USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 756 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 42 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -2.17 F(o=-3.8!,f=-2.2) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.0646 (180deg=-0.384) USER MOD Single : A 33 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 110:sc= -1.02 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc=-0.00838 (180deg=-0.122) USER MOD Single : A 51 ASN : amide:sc= -1.3 K(o=-1.3,f=-8.9!) USER MOD Single : A 54 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.35) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 60 HIS : no HE2:sc= -7.41! C(o=-7.4!,f=-7.4!) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.192 (180deg=-0.703) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 15:sc= 0.628 USER MOD Single : A 75 THR OG1 : rot 44:sc= 0.219 USER MOD Single : A 77 ASN : amide:sc= -0.65! C(o=-0.65!,f=-7.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc=-0.00223 (180deg=-0.00223) USER MOD Single : A 83 GLN : amide:sc= -4.59! C(o=-4.6!,f=-4.7!) USER MOD Single : A 91 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.061) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.37) USER MOD Single : A 97 SER OG : rot 38:sc= 0.0756 USER MOD Single : A 103 CYS SG : rot -57:sc= -2.15! USER MOD Single : A 104 TYR OH : rot 110:sc= -0.442 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -10.953 -17.303 2.867 1.00 0.00 N ATOM 342 CA ALA A 24 -9.633 -16.800 3.227 1.00 0.00 C ATOM 343 C ALA A 24 -9.673 -15.300 3.499 1.00 0.00 C ATOM 344 O ALA A 24 -10.387 -14.557 2.826 1.00 0.00 O ATOM 345 CB ALA A 24 -8.631 -17.113 2.125 1.00 0.00 C ATOM 0 HA ALA A 24 -9.317 -17.300 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.649 -16.732 2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.574 -18.192 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.951 -16.640 1.197 1.00 0.00 H new ATOM 351 N ILE A 25 -8.902 -14.863 4.488 1.00 0.00 N ATOM 352 CA ILE A 25 -8.849 -13.451 4.848 1.00 0.00 C ATOM 353 C ILE A 25 -7.457 -13.059 5.333 1.00 0.00 C ATOM 354 O ILE A 25 -6.809 -13.808 6.065 1.00 0.00 O ATOM 355 CB ILE A 25 -9.877 -13.110 5.943 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.274 -13.568 5.521 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.868 -11.617 6.232 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.291 -13.513 6.640 1.00 0.00 C ATOM 0 H ILE A 25 -8.305 -15.466 5.055 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.090 -12.887 3.947 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.602 -13.638 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.619 -12.944 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.215 -14.589 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.600 -11.392 7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.876 -11.318 6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.122 -11.069 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.259 -13.852 6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.969 -14.159 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.379 -12.488 7.001 1.00 0.00 H new ATOM 370 N LEU A 26 -7.004 -11.880 4.922 1.00 0.00 N ATOM 371 CA LEU A 26 -5.689 -11.386 5.316 1.00 0.00 C ATOM 372 C LEU A 26 -5.814 -10.133 6.177 1.00 0.00 C ATOM 373 O LEU A 26 -6.906 -9.589 6.345 1.00 0.00 O ATOM 374 CB LEU A 26 -4.844 -11.085 4.077 1.00 0.00 C ATOM 375 CG LEU A 26 -4.241 -12.297 3.366 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.249 -13.009 4.272 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.337 -13.252 2.917 1.00 0.00 C ATOM 0 H LEU A 26 -7.528 -11.248 4.316 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.198 -12.161 5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.462 -10.541 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.032 -10.419 4.368 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.707 -11.947 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.830 -13.869 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.446 -12.323 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.758 -13.346 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.889 -14.109 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.899 -13.595 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.009 -12.737 2.230 1.00 0.00 H new ATOM 389 N ASP A 27 -4.689 -9.679 6.718 1.00 0.00 N ATOM 390 CA ASP A 27 -4.671 -8.488 7.560 1.00 0.00 C ATOM 391 C ASP A 27 -3.823 -7.389 6.927 1.00 0.00 C ATOM 392 O ASP A 27 -2.595 -7.470 6.912 1.00 0.00 O ATOM 393 CB ASP A 27 -4.133 -8.828 8.951 1.00 0.00 C ATOM 394 CG ASP A 27 -3.983 -7.602 9.829 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.384 -6.610 9.364 1.00 0.00 O ATOM 396 OD2 ASP A 27 -4.464 -7.634 10.981 1.00 0.00 O ATOM 0 H ASP A 27 -3.777 -10.118 6.589 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.694 -8.124 7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.805 -9.537 9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.166 -9.321 8.853 1.00 0.00 H new ATOM 401 N PHE A 28 -4.487 -6.363 6.406 1.00 0.00 N ATOM 402 CA PHE A 28 -3.795 -5.248 5.770 1.00 0.00 C ATOM 403 C PHE A 28 -4.209 -3.921 6.400 1.00 0.00 C ATOM 404 O PHE A 28 -5.359 -3.722 6.791 1.00 0.00 O ATOM 405 CB PHE A 28 -4.089 -5.227 4.269 1.00 0.00 C ATOM 406 CG PHE A 28 -3.293 -6.232 3.488 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.751 -7.531 3.335 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.086 -5.878 2.905 1.00 0.00 C ATOM 409 CE1 PHE A 28 -3.019 -8.458 2.617 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.351 -6.801 2.186 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.818 -8.092 2.041 1.00 0.00 C ATOM 0 H PHE A 28 -5.504 -6.280 6.412 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.724 -5.383 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.151 -5.416 4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.882 -4.230 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.690 -7.822 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.716 -4.869 3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.386 -9.468 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.412 -6.513 1.738 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.245 -8.814 1.478 1.00 0.00 H new ATOM 421 N PRO A 29 -3.248 -2.990 6.501 1.00 0.00 N ATOM 422 CA PRO A 29 -3.487 -1.666 7.083 1.00 0.00 C ATOM 423 C PRO A 29 -4.373 -0.796 6.197 1.00 0.00 C ATOM 424 O PRO A 29 -4.394 -0.954 4.977 1.00 0.00 O ATOM 425 CB PRO A 29 -2.083 -1.066 7.188 1.00 0.00 C ATOM 426 CG PRO A 29 -1.292 -1.767 6.139 1.00 0.00 C ATOM 427 CD PRO A 29 -1.855 -3.159 6.056 1.00 0.00 C ATOM 0 HA PRO A 29 -4.011 -1.728 8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.099 0.011 7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.657 -1.226 8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.375 -1.255 5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.233 -1.789 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.802 -3.554 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.310 -3.852 6.697 1.00 0.00 H new ATOM 435 N ASP A 30 -5.103 0.123 6.820 1.00 0.00 N ATOM 436 CA ASP A 30 -5.990 1.020 6.088 1.00 0.00 C ATOM 437 C ASP A 30 -5.282 1.614 4.875 1.00 0.00 C ATOM 438 O ASP A 30 -5.844 1.672 3.781 1.00 0.00 O ATOM 439 CB ASP A 30 -6.487 2.140 7.004 1.00 0.00 C ATOM 440 CG ASP A 30 -7.239 1.612 8.210 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.129 0.755 8.026 1.00 0.00 O ATOM 442 OD2 ASP A 30 -6.936 2.054 9.337 1.00 0.00 O ATOM 0 H ASP A 30 -5.098 0.266 7.830 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.845 0.441 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.637 2.734 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.137 2.807 6.438 1.00 0.00 H new ATOM 447 N LYS A 31 -4.045 2.055 5.076 1.00 0.00 N ATOM 448 CA LYS A 31 -3.258 2.645 3.999 1.00 0.00 C ATOM 449 C LYS A 31 -1.767 2.574 4.313 1.00 0.00 C ATOM 450 O LYS A 31 -1.373 2.257 5.437 1.00 0.00 O ATOM 451 CB LYS A 31 -3.674 4.101 3.775 1.00 0.00 C ATOM 452 CG LYS A 31 -3.332 5.017 4.937 1.00 0.00 C ATOM 453 CD LYS A 31 -3.499 6.480 4.560 1.00 0.00 C ATOM 454 CE LYS A 31 -4.927 6.953 4.781 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.281 6.995 6.227 1.00 0.00 N ATOM 0 H LYS A 31 -3.565 2.015 5.975 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.447 2.075 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.188 4.474 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.749 4.140 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.973 4.784 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.305 4.837 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.817 7.090 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.226 6.621 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.052 7.945 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.615 6.288 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.068 7.659 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.566 6.046 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.456 7.309 6.777 1.00 0.00 H new ATOM 469 N LEU A 32 -0.942 2.872 3.315 1.00 0.00 N ATOM 470 CA LEU A 32 0.506 2.843 3.486 1.00 0.00 C ATOM 471 C LEU A 32 1.062 4.253 3.657 1.00 0.00 C ATOM 472 O LEU A 32 1.103 5.034 2.707 1.00 0.00 O ATOM 473 CB LEU A 32 1.167 2.164 2.285 1.00 0.00 C ATOM 474 CG LEU A 32 2.603 1.682 2.493 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.500 2.838 2.909 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.647 0.570 3.531 1.00 0.00 C ATOM 0 H LEU A 32 -1.251 3.136 2.380 1.00 0.00 H new ATOM 0 HA LEU A 32 0.730 2.272 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.556 1.309 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.157 2.862 1.448 1.00 0.00 H new ATOM 0 HG LEU A 32 2.973 1.285 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.518 2.475 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.493 3.602 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.133 3.266 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.677 0.239 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.258 0.942 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.038 -0.268 3.192 1.00 0.00 H new ATOM 488 N ASN A 33 1.491 4.571 4.874 1.00 0.00 N ATOM 489 CA ASN A 33 2.047 5.887 5.169 1.00 0.00 C ATOM 490 C ASN A 33 3.561 5.893 4.981 1.00 0.00 C ATOM 491 O ASN A 33 4.296 5.288 5.762 1.00 0.00 O ATOM 492 CB ASN A 33 1.697 6.302 6.600 1.00 0.00 C ATOM 493 CG ASN A 33 1.991 5.207 7.607 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.708 4.251 7.310 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.437 5.342 8.806 1.00 0.00 N ATOM 0 H ASN A 33 1.464 3.936 5.672 1.00 0.00 H new ATOM 0 HA ASN A 33 1.610 6.603 4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.261 7.196 6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.640 6.565 6.651 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.599 4.637 9.525 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.850 6.151 9.008 1.00 0.00 H new ATOM 502 N PHE A 34 4.020 6.580 3.941 1.00 0.00 N ATOM 503 CA PHE A 34 5.446 6.665 3.650 1.00 0.00 C ATOM 504 C PHE A 34 6.024 7.990 4.139 1.00 0.00 C ATOM 505 O PHE A 34 5.767 9.044 3.558 1.00 0.00 O ATOM 506 CB PHE A 34 5.692 6.513 2.147 1.00 0.00 C ATOM 507 CG PHE A 34 6.127 5.132 1.748 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.381 4.658 2.097 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.282 4.307 1.023 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.784 3.388 1.730 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.679 3.036 0.653 1.00 0.00 C ATOM 512 CZ PHE A 34 6.932 2.576 1.008 1.00 0.00 C ATOM 0 H PHE A 34 3.425 7.086 3.285 1.00 0.00 H new ATOM 0 HA PHE A 34 5.947 5.853 4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.778 6.767 1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.453 7.229 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.051 5.288 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.301 4.662 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.765 3.031 2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.011 2.404 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.245 1.583 0.721 1.00 0.00 H new ATOM 522 N SER A 35 6.805 7.927 5.213 1.00 0.00 N ATOM 523 CA SER A 35 7.415 9.122 5.785 1.00 0.00 C ATOM 524 C SER A 35 8.171 9.909 4.718 1.00 0.00 C ATOM 525 O SER A 35 8.235 9.502 3.557 1.00 0.00 O ATOM 526 CB SER A 35 8.365 8.741 6.922 1.00 0.00 C ATOM 527 OG SER A 35 7.680 8.039 7.945 1.00 0.00 O ATOM 0 H SER A 35 7.030 7.062 5.704 1.00 0.00 H new ATOM 0 HA SER A 35 6.619 9.752 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.175 8.124 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.821 9.640 7.336 1.00 0.00 H new ATOM 0 HG SER A 35 8.309 7.805 8.659 1.00 0.00 H new ATOM 533 N THR A 36 8.743 11.040 5.120 1.00 0.00 N ATOM 534 CA THR A 36 9.493 11.886 4.201 1.00 0.00 C ATOM 535 C THR A 36 10.550 11.082 3.452 1.00 0.00 C ATOM 536 O THR A 36 11.488 10.559 4.055 1.00 0.00 O ATOM 537 CB THR A 36 10.179 13.050 4.941 1.00 0.00 C ATOM 538 OG1 THR A 36 9.300 13.582 5.938 1.00 0.00 O ATOM 539 CG2 THR A 36 10.576 14.150 3.968 1.00 0.00 C ATOM 0 H THR A 36 8.701 11.391 6.077 1.00 0.00 H new ATOM 0 HA THR A 36 8.775 12.291 3.488 1.00 0.00 H new ATOM 0 HB THR A 36 11.081 12.667 5.419 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.744 14.320 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.058 14.961 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.268 13.749 3.228 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.686 14.529 3.465 1.00 0.00 H new ATOM 547 N CYS A 37 10.393 10.987 2.136 1.00 0.00 N ATOM 548 CA CYS A 37 11.335 10.246 1.305 1.00 0.00 C ATOM 549 C CYS A 37 11.830 11.105 0.146 1.00 0.00 C ATOM 550 O CYS A 37 11.181 12.066 -0.268 1.00 0.00 O ATOM 551 CB CYS A 37 10.680 8.972 0.769 1.00 0.00 C ATOM 552 SG CYS A 37 9.057 9.236 0.018 1.00 0.00 S ATOM 0 H CYS A 37 9.622 11.414 1.622 1.00 0.00 H new ATOM 0 HA CYS A 37 12.191 9.974 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.341 8.520 0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.579 8.257 1.586 1.00 0.00 H new ATOM 0 HG CYS A 37 8.586 8.101 -0.407 1.00 0.00 H new ATOM 558 N PRO A 38 13.007 10.753 -0.391 1.00 0.00 N ATOM 559 CA PRO A 38 13.616 11.479 -1.509 1.00 0.00 C ATOM 560 C PRO A 38 12.852 11.282 -2.813 1.00 0.00 C ATOM 561 O PRO A 38 12.426 10.172 -3.134 1.00 0.00 O ATOM 562 CB PRO A 38 15.015 10.866 -1.611 1.00 0.00 C ATOM 563 CG PRO A 38 14.874 9.502 -1.029 1.00 0.00 C ATOM 564 CD PRO A 38 13.835 9.618 0.052 1.00 0.00 C ATOM 0 HA PRO A 38 13.619 12.556 -1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.353 10.822 -2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.747 11.457 -1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.568 8.783 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.823 9.151 -0.622 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.248 8.704 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.287 9.806 1.026 1.00 0.00 H new ATOM 572 N VAL A 39 12.681 12.366 -3.564 1.00 0.00 N ATOM 573 CA VAL A 39 11.969 12.312 -4.835 1.00 0.00 C ATOM 574 C VAL A 39 12.706 11.435 -5.840 1.00 0.00 C ATOM 575 O VAL A 39 12.170 10.435 -6.320 1.00 0.00 O ATOM 576 CB VAL A 39 11.784 13.718 -5.435 1.00 0.00 C ATOM 577 CG1 VAL A 39 13.101 14.480 -5.426 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.222 13.625 -6.846 1.00 0.00 C ATOM 0 H VAL A 39 13.026 13.293 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 39 10.989 11.881 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 39 11.071 14.266 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.951 15.471 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.458 14.577 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.839 13.938 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.098 14.628 -7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.909 13.059 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.256 13.121 -6.820 1.00 0.00 H new ATOM 588 N LYS A 40 13.940 11.815 -6.156 1.00 0.00 N ATOM 589 CA LYS A 40 14.753 11.063 -7.104 1.00 0.00 C ATOM 590 C LYS A 40 15.013 9.648 -6.596 1.00 0.00 C ATOM 591 O LYS A 40 14.561 8.671 -7.192 1.00 0.00 O ATOM 592 CB LYS A 40 16.083 11.780 -7.349 1.00 0.00 C ATOM 593 CG LYS A 40 16.053 12.727 -8.536 1.00 0.00 C ATOM 594 CD LYS A 40 15.227 13.968 -8.239 1.00 0.00 C ATOM 595 CE LYS A 40 15.344 14.995 -9.355 1.00 0.00 C ATOM 596 NZ LYS A 40 14.294 16.046 -9.253 1.00 0.00 N ATOM 0 H LYS A 40 14.399 12.640 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 40 14.204 10.998 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.354 12.340 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.864 11.036 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.071 13.020 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.639 12.212 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.182 13.688 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.558 14.411 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.329 15.461 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.264 14.494 -10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.408 16.727 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.354 15.605 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.386 16.542 -8.343 1.00 0.00 H new ATOM 610 N TYR A 41 15.743 9.547 -5.490 1.00 0.00 N ATOM 611 CA TYR A 41 16.063 8.252 -4.902 1.00 0.00 C ATOM 612 C TYR A 41 14.802 7.418 -4.701 1.00 0.00 C ATOM 613 O TYR A 41 13.713 7.957 -4.501 1.00 0.00 O ATOM 614 CB TYR A 41 16.784 8.439 -3.566 1.00 0.00 C ATOM 615 CG TYR A 41 18.152 9.069 -3.699 1.00 0.00 C ATOM 616 CD1 TYR A 41 19.275 8.291 -3.952 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.321 10.442 -3.570 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.527 8.862 -4.073 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.569 11.022 -3.691 1.00 0.00 C ATOM 620 CZ TYR A 41 20.669 10.228 -3.942 1.00 0.00 C ATOM 621 OH TYR A 41 21.914 10.802 -4.062 1.00 0.00 O ATOM 0 H TYR A 41 16.124 10.346 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 41 16.721 7.721 -5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.169 9.060 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.886 7.469 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 41 19.167 7.221 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.462 11.066 -3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 41 21.390 8.243 -4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.683 12.091 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 41 21.840 11.772 -3.944 1.00 0.00 H new ATOM 631 N SER A 42 14.958 6.099 -4.753 1.00 0.00 N ATOM 632 CA SER A 42 13.832 5.188 -4.579 1.00 0.00 C ATOM 633 C SER A 42 13.613 4.871 -3.103 1.00 0.00 C ATOM 634 O SER A 42 14.537 4.952 -2.294 1.00 0.00 O ATOM 635 CB SER A 42 14.069 3.895 -5.361 1.00 0.00 C ATOM 636 OG SER A 42 15.314 3.312 -5.018 1.00 0.00 O ATOM 0 H SER A 42 15.853 5.637 -4.914 1.00 0.00 H new ATOM 0 HA SER A 42 12.937 5.678 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.264 3.189 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.044 4.104 -6.431 1.00 0.00 H new ATOM 0 HG SER A 42 15.441 2.486 -5.530 1.00 0.00 H new ATOM 642 N THR A 43 12.381 4.508 -2.759 1.00 0.00 N ATOM 643 CA THR A 43 12.038 4.179 -1.381 1.00 0.00 C ATOM 644 C THR A 43 11.624 2.718 -1.251 1.00 0.00 C ATOM 645 O THR A 43 11.052 2.142 -2.177 1.00 0.00 O ATOM 646 CB THR A 43 10.898 5.073 -0.857 1.00 0.00 C ATOM 647 OG1 THR A 43 11.352 6.425 -0.733 1.00 0.00 O ATOM 648 CG2 THR A 43 10.396 4.576 0.490 1.00 0.00 C ATOM 0 H THR A 43 11.604 4.434 -3.416 1.00 0.00 H new ATOM 0 HA THR A 43 12.932 4.355 -0.782 1.00 0.00 H new ATOM 0 HB THR A 43 10.076 5.031 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.921 6.979 -1.417 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.591 5.223 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.023 3.557 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.213 4.591 1.211 1.00 0.00 H new ATOM 656 N GLN A 44 11.915 2.125 -0.098 1.00 0.00 N ATOM 657 CA GLN A 44 11.572 0.730 0.151 1.00 0.00 C ATOM 658 C GLN A 44 10.961 0.559 1.539 1.00 0.00 C ATOM 659 O GLN A 44 11.285 1.301 2.467 1.00 0.00 O ATOM 660 CB GLN A 44 12.812 -0.154 0.014 1.00 0.00 C ATOM 661 CG GLN A 44 13.221 -0.410 -1.427 1.00 0.00 C ATOM 662 CD GLN A 44 13.948 0.768 -2.045 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.330 1.388 -3.044 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 15.054 1.117 -1.630 1.00 0.00 N flip ATOM 0 H GLN A 44 12.387 2.589 0.678 1.00 0.00 H new ATOM 0 HA GLN A 44 10.834 0.425 -0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.643 0.316 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.623 -1.109 0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.863 -1.290 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.333 -0.635 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.492 0.612 -0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.531 1.911 -2.056 1.00 0.00 H new ATOM 673 N LYS A 45 10.076 -0.422 1.673 1.00 0.00 N ATOM 674 CA LYS A 45 9.420 -0.692 2.947 1.00 0.00 C ATOM 675 C LYS A 45 8.861 -2.111 2.981 1.00 0.00 C ATOM 676 O LYS A 45 8.585 -2.704 1.938 1.00 0.00 O ATOM 677 CB LYS A 45 8.295 0.317 3.189 1.00 0.00 C ATOM 678 CG LYS A 45 8.156 0.736 4.642 1.00 0.00 C ATOM 679 CD LYS A 45 7.633 2.157 4.765 1.00 0.00 C ATOM 680 CE LYS A 45 6.118 2.207 4.640 1.00 0.00 C ATOM 681 NZ LYS A 45 5.444 1.670 5.855 1.00 0.00 N ATOM 0 H LYS A 45 9.796 -1.044 0.915 1.00 0.00 H new ATOM 0 HA LYS A 45 10.164 -0.594 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.475 1.203 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.352 -0.115 2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.480 0.053 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.124 0.659 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.934 2.574 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.084 2.780 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.801 3.237 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.806 1.633 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.442 1.947 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.516 0.633 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.903 2.055 6.705 1.00 0.00 H new ATOM 695 N ILE A 46 8.694 -2.648 4.185 1.00 0.00 N ATOM 696 CA ILE A 46 8.165 -3.995 4.354 1.00 0.00 C ATOM 697 C ILE A 46 6.850 -3.977 5.125 1.00 0.00 C ATOM 698 O ILE A 46 6.675 -3.191 6.057 1.00 0.00 O ATOM 699 CB ILE A 46 9.167 -4.905 5.089 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.431 -5.095 4.248 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.528 -6.249 5.406 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.480 -5.953 4.919 1.00 0.00 C ATOM 0 H ILE A 46 8.918 -2.170 5.058 1.00 0.00 H new ATOM 0 HA ILE A 46 7.991 -4.393 3.354 1.00 0.00 H new ATOM 0 HB ILE A 46 9.447 -4.427 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.159 -5.548 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.860 -4.118 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.248 -6.881 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.655 -6.096 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.222 -6.734 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.348 -6.045 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.781 -5.491 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.069 -6.943 5.116 1.00 0.00 H new ATOM 714 N LEU A 47 5.929 -4.850 4.733 1.00 0.00 N ATOM 715 CA LEU A 47 4.628 -4.936 5.389 1.00 0.00 C ATOM 716 C LEU A 47 4.340 -6.364 5.840 1.00 0.00 C ATOM 717 O LEU A 47 4.118 -7.254 5.017 1.00 0.00 O ATOM 718 CB LEU A 47 3.526 -4.454 4.444 1.00 0.00 C ATOM 719 CG LEU A 47 2.134 -5.040 4.684 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.462 -4.354 5.864 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.278 -4.911 3.432 1.00 0.00 C ATOM 0 H LEU A 47 6.058 -5.508 3.965 1.00 0.00 H new ATOM 0 HA LEU A 47 4.648 -4.294 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.460 -3.369 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.825 -4.685 3.422 1.00 0.00 H new ATOM 0 HG LEU A 47 2.242 -6.099 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.473 -4.784 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.065 -4.498 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.366 -3.288 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.291 -5.333 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.178 -3.859 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.751 -5.449 2.611 1.00 0.00 H new ATOM 733 N LEU A 48 4.342 -6.577 7.151 1.00 0.00 N ATOM 734 CA LEU A 48 4.078 -7.897 7.712 1.00 0.00 C ATOM 735 C LEU A 48 2.597 -8.246 7.611 1.00 0.00 C ATOM 736 O LEU A 48 1.744 -7.542 8.152 1.00 0.00 O ATOM 737 CB LEU A 48 4.528 -7.951 9.173 1.00 0.00 C ATOM 738 CG LEU A 48 4.667 -9.347 9.782 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.341 -10.090 9.721 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.755 -10.135 9.067 1.00 0.00 C ATOM 0 H LEU A 48 4.524 -5.852 7.846 1.00 0.00 H new ATOM 0 HA LEU A 48 4.644 -8.629 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.489 -7.443 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.816 -7.384 9.773 1.00 0.00 H new ATOM 0 HG LEU A 48 4.952 -9.239 10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.459 -11.081 10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.587 -9.535 10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.026 -10.187 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.840 -11.126 9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.499 -10.233 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.706 -9.611 9.163 1.00 0.00 H new ATOM 752 N VAL A 49 2.297 -9.339 6.916 1.00 0.00 N ATOM 753 CA VAL A 49 0.919 -9.783 6.747 1.00 0.00 C ATOM 754 C VAL A 49 0.670 -11.095 7.483 1.00 0.00 C ATOM 755 O VAL A 49 1.494 -12.009 7.438 1.00 0.00 O ATOM 756 CB VAL A 49 0.567 -9.967 5.259 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.922 -10.229 5.090 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.996 -8.749 4.456 1.00 0.00 C ATOM 0 H VAL A 49 2.990 -9.933 6.461 1.00 0.00 H new ATOM 0 HA VAL A 49 0.282 -9.006 7.170 1.00 0.00 H new ATOM 0 HB VAL A 49 1.109 -10.833 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.151 -10.356 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.196 -11.134 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.487 -9.385 5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.740 -8.896 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.483 -7.865 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.073 -8.612 4.550 1.00 0.00 H new ATOM 768 N ARG A 50 -0.471 -11.181 8.159 1.00 0.00 N ATOM 769 CA ARG A 50 -0.828 -12.381 8.905 1.00 0.00 C ATOM 770 C ARG A 50 -2.211 -12.883 8.498 1.00 0.00 C ATOM 771 O ARG A 50 -3.199 -12.156 8.595 1.00 0.00 O ATOM 772 CB ARG A 50 -0.798 -12.100 10.408 1.00 0.00 C ATOM 773 CG ARG A 50 -1.041 -13.333 11.263 1.00 0.00 C ATOM 774 CD ARG A 50 -1.732 -12.977 12.570 1.00 0.00 C ATOM 775 NE ARG A 50 -1.378 -13.900 13.646 1.00 0.00 N ATOM 776 CZ ARG A 50 -2.146 -14.123 14.706 1.00 0.00 C ATOM 777 NH1 ARG A 50 -3.306 -13.493 14.832 1.00 0.00 N ATOM 778 NH2 ARG A 50 -1.755 -14.977 15.643 1.00 0.00 N ATOM 0 H ARG A 50 -1.164 -10.434 8.205 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.096 -13.155 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.170 -11.672 10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.553 -11.350 10.644 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.652 -14.046 10.710 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.091 -13.824 11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.460 -11.962 12.859 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.812 -12.988 12.424 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.492 -14.401 13.579 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.610 -12.836 14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.894 -13.666 15.647 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.863 -15.463 15.550 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.346 -15.147 16.457 1.00 0.00 H new ATOM 792 N ASN A 51 -2.272 -14.130 8.043 1.00 0.00 N ATOM 793 CA ASN A 51 -3.533 -14.728 7.621 1.00 0.00 C ATOM 794 C ASN A 51 -4.465 -14.931 8.812 1.00 0.00 C ATOM 795 O ASN A 51 -4.135 -15.652 9.755 1.00 0.00 O ATOM 796 CB ASN A 51 -3.278 -16.067 6.924 1.00 0.00 C ATOM 797 CG ASN A 51 -4.513 -16.596 6.220 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.615 -16.079 6.403 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.332 -17.633 5.410 1.00 0.00 N ATOM 0 H ASN A 51 -1.463 -14.746 7.957 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.013 -14.046 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.472 -15.949 6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.941 -16.798 7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.125 -18.033 4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.400 -18.029 5.289 1.00 0.00 H new ATOM 806 N ILE A 52 -5.629 -14.292 8.761 1.00 0.00 N ATOM 807 CA ILE A 52 -6.608 -14.404 9.835 1.00 0.00 C ATOM 808 C ILE A 52 -7.790 -15.271 9.412 1.00 0.00 C ATOM 809 O ILE A 52 -8.823 -15.297 10.079 1.00 0.00 O ATOM 810 CB ILE A 52 -7.130 -13.021 10.267 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.714 -12.274 9.067 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.013 -12.212 10.910 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.351 -10.951 9.431 1.00 0.00 C ATOM 0 H ILE A 52 -5.917 -13.692 7.988 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.100 -14.871 10.678 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.922 -13.161 11.003 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.923 -12.099 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.459 -12.906 8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.396 -11.237 11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.639 -12.741 11.787 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.202 -12.078 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.744 -10.477 8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.164 -11.121 10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.604 -10.301 9.887 1.00 0.00 H new ATOM 825 N GLY A 53 -7.628 -15.982 8.300 1.00 0.00 N ATOM 826 CA GLY A 53 -8.688 -16.842 7.809 1.00 0.00 C ATOM 827 C GLY A 53 -8.628 -18.235 8.404 1.00 0.00 C ATOM 828 O GLY A 53 -8.004 -18.446 9.443 1.00 0.00 O ATOM 0 H GLY A 53 -6.782 -15.977 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.653 -16.392 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.622 -16.911 6.723 1.00 0.00 H new ATOM 832 N ASN A 54 -9.280 -19.187 7.745 1.00 0.00 N ATOM 833 CA ASN A 54 -9.299 -20.567 8.216 1.00 0.00 C ATOM 834 C ASN A 54 -8.583 -21.488 7.233 1.00 0.00 C ATOM 835 O ASN A 54 -7.927 -22.450 7.632 1.00 0.00 O ATOM 836 CB ASN A 54 -10.741 -21.039 8.417 1.00 0.00 C ATOM 837 CG ASN A 54 -11.371 -21.537 7.131 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.367 -22.735 6.848 1.00 0.00 O ATOM 839 ND2 ASN A 54 -11.916 -20.616 6.344 1.00 0.00 N ATOM 0 H ASN A 54 -9.802 -19.028 6.883 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.774 -20.606 9.170 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.759 -21.837 9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.337 -20.218 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.354 -20.891 5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.896 -19.634 6.619 1.00 0.00 H new ATOM 846 N LYS A 55 -8.714 -21.187 5.946 1.00 0.00 N ATOM 847 CA LYS A 55 -8.079 -21.985 4.904 1.00 0.00 C ATOM 848 C LYS A 55 -6.999 -21.182 4.186 1.00 0.00 C ATOM 849 O LYS A 55 -6.852 -19.982 4.411 1.00 0.00 O ATOM 850 CB LYS A 55 -9.123 -22.470 3.897 1.00 0.00 C ATOM 851 CG LYS A 55 -8.677 -23.679 3.092 1.00 0.00 C ATOM 852 CD LYS A 55 -9.863 -24.499 2.613 1.00 0.00 C ATOM 853 CE LYS A 55 -9.414 -25.789 1.943 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.527 -26.444 1.202 1.00 0.00 N ATOM 0 H LYS A 55 -9.255 -20.395 5.599 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.611 -22.848 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.041 -22.717 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.361 -21.656 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.091 -23.350 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.025 -24.303 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.510 -24.733 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.455 -23.910 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.596 -25.576 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.026 -26.474 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.182 -27.319 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.298 -26.671 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.880 -25.800 0.466 1.00 0.00 H new ATOM 868 N ASN A 56 -6.246 -21.853 3.320 1.00 0.00 N ATOM 869 CA ASN A 56 -5.180 -21.202 2.568 1.00 0.00 C ATOM 870 C ASN A 56 -5.701 -19.960 1.851 1.00 0.00 C ATOM 871 O ASN A 56 -6.681 -20.024 1.109 1.00 0.00 O ATOM 872 CB ASN A 56 -4.575 -22.174 1.553 1.00 0.00 C ATOM 873 CG ASN A 56 -3.232 -21.703 1.031 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.182 -22.132 1.509 1.00 0.00 O ATOM 875 ND2 ASN A 56 -3.259 -20.815 0.044 1.00 0.00 N ATOM 0 H ASN A 56 -6.355 -22.848 3.122 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.407 -20.896 3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.458 -23.153 2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.264 -22.297 0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.386 -20.461 -0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.153 -20.486 -0.322 1.00 0.00 H new ATOM 882 N ALA A 57 -5.038 -18.830 2.078 1.00 0.00 N ATOM 883 CA ALA A 57 -5.432 -17.574 1.452 1.00 0.00 C ATOM 884 C ALA A 57 -4.626 -17.316 0.184 1.00 0.00 C ATOM 885 O ALA A 57 -3.398 -17.411 0.186 1.00 0.00 O ATOM 886 CB ALA A 57 -5.264 -16.422 2.430 1.00 0.00 C ATOM 0 H ALA A 57 -4.226 -18.759 2.691 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.483 -17.649 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.562 -15.490 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.889 -16.594 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.220 -16.354 2.737 1.00 0.00 H new ATOM 892 N VAL A 58 -5.323 -16.990 -0.900 1.00 0.00 N ATOM 893 CA VAL A 58 -4.672 -16.718 -2.175 1.00 0.00 C ATOM 894 C VAL A 58 -5.031 -15.329 -2.691 1.00 0.00 C ATOM 895 O VAL A 58 -6.159 -15.087 -3.121 1.00 0.00 O ATOM 896 CB VAL A 58 -5.059 -17.764 -3.238 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.425 -17.424 -4.578 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.654 -19.158 -2.785 1.00 0.00 C ATOM 0 H VAL A 58 -6.339 -16.908 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.598 -16.770 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.142 -17.747 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.710 -18.174 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.770 -16.443 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.340 -17.411 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.935 -19.884 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.575 -19.192 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.161 -19.399 -1.851 1.00 0.00 H new ATOM 908 N PHE A 59 -4.064 -14.418 -2.644 1.00 0.00 N ATOM 909 CA PHE A 59 -4.278 -13.052 -3.106 1.00 0.00 C ATOM 910 C PHE A 59 -3.246 -12.667 -4.163 1.00 0.00 C ATOM 911 O PHE A 59 -2.078 -13.047 -4.073 1.00 0.00 O ATOM 912 CB PHE A 59 -4.208 -12.076 -1.929 1.00 0.00 C ATOM 913 CG PHE A 59 -2.863 -12.039 -1.261 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.499 -13.021 -0.353 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.964 -11.023 -1.540 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.263 -12.990 0.264 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.726 -10.987 -0.926 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.375 -11.971 -0.022 1.00 0.00 C ATOM 0 H PHE A 59 -3.125 -14.601 -2.291 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.270 -12.998 -3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.457 -11.075 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.963 -12.352 -1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.189 -13.820 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.233 -10.250 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.991 -13.762 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.033 -10.190 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.591 -11.944 0.460 1.00 0.00 H new ATOM 928 N HIS A 60 -3.687 -11.911 -5.164 1.00 0.00 N ATOM 929 CA HIS A 60 -2.802 -11.474 -6.238 1.00 0.00 C ATOM 930 C HIS A 60 -2.895 -9.964 -6.438 1.00 0.00 C ATOM 931 O HIS A 60 -3.864 -9.463 -7.009 1.00 0.00 O ATOM 932 CB HIS A 60 -3.152 -12.195 -7.540 1.00 0.00 C ATOM 933 CG HIS A 60 -2.089 -12.087 -8.589 1.00 0.00 C ATOM 934 ND1 HIS A 60 -1.889 -13.046 -9.560 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.165 -11.124 -8.817 1.00 0.00 C ATOM 936 CE1 HIS A 60 -0.887 -12.678 -10.339 1.00 0.00 C ATOM 937 NE2 HIS A 60 -0.431 -11.515 -9.910 1.00 0.00 N ATOM 0 H HIS A 60 -4.651 -11.589 -5.254 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.779 -11.723 -5.957 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.333 -13.248 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.082 -11.785 -7.934 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.430 -13.905 -9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.030 -10.217 -8.246 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.506 -13.234 -11.183 1.00 0.00 H new ATOM 946 N ILE A 61 -1.882 -9.247 -5.963 1.00 0.00 N ATOM 947 CA ILE A 61 -1.850 -7.795 -6.090 1.00 0.00 C ATOM 948 C ILE A 61 -1.297 -7.374 -7.447 1.00 0.00 C ATOM 949 O ILE A 61 -0.513 -8.097 -8.062 1.00 0.00 O ATOM 950 CB ILE A 61 -0.999 -7.151 -4.980 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.439 -7.665 -3.607 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.106 -5.635 -5.042 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.329 -7.671 -2.580 1.00 0.00 C ATOM 0 H ILE A 61 -1.073 -9.647 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.879 -7.448 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 61 0.044 -7.429 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.258 -7.045 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.829 -8.677 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.499 -5.195 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.750 -5.284 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.146 -5.338 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.713 -8.047 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.481 -8.314 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.046 -6.657 -2.443 1.00 0.00 H new ATOM 965 N LYS A 62 -1.709 -6.198 -7.909 1.00 0.00 N ATOM 966 CA LYS A 62 -1.253 -5.677 -9.193 1.00 0.00 C ATOM 967 C LYS A 62 -1.133 -4.157 -9.151 1.00 0.00 C ATOM 968 O LYS A 62 -1.970 -3.474 -8.560 1.00 0.00 O ATOM 969 CB LYS A 62 -2.217 -6.093 -10.306 1.00 0.00 C ATOM 970 CG LYS A 62 -2.330 -7.598 -10.482 1.00 0.00 C ATOM 971 CD LYS A 62 -1.124 -8.167 -11.210 1.00 0.00 C ATOM 972 CE LYS A 62 -1.307 -8.111 -12.719 1.00 0.00 C ATOM 973 NZ LYS A 62 -2.460 -8.940 -13.169 1.00 0.00 N ATOM 0 H LYS A 62 -2.358 -5.587 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.268 -6.096 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.205 -5.686 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.887 -5.649 -11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.424 -8.073 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.237 -7.833 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.231 -7.608 -10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.964 -9.200 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.460 -7.077 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.397 -8.458 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.309 -9.240 -14.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.543 -9.779 -12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.334 -8.380 -13.109 1.00 0.00 H new ATOM 987 N THR A 63 -0.088 -3.633 -9.784 1.00 0.00 N ATOM 988 CA THR A 63 0.141 -2.194 -9.820 1.00 0.00 C ATOM 989 C THR A 63 1.171 -1.828 -10.882 1.00 0.00 C ATOM 990 O THR A 63 1.739 -2.702 -11.537 1.00 0.00 O ATOM 991 CB THR A 63 0.619 -1.667 -8.453 1.00 0.00 C ATOM 992 OG1 THR A 63 0.416 -0.252 -8.376 1.00 0.00 O ATOM 993 CG2 THR A 63 2.090 -1.986 -8.235 1.00 0.00 C ATOM 0 H THR A 63 0.613 -4.184 -10.279 1.00 0.00 H new ATOM 0 HA THR A 63 -0.813 -1.728 -10.067 1.00 0.00 H new ATOM 0 HB THR A 63 0.037 -2.160 -7.674 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.721 0.075 -7.504 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.405 -1.604 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.237 -3.066 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.684 -1.517 -9.019 1.00 0.00 H new ATOM 1001 N CYS A 64 1.409 -0.531 -11.046 1.00 0.00 N ATOM 1002 CA CYS A 64 2.372 -0.049 -12.030 1.00 0.00 C ATOM 1003 C CYS A 64 3.098 1.190 -11.517 1.00 0.00 C ATOM 1004 O CYS A 64 2.596 1.901 -10.646 1.00 0.00 O ATOM 1005 CB CYS A 64 1.669 0.267 -13.350 1.00 0.00 C ATOM 1006 SG CYS A 64 0.383 1.531 -13.218 1.00 0.00 S ATOM 0 H CYS A 64 0.949 0.205 -10.511 1.00 0.00 H new ATOM 0 HA CYS A 64 3.107 -0.836 -12.198 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.413 0.595 -14.076 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.225 -0.648 -13.741 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.151 1.730 -14.386 1.00 0.00 H new ATOM 1012 N ARG A 65 4.284 1.442 -12.061 1.00 0.00 N ATOM 1013 CA ARG A 65 5.081 2.594 -11.657 1.00 0.00 C ATOM 1014 C ARG A 65 4.258 3.877 -11.727 1.00 0.00 C ATOM 1015 O ARG A 65 3.259 3.964 -12.441 1.00 0.00 O ATOM 1016 CB ARG A 65 6.320 2.721 -12.545 1.00 0.00 C ATOM 1017 CG ARG A 65 7.439 1.763 -12.171 1.00 0.00 C ATOM 1018 CD ARG A 65 8.604 1.860 -13.144 1.00 0.00 C ATOM 1019 NE ARG A 65 9.845 1.354 -12.563 1.00 0.00 N ATOM 1020 CZ ARG A 65 10.846 0.860 -13.284 1.00 0.00 C ATOM 1021 NH1 ARG A 65 10.751 0.805 -14.605 1.00 0.00 N ATOM 1022 NH2 ARG A 65 11.943 0.419 -12.682 1.00 0.00 N ATOM 0 H ARG A 65 4.714 0.864 -12.783 1.00 0.00 H new ATOM 0 HA ARG A 65 5.396 2.441 -10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.033 2.544 -13.582 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.694 3.743 -12.488 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.787 1.984 -11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.057 0.742 -12.160 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.370 1.296 -14.047 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.741 2.899 -13.443 1.00 0.00 H new ATOM 0 HE ARG A 65 9.949 1.381 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.908 1.142 -15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.521 0.425 -15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.018 0.459 -11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.711 0.040 -13.236 1.00 0.00 H new ATOM 1036 N PRO A 66 4.686 4.897 -10.969 1.00 0.00 N ATOM 1037 CA PRO A 66 5.874 4.805 -10.115 1.00 0.00 C ATOM 1038 C PRO A 66 5.659 3.880 -8.922 1.00 0.00 C ATOM 1039 O PRO A 66 6.557 3.692 -8.100 1.00 0.00 O ATOM 1040 CB PRO A 66 6.084 6.246 -9.643 1.00 0.00 C ATOM 1041 CG PRO A 66 4.734 6.871 -9.721 1.00 0.00 C ATOM 1042 CD PRO A 66 4.042 6.219 -10.886 1.00 0.00 C ATOM 0 HA PRO A 66 6.728 4.388 -10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.476 6.276 -8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.800 6.770 -10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.177 6.712 -8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.811 7.949 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.968 6.133 -10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.177 6.790 -11.805 1.00 0.00 H new ATOM 1050 N PHE A 67 4.466 3.303 -8.833 1.00 0.00 N ATOM 1051 CA PHE A 67 4.134 2.397 -7.740 1.00 0.00 C ATOM 1052 C PHE A 67 4.362 0.945 -8.148 1.00 0.00 C ATOM 1053 O PHE A 67 3.901 0.505 -9.202 1.00 0.00 O ATOM 1054 CB PHE A 67 2.679 2.595 -7.309 1.00 0.00 C ATOM 1055 CG PHE A 67 2.509 3.619 -6.224 1.00 0.00 C ATOM 1056 CD1 PHE A 67 2.918 3.350 -4.928 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.939 4.852 -6.500 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.764 4.290 -3.927 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.782 5.796 -5.503 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.194 5.515 -4.215 1.00 0.00 C ATOM 0 H PHE A 67 3.712 3.447 -9.505 1.00 0.00 H new ATOM 0 HA PHE A 67 4.789 2.627 -6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.089 2.894 -8.176 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.278 1.642 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.363 2.393 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.614 5.077 -7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.089 4.067 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.337 6.753 -5.731 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.071 6.251 -3.435 1.00 0.00 H new ATOM 1070 N SER A 68 5.077 0.205 -7.307 1.00 0.00 N ATOM 1071 CA SER A 68 5.371 -1.197 -7.581 1.00 0.00 C ATOM 1072 C SER A 68 5.637 -1.960 -6.287 1.00 0.00 C ATOM 1073 O SER A 68 6.028 -1.374 -5.278 1.00 0.00 O ATOM 1074 CB SER A 68 6.578 -1.314 -8.513 1.00 0.00 C ATOM 1075 OG SER A 68 6.220 -1.020 -9.852 1.00 0.00 O ATOM 0 H SER A 68 5.464 0.553 -6.430 1.00 0.00 H new ATOM 0 HA SER A 68 4.501 -1.636 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.362 -0.632 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.989 -2.322 -8.456 1.00 0.00 H new ATOM 0 HG SER A 68 5.348 -0.573 -9.867 1.00 0.00 H new ATOM 1081 N ILE A 69 5.421 -3.271 -6.326 1.00 0.00 N ATOM 1082 CA ILE A 69 5.639 -4.115 -5.158 1.00 0.00 C ATOM 1083 C ILE A 69 5.873 -5.566 -5.564 1.00 0.00 C ATOM 1084 O ILE A 69 5.662 -5.939 -6.717 1.00 0.00 O ATOM 1085 CB ILE A 69 4.444 -4.051 -4.187 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.424 -5.139 -4.529 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.796 -2.676 -4.235 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.898 -5.051 -5.944 1.00 0.00 C ATOM 0 H ILE A 69 5.095 -3.771 -7.153 1.00 0.00 H new ATOM 0 HA ILE A 69 6.527 -3.734 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 69 4.807 -4.224 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.884 -6.116 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.587 -5.072 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.954 -2.646 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.527 -1.919 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.443 -2.475 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.180 -5.853 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.409 -4.088 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.726 -5.148 -6.647 1.00 0.00 H new ATOM 1100 N GLU A 70 6.309 -6.379 -4.607 1.00 0.00 N ATOM 1101 CA GLU A 70 6.571 -7.790 -4.865 1.00 0.00 C ATOM 1102 C GLU A 70 6.774 -8.554 -3.560 1.00 0.00 C ATOM 1103 O GLU A 70 7.194 -7.998 -2.545 1.00 0.00 O ATOM 1104 CB GLU A 70 7.805 -7.947 -5.758 1.00 0.00 C ATOM 1105 CG GLU A 70 9.114 -7.980 -4.987 1.00 0.00 C ATOM 1106 CD GLU A 70 10.275 -7.421 -5.785 1.00 0.00 C ATOM 1107 OE1 GLU A 70 10.408 -6.181 -5.851 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.051 -8.224 -6.345 1.00 0.00 O ATOM 0 H GLU A 70 6.488 -6.085 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 70 5.704 -8.206 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.710 -8.866 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.834 -7.123 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.003 -7.409 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.337 -9.008 -4.700 1.00 0.00 H new ATOM 1115 N PRO A 71 6.467 -9.859 -3.585 1.00 0.00 N ATOM 1116 CA PRO A 71 5.965 -10.531 -4.787 1.00 0.00 C ATOM 1117 C PRO A 71 4.551 -10.092 -5.149 1.00 0.00 C ATOM 1118 O PRO A 71 3.655 -10.091 -4.305 1.00 0.00 O ATOM 1119 CB PRO A 71 5.982 -12.012 -4.399 1.00 0.00 C ATOM 1120 CG PRO A 71 5.870 -12.015 -2.914 1.00 0.00 C ATOM 1121 CD PRO A 71 6.586 -10.780 -2.442 1.00 0.00 C ATOM 0 HA PRO A 71 6.568 -10.299 -5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.154 -12.552 -4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.901 -12.497 -4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.826 -12.004 -2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.320 -12.913 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.126 -10.367 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.628 -10.988 -2.200 1.00 0.00 H new ATOM 1129 N ALA A 72 4.357 -9.718 -6.410 1.00 0.00 N ATOM 1130 CA ALA A 72 3.050 -9.278 -6.884 1.00 0.00 C ATOM 1131 C ALA A 72 1.946 -10.205 -6.388 1.00 0.00 C ATOM 1132 O ALA A 72 0.808 -9.778 -6.187 1.00 0.00 O ATOM 1133 CB ALA A 72 3.037 -9.205 -8.404 1.00 0.00 C ATOM 0 H ALA A 72 5.088 -9.711 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 72 2.861 -8.283 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.055 -8.875 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.794 -8.497 -8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.252 -10.190 -8.817 1.00 0.00 H new ATOM 1139 N ILE A 73 2.288 -11.474 -6.193 1.00 0.00 N ATOM 1140 CA ILE A 73 1.325 -12.460 -5.719 1.00 0.00 C ATOM 1141 C ILE A 73 1.966 -13.423 -4.726 1.00 0.00 C ATOM 1142 O ILE A 73 3.163 -13.698 -4.797 1.00 0.00 O ATOM 1143 CB ILE A 73 0.726 -13.268 -6.887 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.161 -14.395 -6.354 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.834 -13.830 -7.765 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -0.974 -15.083 -7.428 1.00 0.00 C ATOM 0 H ILE A 73 3.225 -11.843 -6.356 1.00 0.00 H new ATOM 0 HA ILE A 73 0.527 -11.908 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 73 0.111 -12.602 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.465 -15.134 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.837 -13.989 -5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.395 -14.398 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.429 -13.011 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.472 -14.484 -7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.579 -15.870 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.626 -14.356 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.304 -15.519 -8.169 1.00 0.00 H new ATOM 1158 N GLY A 74 1.160 -13.934 -3.800 1.00 0.00 N ATOM 1159 CA GLY A 74 1.667 -14.862 -2.806 1.00 0.00 C ATOM 1160 C GLY A 74 0.562 -15.655 -2.137 1.00 0.00 C ATOM 1161 O GLY A 74 -0.619 -15.337 -2.284 1.00 0.00 O ATOM 0 H GLY A 74 0.165 -13.722 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.368 -15.549 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.224 -14.310 -2.049 1.00 0.00 H new ATOM 1165 N THR A 75 0.944 -16.693 -1.400 1.00 0.00 N ATOM 1166 CA THR A 75 -0.023 -17.536 -0.708 1.00 0.00 C ATOM 1167 C THR A 75 0.321 -17.667 0.772 1.00 0.00 C ATOM 1168 O THR A 75 1.316 -18.297 1.135 1.00 0.00 O ATOM 1169 CB THR A 75 -0.093 -18.942 -1.333 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.229 -19.465 -1.512 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.813 -18.903 -2.673 1.00 0.00 C ATOM 0 H THR A 75 1.917 -16.970 -1.267 1.00 0.00 H new ATOM 0 HA THR A 75 -0.994 -17.052 -0.812 1.00 0.00 H new ATOM 0 HB THR A 75 -0.651 -19.589 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.765 -19.281 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.850 -19.907 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.828 -18.532 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.277 -18.242 -3.355 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.507 -17.070 1.622 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.290 -17.121 3.064 1.00 0.00 C ATOM 1181 C LEU A 76 -1.307 -18.039 3.735 1.00 0.00 C ATOM 1182 O LEU A 76 -2.496 -18.000 3.420 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.380 -15.717 3.663 1.00 0.00 C ATOM 1184 CG LEU A 76 -0.020 -15.594 5.144 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.454 -15.898 5.362 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.363 -14.206 5.663 1.00 0.00 C ATOM 0 H LEU A 76 -1.334 -16.545 1.338 1.00 0.00 H new ATOM 0 HA LEU A 76 0.708 -17.522 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.277 -15.058 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.397 -15.350 3.525 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.607 -16.323 5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.692 -15.805 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.669 -16.913 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.059 -15.193 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.100 -14.137 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.196 -13.459 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.431 -14.026 5.543 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.832 -18.862 4.664 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.700 -19.788 5.382 1.00 0.00 C ATOM 1200 C ASN A 77 -2.040 -19.251 6.769 1.00 0.00 C ATOM 1201 O ASN A 77 -1.399 -18.323 7.261 1.00 0.00 O ATOM 1202 CB ASN A 77 -1.030 -21.158 5.503 1.00 0.00 C ATOM 1203 CG ASN A 77 0.484 -21.067 5.468 1.00 0.00 C ATOM 1204 OD1 ASN A 77 1.064 -20.045 5.837 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.131 -22.137 5.022 1.00 0.00 N ATOM 0 H ASN A 77 0.150 -18.907 4.937 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.625 -19.892 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.341 -21.631 6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.372 -21.799 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.150 -22.134 4.975 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.609 -22.962 4.727 1.00 0.00 H new ATOM 1212 N VAL A 78 -3.052 -19.843 7.394 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.477 -19.426 8.725 1.00 0.00 C ATOM 1214 C VAL A 78 -2.418 -19.761 9.770 1.00 0.00 C ATOM 1215 O VAL A 78 -1.897 -20.874 9.807 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.806 -20.095 9.126 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.285 -19.568 10.470 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.859 -19.872 8.050 1.00 0.00 C ATOM 0 H VAL A 78 -3.593 -20.613 7.000 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.619 -18.346 8.688 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.639 -21.168 9.223 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.225 -20.052 10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.537 -19.783 11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.437 -18.491 10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.792 -20.351 8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.026 -18.803 7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.515 -20.303 7.110 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.104 -18.787 10.619 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.109 -18.997 11.654 1.00 0.00 C ATOM 1230 C GLY A 79 0.249 -18.440 11.274 1.00 0.00 C ATOM 1231 O GLY A 79 0.975 -17.925 12.124 1.00 0.00 O ATOM 0 H GLY A 79 -2.521 -17.856 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.446 -18.527 12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.017 -20.064 11.854 1.00 0.00 H new ATOM 1235 N GLU A 80 0.593 -18.546 9.994 1.00 0.00 N ATOM 1236 CA GLU A 80 1.875 -18.050 9.505 1.00 0.00 C ATOM 1237 C GLU A 80 1.734 -16.638 8.945 1.00 0.00 C ATOM 1238 O GLU A 80 0.634 -16.199 8.607 1.00 0.00 O ATOM 1239 CB GLU A 80 2.431 -18.984 8.429 1.00 0.00 C ATOM 1240 CG GLU A 80 2.471 -20.443 8.851 1.00 0.00 C ATOM 1241 CD GLU A 80 3.566 -20.729 9.860 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.733 -20.881 9.443 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.256 -20.798 11.068 1.00 0.00 O ATOM 0 H GLU A 80 0.003 -18.970 9.278 1.00 0.00 H new ATOM 0 HA GLU A 80 2.569 -18.021 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.822 -18.891 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.439 -18.663 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.507 -20.720 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.621 -21.068 7.971 1.00 0.00 H new ATOM 1250 N SER A 81 2.855 -15.930 8.851 1.00 0.00 N ATOM 1251 CA SER A 81 2.857 -14.566 8.336 1.00 0.00 C ATOM 1252 C SER A 81 3.876 -14.411 7.211 1.00 0.00 C ATOM 1253 O SER A 81 4.598 -15.351 6.879 1.00 0.00 O ATOM 1254 CB SER A 81 3.168 -13.575 9.460 1.00 0.00 C ATOM 1255 OG SER A 81 2.304 -13.771 10.566 1.00 0.00 O ATOM 0 H SER A 81 3.774 -16.279 9.125 1.00 0.00 H new ATOM 0 HA SER A 81 1.865 -14.353 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.204 -13.694 9.778 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.064 -12.555 9.089 1.00 0.00 H new ATOM 0 HG SER A 81 2.524 -13.127 11.271 1.00 0.00 H new ATOM 1261 N MET A 82 3.927 -13.218 6.628 1.00 0.00 N ATOM 1262 CA MET A 82 4.857 -12.939 5.540 1.00 0.00 C ATOM 1263 C MET A 82 5.165 -11.448 5.457 1.00 0.00 C ATOM 1264 O MET A 82 4.592 -10.645 6.193 1.00 0.00 O ATOM 1265 CB MET A 82 4.281 -13.428 4.209 1.00 0.00 C ATOM 1266 CG MET A 82 3.251 -12.484 3.610 1.00 0.00 C ATOM 1267 SD MET A 82 3.946 -11.419 2.332 1.00 0.00 S ATOM 1268 CE MET A 82 3.937 -12.528 0.925 1.00 0.00 C ATOM 0 H MET A 82 3.336 -12.429 6.890 1.00 0.00 H new ATOM 0 HA MET A 82 5.785 -13.473 5.743 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.096 -13.563 3.497 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.823 -14.406 4.358 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.433 -13.067 3.187 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.826 -11.866 4.401 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.340 -12.013 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.551 -13.401 1.146 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.915 -12.846 0.719 1.00 0.00 H new ATOM 1278 N GLN A 83 6.074 -11.084 4.557 1.00 0.00 N ATOM 1279 CA GLN A 83 6.457 -9.689 4.380 1.00 0.00 C ATOM 1280 C GLN A 83 6.321 -9.268 2.921 1.00 0.00 C ATOM 1281 O GLN A 83 6.559 -10.062 2.010 1.00 0.00 O ATOM 1282 CB GLN A 83 7.895 -9.469 4.855 1.00 0.00 C ATOM 1283 CG GLN A 83 8.004 -9.152 6.337 1.00 0.00 C ATOM 1284 CD GLN A 83 9.430 -8.869 6.770 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.378 -9.445 6.237 1.00 0.00 O ATOM 1286 NE2 GLN A 83 9.588 -7.978 7.741 1.00 0.00 N ATOM 0 H GLN A 83 6.558 -11.736 3.940 1.00 0.00 H new ATOM 0 HA GLN A 83 5.785 -9.075 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.481 -10.362 4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.337 -8.652 4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.380 -8.288 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.613 -9.990 6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.773 -7.524 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.524 -7.747 8.074 1.00 0.00 H new ATOM 1295 N LEU A 84 5.937 -8.014 2.705 1.00 0.00 N ATOM 1296 CA LEU A 84 5.769 -7.487 1.356 1.00 0.00 C ATOM 1297 C LEU A 84 6.637 -6.252 1.141 1.00 0.00 C ATOM 1298 O LEU A 84 6.422 -5.214 1.767 1.00 0.00 O ATOM 1299 CB LEU A 84 4.300 -7.142 1.101 1.00 0.00 C ATOM 1300 CG LEU A 84 3.331 -8.324 1.056 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.894 -7.834 0.979 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.651 -9.231 -0.123 1.00 0.00 C ATOM 0 H LEU A 84 5.736 -7.344 3.447 1.00 0.00 H new ATOM 0 HA LEU A 84 6.083 -8.256 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.968 -6.456 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.232 -6.606 0.154 1.00 0.00 H new ATOM 0 HG LEU A 84 3.448 -8.900 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.219 -8.689 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.669 -7.226 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.762 -7.234 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.952 -10.067 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.563 -8.666 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.668 -9.611 -0.024 1.00 0.00 H new ATOM 1314 N GLU A 85 7.618 -6.371 0.252 1.00 0.00 N ATOM 1315 CA GLU A 85 8.518 -5.263 -0.046 1.00 0.00 C ATOM 1316 C GLU A 85 7.926 -4.355 -1.121 1.00 0.00 C ATOM 1317 O GLU A 85 7.954 -4.680 -2.308 1.00 0.00 O ATOM 1318 CB GLU A 85 9.880 -5.791 -0.501 1.00 0.00 C ATOM 1319 CG GLU A 85 10.812 -6.141 0.646 1.00 0.00 C ATOM 1320 CD GLU A 85 11.845 -7.182 0.262 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.445 -7.050 -0.825 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.055 -8.128 1.050 1.00 0.00 O ATOM 0 H GLU A 85 7.810 -7.223 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 85 8.649 -4.680 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.729 -6.677 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.359 -5.041 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.320 -5.238 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.225 -6.510 1.487 1.00 0.00 H new ATOM 1329 N VAL A 86 7.391 -3.215 -0.695 1.00 0.00 N ATOM 1330 CA VAL A 86 6.793 -2.259 -1.620 1.00 0.00 C ATOM 1331 C VAL A 86 7.827 -1.255 -2.117 1.00 0.00 C ATOM 1332 O VAL A 86 8.557 -0.659 -1.326 1.00 0.00 O ATOM 1333 CB VAL A 86 5.627 -1.497 -0.963 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.275 -0.258 -1.773 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.417 -2.405 -0.809 1.00 0.00 C ATOM 0 H VAL A 86 7.359 -2.931 0.284 1.00 0.00 H new ATOM 0 HA VAL A 86 6.412 -2.832 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 86 5.940 -1.175 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.449 0.268 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.142 0.400 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.981 -0.553 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.603 -1.850 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.100 -2.759 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.679 -3.258 -0.183 1.00 0.00 H new ATOM 1345 N GLU A 87 7.882 -1.073 -3.432 1.00 0.00 N ATOM 1346 CA GLU A 87 8.828 -0.140 -4.035 1.00 0.00 C ATOM 1347 C GLU A 87 8.096 1.021 -4.702 1.00 0.00 C ATOM 1348 O GLU A 87 7.162 0.817 -5.478 1.00 0.00 O ATOM 1349 CB GLU A 87 9.706 -0.861 -5.060 1.00 0.00 C ATOM 1350 CG GLU A 87 10.920 -0.056 -5.493 1.00 0.00 C ATOM 1351 CD GLU A 87 11.377 -0.400 -6.898 1.00 0.00 C ATOM 1352 OE1 GLU A 87 10.509 -0.593 -7.774 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.604 -0.477 -7.120 1.00 0.00 O ATOM 0 H GLU A 87 7.284 -1.558 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 87 9.461 0.260 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.040 -1.808 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.105 -1.098 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.684 1.007 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.738 -0.235 -4.795 1.00 0.00 H new ATOM 1360 N PHE A 88 8.528 2.239 -4.393 1.00 0.00 N ATOM 1361 CA PHE A 88 7.914 3.434 -4.961 1.00 0.00 C ATOM 1362 C PHE A 88 8.928 4.570 -5.065 1.00 0.00 C ATOM 1363 O PHE A 88 9.396 5.092 -4.054 1.00 0.00 O ATOM 1364 CB PHE A 88 6.723 3.876 -4.108 1.00 0.00 C ATOM 1365 CG PHE A 88 6.286 5.288 -4.374 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.629 5.614 -5.550 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.532 6.289 -3.449 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.225 6.913 -5.798 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.130 7.589 -3.691 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.477 7.902 -4.867 1.00 0.00 C ATOM 0 H PHE A 88 9.300 2.425 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 88 7.564 3.190 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.885 3.204 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.985 3.777 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.430 4.844 -6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.044 6.051 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.713 7.154 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.326 8.360 -2.961 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.164 8.918 -5.058 1.00 0.00 H new ATOM 1380 N GLU A 89 9.263 4.945 -6.296 1.00 0.00 N ATOM 1381 CA GLU A 89 10.222 6.017 -6.533 1.00 0.00 C ATOM 1382 C GLU A 89 9.640 7.071 -7.470 1.00 0.00 C ATOM 1383 O GLU A 89 9.581 6.892 -8.687 1.00 0.00 O ATOM 1384 CB GLU A 89 11.516 5.453 -7.123 1.00 0.00 C ATOM 1385 CG GLU A 89 12.556 6.515 -7.436 1.00 0.00 C ATOM 1386 CD GLU A 89 13.726 5.969 -8.231 1.00 0.00 C ATOM 1387 OE1 GLU A 89 13.558 5.724 -9.444 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.811 5.787 -7.640 1.00 0.00 O ATOM 0 H GLU A 89 8.884 4.522 -7.144 1.00 0.00 H new ATOM 0 HA GLU A 89 10.443 6.489 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.942 4.735 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.281 4.906 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.087 7.324 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.924 6.944 -6.504 1.00 0.00 H new ATOM 1395 N PRO A 90 9.199 8.198 -6.891 1.00 0.00 N ATOM 1396 CA PRO A 90 8.614 9.304 -7.655 1.00 0.00 C ATOM 1397 C PRO A 90 9.648 10.030 -8.509 1.00 0.00 C ATOM 1398 O PRO A 90 10.846 9.770 -8.403 1.00 0.00 O ATOM 1399 CB PRO A 90 8.067 10.234 -6.570 1.00 0.00 C ATOM 1400 CG PRO A 90 8.896 9.942 -5.367 1.00 0.00 C ATOM 1401 CD PRO A 90 9.239 8.480 -5.447 1.00 0.00 C ATOM 0 HA PRO A 90 7.858 8.958 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.152 11.280 -6.865 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.011 10.042 -6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.798 10.555 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.348 10.165 -4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.223 8.275 -5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.523 7.869 -4.898 1.00 0.00 H new ATOM 1409 N GLN A 91 9.176 10.942 -9.353 1.00 0.00 N ATOM 1410 CA GLN A 91 10.062 11.705 -10.225 1.00 0.00 C ATOM 1411 C GLN A 91 9.979 13.196 -9.913 1.00 0.00 C ATOM 1412 O GLN A 91 10.971 13.918 -10.014 1.00 0.00 O ATOM 1413 CB GLN A 91 9.706 11.458 -11.691 1.00 0.00 C ATOM 1414 CG GLN A 91 10.262 10.154 -12.241 1.00 0.00 C ATOM 1415 CD GLN A 91 11.753 10.222 -12.508 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.182 10.544 -13.617 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.552 9.920 -11.492 1.00 0.00 N ATOM 0 H GLN A 91 8.187 11.170 -9.452 1.00 0.00 H new ATOM 0 HA GLN A 91 11.084 11.371 -10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.621 11.454 -11.797 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.082 12.286 -12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.060 9.350 -11.533 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.742 9.903 -13.166 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.154 9.658 -10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.564 9.950 -11.613 1.00 0.00 H new ATOM 1426 N SER A 92 8.789 13.651 -9.535 1.00 0.00 N ATOM 1427 CA SER A 92 8.575 15.058 -9.213 1.00 0.00 C ATOM 1428 C SER A 92 8.237 15.231 -7.736 1.00 0.00 C ATOM 1429 O SER A 92 7.280 14.643 -7.232 1.00 0.00 O ATOM 1430 CB SER A 92 7.452 15.635 -10.076 1.00 0.00 C ATOM 1431 OG SER A 92 7.954 16.120 -11.309 1.00 0.00 O ATOM 0 H SER A 92 7.958 13.066 -9.444 1.00 0.00 H new ATOM 0 HA SER A 92 9.498 15.598 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.701 14.867 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.955 16.443 -9.539 1.00 0.00 H new ATOM 0 HG SER A 92 7.216 16.482 -11.843 1.00 0.00 H new ATOM 1437 N VAL A 93 9.031 16.044 -7.045 1.00 0.00 N ATOM 1438 CA VAL A 93 8.817 16.297 -5.625 1.00 0.00 C ATOM 1439 C VAL A 93 7.393 16.775 -5.361 1.00 0.00 C ATOM 1440 O VAL A 93 6.892 17.672 -6.038 1.00 0.00 O ATOM 1441 CB VAL A 93 9.807 17.347 -5.087 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.798 18.589 -5.964 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.476 17.700 -3.645 1.00 0.00 C ATOM 0 H VAL A 93 9.828 16.538 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 93 8.983 15.353 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 93 10.810 16.922 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.504 19.319 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.087 18.319 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.797 19.020 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.185 18.443 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.466 18.106 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.540 16.804 -3.027 1.00 0.00 H new ATOM 1453 N GLY A 94 6.746 16.169 -4.370 1.00 0.00 N ATOM 1454 CA GLY A 94 5.386 16.546 -4.033 1.00 0.00 C ATOM 1455 C GLY A 94 4.692 15.506 -3.175 1.00 0.00 C ATOM 1456 O GLY A 94 5.346 14.711 -2.500 1.00 0.00 O ATOM 0 H GLY A 94 7.139 15.424 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.397 17.500 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.816 16.695 -4.950 1.00 0.00 H new ATOM 1460 N ASP A 95 3.364 15.513 -3.200 1.00 0.00 N ATOM 1461 CA ASP A 95 2.580 14.563 -2.418 1.00 0.00 C ATOM 1462 C ASP A 95 1.659 13.746 -3.320 1.00 0.00 C ATOM 1463 O ASP A 95 0.715 14.277 -3.905 1.00 0.00 O ATOM 1464 CB ASP A 95 1.756 15.299 -1.360 1.00 0.00 C ATOM 1465 CG ASP A 95 2.461 16.532 -0.831 1.00 0.00 C ATOM 1466 OD1 ASP A 95 3.464 16.376 -0.102 1.00 0.00 O ATOM 1467 OD2 ASP A 95 2.012 17.653 -1.147 1.00 0.00 O ATOM 0 H ASP A 95 2.808 16.165 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 95 3.270 13.882 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.796 15.588 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.545 14.622 -0.532 1.00 0.00 H new ATOM 1472 N HIS A 96 1.942 12.452 -3.428 1.00 0.00 N ATOM 1473 CA HIS A 96 1.140 11.561 -4.259 1.00 0.00 C ATOM 1474 C HIS A 96 0.265 10.656 -3.398 1.00 0.00 C ATOM 1475 O HIS A 96 0.604 10.355 -2.253 1.00 0.00 O ATOM 1476 CB HIS A 96 2.044 10.714 -5.155 1.00 0.00 C ATOM 1477 CG HIS A 96 3.077 11.511 -5.890 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.021 11.748 -7.247 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.197 12.130 -5.447 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.062 12.476 -7.608 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.791 12.722 -6.534 1.00 0.00 N ATOM 0 H HIS A 96 2.720 11.997 -2.951 1.00 0.00 H new ATOM 0 HA HIS A 96 0.492 12.174 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.544 9.962 -4.545 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.427 10.180 -5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.556 12.154 -4.429 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.280 12.813 -8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.655 13.264 -6.515 1.00 0.00 H new ATOM 1490 N SER A 97 -0.863 10.226 -3.955 1.00 0.00 N ATOM 1491 CA SER A 97 -1.789 9.359 -3.236 1.00 0.00 C ATOM 1492 C SER A 97 -2.476 8.388 -4.191 1.00 0.00 C ATOM 1493 O SER A 97 -3.110 8.798 -5.162 1.00 0.00 O ATOM 1494 CB SER A 97 -2.837 10.196 -2.500 1.00 0.00 C ATOM 1495 OG SER A 97 -3.411 11.166 -3.359 1.00 0.00 O ATOM 0 H SER A 97 -1.157 10.464 -4.902 1.00 0.00 H new ATOM 0 HA SER A 97 -1.218 8.783 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.618 9.544 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.377 10.690 -1.645 1.00 0.00 H new ATOM 0 HG SER A 97 -3.530 10.782 -4.253 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.346 7.096 -3.906 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.959 6.085 -4.748 1.00 0.00 C ATOM 1503 C GLY A 98 -3.691 5.028 -3.945 1.00 0.00 C ATOM 1504 O GLY A 98 -4.237 5.315 -2.880 1.00 0.00 O ATOM 0 H GLY A 98 -1.827 6.731 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.657 6.563 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.190 5.608 -5.356 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.704 3.801 -4.457 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.377 2.699 -3.782 1.00 0.00 C ATOM 1510 C ARG A 99 -3.972 1.360 -4.391 1.00 0.00 C ATOM 1511 O ARG A 99 -3.623 1.282 -5.570 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.895 2.871 -3.866 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.522 2.172 -5.062 1.00 0.00 C ATOM 1514 CD ARG A 99 -7.774 2.893 -5.535 1.00 0.00 C ATOM 1515 NE ARG A 99 -7.492 4.264 -5.953 1.00 0.00 N ATOM 1516 CZ ARG A 99 -8.421 5.104 -6.394 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -9.686 4.715 -6.475 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -8.086 6.336 -6.756 1.00 0.00 N ATOM 0 H ARG A 99 -3.256 3.546 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.075 2.709 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.347 2.485 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.130 3.934 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.799 2.123 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.771 1.145 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.216 2.344 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.511 2.903 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.528 4.594 -5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.947 3.769 -6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.398 5.362 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.114 6.639 -6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.801 6.980 -7.095 1.00 0.00 H new ATOM 1532 N LEU A 100 -4.020 0.308 -3.581 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.658 -1.029 -4.039 1.00 0.00 C ATOM 1534 C LEU A 100 -4.866 -1.959 -4.014 1.00 0.00 C ATOM 1535 O LEU A 100 -5.532 -2.099 -2.988 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.539 -1.602 -3.168 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.238 -0.801 -3.132 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.433 -1.144 -1.888 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.418 -1.058 -4.388 1.00 0.00 C ATOM 0 H LEU A 100 -4.306 0.355 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.305 -0.951 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.912 -1.696 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.312 -2.609 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.488 0.259 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.490 -0.564 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.018 -0.907 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.193 -2.207 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.505 -0.479 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.178 -2.119 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.993 -0.760 -5.265 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.142 -2.594 -5.148 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.267 -3.514 -5.255 1.00 0.00 C ATOM 1553 C ILE A 101 -5.803 -4.963 -5.166 1.00 0.00 C ATOM 1554 O ILE A 101 -4.991 -5.417 -5.973 1.00 0.00 O ATOM 1555 CB ILE A 101 -7.036 -3.312 -6.574 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.516 -1.864 -6.693 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.212 -4.274 -6.653 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.610 -1.375 -8.122 1.00 0.00 C ATOM 0 H ILE A 101 -4.601 -2.488 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.932 -3.297 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.364 -3.521 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.495 -1.774 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.835 -1.217 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.746 -4.120 -7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.846 -5.300 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.887 -4.093 -5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.956 -0.342 -8.131 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.628 -1.433 -8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.313 -1.998 -8.674 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.325 -5.687 -4.181 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.967 -7.087 -3.988 1.00 0.00 C ATOM 1572 C VAL A 102 -7.124 -8.007 -4.360 1.00 0.00 C ATOM 1573 O VAL A 102 -8.198 -7.945 -3.759 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.552 -7.365 -2.531 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.993 -8.773 -2.394 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.539 -6.333 -2.060 1.00 0.00 C ATOM 0 H VAL A 102 -6.998 -5.327 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.120 -7.290 -4.644 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.437 -7.288 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.705 -8.951 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.753 -9.497 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.120 -8.882 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.257 -6.545 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.654 -6.376 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.979 -5.338 -2.119 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.899 -8.860 -5.353 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.924 -9.794 -5.806 1.00 0.00 C ATOM 1588 C CYS A 103 -7.817 -11.122 -5.062 1.00 0.00 C ATOM 1589 O CYS A 103 -6.739 -11.710 -4.974 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.801 -10.028 -7.312 1.00 0.00 C ATOM 1591 SG CYS A 103 -6.207 -10.712 -7.825 1.00 0.00 S ATOM 0 H CYS A 103 -6.016 -8.924 -5.860 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.899 -9.356 -5.592 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.594 -10.705 -7.630 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.962 -9.083 -7.830 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.250 -9.925 -7.431 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.940 -11.586 -4.527 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.972 -12.842 -3.787 1.00 0.00 C ATOM 1599 C TYR A 104 -9.496 -13.977 -4.662 1.00 0.00 C ATOM 1600 O TYR A 104 -10.321 -13.761 -5.550 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.845 -12.701 -2.539 1.00 0.00 C ATOM 1602 CG TYR A 104 -9.139 -12.036 -1.378 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.886 -10.670 -1.384 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.727 -12.774 -0.276 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -8.240 -10.059 -0.327 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.083 -12.171 0.787 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.841 -10.814 0.757 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.200 -10.208 1.813 1.00 0.00 O ATOM 0 H TYR A 104 -9.841 -11.111 -4.592 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.953 -13.082 -3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.734 -12.124 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -10.184 -13.690 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.200 -10.076 -2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.913 -13.837 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.048 -8.996 -0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.771 -12.759 1.637 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.793 -10.198 2.593 1.00 0.00 H new ATOM 1618 N ASP A 105 -9.011 -15.186 -4.403 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.431 -16.357 -5.165 1.00 0.00 C ATOM 1620 C ASP A 105 -10.952 -16.441 -5.239 1.00 0.00 C ATOM 1621 O ASP A 105 -11.517 -16.767 -6.283 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.868 -17.631 -4.534 1.00 0.00 C ATOM 1623 CG ASP A 105 -9.257 -18.879 -5.302 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.586 -19.190 -6.309 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -10.232 -19.545 -4.897 1.00 0.00 O ATOM 0 H ASP A 105 -8.327 -15.381 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.041 -16.259 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.781 -17.560 -4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.226 -17.713 -3.508 1.00 0.00 H new ATOM 1630 N THR A 106 -11.611 -16.144 -4.123 1.00 0.00 N ATOM 1631 CA THR A 106 -13.067 -16.188 -4.060 1.00 0.00 C ATOM 1632 C THR A 106 -13.685 -15.024 -4.826 1.00 0.00 C ATOM 1633 O THR A 106 -14.691 -15.186 -5.516 1.00 0.00 O ATOM 1634 CB THR A 106 -13.567 -16.154 -2.604 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.999 -16.145 -2.579 1.00 0.00 O ATOM 1636 CG2 THR A 106 -13.035 -14.928 -1.877 1.00 0.00 C ATOM 0 H THR A 106 -11.159 -15.870 -3.250 1.00 0.00 H new ATOM 0 HA THR A 106 -13.376 -17.127 -4.520 1.00 0.00 H new ATOM 0 HB THR A 106 -13.200 -17.046 -2.096 1.00 0.00 H new ATOM 0 HG1 THR A 106 -15.310 -16.125 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 106 -13.402 -14.926 -0.851 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.945 -14.952 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.376 -14.027 -2.386 1.00 0.00 H new ATOM 1644 N GLY A 107 -13.076 -13.849 -4.700 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.582 -12.674 -5.387 1.00 0.00 C ATOM 1646 C GLY A 107 -13.439 -11.412 -4.560 1.00 0.00 C ATOM 1647 O GLY A 107 -13.493 -10.304 -5.092 1.00 0.00 O ATOM 0 H GLY A 107 -12.242 -13.689 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.048 -12.550 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.633 -12.826 -5.634 1.00 0.00 H new ATOM 1651 N GLU A 108 -13.258 -11.580 -3.253 1.00 0.00 N ATOM 1652 CA GLU A 108 -13.111 -10.445 -2.351 1.00 0.00 C ATOM 1653 C GLU A 108 -12.028 -9.491 -2.849 1.00 0.00 C ATOM 1654 O GLU A 108 -11.062 -9.909 -3.488 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.770 -10.927 -0.939 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.974 -11.427 -0.160 1.00 0.00 C ATOM 1657 CD GLU A 108 -13.584 -12.243 1.058 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -12.728 -11.772 1.836 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -14.133 -13.350 1.231 1.00 0.00 O ATOM 0 H GLU A 108 -13.210 -12.491 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.060 -9.910 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.033 -11.727 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.305 -10.110 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.577 -10.575 0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.599 -12.035 -0.815 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.198 -8.207 -2.553 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.237 -7.192 -2.970 1.00 0.00 C ATOM 1668 C LYS A 109 -11.005 -6.174 -1.858 1.00 0.00 C ATOM 1669 O LYS A 109 -11.917 -5.855 -1.095 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.729 -6.482 -4.232 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.643 -5.705 -4.956 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.213 -4.506 -5.695 1.00 0.00 C ATOM 1673 CE LYS A 109 -11.766 -4.900 -7.056 1.00 0.00 C ATOM 1674 NZ LYS A 109 -12.679 -3.861 -7.606 1.00 0.00 N ATOM 0 H LYS A 109 -12.992 -7.844 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.292 -7.689 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.151 -7.221 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.535 -5.799 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.895 -5.369 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.135 -6.361 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.004 -4.052 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.436 -3.752 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.941 -5.063 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.302 -5.845 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.034 -4.167 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.480 -3.724 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.162 -2.965 -7.712 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.780 -5.665 -1.773 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.430 -4.681 -0.756 1.00 0.00 C ATOM 1690 C VAL A 110 -8.779 -3.452 -1.382 1.00 0.00 C ATOM 1691 O VAL A 110 -8.192 -3.529 -2.462 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.474 -5.275 0.295 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.042 -5.268 -0.220 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.582 -4.511 1.606 1.00 0.00 C ATOM 0 H VAL A 110 -9.013 -5.918 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.359 -4.388 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.763 -6.310 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.381 -5.691 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.980 -5.864 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.738 -4.244 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.900 -4.944 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.321 -3.466 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.603 -4.575 1.981 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.887 -2.319 -0.697 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.309 -1.072 -1.186 1.00 0.00 C ATOM 1706 C PHE A 111 -7.380 -0.458 -0.143 1.00 0.00 C ATOM 1707 O PHE A 111 -7.817 -0.057 0.936 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.416 -0.079 -1.547 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.308 -0.555 -2.658 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.908 -0.445 -3.980 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.546 -1.111 -2.380 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.728 -0.881 -5.004 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.370 -1.549 -3.400 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.960 -1.435 -4.713 1.00 0.00 C ATOM 0 H PHE A 111 -9.369 -2.238 0.198 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.726 -1.296 -2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.022 0.115 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.963 0.869 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.945 -0.014 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.871 -1.203 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.406 -0.789 -6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.333 -1.980 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.601 -1.778 -5.512 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.094 -0.388 -0.472 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.102 0.177 0.434 1.00 0.00 C ATOM 1726 C VAL A 112 -4.502 1.457 -0.137 1.00 0.00 C ATOM 1727 O VAL A 112 -3.664 1.414 -1.038 1.00 0.00 O ATOM 1728 CB VAL A 112 -3.968 -0.825 0.721 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -2.981 -0.243 1.721 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.537 -2.142 1.226 1.00 0.00 C ATOM 0 H VAL A 112 -5.715 -0.716 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.619 0.406 1.366 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.434 -1.019 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.187 -0.965 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.549 0.672 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.498 -0.018 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.722 -2.838 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.097 -1.968 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.201 -2.565 0.472 1.00 0.00 H new ATOM 1740 N SER A 113 -4.935 2.596 0.394 1.00 0.00 N ATOM 1741 CA SER A 113 -4.444 3.889 -0.065 1.00 0.00 C ATOM 1742 C SER A 113 -2.918 3.925 -0.055 1.00 0.00 C ATOM 1743 O SER A 113 -2.278 3.350 0.826 1.00 0.00 O ATOM 1744 CB SER A 113 -4.997 5.011 0.816 1.00 0.00 C ATOM 1745 OG SER A 113 -4.039 6.039 0.994 1.00 0.00 O ATOM 0 H SER A 113 -5.625 2.649 1.143 1.00 0.00 H new ATOM 0 HA SER A 113 -4.788 4.038 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.898 5.424 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.286 4.607 1.786 1.00 0.00 H new ATOM 0 HG SER A 113 -4.417 6.744 1.559 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.343 4.606 -1.040 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.892 4.718 -1.146 1.00 0.00 C ATOM 1753 C LEU A 114 -0.432 6.139 -0.834 1.00 0.00 C ATOM 1754 O LEU A 114 -1.134 7.107 -1.124 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.431 4.316 -2.548 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.274 2.816 -2.799 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.085 2.553 -4.253 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.781 2.228 -1.873 1.00 0.00 C ATOM 0 H LEU A 114 -2.858 5.089 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.445 4.043 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.144 4.712 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.526 4.799 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.226 2.330 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.193 1.480 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.704 2.939 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.024 3.051 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.879 1.160 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.737 2.719 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.483 2.384 -0.836 1.00 0.00 H new ATOM 1770 N TYR A 115 0.753 6.255 -0.244 1.00 0.00 N ATOM 1771 CA TYR A 115 1.307 7.557 0.107 1.00 0.00 C ATOM 1772 C TYR A 115 2.828 7.551 -0.012 1.00 0.00 C ATOM 1773 O TYR A 115 3.447 6.498 -0.160 1.00 0.00 O ATOM 1774 CB TYR A 115 0.897 7.943 1.529 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.264 8.909 1.583 1.00 0.00 C ATOM 1776 CD1 TYR A 115 -0.072 10.269 1.376 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.555 8.461 1.840 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.131 11.156 1.426 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.619 9.340 1.890 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.402 10.686 1.683 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.459 11.566 1.731 1.00 0.00 O ATOM 0 H TYR A 115 1.348 5.463 0.001 1.00 0.00 H new ATOM 0 HA TYR A 115 0.909 8.293 -0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.633 7.040 2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.753 8.388 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.922 10.640 1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.729 7.408 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.964 12.211 1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.616 8.975 2.090 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.285 11.075 1.921 1.00 0.00 H new ATOM 1791 N GLY A 116 3.425 8.738 0.054 1.00 0.00 N ATOM 1792 CA GLY A 116 4.868 8.849 -0.047 1.00 0.00 C ATOM 1793 C GLY A 116 5.322 10.266 -0.334 1.00 0.00 C ATOM 1794 O GLY A 116 5.889 10.542 -1.391 1.00 0.00 O ATOM 0 H GLY A 116 2.935 9.624 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.322 8.507 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.226 8.189 -0.837 1.00 0.00 H new ATOM 1798 N ALA A 117 5.071 11.169 0.608 1.00 0.00 N ATOM 1799 CA ALA A 117 5.458 12.565 0.451 1.00 0.00 C ATOM 1800 C ALA A 117 6.931 12.688 0.077 1.00 0.00 C ATOM 1801 O ALA A 117 7.810 12.561 0.929 1.00 0.00 O ATOM 1802 CB ALA A 117 5.169 13.340 1.729 1.00 0.00 C ATOM 0 H ALA A 117 4.601 10.958 1.488 1.00 0.00 H new ATOM 0 HA ALA A 117 4.868 12.991 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.463 14.381 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.103 13.289 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.733 12.905 2.554 1.00 0.00 H new ATOM 1808 N ALA A 118 7.193 12.936 -1.202 1.00 0.00 N ATOM 1809 CA ALA A 118 8.560 13.077 -1.688 1.00 0.00 C ATOM 1810 C ALA A 118 9.039 14.520 -1.569 1.00 0.00 C ATOM 1811 O ALA A 118 8.248 15.458 -1.683 1.00 0.00 O ATOM 1812 CB ALA A 118 8.659 12.604 -3.130 1.00 0.00 C ATOM 0 H ALA A 118 6.477 13.043 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 118 9.205 12.455 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.685 12.715 -3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.367 11.556 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.996 13.202 -3.755 1.00 0.00 H new ATOM 1818 N ILE A 119 10.336 14.691 -1.338 1.00 0.00 N ATOM 1819 CA ILE A 119 10.919 16.021 -1.204 1.00 0.00 C ATOM 1820 C ILE A 119 11.961 16.276 -2.288 1.00 0.00 C ATOM 1821 O ILE A 119 12.244 15.403 -3.109 1.00 0.00 O ATOM 1822 CB ILE A 119 11.573 16.212 0.177 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.768 15.269 0.334 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.556 15.975 1.283 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.884 15.843 1.179 1.00 0.00 C ATOM 0 H ILE A 119 11.003 13.926 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 119 10.103 16.736 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 119 11.931 17.239 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.427 14.335 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 119 13.160 15.025 -0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 119 11.034 16.114 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.734 16.683 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 119 10.170 14.958 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.697 15.120 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.252 16.761 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.508 16.061 2.179 1.00 0.00 H new ATOM 1837 N ASP A 120 12.531 17.476 -2.282 1.00 0.00 N ATOM 1838 CA ASP A 120 13.544 17.846 -3.263 1.00 0.00 C ATOM 1839 C ASP A 120 14.900 18.049 -2.593 1.00 0.00 C ATOM 1840 O ASP A 120 15.097 19.010 -1.849 1.00 0.00 O ATOM 1841 CB ASP A 120 13.130 19.119 -4.001 1.00 0.00 C ATOM 1842 CG ASP A 120 13.755 19.220 -5.379 1.00 0.00 C ATOM 1843 OD1 ASP A 120 13.465 18.351 -6.228 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.535 20.168 -5.608 1.00 0.00 O ATOM 0 H ASP A 120 12.309 18.209 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 120 13.632 17.032 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.044 19.144 -4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.419 19.988 -3.410 1.00 0.00 H new