USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 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 50 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -6.76! C(o=-6.5!,f=-9.8!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.208 K(o=-6.5,f=-9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-0.038) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -170:sc= 0.501 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 142:sc= -0.0139 (180deg=-0.391) USER MOD Single : A 55 ASN : amide:sc=-0.000853 X(o=-0.00085,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 166:sc= -2.9! (180deg=-3.9) 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 166:sc= -5.58! (180deg=-5.86!) USER MOD Single : A 71 THR OG1 : rot -70:sc= 0.107 USER MOD Single : A 76 MET CE :methyl -112:sc= -3.8! (180deg=-5.4!) USER MOD Single : A 78 MET CE :methyl 142:sc= -2.4 (180deg=-4.15!) USER MOD Single : A 82 CYS SG : rot -11:sc= 0.351 USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -0.0128 (180deg=-0.151) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot -56:sc= -0.189 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 -8.697 9.503 -8.464 1.00 0.00 N ATOM 356 CA GLY A 25 -7.345 8.975 -8.464 1.00 0.00 C ATOM 357 C GLY A 25 -7.264 7.589 -7.856 1.00 0.00 C ATOM 358 O GLY A 25 -7.791 7.348 -6.770 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.971 8.942 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.694 9.651 -7.909 1.00 0.00 H new ATOM 362 N ARG A 26 -6.604 6.674 -8.559 1.00 0.00 N ATOM 363 CA ARG A 26 -6.458 5.304 -8.084 1.00 0.00 C ATOM 364 C ARG A 26 -5.075 5.083 -7.478 1.00 0.00 C ATOM 365 O ARG A 26 -4.086 4.940 -8.197 1.00 0.00 O ATOM 366 CB ARG A 26 -6.688 4.317 -9.231 1.00 0.00 C ATOM 367 CG ARG A 26 -8.052 4.453 -9.887 1.00 0.00 C ATOM 368 CD ARG A 26 -7.940 5.029 -11.290 1.00 0.00 C ATOM 369 NE ARG A 26 -7.769 6.480 -11.274 1.00 0.00 N ATOM 370 CZ ARG A 26 -7.321 7.178 -12.312 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.002 6.562 -13.441 1.00 0.00 N ATOM 372 NH2 ARG A 26 -7.193 8.496 -12.220 1.00 0.00 N ATOM 0 H ARG A 26 -6.162 6.857 -9.460 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.206 5.132 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.915 4.463 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.576 3.301 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.535 3.477 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.687 5.096 -9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.095 4.570 -11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.835 4.776 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.006 6.984 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.100 5.549 -13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.658 7.100 -14.236 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.439 8.973 -11.352 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.849 9.032 -13.017 1.00 0.00 H new ATOM 386 N VAL A 27 -5.014 5.056 -6.151 1.00 0.00 N ATOM 387 CA VAL A 27 -3.753 4.852 -5.447 1.00 0.00 C ATOM 388 C VAL A 27 -3.916 3.854 -4.306 1.00 0.00 C ATOM 389 O VAL A 27 -4.859 3.941 -3.521 1.00 0.00 O ATOM 390 CB VAL A 27 -3.205 6.176 -4.882 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.962 5.925 -4.042 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.908 7.154 -6.009 1.00 0.00 C ATOM 0 H VAL A 27 -5.823 5.173 -5.541 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.045 4.455 -6.175 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.966 6.618 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.589 6.872 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.211 5.263 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.194 5.460 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.522 8.084 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.166 6.722 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.824 7.358 -6.564 1.00 0.00 H new ATOM 402 N ILE A 28 -2.988 2.906 -4.221 1.00 0.00 N ATOM 403 CA ILE A 28 -3.028 1.892 -3.175 1.00 0.00 C ATOM 404 C ILE A 28 -2.010 2.191 -2.080 1.00 0.00 C ATOM 405 O ILE A 28 -0.805 2.025 -2.274 1.00 0.00 O ATOM 406 CB ILE A 28 -2.756 0.486 -3.743 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.868 0.079 -4.711 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.631 -0.526 -2.614 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.145 -0.347 -4.019 1.00 0.00 C ATOM 0 H ILE A 28 -2.200 2.819 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.032 1.916 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.814 0.507 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.086 0.916 -5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.513 -0.740 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.439 -1.515 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.807 -0.242 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.558 -0.548 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.890 -0.622 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.942 -1.204 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.524 0.477 -3.415 1.00 0.00 H new ATOM 421 N HIS A 29 -2.502 2.634 -0.927 1.00 0.00 N ATOM 422 CA HIS A 29 -1.635 2.955 0.201 1.00 0.00 C ATOM 423 C HIS A 29 -1.273 1.696 0.984 1.00 0.00 C ATOM 424 O HIS A 29 -2.148 1.013 1.520 1.00 0.00 O ATOM 425 CB HIS A 29 -2.317 3.965 1.124 1.00 0.00 C ATOM 426 CG HIS A 29 -1.356 4.814 1.899 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.751 5.884 2.672 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.009 4.743 2.018 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.690 6.437 3.231 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.380 5.762 2.851 1.00 0.00 N ATOM 0 H HIS A 29 -3.496 2.779 -0.750 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.718 3.394 -0.191 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.961 4.612 0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.961 3.430 1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.639 4.019 1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.696 7.295 3.887 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.340 5.965 3.131 1.00 0.00 H new ATOM 438 N LEU A 30 0.018 1.394 1.046 1.00 0.00 N ATOM 439 CA LEU A 30 0.496 0.217 1.763 1.00 0.00 C ATOM 440 C LEU A 30 1.369 0.618 2.947 1.00 0.00 C ATOM 441 O LEU A 30 2.521 1.017 2.777 1.00 0.00 O ATOM 442 CB LEU A 30 1.284 -0.694 0.819 1.00 0.00 C ATOM 443 CG LEU A 30 0.475 -1.380 -0.282 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.400 -2.073 -1.271 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.508 -2.374 0.318 1.00 0.00 C ATOM 0 H LEU A 30 0.754 1.948 0.608 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.371 -0.324 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.071 -0.104 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.775 -1.464 1.415 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.092 -0.618 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.807 -2.556 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.063 -1.337 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.994 -2.823 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.075 -2.852 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.038 -3.132 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.193 -1.851 0.986 1.00 0.00 H new ATOM 457 N SER A 31 0.812 0.507 4.150 1.00 0.00 N ATOM 458 CA SER A 31 1.539 0.859 5.364 1.00 0.00 C ATOM 459 C SER A 31 1.967 -0.392 6.124 1.00 0.00 C ATOM 460 O SER A 31 1.562 -1.504 5.786 1.00 0.00 O ATOM 461 CB SER A 31 0.674 1.745 6.263 1.00 0.00 C ATOM 462 OG SER A 31 0.366 2.972 5.624 1.00 0.00 O ATOM 0 H SER A 31 -0.140 0.176 4.309 1.00 0.00 H new ATOM 0 HA SER A 31 2.434 1.410 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.248 1.222 6.516 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.197 1.940 7.199 1.00 0.00 H new ATOM 0 HG SER A 31 -0.189 3.520 6.218 1.00 0.00 H new ATOM 468 N ASN A 32 2.786 -0.202 7.152 1.00 0.00 N ATOM 469 CA ASN A 32 3.270 -1.314 7.961 1.00 0.00 C ATOM 470 C ASN A 32 3.976 -2.352 7.093 1.00 0.00 C ATOM 471 O ASN A 32 3.823 -3.556 7.298 1.00 0.00 O ATOM 472 CB ASN A 32 2.108 -1.969 8.712 1.00 0.00 C ATOM 473 CG ASN A 32 2.528 -2.516 10.064 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.792 -1.758 10.998 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.592 -3.837 10.173 1.00 0.00 N ATOM 0 H ASN A 32 3.129 0.713 7.445 1.00 0.00 H new ATOM 0 HA ASN A 32 3.986 -0.921 8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.311 -1.239 8.850 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.698 -2.778 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.869 -4.263 11.057 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.364 -4.426 9.372 1.00 0.00 H new ATOM 482 N LEU A 33 4.750 -1.875 6.124 1.00 0.00 N ATOM 483 CA LEU A 33 5.481 -2.760 5.224 1.00 0.00 C ATOM 484 C LEU A 33 6.683 -3.380 5.928 1.00 0.00 C ATOM 485 O LEU A 33 7.278 -2.791 6.831 1.00 0.00 O ATOM 486 CB LEU A 33 5.942 -1.991 3.984 1.00 0.00 C ATOM 487 CG LEU A 33 4.860 -1.667 2.954 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.417 -0.769 1.860 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.289 -2.945 2.359 1.00 0.00 C ATOM 0 H LEU A 33 4.887 -0.881 5.942 1.00 0.00 H new ATOM 0 HA LEU A 33 4.809 -3.562 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.397 -1.056 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.723 -2.571 3.491 1.00 0.00 H new ATOM 0 HG LEU A 33 4.054 -1.134 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.633 -0.549 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.776 0.161 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.242 -1.275 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.520 -2.694 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.085 -3.506 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.852 -3.552 3.152 1.00 0.00 H new ATOM 501 N PRO A 34 7.053 -4.599 5.506 1.00 0.00 N ATOM 502 CA PRO A 34 8.189 -5.325 6.081 1.00 0.00 C ATOM 503 C PRO A 34 9.527 -4.687 5.722 1.00 0.00 C ATOM 504 O PRO A 34 9.580 -3.538 5.281 1.00 0.00 O ATOM 505 CB PRO A 34 8.076 -6.717 5.455 1.00 0.00 C ATOM 506 CG PRO A 34 7.341 -6.498 4.177 1.00 0.00 C ATOM 507 CD PRO A 34 6.391 -5.361 4.435 1.00 0.00 C ATOM 0 HA PRO A 34 8.159 -5.329 7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.059 -7.152 5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.538 -7.403 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.029 -6.255 3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.802 -7.397 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.241 -4.753 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.410 -5.720 4.745 1.00 0.00 H new ATOM 515 N HIS A 35 10.606 -5.439 5.912 1.00 0.00 N ATOM 516 CA HIS A 35 11.944 -4.947 5.606 1.00 0.00 C ATOM 517 C HIS A 35 12.962 -6.084 5.637 1.00 0.00 C ATOM 518 O HIS A 35 13.996 -5.986 6.299 1.00 0.00 O ATOM 519 CB HIS A 35 12.350 -3.856 6.598 1.00 0.00 C ATOM 520 CG HIS A 35 13.499 -3.018 6.131 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.340 -1.885 5.361 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.831 -3.151 6.330 1.00 0.00 C ATOM 523 CE1 HIS A 35 14.524 -1.359 5.107 1.00 0.00 C ATOM 524 NE2 HIS A 35 15.446 -2.108 5.684 1.00 0.00 N ATOM 0 H HIS A 35 10.580 -6.391 6.276 1.00 0.00 H new ATOM 0 HA HIS A 35 11.927 -4.525 4.601 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.492 -3.210 6.785 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.613 -4.320 7.548 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.319 -3.933 6.893 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.707 -0.467 4.526 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.451 -1.939 5.654 1.00 0.00 H new ATOM 532 N SER A 36 12.662 -7.160 4.918 1.00 0.00 N ATOM 533 CA SER A 36 13.548 -8.317 4.868 1.00 0.00 C ATOM 534 C SER A 36 14.471 -8.242 3.655 1.00 0.00 C ATOM 535 O SER A 36 14.934 -9.263 3.148 1.00 0.00 O ATOM 536 CB SER A 36 12.731 -9.610 4.821 1.00 0.00 C ATOM 537 OG SER A 36 12.848 -10.331 6.035 1.00 0.00 O ATOM 0 H SER A 36 11.812 -7.255 4.362 1.00 0.00 H new ATOM 0 HA SER A 36 14.160 -8.314 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.683 -9.375 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.072 -10.230 3.992 1.00 0.00 H new ATOM 0 HG SER A 36 12.316 -11.152 5.980 1.00 0.00 H new ATOM 543 N GLY A 37 14.735 -7.022 3.195 1.00 0.00 N ATOM 544 CA GLY A 37 15.601 -6.835 2.046 1.00 0.00 C ATOM 545 C GLY A 37 14.971 -7.325 0.757 1.00 0.00 C ATOM 546 O GLY A 37 15.638 -7.940 -0.074 1.00 0.00 O ATOM 0 H GLY A 37 14.365 -6.161 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.845 -5.777 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.539 -7.365 2.212 1.00 0.00 H new ATOM 550 N TYR A 38 13.681 -7.054 0.592 1.00 0.00 N ATOM 551 CA TYR A 38 12.959 -7.476 -0.602 1.00 0.00 C ATOM 552 C TYR A 38 13.045 -6.413 -1.694 1.00 0.00 C ATOM 553 O TYR A 38 13.551 -5.315 -1.469 1.00 0.00 O ATOM 554 CB TYR A 38 11.494 -7.759 -0.265 1.00 0.00 C ATOM 555 CG TYR A 38 10.801 -6.613 0.438 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.185 -5.600 -0.286 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.764 -6.542 1.825 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.552 -4.550 0.351 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.132 -5.497 2.470 1.00 0.00 C ATOM 560 CZ TYR A 38 9.528 -4.504 1.729 1.00 0.00 C ATOM 561 OH TYR A 38 8.898 -3.461 2.368 1.00 0.00 O ATOM 0 H TYR A 38 13.114 -6.544 1.270 1.00 0.00 H new ATOM 0 HA TYR A 38 13.423 -8.390 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.956 -7.988 -1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.440 -8.647 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.201 -5.634 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.238 -7.317 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.079 -3.770 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.111 -5.458 3.549 1.00 0.00 H new ATOM 0 HH TYR A 38 9.105 -3.491 3.325 1.00 0.00 H new ATOM 571 N SER A 39 12.544 -6.750 -2.878 1.00 0.00 N ATOM 572 CA SER A 39 12.566 -5.827 -4.007 1.00 0.00 C ATOM 573 C SER A 39 11.194 -5.191 -4.215 1.00 0.00 C ATOM 574 O SER A 39 10.197 -5.641 -3.651 1.00 0.00 O ATOM 575 CB SER A 39 13.000 -6.556 -5.281 1.00 0.00 C ATOM 576 OG SER A 39 14.093 -5.899 -5.896 1.00 0.00 O ATOM 0 H SER A 39 12.118 -7.655 -3.080 1.00 0.00 H new ATOM 0 HA SER A 39 13.284 -5.038 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.277 -7.582 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.163 -6.607 -5.978 1.00 0.00 H new ATOM 0 HG SER A 39 14.353 -6.385 -6.707 1.00 0.00 H new ATOM 582 N ASP A 40 11.154 -4.142 -5.029 1.00 0.00 N ATOM 583 CA ASP A 40 9.907 -3.442 -5.313 1.00 0.00 C ATOM 584 C ASP A 40 8.843 -4.412 -5.817 1.00 0.00 C ATOM 585 O ASP A 40 7.704 -4.398 -5.349 1.00 0.00 O ATOM 586 CB ASP A 40 10.140 -2.339 -6.347 1.00 0.00 C ATOM 587 CG ASP A 40 10.260 -2.882 -7.756 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.280 -3.540 -8.054 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.335 -2.651 -8.562 1.00 0.00 O ATOM 0 H ASP A 40 11.971 -3.758 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 40 9.553 -2.991 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.317 -1.626 -6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.048 -1.793 -6.093 1.00 0.00 H new ATOM 594 N SER A 41 9.222 -5.253 -6.774 1.00 0.00 N ATOM 595 CA SER A 41 8.298 -6.226 -7.346 1.00 0.00 C ATOM 596 C SER A 41 7.512 -6.938 -6.249 1.00 0.00 C ATOM 597 O SER A 41 6.301 -7.127 -6.362 1.00 0.00 O ATOM 598 CB SER A 41 9.061 -7.251 -8.187 1.00 0.00 C ATOM 599 OG SER A 41 8.679 -7.176 -9.550 1.00 0.00 O ATOM 0 H SER A 41 10.162 -5.280 -7.169 1.00 0.00 H new ATOM 0 HA SER A 41 7.595 -5.691 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.133 -7.076 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.869 -8.254 -7.807 1.00 0.00 H new ATOM 0 HG SER A 41 9.181 -7.839 -10.068 1.00 0.00 H new ATOM 605 N ALA A 42 8.210 -7.330 -5.189 1.00 0.00 N ATOM 606 CA ALA A 42 7.578 -8.018 -4.069 1.00 0.00 C ATOM 607 C ALA A 42 6.392 -7.222 -3.533 1.00 0.00 C ATOM 608 O ALA A 42 5.402 -7.795 -3.079 1.00 0.00 O ATOM 609 CB ALA A 42 8.592 -8.268 -2.963 1.00 0.00 C ATOM 0 H ALA A 42 9.214 -7.183 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 42 7.205 -8.977 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.106 -8.782 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.404 -8.885 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.993 -7.316 -2.615 1.00 0.00 H new ATOM 615 N VAL A 43 6.501 -5.899 -3.590 1.00 0.00 N ATOM 616 CA VAL A 43 5.438 -5.024 -3.110 1.00 0.00 C ATOM 617 C VAL A 43 4.327 -4.889 -4.147 1.00 0.00 C ATOM 618 O VAL A 43 3.182 -4.584 -3.809 1.00 0.00 O ATOM 619 CB VAL A 43 5.976 -3.623 -2.766 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.833 -2.626 -2.647 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.792 -3.666 -1.484 1.00 0.00 C ATOM 0 H VAL A 43 7.314 -5.409 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 43 5.035 -5.482 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 43 6.629 -3.295 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.233 -1.642 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.295 -2.575 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.152 -2.946 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.164 -2.667 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.164 -4.015 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.634 -4.347 -1.611 1.00 0.00 H new ATOM 631 N LEU A 44 4.672 -5.119 -5.409 1.00 0.00 N ATOM 632 CA LEU A 44 3.704 -5.025 -6.496 1.00 0.00 C ATOM 633 C LEU A 44 3.042 -6.374 -6.753 1.00 0.00 C ATOM 634 O LEU A 44 2.050 -6.463 -7.478 1.00 0.00 O ATOM 635 CB LEU A 44 4.388 -4.527 -7.771 1.00 0.00 C ATOM 636 CG LEU A 44 5.434 -3.428 -7.587 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.231 -3.230 -8.867 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.772 -2.127 -7.160 1.00 0.00 C ATOM 0 H LEU A 44 5.615 -5.372 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 44 2.932 -4.313 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.865 -5.377 -8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.620 -4.159 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 44 6.122 -3.736 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.971 -2.444 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.737 -4.159 -9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.557 -2.945 -9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.532 -1.356 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.060 -1.813 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.248 -2.278 -6.216 1.00 0.00 H new ATOM 650 N LYS A 45 3.595 -7.423 -6.154 1.00 0.00 N ATOM 651 CA LYS A 45 3.057 -8.769 -6.316 1.00 0.00 C ATOM 652 C LYS A 45 1.625 -8.848 -5.793 1.00 0.00 C ATOM 653 O LYS A 45 0.833 -9.676 -6.246 1.00 0.00 O ATOM 654 CB LYS A 45 3.936 -9.783 -5.581 1.00 0.00 C ATOM 655 CG LYS A 45 4.538 -10.838 -6.492 1.00 0.00 C ATOM 656 CD LYS A 45 4.730 -12.159 -5.765 1.00 0.00 C ATOM 657 CE LYS A 45 3.993 -13.292 -6.461 1.00 0.00 C ATOM 658 NZ LYS A 45 3.833 -14.478 -5.575 1.00 0.00 N ATOM 0 H LYS A 45 4.416 -7.367 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 45 3.051 -9.006 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.741 -9.252 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.342 -10.276 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.889 -10.988 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.498 -10.488 -6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.793 -12.394 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.372 -12.066 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.011 -12.943 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.538 -13.581 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.326 -15.228 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.770 -14.827 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.291 -14.209 -4.729 1.00 0.00 H new ATOM 672 N LEU A 46 1.300 -7.982 -4.840 1.00 0.00 N ATOM 673 CA LEU A 46 -0.038 -7.953 -4.258 1.00 0.00 C ATOM 674 C LEU A 46 -0.983 -7.108 -5.106 1.00 0.00 C ATOM 675 O LEU A 46 -2.177 -7.018 -4.820 1.00 0.00 O ATOM 676 CB LEU A 46 0.018 -7.401 -2.832 1.00 0.00 C ATOM 677 CG LEU A 46 1.243 -6.555 -2.487 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.951 -5.652 -1.299 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.443 -7.447 -2.199 1.00 0.00 C ATOM 0 H LEU A 46 1.943 -7.291 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.419 -8.974 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.874 -6.798 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.027 -8.240 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 46 1.480 -5.926 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.835 -5.057 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.121 -4.989 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.688 -6.262 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.306 -6.828 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.216 -8.101 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.667 -8.051 -3.078 1.00 0.00 H new ATOM 691 N ALA A 47 -0.441 -6.493 -6.152 1.00 0.00 N ATOM 692 CA ALA A 47 -1.237 -5.659 -7.044 1.00 0.00 C ATOM 693 C ALA A 47 -1.088 -6.108 -8.493 1.00 0.00 C ATOM 694 O ALA A 47 -1.802 -5.633 -9.376 1.00 0.00 O ATOM 695 CB ALA A 47 -0.837 -4.198 -6.898 1.00 0.00 C ATOM 0 H ALA A 47 0.546 -6.557 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.285 -5.767 -6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.440 -3.587 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.002 -3.877 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.217 -4.082 -7.150 1.00 0.00 H new ATOM 701 N GLU A 48 -0.155 -7.024 -8.731 1.00 0.00 N ATOM 702 CA GLU A 48 0.088 -7.536 -10.075 1.00 0.00 C ATOM 703 C GLU A 48 -1.157 -8.222 -10.629 1.00 0.00 C ATOM 704 O GLU A 48 -1.719 -7.818 -11.647 1.00 0.00 O ATOM 705 CB GLU A 48 1.263 -8.516 -10.067 1.00 0.00 C ATOM 706 CG GLU A 48 2.483 -8.008 -10.817 1.00 0.00 C ATOM 707 CD GLU A 48 2.593 -8.587 -12.214 1.00 0.00 C ATOM 708 OE1 GLU A 48 1.851 -8.126 -13.106 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.419 -9.501 -12.415 1.00 0.00 O ATOM 0 H GLU A 48 0.445 -7.427 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 48 0.333 -6.691 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.543 -8.726 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.942 -9.459 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.439 -6.921 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.382 -8.258 -10.253 1.00 0.00 H new ATOM 716 N PRO A 49 -1.600 -9.287 -9.944 1.00 0.00 N ATOM 717 CA PRO A 49 -2.782 -10.053 -10.348 1.00 0.00 C ATOM 718 C PRO A 49 -4.075 -9.268 -10.154 1.00 0.00 C ATOM 719 O PRO A 49 -5.166 -9.777 -10.412 1.00 0.00 O ATOM 720 CB PRO A 49 -2.751 -11.270 -9.421 1.00 0.00 C ATOM 721 CG PRO A 49 -1.998 -10.811 -8.220 1.00 0.00 C ATOM 722 CD PRO A 49 -0.979 -9.825 -8.721 1.00 0.00 C ATOM 0 HA PRO A 49 -2.760 -10.307 -11.408 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.758 -11.593 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.259 -12.118 -9.897 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.666 -10.347 -7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.515 -11.650 -7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.785 -9.040 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.024 -10.306 -8.933 1.00 0.00 H new ATOM 730 N TYR A 50 -3.945 -8.027 -9.700 1.00 0.00 N ATOM 731 CA TYR A 50 -5.104 -7.172 -9.470 1.00 0.00 C ATOM 732 C TYR A 50 -5.317 -6.216 -10.639 1.00 0.00 C ATOM 733 O TYR A 50 -6.450 -5.918 -11.014 1.00 0.00 O ATOM 734 CB TYR A 50 -4.931 -6.380 -8.173 1.00 0.00 C ATOM 735 CG TYR A 50 -5.105 -7.214 -6.925 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.029 -7.886 -6.357 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.346 -7.332 -6.312 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.184 -8.650 -5.217 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.511 -8.094 -5.171 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.427 -8.751 -4.628 1.00 0.00 C ATOM 741 OH TYR A 50 -5.585 -9.510 -3.491 1.00 0.00 O ATOM 0 H TYR A 50 -3.049 -7.590 -9.484 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.983 -7.811 -9.383 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.939 -5.929 -8.163 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.653 -5.563 -8.157 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.054 -7.809 -6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.197 -6.819 -6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.337 -9.165 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.483 -8.174 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.751 -9.506 -2.977 1.00 0.00 H new ATOM 751 N GLY A 51 -4.216 -5.738 -11.212 1.00 0.00 N ATOM 752 CA GLY A 51 -4.302 -4.821 -12.334 1.00 0.00 C ATOM 753 C GLY A 51 -2.938 -4.372 -12.821 1.00 0.00 C ATOM 754 O GLY A 51 -1.925 -4.620 -12.169 1.00 0.00 O ATOM 0 H GLY A 51 -3.267 -5.969 -10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.836 -5.303 -13.153 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.886 -3.948 -12.042 1.00 0.00 H new ATOM 758 N LYS A 52 -2.912 -3.711 -13.973 1.00 0.00 N ATOM 759 CA LYS A 52 -1.663 -3.227 -14.549 1.00 0.00 C ATOM 760 C LYS A 52 -1.078 -2.097 -13.708 1.00 0.00 C ATOM 761 O LYS A 52 -1.695 -1.042 -13.554 1.00 0.00 O ATOM 762 CB LYS A 52 -1.893 -2.742 -15.982 1.00 0.00 C ATOM 763 CG LYS A 52 -1.650 -3.813 -17.033 1.00 0.00 C ATOM 764 CD LYS A 52 -0.652 -3.351 -18.080 1.00 0.00 C ATOM 765 CE LYS A 52 -0.784 -4.151 -19.367 1.00 0.00 C ATOM 766 NZ LYS A 52 0.507 -4.229 -20.107 1.00 0.00 N ATOM 0 H LYS A 52 -3.742 -3.498 -14.526 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.953 -4.054 -14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.917 -2.380 -16.074 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.236 -1.895 -16.180 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.281 -4.719 -16.552 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.593 -4.070 -17.516 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.807 -2.293 -18.290 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.360 -3.453 -17.689 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.131 -5.158 -19.135 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.540 -3.692 -20.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.375 -4.782 -20.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.826 -3.270 -20.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.223 -4.690 -19.509 1.00 0.00 H new ATOM 780 N ILE A 53 0.114 -2.323 -13.168 1.00 0.00 N ATOM 781 CA ILE A 53 0.782 -1.323 -12.344 1.00 0.00 C ATOM 782 C ILE A 53 1.268 -0.151 -13.190 1.00 0.00 C ATOM 783 O ILE A 53 2.369 -0.180 -13.740 1.00 0.00 O ATOM 784 CB ILE A 53 1.981 -1.926 -11.587 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.505 -3.009 -10.616 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.740 -0.837 -10.845 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.388 -4.237 -10.602 1.00 0.00 C ATOM 0 H ILE A 53 0.638 -3.190 -13.286 1.00 0.00 H new ATOM 0 HA ILE A 53 0.048 -0.968 -11.621 1.00 0.00 H new ATOM 0 HB ILE A 53 2.657 -2.384 -12.310 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.462 -2.591 -9.610 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.490 -3.304 -10.882 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.584 -1.278 -10.315 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.105 -0.098 -11.558 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.075 -0.353 -10.129 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.991 -4.962 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.412 -4.680 -11.598 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.399 -3.955 -10.306 1.00 0.00 H new ATOM 799 N LYS A 54 0.439 0.883 -13.289 1.00 0.00 N ATOM 800 CA LYS A 54 0.784 2.069 -14.065 1.00 0.00 C ATOM 801 C LYS A 54 1.885 2.869 -13.376 1.00 0.00 C ATOM 802 O LYS A 54 2.605 3.631 -14.019 1.00 0.00 O ATOM 803 CB LYS A 54 -0.452 2.950 -14.264 1.00 0.00 C ATOM 804 CG LYS A 54 -0.866 3.098 -15.719 1.00 0.00 C ATOM 805 CD LYS A 54 -1.779 1.965 -16.157 1.00 0.00 C ATOM 806 CE LYS A 54 -1.549 1.596 -17.614 1.00 0.00 C ATOM 807 NZ LYS A 54 -0.520 0.529 -17.761 1.00 0.00 N ATOM 0 H LYS A 54 -0.477 0.924 -12.842 1.00 0.00 H new ATOM 0 HA LYS A 54 1.151 1.742 -15.038 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.283 2.528 -13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.254 3.938 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.376 4.052 -15.858 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.022 3.116 -16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.605 1.092 -15.528 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.819 2.259 -16.015 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.487 1.259 -18.056 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.236 2.481 -18.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.800 -0.120 -18.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.397 0.961 -17.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.438 0.000 -16.869 1.00 0.00 H new ATOM 821 N ASN A 55 2.011 2.687 -12.066 1.00 0.00 N ATOM 822 CA ASN A 55 3.026 3.391 -11.291 1.00 0.00 C ATOM 823 C ASN A 55 3.101 2.844 -9.868 1.00 0.00 C ATOM 824 O ASN A 55 2.112 2.343 -9.332 1.00 0.00 O ATOM 825 CB ASN A 55 2.723 4.890 -11.257 1.00 0.00 C ATOM 826 CG ASN A 55 3.977 5.736 -11.367 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.311 6.234 -12.441 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.676 5.903 -10.250 1.00 0.00 N ATOM 0 H ASN A 55 1.423 2.058 -11.519 1.00 0.00 H new ATOM 0 HA ASN A 55 3.990 3.233 -11.774 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.047 5.140 -12.074 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.205 5.132 -10.329 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.528 6.464 -10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.361 5.471 -9.382 1.00 0.00 H new ATOM 835 N TYR A 56 4.279 2.943 -9.263 1.00 0.00 N ATOM 836 CA TYR A 56 4.484 2.457 -7.904 1.00 0.00 C ATOM 837 C TYR A 56 5.486 3.332 -7.158 1.00 0.00 C ATOM 838 O TYR A 56 6.356 3.956 -7.767 1.00 0.00 O ATOM 839 CB TYR A 56 4.973 1.008 -7.927 1.00 0.00 C ATOM 840 CG TYR A 56 6.457 0.874 -8.186 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.962 0.901 -9.479 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.354 0.721 -7.134 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.317 0.777 -9.719 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.710 0.599 -7.366 1.00 0.00 C ATOM 845 CZ TYR A 56 9.187 0.627 -8.660 1.00 0.00 C ATOM 846 OH TYR A 56 10.537 0.505 -8.895 1.00 0.00 O ATOM 0 H TYR A 56 5.107 3.356 -9.692 1.00 0.00 H new ATOM 0 HA TYR A 56 3.529 2.503 -7.381 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.735 0.538 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.428 0.461 -8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.284 1.021 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.984 0.697 -6.120 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.693 0.797 -10.731 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.394 0.482 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 56 11.010 0.408 -8.042 1.00 0.00 H new ATOM 856 N ILE A 57 5.358 3.372 -5.836 1.00 0.00 N ATOM 857 CA ILE A 57 6.252 4.169 -5.005 1.00 0.00 C ATOM 858 C ILE A 57 6.722 3.379 -3.789 1.00 0.00 C ATOM 859 O ILE A 57 5.918 2.984 -2.943 1.00 0.00 O ATOM 860 CB ILE A 57 5.573 5.467 -4.530 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.476 6.469 -5.683 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.338 6.068 -3.361 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.779 7.182 -5.974 1.00 0.00 C ATOM 0 H ILE A 57 4.643 2.861 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 57 7.112 4.425 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 57 4.564 5.230 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.148 5.946 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.711 7.209 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.846 6.985 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.359 5.356 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.358 6.294 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.637 7.876 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.098 7.733 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.542 6.451 -6.241 1.00 0.00 H new ATOM 875 N LEU A 58 8.027 3.154 -3.705 1.00 0.00 N ATOM 876 CA LEU A 58 8.606 2.412 -2.589 1.00 0.00 C ATOM 877 C LEU A 58 9.349 3.347 -1.641 1.00 0.00 C ATOM 878 O LEU A 58 10.514 3.676 -1.864 1.00 0.00 O ATOM 879 CB LEU A 58 9.557 1.331 -3.108 1.00 0.00 C ATOM 880 CG LEU A 58 9.194 -0.110 -2.748 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.128 -0.284 -1.239 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.872 -0.503 -3.392 1.00 0.00 C ATOM 0 H LEU A 58 8.706 3.474 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 58 7.793 1.938 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.609 1.411 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.556 1.540 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 58 9.973 -0.768 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.868 -1.316 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.098 -0.045 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.371 0.384 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.629 -1.532 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.083 0.160 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.956 -0.419 -4.476 1.00 0.00 H new ATOM 894 N MET A 59 8.668 3.770 -0.581 1.00 0.00 N ATOM 895 CA MET A 59 9.266 4.664 0.404 1.00 0.00 C ATOM 896 C MET A 59 9.795 3.881 1.600 1.00 0.00 C ATOM 897 O MET A 59 9.023 3.326 2.382 1.00 0.00 O ATOM 898 CB MET A 59 8.242 5.700 0.870 1.00 0.00 C ATOM 899 CG MET A 59 7.874 6.717 -0.198 1.00 0.00 C ATOM 900 SD MET A 59 6.881 8.075 0.447 1.00 0.00 S ATOM 901 CE MET A 59 5.746 8.341 -0.913 1.00 0.00 C ATOM 0 H MET A 59 7.702 3.508 -0.382 1.00 0.00 H new ATOM 0 HA MET A 59 10.103 5.177 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.338 5.184 1.195 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.639 6.226 1.738 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.785 7.118 -0.642 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.324 6.217 -0.996 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.919 8.968 -0.580 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.269 8.835 -1.732 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.358 7.382 -1.256 1.00 0.00 H new ATOM 911 N ARG A 60 11.117 3.839 1.737 1.00 0.00 N ATOM 912 CA ARG A 60 11.749 3.121 2.837 1.00 0.00 C ATOM 913 C ARG A 60 11.868 4.012 4.070 1.00 0.00 C ATOM 914 O ARG A 60 12.167 3.537 5.165 1.00 0.00 O ATOM 915 CB ARG A 60 13.134 2.622 2.420 1.00 0.00 C ATOM 916 CG ARG A 60 13.734 1.615 3.387 1.00 0.00 C ATOM 917 CD ARG A 60 15.000 2.152 4.037 1.00 0.00 C ATOM 918 NE ARG A 60 15.099 1.768 5.442 1.00 0.00 N ATOM 919 CZ ARG A 60 16.193 1.941 6.176 1.00 0.00 C ATOM 920 NH1 ARG A 60 17.274 2.492 5.641 1.00 0.00 N ATOM 921 NH2 ARG A 60 16.206 1.565 7.448 1.00 0.00 N ATOM 0 H ARG A 60 11.771 4.294 1.100 1.00 0.00 H new ATOM 0 HA ARG A 60 11.122 2.265 3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.065 2.168 1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.807 3.475 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.004 1.370 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.960 0.690 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.871 1.779 3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.016 3.239 3.956 1.00 0.00 H new ATOM 0 HE ARG A 60 14.284 1.344 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.267 2.784 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.112 2.624 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.376 1.143 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 60 17.046 1.698 8.011 1.00 0.00 H new ATOM 935 N MET A 61 11.631 5.306 3.883 1.00 0.00 N ATOM 936 CA MET A 61 11.711 6.264 4.981 1.00 0.00 C ATOM 937 C MET A 61 10.907 5.781 6.184 1.00 0.00 C ATOM 938 O MET A 61 11.469 5.280 7.159 1.00 0.00 O ATOM 939 CB MET A 61 11.202 7.634 4.529 1.00 0.00 C ATOM 940 CG MET A 61 12.313 8.627 4.228 1.00 0.00 C ATOM 941 SD MET A 61 12.241 9.260 2.541 1.00 0.00 S ATOM 942 CE MET A 61 13.361 8.135 1.710 1.00 0.00 C ATOM 0 H MET A 61 11.382 5.716 2.983 1.00 0.00 H new ATOM 0 HA MET A 61 12.756 6.353 5.277 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.587 7.508 3.638 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.557 8.047 5.305 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.249 9.460 4.928 1.00 0.00 H new ATOM 0 HG3 MET A 61 13.278 8.147 4.391 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.423 8.398 0.654 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.351 8.208 2.161 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.991 7.114 1.809 1.00 0.00 H new ATOM 952 N LYS A 62 9.590 5.933 6.109 1.00 0.00 N ATOM 953 CA LYS A 62 8.708 5.512 7.191 1.00 0.00 C ATOM 954 C LYS A 62 7.929 4.260 6.801 1.00 0.00 C ATOM 955 O LYS A 62 6.728 4.161 7.051 1.00 0.00 O ATOM 956 CB LYS A 62 7.736 6.638 7.552 1.00 0.00 C ATOM 957 CG LYS A 62 8.408 7.838 8.196 1.00 0.00 C ATOM 958 CD LYS A 62 8.574 8.981 7.207 1.00 0.00 C ATOM 959 CE LYS A 62 8.320 10.328 7.865 1.00 0.00 C ATOM 960 NZ LYS A 62 9.400 10.687 8.827 1.00 0.00 N ATOM 0 H LYS A 62 9.109 6.345 5.309 1.00 0.00 H new ATOM 0 HA LYS A 62 9.324 5.280 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.218 6.963 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.978 6.248 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.816 8.175 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.384 7.546 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.582 8.962 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.884 8.846 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.246 11.099 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.363 10.303 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.191 11.612 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.454 9.965 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.310 10.736 8.325 1.00 0.00 H new ATOM 974 N SER A 63 8.622 3.305 6.189 1.00 0.00 N ATOM 975 CA SER A 63 7.994 2.058 5.763 1.00 0.00 C ATOM 976 C SER A 63 6.628 2.325 5.139 1.00 0.00 C ATOM 977 O SER A 63 5.594 2.105 5.769 1.00 0.00 O ATOM 978 CB SER A 63 7.848 1.104 6.950 1.00 0.00 C ATOM 979 OG SER A 63 9.111 0.617 7.371 1.00 0.00 O ATOM 0 H SER A 63 9.618 3.370 5.977 1.00 0.00 H new ATOM 0 HA SER A 63 8.634 1.595 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.359 1.619 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.207 0.268 6.672 1.00 0.00 H new ATOM 0 HG SER A 63 8.991 0.011 8.132 1.00 0.00 H new ATOM 985 N GLN A 64 6.633 2.800 3.898 1.00 0.00 N ATOM 986 CA GLN A 64 5.394 3.096 3.189 1.00 0.00 C ATOM 987 C GLN A 64 5.573 2.920 1.684 1.00 0.00 C ATOM 988 O GLN A 64 6.690 2.981 1.170 1.00 0.00 O ATOM 989 CB GLN A 64 4.935 4.523 3.496 1.00 0.00 C ATOM 990 CG GLN A 64 4.239 4.662 4.841 1.00 0.00 C ATOM 991 CD GLN A 64 3.382 5.908 4.928 1.00 0.00 C ATOM 992 OE1 GLN A 64 3.169 6.601 3.932 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.885 6.203 6.124 1.00 0.00 N ATOM 0 H GLN A 64 7.481 2.988 3.363 1.00 0.00 H new ATOM 0 HA GLN A 64 4.633 2.395 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.799 5.187 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.257 4.855 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.616 3.785 5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.988 4.685 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.087 5.601 6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.302 7.031 6.244 1.00 0.00 H new ATOM 1002 N ALA A 65 4.464 2.703 0.983 1.00 0.00 N ATOM 1003 CA ALA A 65 4.499 2.520 -0.463 1.00 0.00 C ATOM 1004 C ALA A 65 3.131 2.786 -1.082 1.00 0.00 C ATOM 1005 O ALA A 65 2.098 2.545 -0.457 1.00 0.00 O ATOM 1006 CB ALA A 65 4.971 1.115 -0.805 1.00 0.00 C ATOM 0 H ALA A 65 3.531 2.650 1.393 1.00 0.00 H new ATOM 0 HA ALA A 65 5.204 3.240 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.992 0.992 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.972 0.959 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.287 0.386 -0.370 1.00 0.00 H new ATOM 1012 N PHE A 66 3.132 3.284 -2.314 1.00 0.00 N ATOM 1013 CA PHE A 66 1.890 3.585 -3.017 1.00 0.00 C ATOM 1014 C PHE A 66 1.897 2.975 -4.416 1.00 0.00 C ATOM 1015 O PHE A 66 2.717 3.339 -5.259 1.00 0.00 O ATOM 1016 CB PHE A 66 1.685 5.099 -3.110 1.00 0.00 C ATOM 1017 CG PHE A 66 1.730 5.792 -1.777 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.941 6.152 -1.210 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.561 6.082 -1.093 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.986 6.789 0.015 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.599 6.722 0.131 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.813 7.074 0.687 1.00 0.00 C ATOM 0 H PHE A 66 3.978 3.488 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 66 1.066 3.148 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.453 5.523 -3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.723 5.299 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.861 5.932 -1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.391 5.805 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.937 7.064 0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.320 6.947 0.652 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.845 7.571 1.645 1.00 0.00 H new ATOM 1032 N ILE A 67 0.977 2.047 -4.654 1.00 0.00 N ATOM 1033 CA ILE A 67 0.875 1.386 -5.950 1.00 0.00 C ATOM 1034 C ILE A 67 -0.367 1.845 -6.705 1.00 0.00 C ATOM 1035 O ILE A 67 -1.491 1.508 -6.333 1.00 0.00 O ATOM 1036 CB ILE A 67 0.834 -0.145 -5.800 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.111 -0.648 -5.121 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.655 -0.806 -7.158 1.00 0.00 C ATOM 1039 CD1 ILE A 67 2.032 -2.092 -4.678 1.00 0.00 C ATOM 0 H ILE A 67 0.291 1.735 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 67 1.764 1.663 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.017 -0.411 -5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.948 -0.533 -5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.323 -0.022 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.628 -1.889 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.279 -0.468 -7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.488 -0.535 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.971 -2.380 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.216 -2.210 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.851 -2.729 -5.544 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.157 2.615 -7.769 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.261 3.120 -8.576 1.00 0.00 C ATOM 1053 C GLU A 68 -1.694 2.085 -9.612 1.00 0.00 C ATOM 1054 O GLU A 68 -1.025 1.889 -10.626 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.858 4.419 -9.277 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.866 4.890 -10.312 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.207 5.364 -11.593 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.115 5.965 -11.512 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -1.783 5.132 -12.677 1.00 0.00 O ATOM 0 H GLU A 68 0.767 2.902 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.101 3.320 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.726 5.200 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.108 4.276 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.554 4.076 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.461 5.701 -9.892 1.00 0.00 H new ATOM 1066 N MET A 69 -2.817 1.426 -9.347 1.00 0.00 N ATOM 1067 CA MET A 69 -3.340 0.412 -10.256 1.00 0.00 C ATOM 1068 C MET A 69 -3.764 1.036 -11.581 1.00 0.00 C ATOM 1069 O MET A 69 -3.793 2.259 -11.720 1.00 0.00 O ATOM 1070 CB MET A 69 -4.526 -0.313 -9.617 1.00 0.00 C ATOM 1071 CG MET A 69 -4.214 -0.902 -8.251 1.00 0.00 C ATOM 1072 SD MET A 69 -4.581 -2.664 -8.155 1.00 0.00 S ATOM 1073 CE MET A 69 -3.478 -3.309 -9.410 1.00 0.00 C ATOM 0 H MET A 69 -3.382 1.575 -8.511 1.00 0.00 H new ATOM 0 HA MET A 69 -2.546 -0.308 -10.452 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.359 0.384 -9.521 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.854 -1.112 -10.282 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.160 -0.741 -8.022 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.789 -0.373 -7.491 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.401 -4.391 -9.305 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.870 -3.067 -10.398 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.491 -2.862 -9.292 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.091 0.188 -12.552 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.512 0.659 -13.866 1.00 0.00 C ATOM 1085 C GLU A 70 -5.930 1.222 -13.814 1.00 0.00 C ATOM 1086 O GLU A 70 -6.180 2.348 -14.244 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.440 -0.478 -14.887 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.774 -0.045 -16.305 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.342 -1.175 -17.141 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -4.564 -2.065 -17.544 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.565 -1.169 -17.392 1.00 0.00 O ATOM 0 H GLU A 70 -4.072 -0.827 -12.453 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.834 1.456 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.437 -0.905 -14.873 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.127 -1.269 -14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.493 0.774 -16.271 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.874 0.340 -16.785 1.00 0.00 H new ATOM 1098 N THR A 71 -6.856 0.427 -13.286 1.00 0.00 N ATOM 1099 CA THR A 71 -8.249 0.843 -13.178 1.00 0.00 C ATOM 1100 C THR A 71 -8.714 0.839 -11.727 1.00 0.00 C ATOM 1101 O THR A 71 -8.018 0.338 -10.844 1.00 0.00 O ATOM 1102 CB THR A 71 -9.173 -0.071 -14.005 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.555 -1.212 -13.229 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.482 -0.527 -15.281 1.00 0.00 C ATOM 0 H THR A 71 -6.666 -0.509 -12.927 1.00 0.00 H new ATOM 0 HA THR A 71 -8.307 1.858 -13.571 1.00 0.00 H new ATOM 0 HB THR A 71 -10.062 0.498 -14.276 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.779 -1.796 -13.102 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.154 -1.171 -15.848 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.219 0.343 -15.883 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.578 -1.080 -15.027 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.895 1.397 -11.487 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.453 1.458 -10.142 1.00 0.00 C ATOM 1114 C ARG A 72 -10.761 0.059 -9.617 1.00 0.00 C ATOM 1115 O ARG A 72 -10.322 -0.317 -8.531 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.725 2.308 -10.132 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.584 3.605 -9.350 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.085 4.796 -10.152 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.527 4.982 -10.015 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.183 6.028 -10.505 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -13.529 6.977 -11.160 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -15.496 6.126 -10.339 1.00 0.00 N ATOM 0 H ARG A 72 -10.485 1.814 -12.207 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.711 1.918 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.004 2.541 -11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.540 1.723 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.144 3.532 -8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.538 3.758 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.570 5.698 -9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.836 4.655 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.060 4.270 -9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.520 6.905 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.035 7.779 -11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.002 5.398 -9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.999 6.929 -10.715 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.518 -0.707 -10.397 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.884 -2.065 -10.010 1.00 0.00 C ATOM 1138 C GLU A 73 -10.730 -2.754 -9.286 1.00 0.00 C ATOM 1139 O GLU A 73 -10.858 -3.147 -8.126 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.288 -2.879 -11.241 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.701 -2.595 -11.721 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.539 -3.853 -11.844 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.025 -4.860 -12.375 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.709 -3.832 -11.408 1.00 0.00 O ATOM 0 H GLU A 73 -11.889 -0.411 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.733 -2.005 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.589 -2.669 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.198 -3.940 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.185 -1.907 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.658 -2.095 -12.689 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.606 -2.897 -9.980 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.430 -3.539 -9.405 1.00 0.00 C ATOM 1153 C ASP A 74 -8.126 -2.976 -8.020 1.00 0.00 C ATOM 1154 O ASP A 74 -8.311 -3.652 -7.009 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.220 -3.351 -10.322 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.522 -3.724 -11.760 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.282 -4.691 -11.976 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.996 -3.049 -12.671 1.00 0.00 O ATOM 0 H ASP A 74 -9.485 -2.577 -10.941 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.640 -4.604 -9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.893 -2.312 -10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.393 -3.960 -9.957 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.657 -1.732 -7.983 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.328 -1.078 -6.722 1.00 0.00 C ATOM 1165 C ALA A 75 -8.369 -1.391 -5.653 1.00 0.00 C ATOM 1166 O ALA A 75 -8.045 -1.938 -4.601 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.210 0.426 -6.925 1.00 0.00 C ATOM 0 H ALA A 75 -7.497 -1.158 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.368 -1.464 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.964 0.903 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.424 0.635 -7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.158 0.819 -7.294 1.00 0.00 H new ATOM 1173 N MET A 76 -9.620 -1.038 -5.932 1.00 0.00 N ATOM 1174 CA MET A 76 -10.709 -1.282 -4.993 1.00 0.00 C ATOM 1175 C MET A 76 -10.763 -2.754 -4.593 1.00 0.00 C ATOM 1176 O MET A 76 -11.081 -3.085 -3.451 1.00 0.00 O ATOM 1177 CB MET A 76 -12.044 -0.859 -5.607 1.00 0.00 C ATOM 1178 CG MET A 76 -12.074 0.592 -6.057 1.00 0.00 C ATOM 1179 SD MET A 76 -13.006 1.649 -4.931 1.00 0.00 S ATOM 1180 CE MET A 76 -11.857 3.006 -4.712 1.00 0.00 C ATOM 0 H MET A 76 -9.904 -0.583 -6.799 1.00 0.00 H new ATOM 0 HA MET A 76 -10.524 -0.687 -4.098 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.261 -1.500 -6.461 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.837 -1.021 -4.877 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.053 0.965 -6.138 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.514 0.651 -7.052 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.484 3.006 -3.688 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.021 2.890 -5.402 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.365 3.949 -4.913 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.449 -3.631 -5.540 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.460 -5.066 -5.286 1.00 0.00 C ATOM 1192 C ALA A 77 -9.338 -5.464 -4.333 1.00 0.00 C ATOM 1193 O ALA A 77 -9.478 -6.406 -3.554 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.342 -5.835 -6.594 1.00 0.00 C ATOM 0 H ALA A 77 -10.184 -3.373 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.409 -5.319 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.352 -6.905 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.181 -5.582 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.408 -5.569 -7.090 1.00 0.00 H new ATOM 1200 N MET A 78 -8.226 -4.740 -4.402 1.00 0.00 N ATOM 1201 CA MET A 78 -7.080 -5.018 -3.545 1.00 0.00 C ATOM 1202 C MET A 78 -7.392 -4.676 -2.091 1.00 0.00 C ATOM 1203 O MET A 78 -7.282 -5.524 -1.206 1.00 0.00 O ATOM 1204 CB MET A 78 -5.859 -4.225 -4.016 1.00 0.00 C ATOM 1205 CG MET A 78 -4.535 -4.909 -3.713 1.00 0.00 C ATOM 1206 SD MET A 78 -3.112 -3.927 -4.226 1.00 0.00 S ATOM 1207 CE MET A 78 -1.995 -4.209 -2.855 1.00 0.00 C ATOM 0 H MET A 78 -8.094 -3.957 -5.042 1.00 0.00 H new ATOM 0 HA MET A 78 -6.860 -6.084 -3.610 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.936 -4.060 -5.091 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.868 -3.244 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.469 -5.106 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.506 -5.875 -4.217 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.975 -4.296 -3.229 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.056 -3.373 -2.158 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.273 -5.130 -2.342 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.783 -3.428 -1.852 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.113 -2.975 -0.506 1.00 0.00 C ATOM 1219 C VAL A 79 -9.216 -3.831 0.108 1.00 0.00 C ATOM 1220 O VAL A 79 -9.186 -4.140 1.298 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.560 -1.501 -0.504 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.557 -0.637 -1.253 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.950 -1.366 -1.107 1.00 0.00 C ATOM 0 H VAL A 79 -7.879 -2.713 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.207 -3.073 0.092 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.602 -1.153 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.890 0.401 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.582 -0.711 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.479 -0.981 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.250 -0.318 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.938 -1.731 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.659 -1.952 -0.522 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.188 -4.210 -0.714 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.302 -5.032 -0.254 1.00 0.00 C ATOM 1235 C ASP A 80 -10.817 -6.414 0.171 1.00 0.00 C ATOM 1236 O ASP A 80 -11.210 -6.925 1.220 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.356 -5.163 -1.355 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.664 -4.490 -0.987 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.939 -4.349 0.224 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.411 -4.105 -1.909 1.00 0.00 O ATOM 0 H ASP A 80 -10.227 -3.961 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.751 -4.542 0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.972 -4.725 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.538 -6.219 -1.556 1.00 0.00 H new ATOM 1245 N HIS A 81 -9.962 -7.014 -0.650 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.424 -8.339 -0.359 1.00 0.00 C ATOM 1247 C HIS A 81 -8.741 -8.360 1.004 1.00 0.00 C ATOM 1248 O HIS A 81 -8.507 -9.425 1.576 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.435 -8.760 -1.445 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.324 -10.245 -1.612 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.982 -10.943 -2.602 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -7.624 -11.165 -0.907 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.694 -12.228 -2.498 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -7.870 -12.389 -1.477 1.00 0.00 N ATOM 0 H HIS A 81 -9.626 -6.605 -1.522 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.254 -9.046 -0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.740 -8.318 -2.394 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.452 -8.355 -1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.990 -10.972 -0.054 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.068 -13.013 -3.138 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -7.480 -13.278 -1.164 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.423 -7.178 1.519 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.764 -7.060 2.816 1.00 0.00 C ATOM 1264 C CYS A 82 -8.790 -6.922 3.937 1.00 0.00 C ATOM 1265 O CYS A 82 -8.499 -7.210 5.098 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.818 -5.859 2.824 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.264 -5.366 4.472 1.00 0.00 S ATOM 0 H CYS A 82 -8.610 -6.287 1.059 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.187 -7.969 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.945 -6.094 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.318 -5.013 2.353 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.969 -5.987 5.371 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.991 -6.479 3.581 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.060 -6.301 4.557 1.00 0.00 C ATOM 1275 C LEU A 83 -11.644 -7.646 4.977 1.00 0.00 C ATOM 1276 O LEU A 83 -11.745 -7.948 6.166 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.162 -5.411 3.978 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.789 -3.948 3.739 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -13.029 -3.125 3.427 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.060 -3.381 4.949 1.00 0.00 C ATOM 0 H LEU A 83 -10.249 -6.237 2.624 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.638 -5.819 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.488 -5.841 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.017 -5.441 4.653 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.120 -3.898 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.744 -2.086 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.510 -3.518 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.723 -3.180 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.801 -2.339 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.706 -3.444 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.150 -3.954 5.127 1.00 0.00 H new ATOM 1292 N LYS A 84 -12.027 -8.452 3.992 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.598 -9.767 4.257 1.00 0.00 C ATOM 1294 C LYS A 84 -11.522 -10.744 4.722 1.00 0.00 C ATOM 1295 O LYS A 84 -11.748 -11.550 5.626 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.285 -10.309 3.003 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.514 -9.517 2.592 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.196 -8.530 1.481 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.344 -9.168 0.109 1.00 0.00 C ATOM 1300 NZ LYS A 84 -15.773 -9.391 -0.248 1.00 0.00 N ATOM 0 H LYS A 84 -11.952 -8.217 3.002 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.336 -9.661 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.571 -10.309 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.573 -11.346 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.294 -10.201 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.907 -8.980 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.860 -7.669 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.178 -8.159 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.878 -8.529 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.813 -10.120 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.852 -9.567 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.137 -10.213 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.329 -8.548 0.002 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.349 -10.665 4.101 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.237 -11.540 4.452 1.00 0.00 C ATOM 1316 C LYS A 85 -7.992 -10.726 4.792 1.00 0.00 C ATOM 1317 O LYS A 85 -7.837 -9.594 4.338 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.933 -12.501 3.300 1.00 0.00 C ATOM 1319 CG LYS A 85 -10.080 -13.442 2.975 1.00 0.00 C ATOM 1320 CD LYS A 85 -10.317 -13.535 1.477 1.00 0.00 C ATOM 1321 CE LYS A 85 -10.493 -14.978 1.029 1.00 0.00 C ATOM 1322 NZ LYS A 85 -11.662 -15.138 0.120 1.00 0.00 N ATOM 0 H LYS A 85 -10.145 -10.004 3.352 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.524 -12.117 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.686 -11.922 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.051 -13.090 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.862 -14.433 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.988 -13.094 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.204 -12.960 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.476 -13.088 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.589 -15.313 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.622 -15.616 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.748 -16.135 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.528 -14.842 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.527 -14.549 -0.726 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.108 -11.313 5.592 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.875 -10.644 5.989 1.00 0.00 C ATOM 1338 C ALA A 86 -4.823 -10.732 4.888 1.00 0.00 C ATOM 1339 O ALA A 86 -4.359 -11.820 4.545 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.341 -11.244 7.281 1.00 0.00 C ATOM 0 H ALA A 86 -7.223 -12.250 5.978 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.100 -9.591 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.420 -10.735 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.082 -11.123 8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.138 -12.305 7.133 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.452 -9.581 4.337 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.455 -9.529 3.274 1.00 0.00 C ATOM 1348 C LEU A 87 -2.043 -9.622 3.847 1.00 0.00 C ATOM 1349 O LEU A 87 -1.561 -8.690 4.490 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.606 -8.237 2.470 1.00 0.00 C ATOM 1351 CG LEU A 87 -3.094 -8.279 1.030 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.911 -7.351 0.144 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.619 -7.908 0.978 1.00 0.00 C ATOM 0 H LEU A 87 -4.827 -8.672 4.609 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.617 -10.382 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.661 -7.966 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.081 -7.441 2.998 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.206 -9.296 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.531 -7.395 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.955 -7.662 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.833 -6.330 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.271 -7.943 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.483 -6.901 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.045 -8.614 1.578 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.387 -10.750 3.605 1.00 0.00 N ATOM 1366 CA TRP A 88 -0.029 -10.964 4.095 1.00 0.00 C ATOM 1367 C TRP A 88 0.974 -10.933 2.948 1.00 0.00 C ATOM 1368 O TRP A 88 0.900 -11.742 2.023 1.00 0.00 O ATOM 1369 CB TRP A 88 0.064 -12.301 4.833 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.706 -12.323 6.119 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -2.020 -12.658 6.283 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.208 -11.994 7.421 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.369 -12.558 7.609 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.275 -12.154 8.328 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.035 -11.584 7.910 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -1.134 -11.915 9.692 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.173 -11.346 9.265 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.094 -11.514 10.143 1.00 0.00 C ATOM 0 H TRP A 88 -1.772 -11.531 3.073 1.00 0.00 H new ATOM 0 HA TRP A 88 0.213 -10.157 4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.306 -13.094 4.183 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.111 -12.521 5.041 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.687 -12.957 5.488 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.293 -12.753 7.995 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.873 -11.455 7.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.965 -12.042 10.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.128 -11.025 9.653 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.234 -11.323 11.197 1.00 0.00 H new ATOM 1433 N ARG A 92 3.897 -10.331 7.233 1.00 0.00 N ATOM 1434 CA ARG A 92 3.331 -9.166 7.901 1.00 0.00 C ATOM 1435 C ARG A 92 1.919 -8.883 7.397 1.00 0.00 C ATOM 1436 O ARG A 92 1.564 -9.252 6.277 1.00 0.00 O ATOM 1437 CB ARG A 92 4.220 -7.941 7.676 1.00 0.00 C ATOM 1438 CG ARG A 92 5.585 -8.049 8.335 1.00 0.00 C ATOM 1439 CD ARG A 92 6.004 -6.732 8.969 1.00 0.00 C ATOM 1440 NE ARG A 92 7.445 -6.667 9.194 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.021 -5.810 10.030 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.281 -4.951 10.717 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.339 -5.812 10.180 1.00 0.00 N ATOM 0 HA ARG A 92 3.281 -9.379 8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.354 -7.792 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.710 -7.057 8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.562 -8.829 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.325 -8.349 7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.700 -5.907 8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.483 -6.604 9.918 1.00 0.00 H new ATOM 0 HE ARG A 92 8.043 -7.315 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.267 -4.947 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.725 -4.294 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.911 -6.472 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.780 -5.154 10.822 1.00 0.00 H new ATOM 1457 N CYS A 93 1.120 -8.227 8.231 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.254 -7.895 7.871 1.00 0.00 C ATOM 1459 C CYS A 93 -0.337 -6.493 7.279 1.00 0.00 C ATOM 1460 O CYS A 93 -1.214 -5.705 7.640 1.00 0.00 O ATOM 1461 CB CYS A 93 -1.164 -8.001 9.096 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.930 -7.969 8.709 1.00 0.00 S ATOM 0 H CYS A 93 1.400 -7.915 9.161 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.589 -8.608 7.117 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.936 -8.926 9.626 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.937 -7.180 9.776 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.206 -6.896 8.030 1.00 0.00 H new ATOM 1468 N VAL A 94 0.581 -6.184 6.368 1.00 0.00 N ATOM 1469 CA VAL A 94 0.611 -4.875 5.727 1.00 0.00 C ATOM 1470 C VAL A 94 -0.798 -4.339 5.503 1.00 0.00 C ATOM 1471 O VAL A 94 -1.688 -5.067 5.062 1.00 0.00 O ATOM 1472 CB VAL A 94 1.348 -4.930 4.375 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.737 -5.996 3.477 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.318 -3.569 3.696 1.00 0.00 C ATOM 0 H VAL A 94 1.313 -6.823 6.058 1.00 0.00 H new ATOM 0 HA VAL A 94 1.148 -4.206 6.399 1.00 0.00 H new ATOM 0 HB VAL A 94 2.389 -5.196 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.270 -6.020 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.815 -6.969 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.313 -5.763 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.843 -3.626 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.284 -3.271 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.806 -2.833 4.335 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.994 -3.061 5.810 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.296 -2.424 5.642 1.00 0.00 C ATOM 1486 C LYS A 95 -2.444 -1.853 4.236 1.00 0.00 C ATOM 1487 O LYS A 95 -1.681 -0.977 3.827 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.481 -1.313 6.678 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.829 -1.352 7.377 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.697 -1.813 8.819 1.00 0.00 C ATOM 1491 CE LYS A 95 -3.996 -3.298 8.959 1.00 0.00 C ATOM 1492 NZ LYS A 95 -5.454 -3.557 9.113 1.00 0.00 N ATOM 0 H LYS A 95 -0.268 -2.446 6.177 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.065 -3.182 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.691 -1.389 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.363 -0.347 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.282 -0.361 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.499 -2.023 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.688 -1.609 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.380 -1.242 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.623 -3.828 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.463 -3.696 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.617 -4.580 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.805 -3.072 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.960 -3.200 8.278 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.431 -2.353 3.500 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.682 -1.889 2.140 1.00 0.00 C ATOM 1508 C VAL A 96 -4.993 -1.117 2.055 1.00 0.00 C ATOM 1509 O VAL A 96 -6.073 -1.692 2.185 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.726 -3.065 1.146 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.659 -4.156 1.649 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.153 -2.581 -0.232 1.00 0.00 C ATOM 0 H VAL A 96 -4.070 -3.080 3.822 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.857 -1.228 1.874 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.724 -3.487 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.677 -4.978 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.305 -4.522 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.665 -3.751 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.179 -3.424 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.145 -2.133 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.442 -1.838 -0.593 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.890 0.190 1.836 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.067 1.042 1.732 1.00 0.00 C ATOM 1524 C ASP A 97 -5.870 2.114 0.664 1.00 0.00 C ATOM 1525 O ASP A 97 -4.791 2.697 0.546 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.370 1.698 3.080 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.927 0.715 4.090 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -7.945 0.060 3.781 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -6.347 0.599 5.190 1.00 0.00 O ATOM 0 H ASP A 97 -4.003 0.681 1.727 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.912 0.417 1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.458 2.144 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.084 2.508 2.934 1.00 0.00 H new ATOM 1534 N LEU A 98 -6.917 2.368 -0.113 1.00 0.00 N ATOM 1535 CA LEU A 98 -6.859 3.369 -1.172 1.00 0.00 C ATOM 1536 C LEU A 98 -6.625 4.761 -0.594 1.00 0.00 C ATOM 1537 O LEU A 98 -7.166 5.107 0.456 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.153 3.354 -1.988 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.025 2.895 -3.440 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.526 1.467 -3.596 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.789 3.833 -4.365 1.00 0.00 C ATOM 0 H LEU A 98 -7.817 1.894 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.022 3.122 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.869 2.705 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.575 4.359 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.971 2.921 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.427 1.158 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.937 0.804 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.574 1.415 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.687 3.491 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.843 3.839 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.385 4.841 -4.276 1.00 0.00 H new ATOM 1553 N SER A 99 -5.818 5.557 -1.288 1.00 0.00 N ATOM 1554 CA SER A 99 -5.513 6.912 -0.843 1.00 0.00 C ATOM 1555 C SER A 99 -6.294 7.940 -1.655 1.00 0.00 C ATOM 1556 O SER A 99 -6.955 7.600 -2.635 1.00 0.00 O ATOM 1557 CB SER A 99 -4.011 7.184 -0.964 1.00 0.00 C ATOM 1558 OG SER A 99 -3.675 8.441 -0.403 1.00 0.00 O ATOM 0 H SER A 99 -5.364 5.287 -2.160 1.00 0.00 H new ATOM 0 HA SER A 99 -5.809 7.000 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.453 6.396 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.717 7.160 -2.013 1.00 0.00 H new ATOM 0 HG SER A 99 -2.711 8.591 -0.491 1.00 0.00 H new