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.783 7.080 -10.885 1.00 0.00 O ATOM 0 H GLU A 68 0.747 2.850 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.119 3.349 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.632 5.164 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.028 4.194 -9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.939 4.341 -11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.930 4.775 -9.881 1.00 0.00 H new ATOM 1066 N MET A 69 -2.901 1.465 -9.390 1.00 0.00 N ATOM 1067 CA MET A 69 -3.448 0.436 -10.266 1.00 0.00 C ATOM 1068 C MET A 69 -3.830 1.021 -11.621 1.00 0.00 C ATOM 1069 O MET A 69 -3.930 2.237 -11.776 1.00 0.00 O ATOM 1070 CB MET A 69 -4.670 -0.219 -9.617 1.00 0.00 C ATOM 1071 CG MET A 69 -4.394 -0.786 -8.235 1.00 0.00 C ATOM 1072 SD MET A 69 -2.775 -1.573 -8.118 1.00 0.00 S ATOM 1073 CE MET A 69 -3.028 -3.022 -9.139 1.00 0.00 C ATOM 0 H MET A 69 -3.480 1.679 -8.578 1.00 0.00 H new ATOM 0 HA MET A 69 -2.678 -0.320 -10.421 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.471 0.517 -9.545 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.029 -1.019 -10.264 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.459 0.015 -7.498 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.166 -1.513 -7.984 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.088 -3.300 -9.616 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.378 -3.847 -8.519 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.772 -2.802 -9.904 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.040 0.146 -12.600 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.408 0.578 -13.944 1.00 0.00 C ATOM 1085 C GLU A 70 -5.814 1.173 -13.957 1.00 0.00 C ATOM 1086 O GLU A 70 -6.098 2.109 -14.706 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.331 -0.596 -14.920 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.635 -0.213 -16.359 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.325 -1.325 -17.125 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -4.865 -2.482 -17.034 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.326 -1.038 -17.816 1.00 0.00 O ATOM 0 H GLU A 70 -3.962 -0.865 -12.488 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.702 1.348 -14.257 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.333 -1.032 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.032 -1.368 -14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.266 0.676 -16.369 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.706 0.050 -16.865 1.00 0.00 H new ATOM 1098 N THR A 71 -6.691 0.622 -13.123 1.00 0.00 N ATOM 1099 CA THR A 71 -8.067 1.095 -13.039 1.00 0.00 C ATOM 1100 C THR A 71 -8.542 1.155 -11.592 1.00 0.00 C ATOM 1101 O THR A 71 -7.767 0.918 -10.665 1.00 0.00 O ATOM 1102 CB THR A 71 -9.022 0.193 -13.844 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.478 -0.890 -13.026 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.331 -0.357 -15.083 1.00 0.00 C ATOM 0 H THR A 71 -6.472 -0.152 -12.496 1.00 0.00 H new ATOM 0 HA THR A 71 -8.082 2.098 -13.465 1.00 0.00 H new ATOM 0 HB THR A 71 -9.875 0.794 -14.160 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.877 -1.657 -13.133 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.025 -0.991 -15.635 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.010 0.469 -15.718 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.462 -0.944 -14.785 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.818 1.471 -11.405 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.395 1.562 -10.069 1.00 0.00 C ATOM 1114 C ARG A 72 -10.774 0.179 -9.546 1.00 0.00 C ATOM 1115 O ARG A 72 -10.483 -0.162 -8.400 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.627 2.469 -10.083 1.00 0.00 C ATOM 1117 CG ARG A 72 -12.191 2.751 -8.700 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.507 4.227 -8.519 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.835 4.438 -7.949 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.963 4.155 -8.591 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.923 3.653 -9.818 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -16.133 4.373 -8.005 1.00 0.00 N ATOM 0 H ARG A 72 -10.473 1.669 -12.162 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.645 1.990 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.367 3.414 -10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.402 2.006 -10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.096 2.163 -8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.474 2.435 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.758 4.681 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.442 4.732 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.900 4.824 -7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.025 3.483 -10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.790 3.436 -10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.167 4.758 -7.061 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.999 4.156 -8.498 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.424 -0.611 -10.394 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.844 -1.956 -10.015 1.00 0.00 C ATOM 1138 C GLU A 73 -10.689 -2.727 -9.383 1.00 0.00 C ATOM 1139 O GLU A 73 -10.877 -3.458 -8.409 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.370 -2.712 -11.237 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.780 -2.315 -11.639 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.806 -3.380 -11.303 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.738 -3.938 -10.188 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.674 -3.656 -12.157 1.00 0.00 O ATOM 0 H GLU A 73 -11.671 -0.344 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.644 -1.867 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.699 -2.537 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.348 -3.782 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.049 -1.386 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.806 -2.117 -12.710 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.497 -2.561 -9.944 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.311 -3.242 -9.436 1.00 0.00 C ATOM 1153 C ASP A 74 -7.976 -2.768 -8.025 1.00 0.00 C ATOM 1154 O ASP A 74 -8.135 -3.511 -7.056 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.120 -3.000 -10.365 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.481 -3.181 -11.826 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -7.844 -4.312 -12.212 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -7.398 -2.192 -12.586 1.00 0.00 O ATOM 0 H ASP A 74 -9.326 -1.961 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.523 -4.311 -9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.741 -1.990 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.314 -3.686 -10.105 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.512 -1.528 -7.917 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.155 -0.956 -6.625 1.00 0.00 C ATOM 1165 C ALA A 75 -8.250 -1.204 -5.593 1.00 0.00 C ATOM 1166 O ALA A 75 -7.967 -1.441 -4.419 1.00 0.00 O ATOM 1167 CB ALA A 75 -6.888 0.536 -6.764 1.00 0.00 C ATOM 0 H ALA A 75 -7.374 -0.900 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.246 -1.447 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.622 0.950 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.067 0.695 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.783 1.033 -7.138 1.00 0.00 H new ATOM 1173 N MET A 76 -9.501 -1.149 -6.039 1.00 0.00 N ATOM 1174 CA MET A 76 -10.638 -1.369 -5.153 1.00 0.00 C ATOM 1175 C MET A 76 -10.689 -2.820 -4.685 1.00 0.00 C ATOM 1176 O MET A 76 -10.862 -3.092 -3.497 1.00 0.00 O ATOM 1177 CB MET A 76 -11.943 -1.004 -5.863 1.00 0.00 C ATOM 1178 CG MET A 76 -12.037 0.463 -6.247 1.00 0.00 C ATOM 1179 SD MET A 76 -12.957 1.439 -5.042 1.00 0.00 S ATOM 1180 CE MET A 76 -11.825 2.802 -4.774 1.00 0.00 C ATOM 0 H MET A 76 -9.753 -0.954 -7.008 1.00 0.00 H new ATOM 0 HA MET A 76 -10.516 -0.728 -4.280 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.041 -1.613 -6.762 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.782 -1.256 -5.215 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.032 0.873 -6.350 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.517 0.549 -7.222 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.441 2.761 -3.755 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.996 2.730 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.349 3.746 -4.927 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.537 -3.746 -5.626 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.565 -5.169 -5.308 1.00 0.00 C ATOM 1192 C ALA A 77 -9.451 -5.535 -4.332 1.00 0.00 C ATOM 1193 O ALA A 77 -9.595 -6.456 -3.529 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.447 -5.996 -6.579 1.00 0.00 C ATOM 0 H ALA A 77 -10.393 -3.537 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.519 -5.391 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.469 -7.056 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.280 -5.763 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.507 -5.762 -7.080 1.00 0.00 H new ATOM 1200 N MET A 78 -8.341 -4.807 -4.408 1.00 0.00 N ATOM 1201 CA MET A 78 -7.203 -5.057 -3.530 1.00 0.00 C ATOM 1202 C MET A 78 -7.547 -4.714 -2.085 1.00 0.00 C ATOM 1203 O MET A 78 -7.429 -5.554 -1.192 1.00 0.00 O ATOM 1204 CB MET A 78 -5.992 -4.240 -3.987 1.00 0.00 C ATOM 1205 CG MET A 78 -4.682 -4.700 -3.368 1.00 0.00 C ATOM 1206 SD MET A 78 -3.275 -3.708 -3.904 1.00 0.00 S ATOM 1207 CE MET A 78 -1.954 -4.449 -2.949 1.00 0.00 C ATOM 0 H MET A 78 -8.205 -4.041 -5.067 1.00 0.00 H new ATOM 0 HA MET A 78 -6.958 -6.118 -3.584 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.912 -4.299 -5.072 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.155 -3.192 -3.736 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.762 -4.654 -2.282 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.507 -5.743 -3.630 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.057 -4.523 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.745 -3.830 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.254 -5.445 -2.624 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.972 -3.475 -1.859 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.333 -3.021 -0.522 1.00 0.00 C ATOM 1219 C VAL A 79 -9.512 -3.816 0.028 1.00 0.00 C ATOM 1220 O VAL A 79 -9.672 -3.949 1.241 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.689 -1.522 -0.513 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.586 -0.708 -1.172 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -10.022 -1.289 -1.209 1.00 0.00 C ATOM 0 H VAL A 79 -8.075 -2.767 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.461 -3.182 0.112 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.782 -1.193 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.855 0.348 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.652 -0.853 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.459 -1.035 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.259 -0.225 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.958 -1.632 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.805 -1.843 -0.690 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.335 -4.342 -0.872 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.500 -5.126 -0.478 1.00 0.00 C ATOM 1235 C ASP A 80 -11.080 -6.489 0.063 1.00 0.00 C ATOM 1236 O ASP A 80 -11.611 -6.958 1.070 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.447 -5.304 -1.665 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.767 -4.587 -1.467 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.263 -4.562 -0.320 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.303 -4.048 -2.457 1.00 0.00 O ATOM 0 H ASP A 80 -10.217 -4.240 -1.880 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.020 -4.586 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.966 -4.930 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.634 -6.367 -1.820 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.125 -7.120 -0.612 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.635 -8.430 -0.199 1.00 0.00 C ATOM 1247 C HIS A 81 -8.962 -8.351 1.168 1.00 0.00 C ATOM 1248 O HIS A 81 -8.759 -9.370 1.830 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.651 -8.978 -1.233 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.453 -10.461 -1.143 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.869 -11.336 -2.124 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -7.878 -11.220 -0.182 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.560 -12.571 -1.770 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -7.956 -12.528 -0.595 1.00 0.00 N ATOM 0 H HIS A 81 -9.675 -6.746 -1.447 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.488 -9.104 -0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.009 -8.727 -2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.689 -8.483 -1.105 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -9.342 -11.071 -2.988 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.439 -10.864 0.738 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -8.766 -13.463 -2.343 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.619 -7.137 1.585 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.967 -6.927 2.873 1.00 0.00 C ATOM 1264 C CYS A 82 -8.999 -6.765 3.984 1.00 0.00 C ATOM 1265 O CYS A 82 -8.670 -6.848 5.168 1.00 0.00 O ATOM 1266 CB CYS A 82 -7.065 -5.693 2.816 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.634 -5.017 4.436 1.00 0.00 S ATOM 0 H CYS A 82 -8.781 -6.284 1.050 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.358 -7.804 3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.148 -5.951 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.563 -4.919 2.232 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.343 -5.604 5.354 1.00 0.00 H new ATOM 1273 N LEU A 83 -10.248 -6.533 3.595 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.329 -6.357 4.559 1.00 0.00 C ATOM 1275 C LEU A 83 -11.820 -7.706 5.077 1.00 0.00 C ATOM 1276 O LEU A 83 -12.025 -7.883 6.278 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.489 -5.592 3.919 1.00 0.00 C ATOM 1278 CG LEU A 83 -12.169 -4.182 3.422 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -13.404 -3.537 2.813 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.624 -3.327 4.558 1.00 0.00 C ATOM 0 H LEU A 83 -10.537 -6.462 2.619 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.943 -5.783 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.863 -6.176 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.299 -5.525 4.646 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.404 -4.255 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.157 -2.534 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.751 -4.138 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.191 -3.476 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.402 -2.327 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.367 -3.262 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.713 -3.780 4.949 1.00 0.00 H new ATOM 1292 N LYS A 84 -12.003 -8.654 4.165 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.466 -9.987 4.529 1.00 0.00 C ATOM 1294 C LYS A 84 -11.294 -10.885 4.912 1.00 0.00 C ATOM 1295 O LYS A 84 -11.377 -11.660 5.865 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.245 -10.614 3.370 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.428 -9.780 2.911 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.045 -8.845 1.776 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.748 -9.223 0.482 1.00 0.00 C ATOM 1300 NZ LYS A 84 -16.223 -9.041 0.577 1.00 0.00 N ATOM 0 H LYS A 84 -11.837 -8.523 3.167 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.125 -9.892 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.569 -10.765 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.601 -11.599 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.234 -10.438 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.811 -9.198 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.302 -7.820 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.966 -8.875 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.359 -8.614 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.525 -10.262 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.621 -8.925 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.647 -9.876 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.433 -8.195 1.145 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.201 -10.773 4.165 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.009 -11.572 4.427 1.00 0.00 C ATOM 1316 C LYS A 85 -7.830 -10.681 4.806 1.00 0.00 C ATOM 1317 O LYS A 85 -7.789 -9.506 4.448 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.654 -12.412 3.199 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.540 -13.414 3.449 1.00 0.00 C ATOM 1320 CD LYS A 85 -7.188 -14.184 2.187 1.00 0.00 C ATOM 1321 CE LYS A 85 -7.177 -15.685 2.435 1.00 0.00 C ATOM 1322 NZ LYS A 85 -8.522 -16.291 2.228 1.00 0.00 N ATOM 0 H LYS A 85 -10.116 -10.136 3.373 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.223 -12.236 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.544 -12.946 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.358 -11.747 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.656 -12.892 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.845 -14.112 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.908 -13.949 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.210 -13.866 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.458 -16.158 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.842 -15.882 3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.473 -17.314 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.203 -15.857 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.831 -16.125 1.249 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.874 -11.251 5.532 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.693 -10.511 5.955 1.00 0.00 C ATOM 1338 C ALA A 86 -4.572 -10.629 4.928 1.00 0.00 C ATOM 1339 O ALA A 86 -4.018 -11.710 4.720 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.220 -11.004 7.315 1.00 0.00 C ATOM 0 H ALA A 86 -6.895 -12.223 5.839 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.965 -9.459 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.337 -10.442 7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.012 -10.860 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.972 -12.064 7.252 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.242 -9.512 4.288 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.186 -9.491 3.282 1.00 0.00 C ATOM 1348 C LEU A 87 -1.809 -9.529 3.935 1.00 0.00 C ATOM 1349 O LEU A 87 -1.384 -8.562 4.566 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.314 -8.243 2.407 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.794 -8.371 0.974 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.610 -7.500 0.031 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.320 -7.998 0.907 1.00 0.00 C ATOM 0 H LEU A 87 -4.690 -8.610 4.448 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.295 -10.378 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.365 -7.958 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.781 -7.426 2.894 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.900 -9.409 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.226 -7.604 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.654 -7.813 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.536 -6.458 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.967 -8.095 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.190 -6.968 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.747 -8.663 1.552 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.117 -10.652 3.778 1.00 0.00 N ATOM 1366 CA TRP A 88 0.214 -10.815 4.351 1.00 0.00 C ATOM 1367 C TRP A 88 1.288 -10.701 3.275 1.00 0.00 C ATOM 1368 O TRP A 88 1.125 -11.207 2.165 1.00 0.00 O ATOM 1369 CB TRP A 88 0.325 -12.168 5.058 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.373 -12.204 6.384 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.630 -12.676 6.635 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.145 -11.749 7.638 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.924 -12.542 7.971 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.851 -11.976 8.608 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.354 -11.172 8.037 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.673 -11.646 9.949 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.529 -10.845 9.368 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.521 -11.083 10.311 1.00 0.00 C ATOM 0 H TRP A 88 -1.455 -11.462 3.259 1.00 0.00 H new ATOM 0 HA TRP A 88 0.369 -10.018 5.079 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.093 -12.942 4.414 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.378 -12.409 5.203 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.295 -13.093 5.893 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.799 -12.819 8.416 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.138 -10.985 7.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.449 -11.828 10.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.459 -10.398 9.687 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.689 -10.817 11.344 1.00 0.00 H new ATOM 1433 N ARG A 92 4.186 -10.129 6.913 1.00 0.00 N ATOM 1434 CA ARG A 92 3.812 -8.876 7.557 1.00 0.00 C ATOM 1435 C ARG A 92 2.359 -8.521 7.254 1.00 0.00 C ATOM 1436 O ARG A 92 1.912 -8.618 6.110 1.00 0.00 O ATOM 1437 CB ARG A 92 4.732 -7.745 7.093 1.00 0.00 C ATOM 1438 CG ARG A 92 6.208 -8.108 7.127 1.00 0.00 C ATOM 1439 CD ARG A 92 6.951 -7.320 8.194 1.00 0.00 C ATOM 1440 NE ARG A 92 6.155 -7.156 9.407 1.00 0.00 N ATOM 1441 CZ ARG A 92 6.437 -6.272 10.358 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.491 -5.478 10.237 1.00 0.00 N ATOM 1443 NH2 ARG A 92 5.665 -6.183 11.432 1.00 0.00 N ATOM 0 HA ARG A 92 3.920 -9.004 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.460 -7.460 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.567 -6.872 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.317 -9.175 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.654 -7.913 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.883 -7.830 8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.218 -6.339 7.800 1.00 0.00 H new ATOM 0 HE ARG A 92 5.337 -7.753 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.088 -5.545 9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.705 -4.800 10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.854 -6.794 11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.882 -5.504 12.161 1.00 0.00 H new ATOM 1457 N CYS A 93 1.629 -8.111 8.285 1.00 0.00 N ATOM 1458 CA CYS A 93 0.226 -7.743 8.130 1.00 0.00 C ATOM 1459 C CYS A 93 0.093 -6.357 7.507 1.00 0.00 C ATOM 1460 O CYS A 93 -0.646 -5.509 8.007 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.485 -7.777 9.484 1.00 0.00 C ATOM 1462 SG CYS A 93 0.084 -6.516 10.648 1.00 0.00 S ATOM 0 H CYS A 93 1.985 -8.025 9.237 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.242 -8.468 7.464 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.556 -7.651 9.323 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.343 -8.760 9.932 1.00 0.00 H new ATOM 0 HG CYS A 93 0.043 -5.349 10.077 1.00 0.00 H new ATOM 1468 N VAL A 94 0.815 -6.134 6.413 1.00 0.00 N ATOM 1469 CA VAL A 94 0.777 -4.851 5.722 1.00 0.00 C ATOM 1470 C VAL A 94 -0.657 -4.391 5.493 1.00 0.00 C ATOM 1471 O VAL A 94 -1.501 -5.157 5.026 1.00 0.00 O ATOM 1472 CB VAL A 94 1.504 -4.924 4.365 1.00 0.00 C ATOM 1473 CG1 VAL A 94 1.019 -6.121 3.562 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.305 -3.632 3.585 1.00 0.00 C ATOM 0 H VAL A 94 1.433 -6.825 5.987 1.00 0.00 H new ATOM 0 HA VAL A 94 1.287 -4.132 6.362 1.00 0.00 H new ATOM 0 HB VAL A 94 2.571 -5.050 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.544 -6.155 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.217 -7.037 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.052 -6.030 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.825 -3.700 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.241 -3.473 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.706 -2.796 4.157 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.930 -3.134 5.824 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.263 -2.568 5.653 1.00 0.00 C ATOM 1486 C LYS A 95 -2.421 -1.956 4.265 1.00 0.00 C ATOM 1487 O LYS A 95 -1.603 -1.143 3.837 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.530 -1.507 6.724 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.839 -1.709 7.467 1.00 0.00 C ATOM 1490 CD LYS A 95 -4.771 -0.522 7.287 1.00 0.00 C ATOM 1491 CE LYS A 95 -6.216 -0.900 7.572 1.00 0.00 C ATOM 1492 NZ LYS A 95 -6.864 0.054 8.515 1.00 0.00 N ATOM 0 H LYS A 95 -0.245 -2.486 6.213 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.989 -3.374 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.710 -1.513 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.536 -0.523 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.327 -2.614 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.637 -1.857 8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.467 0.285 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.687 -0.143 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.776 -0.924 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.252 -1.906 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.848 -0.239 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.345 0.058 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.852 1.010 8.105 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.480 -2.351 3.566 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.748 -1.840 2.227 1.00 0.00 C ATOM 1508 C VAL A 96 -5.068 -1.080 2.183 1.00 0.00 C ATOM 1509 O VAL A 96 -6.138 -1.664 2.351 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.787 -2.977 1.190 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.851 -3.999 1.558 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.034 -2.418 -0.204 1.00 0.00 C ATOM 0 H VAL A 96 -4.167 -3.024 3.905 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.933 -1.160 1.978 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.819 -3.479 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.864 -4.795 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.626 -4.422 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.827 -3.514 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.059 -3.235 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.988 -1.891 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.233 -1.727 -0.466 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.985 0.227 1.954 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.174 1.068 1.886 1.00 0.00 C ATOM 1524 C ASP A 97 -6.059 2.080 0.750 1.00 0.00 C ATOM 1525 O ASP A 97 -4.986 2.630 0.499 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.386 1.797 3.214 1.00 0.00 C ATOM 1527 CG ASP A 97 -5.160 2.573 3.651 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -4.991 3.724 3.197 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -4.367 2.028 4.448 1.00 0.00 O ATOM 0 H ASP A 97 -4.107 0.726 1.812 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.033 0.425 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.230 2.480 3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.648 1.072 3.985 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.171 2.318 0.063 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.197 3.262 -1.049 1.00 0.00 C ATOM 1536 C LEU A 98 -7.103 4.699 -0.545 1.00 0.00 C ATOM 1537 O LEU A 98 -7.887 5.121 0.305 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.474 3.079 -1.870 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.284 2.906 -3.377 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.767 1.535 -3.823 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -9.014 4.004 -4.136 1.00 0.00 C ATOM 0 H LEU A 98 -8.067 1.870 0.257 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.334 3.062 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.005 2.207 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.117 3.943 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.220 2.983 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.624 1.431 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.199 0.763 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.825 1.427 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.868 3.865 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.079 3.959 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.619 4.976 -3.839 1.00 0.00 H new ATOM 1553 N SER A 99 -6.141 5.446 -1.077 1.00 0.00 N ATOM 1554 CA SER A 99 -5.945 6.835 -0.681 1.00 0.00 C ATOM 1555 C SER A 99 -6.831 7.766 -1.505 1.00 0.00 C ATOM 1556 O SER A 99 -7.459 7.343 -2.474 1.00 0.00 O ATOM 1557 CB SER A 99 -4.476 7.232 -0.846 1.00 0.00 C ATOM 1558 OG SER A 99 -4.270 8.586 -0.480 1.00 0.00 O ATOM 0 H SER A 99 -5.485 5.112 -1.783 1.00 0.00 H new ATOM 0 HA SER A 99 -6.225 6.931 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.850 6.586 -0.230 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.169 7.081 -1.881 1.00 0.00 H new ATOM 0 HG SER A 99 -3.324 8.815 -0.592 1.00 0.00 H new