USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 641 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 79 ASN :FLIP amide:sc= 0.368 F(o=0.27,f=0.83) USER MOD Set 1.2: A 82 SER OG : rot 101:sc= 0.462 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.825 K(o=1.8,f=-2.4!) USER MOD Set 2.2: A 76 SER OG : rot 104:sc= 0.949 USER MOD Single : A 34 TYR OH : rot 54:sc= 1.37 USER MOD Single : A 35 HIS : no HE2:sc= 0.103 K(o=0.1,f=-4.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 GLN : amide:sc= -0.0574 K(o=-0.057,f=-1.5) USER MOD Single : A 47 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.2) USER MOD Single : A 48 MET CE :methyl 168:sc= 0 (180deg=-0.131) USER MOD Single : A 50 MET CE :methyl -175:sc= -0.146 (180deg=-0.166) USER MOD Single : A 54 ASN : amide:sc= 0.973 K(o=0.97,f=-0.47) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.0166 (180deg=-0.237) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0554) USER MOD Single : A 65 GLN : amide:sc= 0.967 K(o=0.97,f=-0.028) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.176 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -149:sc= 0.55 USER MOD Single : A 84 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.61) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 90 MET CE :methyl -173:sc= -0.499 (180deg=-0.611) USER MOD Single : A 91 ASN : amide:sc=-0.00748 K(o=-0.0075,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 97 MET CE :methyl -164:sc= -0.0268 (180deg=-0.343) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0285) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc=-0.00216 (180deg=-0.114) USER MOD Single : A 103 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.19) USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= -0.0452 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.506 10.590 -28.989 1.00 0.00 N ATOM 345 CA GLU A 24 11.226 10.459 -29.672 1.00 0.00 C ATOM 346 C GLU A 24 11.004 11.559 -30.702 1.00 0.00 C ATOM 347 O GLU A 24 11.610 12.630 -30.633 1.00 0.00 O ATOM 348 CB GLU A 24 10.094 10.486 -28.650 1.00 0.00 C ATOM 349 CG GLU A 24 10.240 9.377 -27.609 1.00 0.00 C ATOM 350 CD GLU A 24 9.038 9.306 -26.672 1.00 0.00 C ATOM 351 OE1 GLU A 24 9.006 8.349 -25.865 1.00 0.00 O ATOM 352 OE2 GLU A 24 8.162 10.198 -26.759 1.00 0.00 O ATOM 0 HA GLU A 24 11.237 9.507 -30.203 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.080 11.454 -28.150 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.139 10.378 -29.164 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.361 8.419 -28.115 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.145 9.546 -27.025 1.00 0.00 H new ATOM 359 N GLY A 25 10.118 11.279 -31.661 1.00 0.00 N ATOM 360 CA GLY A 25 9.687 12.234 -32.665 1.00 0.00 C ATOM 361 C GLY A 25 8.432 12.982 -32.212 1.00 0.00 C ATOM 362 O GLY A 25 8.183 13.110 -31.013 1.00 0.00 O ATOM 0 H GLY A 25 9.677 10.364 -31.757 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.488 12.947 -32.861 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.486 11.715 -33.602 1.00 0.00 H new ATOM 366 N PRO A 26 7.631 13.481 -33.163 1.00 0.00 N ATOM 367 CA PRO A 26 6.392 14.186 -32.889 1.00 0.00 C ATOM 368 C PRO A 26 5.321 13.216 -32.390 1.00 0.00 C ATOM 369 O PRO A 26 5.524 12.002 -32.370 1.00 0.00 O ATOM 370 CB PRO A 26 5.992 14.811 -34.227 1.00 0.00 C ATOM 371 CG PRO A 26 6.542 13.813 -35.236 1.00 0.00 C ATOM 372 CD PRO A 26 7.858 13.381 -34.593 1.00 0.00 C ATOM 0 HA PRO A 26 6.507 14.939 -32.109 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.911 14.923 -34.315 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.427 15.802 -34.358 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.866 12.970 -35.382 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.699 14.269 -36.213 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.122 12.363 -34.880 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.680 14.024 -34.908 1.00 0.00 H new ATOM 380 N GLU A 27 4.169 13.751 -31.986 1.00 0.00 N ATOM 381 CA GLU A 27 3.066 12.926 -31.515 1.00 0.00 C ATOM 382 C GLU A 27 2.578 11.995 -32.625 1.00 0.00 C ATOM 383 O GLU A 27 2.488 12.395 -33.788 1.00 0.00 O ATOM 384 CB GLU A 27 1.944 13.831 -30.994 1.00 0.00 C ATOM 385 CG GLU A 27 0.732 13.018 -30.530 1.00 0.00 C ATOM 386 CD GLU A 27 -0.373 13.904 -29.952 1.00 0.00 C ATOM 387 OE1 GLU A 27 -1.436 13.338 -29.617 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.157 15.132 -29.846 1.00 0.00 O ATOM 0 H GLU A 27 3.979 14.753 -31.977 1.00 0.00 H new ATOM 0 HA GLU A 27 3.405 12.293 -30.695 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.317 14.434 -30.166 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.640 14.523 -31.780 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.336 12.448 -31.371 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.048 12.296 -29.777 1.00 0.00 H new ATOM 395 N GLY A 28 2.263 10.749 -32.259 1.00 0.00 N ATOM 396 CA GLY A 28 1.748 9.757 -33.191 1.00 0.00 C ATOM 397 C GLY A 28 2.858 9.042 -33.962 1.00 0.00 C ATOM 398 O GLY A 28 2.570 8.130 -34.737 1.00 0.00 O ATOM 0 H GLY A 28 2.360 10.405 -31.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.159 9.021 -32.644 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.075 10.243 -33.897 1.00 0.00 H new ATOM 402 N ALA A 29 4.118 9.445 -33.759 1.00 0.00 N ATOM 403 CA ALA A 29 5.256 8.853 -34.446 1.00 0.00 C ATOM 404 C ALA A 29 5.920 7.733 -33.638 1.00 0.00 C ATOM 405 O ALA A 29 6.884 7.127 -34.108 1.00 0.00 O ATOM 406 CB ALA A 29 6.252 9.960 -34.778 1.00 0.00 C ATOM 0 H ALA A 29 4.370 10.192 -33.112 1.00 0.00 H new ATOM 0 HA ALA A 29 4.900 8.382 -35.362 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.112 9.533 -35.294 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.774 10.699 -35.421 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.583 10.440 -33.857 1.00 0.00 H new ATOM 412 N ASN A 30 5.423 7.456 -32.432 1.00 0.00 N ATOM 413 CA ASN A 30 5.997 6.441 -31.558 1.00 0.00 C ATOM 414 C ASN A 30 5.307 5.095 -31.772 1.00 0.00 C ATOM 415 O ASN A 30 4.136 5.058 -32.143 1.00 0.00 O ATOM 416 CB ASN A 30 5.886 6.907 -30.111 1.00 0.00 C ATOM 417 CG ASN A 30 6.673 8.189 -29.899 1.00 0.00 C ATOM 418 OD1 ASN A 30 7.897 8.183 -29.963 1.00 0.00 O ATOM 419 ND2 ASN A 30 5.981 9.296 -29.646 1.00 0.00 N ATOM 0 H ASN A 30 4.611 7.931 -32.037 1.00 0.00 H new ATOM 0 HA ASN A 30 7.051 6.302 -31.798 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.839 7.070 -29.855 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.260 6.130 -29.444 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.469 10.179 -29.497 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.963 9.262 -29.601 1.00 0.00 H new ATOM 426 N LEU A 31 6.025 3.995 -31.536 1.00 0.00 N ATOM 427 CA LEU A 31 5.502 2.663 -31.787 1.00 0.00 C ATOM 428 C LEU A 31 5.939 1.639 -30.744 1.00 0.00 C ATOM 429 O LEU A 31 6.993 1.756 -30.119 1.00 0.00 O ATOM 430 CB LEU A 31 5.974 2.218 -33.174 1.00 0.00 C ATOM 431 CG LEU A 31 4.822 1.804 -34.087 1.00 0.00 C ATOM 432 CD1 LEU A 31 3.840 2.954 -34.284 1.00 0.00 C ATOM 433 CD2 LEU A 31 5.412 1.440 -35.445 1.00 0.00 C ATOM 0 H LEU A 31 6.976 4.008 -31.169 1.00 0.00 H new ATOM 0 HA LEU A 31 4.415 2.714 -31.731 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.528 3.031 -33.642 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.665 1.382 -33.067 1.00 0.00 H new ATOM 0 HG LEU A 31 4.291 0.965 -33.637 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.030 2.632 -34.938 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.431 3.252 -33.319 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.357 3.800 -34.736 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.611 1.139 -36.121 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.931 2.304 -35.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.116 0.616 -35.327 1.00 0.00 H new ATOM 445 N PHE A 32 5.089 0.627 -30.583 1.00 0.00 N ATOM 446 CA PHE A 32 5.277 -0.531 -29.729 1.00 0.00 C ATOM 447 C PHE A 32 5.232 -1.860 -30.450 1.00 0.00 C ATOM 448 O PHE A 32 4.482 -2.004 -31.411 1.00 0.00 O ATOM 449 CB PHE A 32 4.344 -0.519 -28.520 1.00 0.00 C ATOM 450 CG PHE A 32 4.901 0.233 -27.341 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.245 -0.477 -26.186 1.00 0.00 C ATOM 452 CD2 PHE A 32 5.088 1.618 -27.405 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.775 0.198 -25.084 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.646 2.293 -26.309 1.00 0.00 C ATOM 455 CZ PHE A 32 5.981 1.584 -25.147 1.00 0.00 C ATOM 0 H PHE A 32 4.198 0.597 -31.078 1.00 0.00 H new ATOM 0 HA PHE A 32 6.300 -0.434 -29.366 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.393 -0.073 -28.809 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.136 -1.546 -28.221 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.101 -1.547 -26.146 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.805 2.164 -28.293 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.026 -0.346 -24.185 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.817 3.358 -26.360 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.398 2.106 -24.299 1.00 0.00 H new ATOM 465 N ILE A 33 6.024 -2.823 -29.986 1.00 0.00 N ATOM 466 CA ILE A 33 6.101 -4.141 -30.586 1.00 0.00 C ATOM 467 C ILE A 33 6.145 -5.172 -29.467 1.00 0.00 C ATOM 468 O ILE A 33 6.901 -5.005 -28.515 1.00 0.00 O ATOM 469 CB ILE A 33 7.340 -4.246 -31.487 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.512 -3.082 -32.475 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.255 -5.553 -32.278 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.211 -1.863 -31.871 1.00 0.00 C ATOM 0 H ILE A 33 6.633 -2.704 -29.176 1.00 0.00 H new ATOM 0 HA ILE A 33 5.228 -4.323 -31.213 1.00 0.00 H new ATOM 0 HB ILE A 33 8.206 -4.213 -30.826 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.084 -3.429 -33.336 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.531 -2.782 -32.844 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.128 -5.645 -32.924 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.225 -6.395 -31.587 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.351 -5.551 -32.887 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.297 -1.082 -32.626 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.629 -1.490 -31.028 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.206 -2.147 -31.528 1.00 0.00 H new ATOM 484 N TYR A 34 5.347 -6.236 -29.573 1.00 0.00 N ATOM 485 CA TYR A 34 5.278 -7.263 -28.539 1.00 0.00 C ATOM 486 C TYR A 34 5.257 -8.619 -29.243 1.00 0.00 C ATOM 487 O TYR A 34 5.241 -8.704 -30.471 1.00 0.00 O ATOM 488 CB TYR A 34 3.981 -7.092 -27.745 1.00 0.00 C ATOM 489 CG TYR A 34 3.607 -5.672 -27.370 1.00 0.00 C ATOM 490 CD1 TYR A 34 4.175 -5.060 -26.243 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.670 -4.971 -28.144 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.801 -3.756 -25.880 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.271 -3.678 -27.775 1.00 0.00 C ATOM 494 CZ TYR A 34 2.835 -3.066 -26.636 1.00 0.00 C ATOM 495 OH TYR A 34 2.444 -1.812 -26.272 1.00 0.00 O ATOM 0 H TYR A 34 4.736 -6.407 -30.372 1.00 0.00 H new ATOM 0 HA TYR A 34 6.127 -7.188 -27.860 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.164 -7.519 -28.327 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.060 -7.678 -26.830 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.904 -5.594 -25.651 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.254 -5.430 -29.029 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.254 -3.283 -25.021 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.533 -3.152 -28.362 1.00 0.00 H new ATOM 0 HH TYR A 34 3.233 -1.238 -26.178 1.00 0.00 H new ATOM 505 N HIS A 35 5.254 -9.688 -28.435 1.00 0.00 N ATOM 506 CA HIS A 35 5.265 -11.081 -28.870 1.00 0.00 C ATOM 507 C HIS A 35 6.566 -11.456 -29.588 1.00 0.00 C ATOM 508 O HIS A 35 6.616 -12.482 -30.269 1.00 0.00 O ATOM 509 CB HIS A 35 4.032 -11.410 -29.722 1.00 0.00 C ATOM 510 CG HIS A 35 2.692 -10.973 -29.182 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.485 -11.156 -29.831 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.424 -10.337 -28.000 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.509 -10.643 -29.062 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.059 -10.134 -27.945 1.00 0.00 N ATOM 0 H HIS A 35 5.243 -9.596 -27.419 1.00 0.00 H new ATOM 0 HA HIS A 35 5.218 -11.695 -27.971 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.167 -10.955 -30.703 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.002 -12.489 -29.872 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.357 -11.604 -30.738 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.145 -10.048 -27.250 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.544 -10.640 -29.302 1.00 0.00 H new ATOM 523 N LEU A 36 7.617 -10.641 -29.448 1.00 0.00 N ATOM 524 CA LEU A 36 8.901 -10.895 -30.087 1.00 0.00 C ATOM 525 C LEU A 36 9.593 -12.095 -29.441 1.00 0.00 C ATOM 526 O LEU A 36 9.519 -12.260 -28.226 1.00 0.00 O ATOM 527 CB LEU A 36 9.801 -9.661 -29.942 1.00 0.00 C ATOM 528 CG LEU A 36 9.256 -8.436 -30.679 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.075 -7.206 -30.292 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.378 -8.622 -32.193 1.00 0.00 C ATOM 0 H LEU A 36 7.596 -9.789 -28.888 1.00 0.00 H new ATOM 0 HA LEU A 36 8.727 -11.109 -31.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.914 -9.422 -28.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.795 -9.896 -30.323 1.00 0.00 H new ATOM 0 HG LEU A 36 8.209 -8.310 -30.405 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.688 -6.332 -30.816 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.004 -7.045 -29.216 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.118 -7.362 -30.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.985 -7.741 -32.701 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.426 -8.758 -32.460 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.809 -9.500 -32.499 1.00 0.00 H new ATOM 542 N PRO A 37 10.273 -12.938 -30.229 1.00 0.00 N ATOM 543 CA PRO A 37 11.099 -14.011 -29.704 1.00 0.00 C ATOM 544 C PRO A 37 12.370 -13.426 -29.088 1.00 0.00 C ATOM 545 O PRO A 37 12.708 -12.268 -29.329 1.00 0.00 O ATOM 546 CB PRO A 37 11.400 -14.906 -30.908 1.00 0.00 C ATOM 547 CG PRO A 37 11.383 -13.920 -32.073 1.00 0.00 C ATOM 548 CD PRO A 37 10.306 -12.912 -31.674 1.00 0.00 C ATOM 0 HA PRO A 37 10.611 -14.581 -28.913 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.366 -15.402 -30.812 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.650 -15.688 -31.029 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.352 -13.440 -32.206 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.141 -14.415 -33.014 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.545 -11.915 -32.044 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.338 -13.184 -32.094 1.00 0.00 H new ATOM 556 N GLN A 38 13.077 -14.226 -28.288 1.00 0.00 N ATOM 557 CA GLN A 38 14.237 -13.751 -27.543 1.00 0.00 C ATOM 558 C GLN A 38 15.444 -13.470 -28.438 1.00 0.00 C ATOM 559 O GLN A 38 16.439 -12.927 -27.962 1.00 0.00 O ATOM 560 CB GLN A 38 14.605 -14.767 -26.463 1.00 0.00 C ATOM 561 CG GLN A 38 13.527 -14.820 -25.377 1.00 0.00 C ATOM 562 CD GLN A 38 13.957 -15.678 -24.194 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.773 -16.588 -24.333 1.00 0.00 O ATOM 564 NE2 GLN A 38 13.415 -15.400 -23.010 1.00 0.00 N ATOM 0 H GLN A 38 12.862 -15.212 -28.141 1.00 0.00 H new ATOM 0 HA GLN A 38 13.961 -12.801 -27.085 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.725 -15.753 -26.911 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.563 -14.500 -26.018 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.308 -13.809 -25.032 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.605 -15.219 -25.799 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.741 -14.640 -22.924 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.674 -15.947 -22.189 1.00 0.00 H new ATOM 573 N GLU A 39 15.377 -13.832 -29.722 1.00 0.00 N ATOM 574 CA GLU A 39 16.469 -13.574 -30.657 1.00 0.00 C ATOM 575 C GLU A 39 16.496 -12.108 -31.109 1.00 0.00 C ATOM 576 O GLU A 39 17.469 -11.687 -31.737 1.00 0.00 O ATOM 577 CB GLU A 39 16.356 -14.532 -31.848 1.00 0.00 C ATOM 578 CG GLU A 39 15.010 -14.386 -32.564 1.00 0.00 C ATOM 579 CD GLU A 39 14.872 -15.357 -33.737 1.00 0.00 C ATOM 580 OE1 GLU A 39 15.859 -16.063 -34.039 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.771 -15.387 -34.326 1.00 0.00 O ATOM 0 H GLU A 39 14.574 -14.306 -30.136 1.00 0.00 H new ATOM 0 HA GLU A 39 17.416 -13.755 -30.149 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.166 -14.336 -32.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.475 -15.559 -31.502 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.202 -14.560 -31.854 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.902 -13.364 -32.926 1.00 0.00 H new ATOM 588 N PHE A 40 15.454 -11.328 -30.804 1.00 0.00 N ATOM 589 CA PHE A 40 15.440 -9.897 -31.070 1.00 0.00 C ATOM 590 C PHE A 40 16.333 -9.061 -30.157 1.00 0.00 C ATOM 591 O PHE A 40 16.682 -9.487 -29.055 1.00 0.00 O ATOM 592 CB PHE A 40 14.020 -9.330 -31.192 1.00 0.00 C ATOM 593 CG PHE A 40 13.345 -9.576 -32.526 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.878 -8.492 -33.289 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.171 -10.882 -32.999 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.228 -8.717 -34.512 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.529 -11.108 -34.224 1.00 0.00 C ATOM 598 CZ PHE A 40 12.055 -10.028 -34.980 1.00 0.00 C ATOM 0 H PHE A 40 14.601 -11.676 -30.367 1.00 0.00 H new ATOM 0 HA PHE A 40 15.904 -9.805 -32.052 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.403 -9.763 -30.404 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.057 -8.255 -31.013 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.020 -7.482 -32.933 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.533 -11.718 -32.418 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.862 -7.883 -35.092 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.399 -12.117 -34.586 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.557 -10.205 -35.922 1.00 0.00 H new ATOM 608 N GLY A 41 16.704 -7.869 -30.615 1.00 0.00 N ATOM 609 CA GLY A 41 17.525 -6.940 -29.861 1.00 0.00 C ATOM 610 C GLY A 41 17.321 -5.525 -30.378 1.00 0.00 C ATOM 611 O GLY A 41 16.604 -5.319 -31.356 1.00 0.00 O ATOM 0 H GLY A 41 16.436 -7.520 -31.535 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.267 -6.990 -28.803 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.575 -7.219 -29.946 1.00 0.00 H new ATOM 615 N ASP A 42 17.948 -4.538 -29.730 1.00 0.00 N ATOM 616 CA ASP A 42 17.781 -3.140 -30.104 1.00 0.00 C ATOM 617 C ASP A 42 18.134 -2.831 -31.558 1.00 0.00 C ATOM 618 O ASP A 42 17.418 -2.083 -32.222 1.00 0.00 O ATOM 619 CB ASP A 42 18.539 -2.218 -29.142 1.00 0.00 C ATOM 620 CG ASP A 42 19.973 -2.660 -28.825 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.470 -3.602 -29.482 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.566 -2.037 -27.916 1.00 0.00 O ATOM 0 H ASP A 42 18.577 -4.688 -28.941 1.00 0.00 H new ATOM 0 HA ASP A 42 16.713 -2.942 -30.018 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.569 -1.216 -29.569 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.980 -2.151 -28.209 1.00 0.00 H new ATOM 627 N GLN A 43 19.231 -3.406 -32.048 1.00 0.00 N ATOM 628 CA GLN A 43 19.646 -3.253 -33.438 1.00 0.00 C ATOM 629 C GLN A 43 18.830 -4.135 -34.366 1.00 0.00 C ATOM 630 O GLN A 43 18.655 -3.803 -35.535 1.00 0.00 O ATOM 631 CB GLN A 43 21.124 -3.618 -33.564 1.00 0.00 C ATOM 632 CG GLN A 43 21.985 -2.560 -32.880 1.00 0.00 C ATOM 633 CD GLN A 43 22.054 -1.261 -33.676 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.715 -1.219 -34.856 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.499 -0.183 -33.039 1.00 0.00 N ATOM 0 H GLN A 43 19.855 -3.990 -31.492 1.00 0.00 H new ATOM 0 HA GLN A 43 19.483 -2.215 -33.729 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.306 -4.593 -33.113 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.399 -3.697 -34.616 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.583 -2.354 -31.888 1.00 0.00 H new ATOM 0 HG3 GLN A 43 22.993 -2.951 -32.740 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.774 -0.247 -32.059 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.566 0.708 -33.530 1.00 0.00 H new ATOM 644 N ASP A 44 18.322 -5.260 -33.860 1.00 0.00 N ATOM 645 CA ASP A 44 17.552 -6.166 -34.683 1.00 0.00 C ATOM 646 C ASP A 44 16.129 -5.698 -34.968 1.00 0.00 C ATOM 647 O ASP A 44 15.621 -5.889 -36.072 1.00 0.00 O ATOM 648 CB ASP A 44 17.588 -7.587 -34.119 1.00 0.00 C ATOM 649 CG ASP A 44 18.945 -8.266 -34.310 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.847 -7.631 -34.901 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.069 -9.425 -33.860 1.00 0.00 O ATOM 0 H ASP A 44 18.434 -5.556 -32.890 1.00 0.00 H new ATOM 0 HA ASP A 44 18.041 -6.171 -35.657 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.348 -7.557 -33.056 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.816 -8.185 -34.603 1.00 0.00 H new ATOM 656 N ILE A 45 15.487 -5.083 -33.969 1.00 0.00 N ATOM 657 CA ILE A 45 14.163 -4.506 -34.146 1.00 0.00 C ATOM 658 C ILE A 45 14.305 -3.199 -34.924 1.00 0.00 C ATOM 659 O ILE A 45 13.368 -2.769 -35.592 1.00 0.00 O ATOM 660 CB ILE A 45 13.514 -4.271 -32.776 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.010 -4.036 -32.950 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.153 -3.094 -32.037 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.315 -4.008 -31.589 1.00 0.00 C ATOM 0 H ILE A 45 15.870 -4.975 -33.030 1.00 0.00 H new ATOM 0 HA ILE A 45 13.520 -5.185 -34.706 1.00 0.00 H new ATOM 0 HB ILE A 45 13.677 -5.162 -32.170 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.840 -3.094 -33.472 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.581 -4.825 -33.568 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.664 -2.962 -31.072 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.213 -3.294 -31.882 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.037 -2.186 -32.629 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.247 -3.840 -31.729 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.469 -4.961 -31.082 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.732 -3.203 -30.984 1.00 0.00 H new ATOM 675 N LEU A 46 15.478 -2.561 -34.842 1.00 0.00 N ATOM 676 CA LEU A 46 15.751 -1.352 -35.595 1.00 0.00 C ATOM 677 C LEU A 46 15.791 -1.678 -37.085 1.00 0.00 C ATOM 678 O LEU A 46 15.112 -1.032 -37.879 1.00 0.00 O ATOM 679 CB LEU A 46 17.085 -0.762 -35.123 1.00 0.00 C ATOM 680 CG LEU A 46 17.531 0.435 -35.964 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.582 1.617 -35.808 1.00 0.00 C ATOM 682 CD2 LEU A 46 18.931 0.854 -35.525 1.00 0.00 C ATOM 0 H LEU A 46 16.252 -2.872 -34.255 1.00 0.00 H new ATOM 0 HA LEU A 46 14.964 -0.616 -35.429 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.994 -0.455 -34.081 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.853 -1.534 -35.161 1.00 0.00 H new ATOM 0 HG LEU A 46 17.528 0.137 -37.012 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.932 2.448 -36.420 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.582 1.326 -36.129 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.552 1.924 -34.763 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.258 1.707 -36.119 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.914 1.131 -34.471 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.622 0.024 -35.671 1.00 0.00 H new ATOM 694 N GLN A 47 16.582 -2.682 -37.467 1.00 0.00 N ATOM 695 CA GLN A 47 16.708 -3.084 -38.861 1.00 0.00 C ATOM 696 C GLN A 47 15.397 -3.637 -39.403 1.00 0.00 C ATOM 697 O GLN A 47 15.177 -3.624 -40.613 1.00 0.00 O ATOM 698 CB GLN A 47 17.821 -4.128 -38.982 1.00 0.00 C ATOM 699 CG GLN A 47 19.193 -3.503 -38.711 1.00 0.00 C ATOM 700 CD GLN A 47 19.731 -2.726 -39.910 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.090 -2.629 -40.954 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.926 -2.159 -39.774 1.00 0.00 N ATOM 0 H GLN A 47 17.148 -3.233 -36.821 1.00 0.00 H new ATOM 0 HA GLN A 47 16.960 -2.207 -39.457 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.641 -4.939 -38.277 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.807 -4.565 -39.981 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.121 -2.835 -37.853 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.900 -4.289 -38.445 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.439 -2.254 -38.897 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.330 -1.629 -40.546 1.00 0.00 H new ATOM 711 N MET A 48 14.519 -4.121 -38.521 1.00 0.00 N ATOM 712 CA MET A 48 13.208 -4.603 -38.925 1.00 0.00 C ATOM 713 C MET A 48 12.265 -3.437 -39.218 1.00 0.00 C ATOM 714 O MET A 48 11.345 -3.579 -40.020 1.00 0.00 O ATOM 715 CB MET A 48 12.651 -5.497 -37.814 1.00 0.00 C ATOM 716 CG MET A 48 11.250 -6.011 -38.138 1.00 0.00 C ATOM 717 SD MET A 48 11.174 -7.159 -39.538 1.00 0.00 S ATOM 718 CE MET A 48 11.938 -8.618 -38.782 1.00 0.00 C ATOM 0 H MET A 48 14.699 -4.187 -37.519 1.00 0.00 H new ATOM 0 HA MET A 48 13.298 -5.181 -39.844 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.321 -6.343 -37.660 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.624 -4.938 -36.879 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.846 -6.507 -37.256 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.604 -5.159 -38.348 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.783 -9.484 -39.425 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.007 -8.445 -38.657 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.484 -8.803 -37.809 1.00 0.00 H new ATOM 728 N PHE A 49 12.489 -2.285 -38.569 1.00 0.00 N ATOM 729 CA PHE A 49 11.630 -1.120 -38.713 1.00 0.00 C ATOM 730 C PHE A 49 12.145 0.055 -39.549 1.00 0.00 C ATOM 731 O PHE A 49 11.378 0.963 -39.866 1.00 0.00 O ATOM 732 CB PHE A 49 11.031 -0.703 -37.369 1.00 0.00 C ATOM 733 CG PHE A 49 9.895 -1.585 -36.894 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.585 -1.089 -36.855 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.148 -2.903 -36.484 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.533 -1.907 -36.421 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.096 -3.720 -36.046 1.00 0.00 C ATOM 738 CZ PHE A 49 7.787 -3.223 -36.013 1.00 0.00 C ATOM 0 H PHE A 49 13.273 -2.144 -37.932 1.00 0.00 H new ATOM 0 HA PHE A 49 10.829 -1.478 -39.359 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.819 -0.708 -36.616 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.671 0.323 -37.447 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.385 -0.073 -37.161 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.156 -3.289 -36.506 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.524 -1.522 -36.401 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.295 -4.734 -35.734 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.977 -3.852 -35.674 1.00 0.00 H new ATOM 748 N MET A 50 13.431 0.055 -39.917 1.00 0.00 N ATOM 749 CA MET A 50 13.996 1.126 -40.730 1.00 0.00 C ATOM 750 C MET A 50 13.452 1.206 -42.169 1.00 0.00 C ATOM 751 O MET A 50 13.419 2.311 -42.709 1.00 0.00 O ATOM 752 CB MET A 50 15.523 1.035 -40.761 1.00 0.00 C ATOM 753 CG MET A 50 16.135 1.592 -39.473 1.00 0.00 C ATOM 754 SD MET A 50 17.894 2.010 -39.612 1.00 0.00 S ATOM 755 CE MET A 50 18.583 0.367 -39.935 1.00 0.00 C ATOM 0 H MET A 50 14.096 -0.676 -39.663 1.00 0.00 H new ATOM 0 HA MET A 50 13.677 2.045 -40.238 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.826 -0.004 -40.891 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.906 1.589 -41.618 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.583 2.484 -39.177 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.008 0.859 -38.676 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.671 0.427 -39.959 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.275 -0.318 -39.145 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.218 0.002 -40.895 1.00 0.00 H new ATOM 765 N PRO A 51 13.023 0.118 -42.832 1.00 0.00 N ATOM 766 CA PRO A 51 12.502 0.237 -44.187 1.00 0.00 C ATOM 767 C PRO A 51 11.119 0.894 -44.220 1.00 0.00 C ATOM 768 O PRO A 51 10.623 1.225 -45.295 1.00 0.00 O ATOM 769 CB PRO A 51 12.453 -1.197 -44.720 1.00 0.00 C ATOM 770 CG PRO A 51 12.194 -2.016 -43.459 1.00 0.00 C ATOM 771 CD PRO A 51 13.006 -1.270 -42.403 1.00 0.00 C ATOM 0 HA PRO A 51 13.133 0.881 -44.799 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.661 -1.328 -45.457 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.388 -1.482 -45.203 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.134 -2.048 -43.207 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.526 -3.048 -43.571 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.552 -1.370 -41.417 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.017 -1.670 -42.331 1.00 0.00 H new ATOM 779 N PHE A 52 10.489 1.087 -43.057 1.00 0.00 N ATOM 780 CA PHE A 52 9.179 1.718 -42.963 1.00 0.00 C ATOM 781 C PHE A 52 9.296 3.241 -42.885 1.00 0.00 C ATOM 782 O PHE A 52 8.299 3.939 -43.071 1.00 0.00 O ATOM 783 CB PHE A 52 8.461 1.163 -41.738 1.00 0.00 C ATOM 784 CG PHE A 52 8.305 -0.339 -41.748 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.582 -1.072 -40.589 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.896 -1.004 -42.916 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.464 -2.468 -40.596 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.787 -2.402 -42.923 1.00 0.00 C ATOM 789 CZ PHE A 52 8.072 -3.132 -41.763 1.00 0.00 C ATOM 0 H PHE A 52 10.878 0.808 -42.156 1.00 0.00 H new ATOM 0 HA PHE A 52 8.605 1.492 -43.862 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.011 1.455 -40.843 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.474 1.620 -41.669 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.887 -0.561 -39.688 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.666 -0.439 -43.807 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.676 -3.032 -39.700 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.483 -2.915 -43.823 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.989 -4.209 -41.769 1.00 0.00 H new ATOM 799 N GLY A 53 10.499 3.754 -42.615 1.00 0.00 N ATOM 800 CA GLY A 53 10.741 5.184 -42.512 1.00 0.00 C ATOM 801 C GLY A 53 11.947 5.469 -41.627 1.00 0.00 C ATOM 802 O GLY A 53 12.633 4.549 -41.184 1.00 0.00 O ATOM 0 H GLY A 53 11.330 3.183 -42.462 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.907 5.601 -43.505 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.860 5.677 -42.102 1.00 0.00 H new ATOM 806 N ASN A 54 12.215 6.747 -41.361 1.00 0.00 N ATOM 807 CA ASN A 54 13.375 7.139 -40.577 1.00 0.00 C ATOM 808 C ASN A 54 13.114 6.917 -39.092 1.00 0.00 C ATOM 809 O ASN A 54 12.419 7.705 -38.447 1.00 0.00 O ATOM 810 CB ASN A 54 13.717 8.600 -40.866 1.00 0.00 C ATOM 811 CG ASN A 54 14.846 9.099 -39.972 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.763 8.353 -39.633 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.784 10.369 -39.588 1.00 0.00 N ATOM 0 H ASN A 54 11.640 7.527 -41.680 1.00 0.00 H new ATOM 0 HA ASN A 54 14.227 6.521 -40.858 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.006 8.707 -41.912 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.832 9.218 -40.715 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.514 10.757 -38.991 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.007 10.956 -39.891 1.00 0.00 H new ATOM 820 N VAL A 55 13.677 5.834 -38.553 1.00 0.00 N ATOM 821 CA VAL A 55 13.578 5.518 -37.139 1.00 0.00 C ATOM 822 C VAL A 55 14.619 6.335 -36.379 1.00 0.00 C ATOM 823 O VAL A 55 15.811 6.237 -36.671 1.00 0.00 O ATOM 824 CB VAL A 55 13.807 4.017 -36.946 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.834 3.654 -35.464 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.696 3.218 -37.627 1.00 0.00 C ATOM 0 H VAL A 55 14.214 5.154 -39.091 1.00 0.00 H new ATOM 0 HA VAL A 55 12.589 5.768 -36.755 1.00 0.00 H new ATOM 0 HB VAL A 55 14.770 3.770 -37.394 1.00 0.00 H new ATOM 0 HG11 VAL A 55 13.998 2.582 -35.355 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.641 4.197 -34.971 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.882 3.924 -35.006 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.872 2.152 -37.481 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.734 3.489 -37.192 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.688 3.442 -38.694 1.00 0.00 H new ATOM 836 N ILE A 56 14.179 7.135 -35.403 1.00 0.00 N ATOM 837 CA ILE A 56 15.093 7.940 -34.600 1.00 0.00 C ATOM 838 C ILE A 56 15.700 7.090 -33.488 1.00 0.00 C ATOM 839 O ILE A 56 16.844 7.310 -33.091 1.00 0.00 O ATOM 840 CB ILE A 56 14.350 9.145 -34.006 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.637 9.940 -35.106 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.346 10.045 -33.270 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.980 11.207 -34.553 1.00 0.00 C ATOM 0 H ILE A 56 13.196 7.240 -35.153 1.00 0.00 H new ATOM 0 HA ILE A 56 15.897 8.306 -35.238 1.00 0.00 H new ATOM 0 HB ILE A 56 13.598 8.784 -33.305 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.353 10.210 -35.882 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.880 9.313 -35.576 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.820 10.901 -32.848 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.823 9.481 -32.469 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.106 10.395 -33.969 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.485 11.743 -35.363 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.245 10.935 -33.795 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.741 11.847 -34.107 1.00 0.00 H new ATOM 855 N SER A 57 14.939 6.116 -32.977 1.00 0.00 N ATOM 856 CA SER A 57 15.380 5.283 -31.867 1.00 0.00 C ATOM 857 C SER A 57 14.666 3.938 -31.884 1.00 0.00 C ATOM 858 O SER A 57 13.543 3.829 -32.372 1.00 0.00 O ATOM 859 CB SER A 57 15.116 6.018 -30.550 1.00 0.00 C ATOM 860 OG SER A 57 15.501 5.229 -29.442 1.00 0.00 O ATOM 0 H SER A 57 14.007 5.889 -33.323 1.00 0.00 H new ATOM 0 HA SER A 57 16.449 5.092 -31.965 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.665 6.959 -30.539 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.057 6.266 -30.474 1.00 0.00 H new ATOM 0 HG SER A 57 15.324 5.721 -28.613 1.00 0.00 H new ATOM 866 N ALA A 58 15.328 2.919 -31.341 1.00 0.00 N ATOM 867 CA ALA A 58 14.816 1.560 -31.289 1.00 0.00 C ATOM 868 C ALA A 58 15.440 0.831 -30.103 1.00 0.00 C ATOM 869 O ALA A 58 16.614 1.038 -29.791 1.00 0.00 O ATOM 870 CB ALA A 58 15.163 0.858 -32.604 1.00 0.00 C ATOM 0 H ALA A 58 16.251 3.021 -30.919 1.00 0.00 H new ATOM 0 HA ALA A 58 13.734 1.561 -31.160 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.785 -0.164 -32.581 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.706 1.395 -33.435 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.245 0.842 -32.734 1.00 0.00 H new ATOM 876 N LYS A 59 14.658 -0.023 -29.438 1.00 0.00 N ATOM 877 CA LYS A 59 15.101 -0.740 -28.248 1.00 0.00 C ATOM 878 C LYS A 59 14.247 -1.976 -28.010 1.00 0.00 C ATOM 879 O LYS A 59 13.040 -1.954 -28.249 1.00 0.00 O ATOM 880 CB LYS A 59 15.047 0.234 -27.060 1.00 0.00 C ATOM 881 CG LYS A 59 15.300 -0.420 -25.699 1.00 0.00 C ATOM 882 CD LYS A 59 14.017 -0.896 -25.006 1.00 0.00 C ATOM 883 CE LYS A 59 13.096 0.267 -24.641 1.00 0.00 C ATOM 884 NZ LYS A 59 13.740 1.196 -23.687 1.00 0.00 N ATOM 0 H LYS A 59 13.699 -0.235 -29.713 1.00 0.00 H new ATOM 0 HA LYS A 59 16.123 -1.095 -28.377 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.786 1.020 -27.216 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.069 0.715 -27.043 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.970 -1.270 -25.831 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.812 0.292 -25.051 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.486 -1.586 -25.661 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.277 -1.449 -24.104 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.818 0.809 -25.545 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.175 -0.121 -24.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.025 1.841 -23.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.178 0.653 -22.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.471 1.748 -24.180 1.00 0.00 H new ATOM 898 N VAL A 60 14.861 -3.060 -27.531 1.00 0.00 N ATOM 899 CA VAL A 60 14.131 -4.229 -27.055 1.00 0.00 C ATOM 900 C VAL A 60 14.300 -4.263 -25.539 1.00 0.00 C ATOM 901 O VAL A 60 15.392 -4.032 -25.026 1.00 0.00 O ATOM 902 CB VAL A 60 14.678 -5.495 -27.716 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.170 -6.756 -27.014 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.226 -5.526 -29.173 1.00 0.00 C ATOM 0 H VAL A 60 15.875 -3.149 -27.464 1.00 0.00 H new ATOM 0 HA VAL A 60 13.073 -4.176 -27.312 1.00 0.00 H new ATOM 0 HB VAL A 60 15.766 -5.477 -27.646 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.578 -7.637 -27.509 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.488 -6.745 -25.972 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.081 -6.785 -27.061 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.611 -6.425 -29.654 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.137 -5.529 -29.216 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.607 -4.646 -29.691 1.00 0.00 H new ATOM 914 N PHE A 61 13.210 -4.551 -24.822 1.00 0.00 N ATOM 915 CA PHE A 61 13.209 -4.556 -23.368 1.00 0.00 C ATOM 916 C PHE A 61 13.961 -5.711 -22.712 1.00 0.00 C ATOM 917 O PHE A 61 13.944 -6.826 -23.230 1.00 0.00 O ATOM 918 CB PHE A 61 11.791 -4.403 -22.827 1.00 0.00 C ATOM 919 CG PHE A 61 11.208 -3.016 -22.976 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.479 -2.030 -22.018 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.380 -2.716 -24.068 1.00 0.00 C ATOM 922 CE1 PHE A 61 10.908 -0.758 -22.145 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.817 -1.440 -24.201 1.00 0.00 C ATOM 924 CZ PHE A 61 10.079 -0.459 -23.236 1.00 0.00 C ATOM 0 H PHE A 61 12.309 -4.786 -25.238 1.00 0.00 H new ATOM 0 HA PHE A 61 13.793 -3.682 -23.079 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.142 -5.113 -23.340 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.788 -4.673 -21.771 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.127 -2.251 -21.183 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.175 -3.473 -24.810 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.107 -0.003 -21.399 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.183 -1.213 -25.045 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.644 0.525 -23.332 1.00 0.00 H new ATOM 934 N ILE A 62 14.614 -5.450 -21.577 1.00 0.00 N ATOM 935 CA ILE A 62 15.414 -6.450 -20.881 1.00 0.00 C ATOM 936 C ILE A 62 15.090 -6.439 -19.389 1.00 0.00 C ATOM 937 O ILE A 62 14.831 -5.379 -18.822 1.00 0.00 O ATOM 938 CB ILE A 62 16.912 -6.191 -21.106 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.301 -6.119 -22.587 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.719 -7.280 -20.397 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.174 -7.463 -23.306 1.00 0.00 C ATOM 0 H ILE A 62 14.601 -4.539 -21.118 1.00 0.00 H new ATOM 0 HA ILE A 62 15.170 -7.433 -21.284 1.00 0.00 H new ATOM 0 HB ILE A 62 17.139 -5.211 -20.687 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.669 -5.385 -23.087 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.329 -5.765 -22.670 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.783 -7.103 -20.552 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.499 -7.259 -19.330 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.450 -8.255 -20.804 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.463 -7.346 -24.350 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.826 -8.194 -22.828 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.142 -7.808 -23.252 1.00 0.00 H new ATOM 953 N ASP A 63 15.102 -7.612 -18.752 1.00 0.00 N ATOM 954 CA ASP A 63 14.865 -7.725 -17.319 1.00 0.00 C ATOM 955 C ASP A 63 16.195 -7.593 -16.573 1.00 0.00 C ATOM 956 O ASP A 63 17.169 -8.254 -16.922 1.00 0.00 O ATOM 957 CB ASP A 63 14.193 -9.075 -17.048 1.00 0.00 C ATOM 958 CG ASP A 63 13.790 -9.266 -15.588 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.183 -10.318 -15.298 1.00 0.00 O ATOM 960 OD2 ASP A 63 14.090 -8.365 -14.775 1.00 0.00 O ATOM 0 H ASP A 63 15.276 -8.504 -19.216 1.00 0.00 H new ATOM 0 HA ASP A 63 14.208 -6.930 -16.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.307 -9.165 -17.677 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.873 -9.876 -17.338 1.00 0.00 H new ATOM 965 N LYS A 64 16.253 -6.744 -15.545 1.00 0.00 N ATOM 966 CA LYS A 64 17.481 -6.546 -14.787 1.00 0.00 C ATOM 967 C LYS A 64 17.740 -7.702 -13.819 1.00 0.00 C ATOM 968 O LYS A 64 18.831 -7.799 -13.258 1.00 0.00 O ATOM 969 CB LYS A 64 17.444 -5.204 -14.041 1.00 0.00 C ATOM 970 CG LYS A 64 16.466 -5.142 -12.858 1.00 0.00 C ATOM 971 CD LYS A 64 14.986 -5.128 -13.254 1.00 0.00 C ATOM 972 CE LYS A 64 14.651 -3.971 -14.198 1.00 0.00 C ATOM 973 NZ LYS A 64 14.902 -2.662 -13.563 1.00 0.00 N ATOM 0 H LYS A 64 15.463 -6.185 -15.222 1.00 0.00 H new ATOM 0 HA LYS A 64 18.308 -6.525 -15.496 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.446 -4.982 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.182 -4.419 -14.750 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.647 -5.999 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.680 -4.248 -12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.731 -6.072 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.372 -5.052 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.249 -4.056 -15.106 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.605 -4.036 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.570 -1.902 -14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.392 -2.612 -12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.922 -2.549 -13.392 1.00 0.00 H new ATOM 987 N GLN A 65 16.748 -8.579 -13.619 1.00 0.00 N ATOM 988 CA GLN A 65 16.851 -9.700 -12.699 1.00 0.00 C ATOM 989 C GLN A 65 17.383 -10.966 -13.367 1.00 0.00 C ATOM 990 O GLN A 65 17.909 -11.847 -12.684 1.00 0.00 O ATOM 991 CB GLN A 65 15.462 -9.996 -12.142 1.00 0.00 C ATOM 992 CG GLN A 65 14.992 -8.853 -11.233 1.00 0.00 C ATOM 993 CD GLN A 65 13.475 -8.806 -11.145 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.905 -8.868 -10.059 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.808 -8.698 -12.289 1.00 0.00 N ATOM 0 H GLN A 65 15.849 -8.523 -14.098 1.00 0.00 H new ATOM 0 HA GLN A 65 17.555 -9.420 -11.915 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.756 -10.130 -12.962 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.480 -10.930 -11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.413 -8.982 -10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.366 -7.903 -11.616 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.315 -8.649 -13.172 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.789 -8.664 -12.284 1.00 0.00 H new ATOM 1004 N THR A 66 17.247 -11.065 -14.692 1.00 0.00 N ATOM 1005 CA THR A 66 17.626 -12.253 -15.450 1.00 0.00 C ATOM 1006 C THR A 66 18.380 -11.967 -16.735 1.00 0.00 C ATOM 1007 O THR A 66 18.962 -12.869 -17.336 1.00 0.00 O ATOM 1008 CB THR A 66 16.428 -13.177 -15.698 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.809 -12.807 -16.907 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.384 -13.098 -14.589 1.00 0.00 C ATOM 0 H THR A 66 16.868 -10.315 -15.270 1.00 0.00 H new ATOM 0 HA THR A 66 18.337 -12.776 -14.810 1.00 0.00 H new ATOM 0 HB THR A 66 16.809 -14.198 -15.731 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.042 -13.394 -17.075 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.559 -13.773 -14.817 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.838 -13.387 -13.641 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.008 -12.077 -14.515 1.00 0.00 H new ATOM 1018 N ASN A 67 18.357 -10.697 -17.147 1.00 0.00 N ATOM 1019 CA ASN A 67 18.985 -10.213 -18.370 1.00 0.00 C ATOM 1020 C ASN A 67 18.414 -10.859 -19.634 1.00 0.00 C ATOM 1021 O ASN A 67 18.956 -10.678 -20.726 1.00 0.00 O ATOM 1022 CB ASN A 67 20.511 -10.319 -18.268 1.00 0.00 C ATOM 1023 CG ASN A 67 21.116 -9.389 -17.222 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.313 -8.510 -16.629 1.00 0.00 O flip ATOM 1025 ND2 ASN A 67 22.308 -9.463 -16.946 1.00 0.00 N flip ATOM 0 H ASN A 67 17.887 -9.960 -16.622 1.00 0.00 H new ATOM 0 HA ASN A 67 18.739 -9.156 -18.472 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.781 -11.347 -18.028 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.949 -10.093 -19.240 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.899 -10.147 -17.418 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.709 -8.840 -16.245 1.00 0.00 H new ATOM 1032 N LEU A 68 17.319 -11.612 -19.502 1.00 0.00 N ATOM 1033 CA LEU A 68 16.623 -12.195 -20.633 1.00 0.00 C ATOM 1034 C LEU A 68 15.726 -11.141 -21.282 1.00 0.00 C ATOM 1035 O LEU A 68 15.353 -10.155 -20.644 1.00 0.00 O ATOM 1036 CB LEU A 68 15.802 -13.404 -20.178 1.00 0.00 C ATOM 1037 CG LEU A 68 16.690 -14.503 -19.583 1.00 0.00 C ATOM 1038 CD1 LEU A 68 15.810 -15.658 -19.109 1.00 0.00 C ATOM 1039 CD2 LEU A 68 17.680 -15.030 -20.621 1.00 0.00 C ATOM 0 H LEU A 68 16.895 -11.831 -18.600 1.00 0.00 H new ATOM 0 HA LEU A 68 17.350 -12.536 -21.370 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.069 -13.087 -19.436 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.245 -13.805 -21.025 1.00 0.00 H new ATOM 0 HG LEU A 68 17.249 -14.080 -18.749 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.437 -16.443 -18.685 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.115 -15.298 -18.350 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.249 -16.058 -19.954 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.297 -15.808 -20.173 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.133 -15.444 -21.468 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.317 -14.214 -20.964 1.00 0.00 H new ATOM 1051 N SER A 69 15.380 -11.350 -22.553 1.00 0.00 N ATOM 1052 CA SER A 69 14.510 -10.434 -23.276 1.00 0.00 C ATOM 1053 C SER A 69 13.089 -10.502 -22.731 1.00 0.00 C ATOM 1054 O SER A 69 12.593 -11.587 -22.430 1.00 0.00 O ATOM 1055 CB SER A 69 14.538 -10.750 -24.770 1.00 0.00 C ATOM 1056 OG SER A 69 13.582 -9.966 -25.446 1.00 0.00 O ATOM 0 H SER A 69 15.693 -12.151 -23.101 1.00 0.00 H new ATOM 0 HA SER A 69 14.876 -9.417 -23.133 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.532 -10.554 -25.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.332 -11.808 -24.930 1.00 0.00 H new ATOM 0 HG SER A 69 13.607 -10.173 -26.404 1.00 0.00 H new ATOM 1062 N LYS A 70 12.435 -9.341 -22.612 1.00 0.00 N ATOM 1063 CA LYS A 70 11.052 -9.273 -22.162 1.00 0.00 C ATOM 1064 C LYS A 70 10.070 -9.571 -23.296 1.00 0.00 C ATOM 1065 O LYS A 70 8.864 -9.410 -23.127 1.00 0.00 O ATOM 1066 CB LYS A 70 10.766 -7.924 -21.503 1.00 0.00 C ATOM 1067 CG LYS A 70 11.564 -7.768 -20.208 1.00 0.00 C ATOM 1068 CD LYS A 70 10.984 -6.598 -19.418 1.00 0.00 C ATOM 1069 CE LYS A 70 11.688 -6.477 -18.067 1.00 0.00 C ATOM 1070 NZ LYS A 70 11.131 -5.358 -17.287 1.00 0.00 N ATOM 0 H LYS A 70 12.850 -8.434 -22.824 1.00 0.00 H new ATOM 0 HA LYS A 70 10.906 -10.050 -21.412 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.021 -7.118 -22.191 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.700 -7.837 -21.291 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.513 -8.684 -19.620 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.616 -7.590 -20.431 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.102 -5.673 -19.983 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.914 -6.745 -19.268 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.577 -7.407 -17.509 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.756 -6.323 -18.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.623 -5.293 -16.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.260 -4.470 -17.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.117 -5.520 -17.124 1.00 0.00 H new ATOM 1084 N CYS A 71 10.585 -10.001 -24.452 1.00 0.00 N ATOM 1085 CA CYS A 71 9.780 -10.366 -25.609 1.00 0.00 C ATOM 1086 C CYS A 71 8.955 -9.216 -26.196 1.00 0.00 C ATOM 1087 O CYS A 71 7.934 -9.460 -26.838 1.00 0.00 O ATOM 1088 CB CYS A 71 8.947 -11.614 -25.304 1.00 0.00 C ATOM 1089 SG CYS A 71 10.060 -13.033 -25.117 1.00 0.00 S ATOM 0 H CYS A 71 11.588 -10.105 -24.607 1.00 0.00 H new ATOM 0 HA CYS A 71 10.476 -10.611 -26.412 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.368 -11.467 -24.392 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.235 -11.797 -26.108 1.00 0.00 H new ATOM 0 HG CYS A 71 9.364 -14.099 -24.856 1.00 0.00 H new ATOM 1095 N PHE A 72 9.375 -7.963 -25.987 1.00 0.00 N ATOM 1096 CA PHE A 72 8.691 -6.829 -26.598 1.00 0.00 C ATOM 1097 C PHE A 72 9.710 -5.684 -26.619 1.00 0.00 C ATOM 1098 O PHE A 72 10.770 -5.766 -25.998 1.00 0.00 O ATOM 1099 CB PHE A 72 7.472 -6.480 -25.741 1.00 0.00 C ATOM 1100 CG PHE A 72 7.679 -5.548 -24.570 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.207 -4.230 -24.653 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.312 -5.990 -23.400 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.338 -3.366 -23.560 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.451 -5.122 -22.307 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.954 -3.814 -22.385 1.00 0.00 C ATOM 0 H PHE A 72 10.176 -7.715 -25.406 1.00 0.00 H new ATOM 0 HA PHE A 72 8.338 -7.036 -27.608 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.720 -6.037 -26.393 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.054 -7.411 -25.358 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.741 -3.881 -25.563 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.693 -6.999 -23.340 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.964 -2.355 -23.623 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.941 -5.461 -21.406 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.046 -3.151 -21.538 1.00 0.00 H new ATOM 1115 N GLY A 73 9.380 -4.609 -27.340 1.00 0.00 N ATOM 1116 CA GLY A 73 10.292 -3.500 -27.567 1.00 0.00 C ATOM 1117 C GLY A 73 9.578 -2.190 -27.894 1.00 0.00 C ATOM 1118 O GLY A 73 8.348 -2.111 -27.911 1.00 0.00 O ATOM 0 H GLY A 73 8.468 -4.489 -27.781 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.909 -3.358 -26.680 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.965 -3.754 -28.386 1.00 0.00 H new ATOM 1122 N PHE A 74 10.387 -1.163 -28.156 1.00 0.00 N ATOM 1123 CA PHE A 74 9.971 0.203 -28.442 1.00 0.00 C ATOM 1124 C PHE A 74 10.725 0.858 -29.601 1.00 0.00 C ATOM 1125 O PHE A 74 11.936 0.676 -29.734 1.00 0.00 O ATOM 1126 CB PHE A 74 9.918 1.028 -27.150 1.00 0.00 C ATOM 1127 CG PHE A 74 10.099 2.517 -27.339 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.238 3.149 -26.819 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.142 3.264 -28.043 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.455 4.512 -27.072 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.353 4.627 -28.282 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.516 5.251 -27.808 1.00 0.00 C ATOM 0 H PHE A 74 11.401 -1.271 -28.174 1.00 0.00 H new ATOM 0 HA PHE A 74 8.952 0.165 -28.827 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.959 0.852 -26.663 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.691 0.666 -26.472 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.946 2.589 -26.226 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.242 2.787 -28.401 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.347 4.994 -26.699 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.620 5.198 -28.832 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.689 6.298 -28.009 1.00 0.00 H new ATOM 1142 N VAL A 75 10.015 1.621 -30.439 1.00 0.00 N ATOM 1143 CA VAL A 75 10.573 2.241 -31.641 1.00 0.00 C ATOM 1144 C VAL A 75 9.925 3.613 -31.846 1.00 0.00 C ATOM 1145 O VAL A 75 8.819 3.850 -31.364 1.00 0.00 O ATOM 1146 CB VAL A 75 10.333 1.311 -32.845 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.801 1.943 -34.156 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.065 -0.024 -32.682 1.00 0.00 C ATOM 0 H VAL A 75 9.026 1.826 -30.298 1.00 0.00 H new ATOM 0 HA VAL A 75 11.648 2.388 -31.536 1.00 0.00 H new ATOM 0 HB VAL A 75 9.256 1.144 -32.880 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.613 1.254 -34.979 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.255 2.871 -34.328 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.868 2.155 -34.097 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.872 -0.653 -33.551 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.136 0.157 -32.596 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.709 -0.527 -31.783 1.00 0.00 H new ATOM 1158 N SER A 76 10.599 4.528 -32.555 1.00 0.00 N ATOM 1159 CA SER A 76 10.070 5.870 -32.792 1.00 0.00 C ATOM 1160 C SER A 76 10.511 6.429 -34.143 1.00 0.00 C ATOM 1161 O SER A 76 11.629 6.174 -34.589 1.00 0.00 O ATOM 1162 CB SER A 76 10.520 6.792 -31.659 1.00 0.00 C ATOM 1163 OG SER A 76 9.995 8.089 -31.852 1.00 0.00 O ATOM 0 H SER A 76 11.514 4.359 -32.974 1.00 0.00 H new ATOM 0 HA SER A 76 8.982 5.811 -32.814 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.185 6.394 -30.701 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.609 6.833 -31.624 1.00 0.00 H new ATOM 0 HG SER A 76 9.245 8.233 -31.238 1.00 0.00 H new ATOM 1169 N TYR A 77 9.625 7.194 -34.791 1.00 0.00 N ATOM 1170 CA TYR A 77 9.847 7.808 -36.094 1.00 0.00 C ATOM 1171 C TYR A 77 9.948 9.330 -36.083 1.00 0.00 C ATOM 1172 O TYR A 77 9.585 9.961 -35.094 1.00 0.00 O ATOM 1173 CB TYR A 77 8.775 7.346 -37.077 1.00 0.00 C ATOM 1174 CG TYR A 77 8.894 5.893 -37.464 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.270 4.915 -36.676 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.615 5.522 -38.607 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.369 3.563 -37.024 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.712 4.172 -38.969 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.089 3.188 -38.173 1.00 0.00 C ATOM 1180 OH TYR A 77 9.181 1.874 -38.510 1.00 0.00 O ATOM 0 H TYR A 77 8.705 7.406 -34.405 1.00 0.00 H new ATOM 0 HA TYR A 77 10.831 7.466 -36.415 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.793 7.516 -36.636 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.831 7.958 -37.977 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.712 5.206 -35.798 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.097 6.278 -39.210 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.894 2.810 -36.412 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.261 3.886 -39.854 1.00 0.00 H new ATOM 0 HH TYR A 77 10.035 1.711 -38.963 1.00 0.00 H new ATOM 1190 N ASP A 78 10.434 9.936 -37.172 1.00 0.00 N ATOM 1191 CA ASP A 78 10.452 11.393 -37.293 1.00 0.00 C ATOM 1192 C ASP A 78 9.109 11.958 -37.755 1.00 0.00 C ATOM 1193 O ASP A 78 8.910 13.172 -37.735 1.00 0.00 O ATOM 1194 CB ASP A 78 11.585 11.875 -38.202 1.00 0.00 C ATOM 1195 CG ASP A 78 11.569 11.254 -39.597 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.427 11.676 -40.401 1.00 0.00 O ATOM 1197 OD2 ASP A 78 10.719 10.375 -39.857 1.00 0.00 O ATOM 0 H ASP A 78 10.818 9.441 -37.977 1.00 0.00 H new ATOM 0 HA ASP A 78 10.638 11.778 -36.290 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.524 12.959 -38.297 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.539 11.650 -37.726 1.00 0.00 H new ATOM 1202 N ASN A 79 8.189 11.082 -38.171 1.00 0.00 N ATOM 1203 CA ASN A 79 6.852 11.470 -38.594 1.00 0.00 C ATOM 1204 C ASN A 79 5.858 10.325 -38.399 1.00 0.00 C ATOM 1205 O ASN A 79 6.244 9.158 -38.475 1.00 0.00 O ATOM 1206 CB ASN A 79 6.864 11.967 -40.045 1.00 0.00 C ATOM 1207 CG ASN A 79 7.692 11.113 -40.998 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.679 9.793 -40.830 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.346 11.645 -41.889 1.00 0.00 N flip ATOM 0 H ASN A 79 8.359 10.077 -38.222 1.00 0.00 H new ATOM 0 HA ASN A 79 6.522 12.296 -37.964 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.838 12.007 -40.411 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.249 12.987 -40.063 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.336 12.660 -41.993 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.900 11.073 -42.526 1.00 0.00 H new ATOM 1216 N PRO A 80 4.583 10.643 -38.152 1.00 0.00 N ATOM 1217 CA PRO A 80 3.558 9.652 -37.870 1.00 0.00 C ATOM 1218 C PRO A 80 3.205 8.827 -39.106 1.00 0.00 C ATOM 1219 O PRO A 80 2.685 7.722 -38.976 1.00 0.00 O ATOM 1220 CB PRO A 80 2.352 10.459 -37.393 1.00 0.00 C ATOM 1221 CG PRO A 80 2.522 11.793 -38.119 1.00 0.00 C ATOM 1222 CD PRO A 80 4.034 11.983 -38.112 1.00 0.00 C ATOM 0 HA PRO A 80 3.897 8.931 -37.126 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.412 9.974 -37.656 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.354 10.586 -36.310 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.122 11.757 -39.132 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.009 12.604 -37.603 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.362 12.569 -38.971 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.360 12.516 -37.219 1.00 0.00 H new ATOM 1230 N VAL A 81 3.479 9.341 -40.305 1.00 0.00 N ATOM 1231 CA VAL A 81 3.131 8.630 -41.525 1.00 0.00 C ATOM 1232 C VAL A 81 3.894 7.313 -41.649 1.00 0.00 C ATOM 1233 O VAL A 81 3.333 6.314 -42.091 1.00 0.00 O ATOM 1234 CB VAL A 81 3.353 9.548 -42.732 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.830 9.854 -42.976 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.778 8.901 -43.987 1.00 0.00 C ATOM 0 H VAL A 81 3.937 10.240 -40.452 1.00 0.00 H new ATOM 0 HA VAL A 81 2.075 8.361 -41.489 1.00 0.00 H new ATOM 0 HB VAL A 81 2.846 10.487 -42.509 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.928 10.508 -43.843 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.249 10.348 -42.099 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.369 8.924 -43.160 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.939 9.558 -44.842 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.274 7.947 -44.165 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.709 8.735 -43.853 1.00 0.00 H new ATOM 1246 N SER A 82 5.170 7.310 -41.254 1.00 0.00 N ATOM 1247 CA SER A 82 5.984 6.106 -41.273 1.00 0.00 C ATOM 1248 C SER A 82 5.616 5.188 -40.112 1.00 0.00 C ATOM 1249 O SER A 82 5.804 3.977 -40.196 1.00 0.00 O ATOM 1250 CB SER A 82 7.453 6.488 -41.162 1.00 0.00 C ATOM 1251 OG SER A 82 7.849 7.243 -42.289 1.00 0.00 O ATOM 0 H SER A 82 5.659 8.139 -40.916 1.00 0.00 H new ATOM 0 HA SER A 82 5.803 5.578 -42.209 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.618 7.066 -40.252 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.065 5.589 -41.084 1.00 0.00 H new ATOM 0 HG SER A 82 7.872 8.194 -42.054 1.00 0.00 H new ATOM 1257 N ALA A 83 5.085 5.761 -39.027 1.00 0.00 N ATOM 1258 CA ALA A 83 4.729 4.991 -37.851 1.00 0.00 C ATOM 1259 C ALA A 83 3.483 4.153 -38.116 1.00 0.00 C ATOM 1260 O ALA A 83 3.482 2.951 -37.863 1.00 0.00 O ATOM 1261 CB ALA A 83 4.494 5.942 -36.683 1.00 0.00 C ATOM 0 H ALA A 83 4.895 6.760 -38.948 1.00 0.00 H new ATOM 0 HA ALA A 83 5.545 4.311 -37.605 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.226 5.369 -35.795 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.404 6.510 -36.487 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.684 6.628 -36.930 1.00 0.00 H new ATOM 1267 N GLN A 84 2.418 4.780 -38.628 1.00 0.00 N ATOM 1268 CA GLN A 84 1.168 4.076 -38.868 1.00 0.00 C ATOM 1269 C GLN A 84 1.331 3.056 -39.997 1.00 0.00 C ATOM 1270 O GLN A 84 0.634 2.040 -40.018 1.00 0.00 O ATOM 1271 CB GLN A 84 0.063 5.088 -39.188 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.101 6.127 -38.069 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.261 5.488 -36.695 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -0.978 4.505 -36.536 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.405 6.041 -35.686 1.00 0.00 N ATOM 0 H GLN A 84 2.403 5.768 -38.881 1.00 0.00 H new ATOM 0 HA GLN A 84 0.887 3.527 -37.970 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.295 5.596 -40.124 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.880 4.562 -39.336 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.767 6.786 -38.060 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.971 6.749 -38.280 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.993 6.858 -35.850 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.328 5.648 -34.748 1.00 0.00 H new ATOM 1284 N ALA A 85 2.247 3.311 -40.936 1.00 0.00 N ATOM 1285 CA ALA A 85 2.549 2.344 -41.978 1.00 0.00 C ATOM 1286 C ALA A 85 3.233 1.126 -41.366 1.00 0.00 C ATOM 1287 O ALA A 85 2.935 -0.006 -41.742 1.00 0.00 O ATOM 1288 CB ALA A 85 3.480 2.981 -43.008 1.00 0.00 C ATOM 0 H ALA A 85 2.786 4.175 -40.990 1.00 0.00 H new ATOM 0 HA ALA A 85 1.623 2.035 -42.462 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.707 2.257 -43.790 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.994 3.851 -43.449 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.404 3.291 -42.521 1.00 0.00 H new ATOM 1294 N ALA A 86 4.147 1.358 -40.422 1.00 0.00 N ATOM 1295 CA ALA A 86 4.865 0.281 -39.768 1.00 0.00 C ATOM 1296 C ALA A 86 3.939 -0.578 -38.903 1.00 0.00 C ATOM 1297 O ALA A 86 4.238 -1.749 -38.678 1.00 0.00 O ATOM 1298 CB ALA A 86 5.997 0.872 -38.931 1.00 0.00 C ATOM 0 H ALA A 86 4.403 2.290 -40.097 1.00 0.00 H new ATOM 0 HA ALA A 86 5.279 -0.376 -40.533 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.542 0.068 -38.436 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.677 1.426 -39.578 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.582 1.545 -38.180 1.00 0.00 H new ATOM 1304 N ILE A 87 2.821 -0.026 -38.411 1.00 0.00 N ATOM 1305 CA ILE A 87 1.868 -0.833 -37.659 1.00 0.00 C ATOM 1306 C ILE A 87 1.230 -1.848 -38.595 1.00 0.00 C ATOM 1307 O ILE A 87 1.207 -3.038 -38.294 1.00 0.00 O ATOM 1308 CB ILE A 87 0.791 0.034 -36.996 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.434 1.013 -36.004 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.212 -0.879 -36.284 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.421 1.651 -35.046 1.00 0.00 C ATOM 0 H ILE A 87 2.563 0.955 -38.520 1.00 0.00 H new ATOM 0 HA ILE A 87 2.402 -1.349 -36.861 1.00 0.00 H new ATOM 0 HB ILE A 87 0.270 0.619 -37.754 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.192 0.487 -35.424 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.946 1.800 -36.559 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.983 -0.272 -35.809 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.674 -1.549 -37.010 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.306 -1.467 -35.526 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.938 2.332 -34.371 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.324 2.204 -35.619 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.073 0.871 -34.466 1.00 0.00 H new ATOM 1323 N GLN A 88 0.712 -1.382 -39.733 1.00 0.00 N ATOM 1324 CA GLN A 88 0.064 -2.257 -40.695 1.00 0.00 C ATOM 1325 C GLN A 88 1.072 -3.180 -41.377 1.00 0.00 C ATOM 1326 O GLN A 88 0.675 -4.129 -42.050 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.671 -1.402 -41.728 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.747 -0.540 -41.062 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.481 0.343 -42.066 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.244 0.275 -43.271 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.390 1.186 -41.580 1.00 0.00 N ATOM 0 H GLN A 88 0.732 -0.399 -40.006 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.649 -2.893 -40.170 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.041 -0.762 -42.249 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.129 -2.046 -42.479 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.465 -1.185 -40.555 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.287 0.087 -40.298 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.567 1.222 -40.576 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.909 1.796 -42.212 1.00 0.00 H new ATOM 1340 N ALA A 89 2.372 -2.911 -41.206 1.00 0.00 N ATOM 1341 CA ALA A 89 3.420 -3.702 -41.828 1.00 0.00 C ATOM 1342 C ALA A 89 3.919 -4.836 -40.930 1.00 0.00 C ATOM 1343 O ALA A 89 4.375 -5.856 -41.444 1.00 0.00 O ATOM 1344 CB ALA A 89 4.574 -2.770 -42.176 1.00 0.00 C ATOM 0 H ALA A 89 2.717 -2.141 -40.634 1.00 0.00 H new ATOM 0 HA ALA A 89 3.009 -4.173 -42.721 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.375 -3.342 -42.645 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.225 -2.001 -42.865 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.949 -2.300 -41.267 1.00 0.00 H new ATOM 1350 N MET A 90 3.841 -4.676 -39.601 1.00 0.00 N ATOM 1351 CA MET A 90 4.360 -5.679 -38.674 1.00 0.00 C ATOM 1352 C MET A 90 3.300 -6.249 -37.733 1.00 0.00 C ATOM 1353 O MET A 90 3.533 -7.286 -37.117 1.00 0.00 O ATOM 1354 CB MET A 90 5.536 -5.096 -37.892 1.00 0.00 C ATOM 1355 CG MET A 90 6.766 -4.954 -38.790 1.00 0.00 C ATOM 1356 SD MET A 90 7.426 -6.511 -39.451 1.00 0.00 S ATOM 1357 CE MET A 90 7.880 -7.349 -37.910 1.00 0.00 C ATOM 0 H MET A 90 3.424 -3.862 -39.150 1.00 0.00 H new ATOM 0 HA MET A 90 4.700 -6.524 -39.274 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.262 -4.122 -37.486 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.771 -5.740 -37.045 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.512 -4.302 -39.626 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.553 -4.456 -38.224 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.416 -8.270 -38.141 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.519 -6.696 -37.316 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.978 -7.586 -37.345 1.00 0.00 H new ATOM 1367 N ASN A 91 2.142 -5.597 -37.607 1.00 0.00 N ATOM 1368 CA ASN A 91 1.062 -6.133 -36.794 1.00 0.00 C ATOM 1369 C ASN A 91 0.533 -7.395 -37.470 1.00 0.00 C ATOM 1370 O ASN A 91 0.355 -7.429 -38.687 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.044 -5.083 -36.636 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.103 -5.486 -35.621 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.901 -6.391 -34.816 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.244 -4.809 -35.651 1.00 0.00 N ATOM 0 H ASN A 91 1.934 -4.705 -38.056 1.00 0.00 H new ATOM 0 HA ASN A 91 1.423 -6.384 -35.797 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.402 -4.136 -36.332 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.519 -4.915 -37.602 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.988 -5.035 -34.991 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.377 -4.063 -36.334 1.00 0.00 H new ATOM 1381 N GLY A 92 0.280 -8.438 -36.677 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.213 -9.711 -37.176 1.00 0.00 C ATOM 1383 C GLY A 92 0.875 -10.546 -37.857 1.00 0.00 C ATOM 1384 O GLY A 92 0.572 -11.622 -38.367 1.00 0.00 O ATOM 0 H GLY A 92 0.414 -8.417 -35.666 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.636 -10.280 -36.349 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.021 -9.529 -37.884 1.00 0.00 H new ATOM 1388 N PHE A 93 2.128 -10.075 -37.877 1.00 0.00 N ATOM 1389 CA PHE A 93 3.223 -10.800 -38.507 1.00 0.00 C ATOM 1390 C PHE A 93 3.482 -12.114 -37.776 1.00 0.00 C ATOM 1391 O PHE A 93 3.843 -12.096 -36.599 1.00 0.00 O ATOM 1392 CB PHE A 93 4.474 -9.919 -38.529 1.00 0.00 C ATOM 1393 CG PHE A 93 5.706 -10.577 -39.109 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.547 -11.360 -38.299 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.019 -10.393 -40.462 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.695 -11.952 -38.844 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.169 -10.982 -41.005 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.008 -11.760 -40.197 1.00 0.00 C ATOM 0 H PHE A 93 2.404 -9.187 -37.458 1.00 0.00 H new ATOM 0 HA PHE A 93 2.953 -11.043 -39.535 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.256 -9.018 -39.103 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.695 -9.602 -37.510 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.308 -11.506 -37.256 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.373 -9.796 -41.088 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.338 -12.556 -38.221 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.409 -10.836 -42.048 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.895 -12.212 -40.616 1.00 0.00 H new ATOM 1408 N GLN A 94 3.306 -13.255 -38.448 1.00 0.00 N ATOM 1409 CA GLN A 94 3.486 -14.533 -37.785 1.00 0.00 C ATOM 1410 C GLN A 94 4.962 -14.848 -37.572 1.00 0.00 C ATOM 1411 O GLN A 94 5.766 -14.776 -38.502 1.00 0.00 O ATOM 1412 CB GLN A 94 2.791 -15.659 -38.558 1.00 0.00 C ATOM 1413 CG GLN A 94 3.043 -16.980 -37.826 1.00 0.00 C ATOM 1414 CD GLN A 94 2.178 -18.124 -38.339 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.441 -17.986 -39.314 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.265 -19.276 -37.677 1.00 0.00 N ATOM 0 H GLN A 94 3.044 -13.313 -39.432 1.00 0.00 H new ATOM 0 HA GLN A 94 3.019 -14.461 -36.803 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.721 -15.464 -38.630 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.175 -15.712 -39.577 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.093 -17.252 -37.931 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.855 -16.840 -36.762 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.887 -19.356 -36.872 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.710 -20.078 -37.975 1.00 0.00 H new ATOM 1425 N ILE A 95 5.306 -15.201 -36.332 1.00 0.00 N ATOM 1426 CA ILE A 95 6.640 -15.644 -35.967 1.00 0.00 C ATOM 1427 C ILE A 95 6.492 -16.680 -34.855 1.00 0.00 C ATOM 1428 O ILE A 95 5.889 -16.404 -33.816 1.00 0.00 O ATOM 1429 CB ILE A 95 7.484 -14.423 -35.571 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.947 -14.828 -35.394 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.960 -13.741 -34.305 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.835 -13.585 -35.311 1.00 0.00 C ATOM 0 H ILE A 95 4.653 -15.185 -35.548 1.00 0.00 H new ATOM 0 HA ILE A 95 7.166 -16.119 -36.795 1.00 0.00 H new ATOM 0 HB ILE A 95 7.407 -13.697 -36.381 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.059 -15.425 -34.489 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.262 -15.453 -36.229 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.590 -12.884 -34.066 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.936 -13.404 -34.470 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.980 -14.448 -33.476 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.874 -13.888 -35.185 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.735 -13.004 -36.228 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.529 -12.976 -34.461 1.00 0.00 H new ATOM 1444 N GLY A 96 7.037 -17.881 -35.061 1.00 0.00 N ATOM 1445 CA GLY A 96 6.849 -18.963 -34.108 1.00 0.00 C ATOM 1446 C GLY A 96 5.363 -19.298 -33.976 1.00 0.00 C ATOM 1447 O GLY A 96 4.610 -19.228 -34.949 1.00 0.00 O ATOM 0 H GLY A 96 7.606 -18.122 -35.873 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.400 -19.845 -34.434 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.252 -18.676 -33.137 1.00 0.00 H new ATOM 1451 N MET A 97 4.940 -19.664 -32.762 1.00 0.00 N ATOM 1452 CA MET A 97 3.564 -20.038 -32.457 1.00 0.00 C ATOM 1453 C MET A 97 2.666 -18.827 -32.182 1.00 0.00 C ATOM 1454 O MET A 97 1.557 -18.996 -31.680 1.00 0.00 O ATOM 1455 CB MET A 97 3.549 -21.008 -31.275 1.00 0.00 C ATOM 1456 CG MET A 97 4.330 -22.281 -31.611 1.00 0.00 C ATOM 1457 SD MET A 97 4.386 -23.496 -30.270 1.00 0.00 S ATOM 1458 CE MET A 97 5.384 -22.578 -29.070 1.00 0.00 C ATOM 0 H MET A 97 5.559 -19.708 -31.952 1.00 0.00 H new ATOM 0 HA MET A 97 3.151 -20.527 -33.339 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.985 -20.528 -30.399 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.520 -21.263 -31.020 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.883 -22.747 -32.489 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.350 -22.007 -31.880 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.759 -23.262 -28.309 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.224 -22.107 -29.580 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.770 -21.811 -28.598 1.00 0.00 H new ATOM 1468 N LYS A 98 3.126 -17.611 -32.500 1.00 0.00 N ATOM 1469 CA LYS A 98 2.379 -16.382 -32.250 1.00 0.00 C ATOM 1470 C LYS A 98 2.481 -15.403 -33.417 1.00 0.00 C ATOM 1471 O LYS A 98 3.229 -15.626 -34.369 1.00 0.00 O ATOM 1472 CB LYS A 98 2.879 -15.710 -30.963 1.00 0.00 C ATOM 1473 CG LYS A 98 2.486 -16.478 -29.701 1.00 0.00 C ATOM 1474 CD LYS A 98 2.875 -15.645 -28.475 1.00 0.00 C ATOM 1475 CE LYS A 98 2.372 -16.265 -27.172 1.00 0.00 C ATOM 1476 NZ LYS A 98 2.950 -17.606 -26.946 1.00 0.00 N ATOM 0 H LYS A 98 4.033 -17.456 -32.940 1.00 0.00 H new ATOM 0 HA LYS A 98 1.330 -16.657 -32.137 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.964 -15.619 -31.004 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.477 -14.699 -30.907 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.414 -16.676 -29.698 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.989 -17.445 -29.675 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.960 -15.547 -28.434 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.468 -14.639 -28.577 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.627 -15.613 -26.337 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.285 -16.337 -27.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.639 -17.967 -26.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.630 -18.253 -27.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.988 -17.544 -26.962 1.00 0.00 H new ATOM 1490 N ARG A 99 1.720 -14.309 -33.337 1.00 0.00 N ATOM 1491 CA ARG A 99 1.787 -13.204 -34.282 1.00 0.00 C ATOM 1492 C ARG A 99 2.167 -11.934 -33.535 1.00 0.00 C ATOM 1493 O ARG A 99 1.645 -11.687 -32.454 1.00 0.00 O ATOM 1494 CB ARG A 99 0.449 -13.037 -35.000 1.00 0.00 C ATOM 1495 CG ARG A 99 0.116 -14.252 -35.867 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.213 -14.023 -36.580 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.509 -15.126 -37.502 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.218 -15.128 -38.805 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.599 -14.094 -39.374 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.544 -16.175 -39.557 1.00 0.00 N ATOM 0 H ARG A 99 1.030 -14.169 -32.599 1.00 0.00 H new ATOM 0 HA ARG A 99 2.545 -13.412 -35.037 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.342 -12.887 -34.265 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.479 -12.143 -35.623 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.908 -14.418 -36.597 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.059 -15.148 -35.249 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.013 -13.933 -35.846 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.178 -13.083 -37.131 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.971 -15.951 -37.119 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.339 -13.283 -38.812 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.385 -14.114 -40.371 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.016 -16.976 -39.138 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.322 -16.177 -40.553 1.00 0.00 H new ATOM 1514 N LEU A 100 3.067 -11.128 -34.099 1.00 0.00 N ATOM 1515 CA LEU A 100 3.521 -9.896 -33.467 1.00 0.00 C ATOM 1516 C LEU A 100 2.385 -8.892 -33.321 1.00 0.00 C ATOM 1517 O LEU A 100 1.607 -8.685 -34.251 1.00 0.00 O ATOM 1518 CB LEU A 100 4.661 -9.279 -34.282 1.00 0.00 C ATOM 1519 CG LEU A 100 5.881 -10.200 -34.365 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.952 -9.520 -35.209 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.436 -10.480 -32.969 1.00 0.00 C ATOM 0 H LEU A 100 3.499 -11.313 -35.004 1.00 0.00 H new ATOM 0 HA LEU A 100 3.880 -10.145 -32.468 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.306 -9.058 -35.289 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.954 -8.331 -33.832 1.00 0.00 H new ATOM 0 HG LEU A 100 5.586 -11.147 -34.818 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.827 -10.166 -35.276 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.562 -9.332 -36.209 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.234 -8.574 -34.746 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.303 -11.136 -33.047 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.732 -9.542 -32.500 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.669 -10.962 -32.363 1.00 0.00 H new ATOM 1533 N LYS A 101 2.299 -8.268 -32.143 1.00 0.00 N ATOM 1534 CA LYS A 101 1.364 -7.185 -31.886 1.00 0.00 C ATOM 1535 C LYS A 101 2.111 -5.863 -32.011 1.00 0.00 C ATOM 1536 O LYS A 101 3.246 -5.753 -31.544 1.00 0.00 O ATOM 1537 CB LYS A 101 0.746 -7.374 -30.500 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.127 -6.187 -30.083 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.501 -6.309 -28.604 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.430 -7.494 -28.333 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.758 -7.295 -28.951 1.00 0.00 N ATOM 0 H LYS A 101 2.882 -8.506 -31.341 1.00 0.00 H new ATOM 0 HA LYS A 101 0.549 -7.184 -32.610 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.145 -8.283 -30.494 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.541 -7.512 -29.767 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.408 -5.253 -30.256 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.029 -6.156 -30.694 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.407 -6.419 -28.010 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.986 -5.389 -28.277 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.980 -8.407 -28.723 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.545 -7.629 -27.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.413 -8.028 -28.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.124 -6.357 -28.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.673 -7.360 -29.985 1.00 0.00 H new ATOM 1555 N VAL A 102 1.484 -4.863 -32.634 1.00 0.00 N ATOM 1556 CA VAL A 102 2.070 -3.536 -32.770 1.00 0.00 C ATOM 1557 C VAL A 102 1.042 -2.469 -32.415 1.00 0.00 C ATOM 1558 O VAL A 102 -0.123 -2.596 -32.790 1.00 0.00 O ATOM 1559 CB VAL A 102 2.634 -3.340 -34.184 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.327 -1.985 -34.329 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.633 -4.442 -34.545 1.00 0.00 C ATOM 0 H VAL A 102 0.560 -4.954 -33.056 1.00 0.00 H new ATOM 0 HA VAL A 102 2.902 -3.439 -32.072 1.00 0.00 H new ATOM 0 HB VAL A 102 1.783 -3.384 -34.864 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.714 -1.881 -35.343 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.611 -1.187 -34.130 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.150 -1.919 -33.618 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.013 -4.273 -35.553 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.462 -4.428 -33.837 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.136 -5.411 -34.503 1.00 0.00 H new ATOM 1571 N GLN A 103 1.458 -1.420 -31.696 1.00 0.00 N ATOM 1572 CA GLN A 103 0.533 -0.381 -31.270 1.00 0.00 C ATOM 1573 C GLN A 103 1.251 0.951 -31.049 1.00 0.00 C ATOM 1574 O GLN A 103 2.472 0.987 -30.933 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.134 -0.874 -29.982 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.274 0.035 -29.522 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.360 0.205 -30.583 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -2.900 1.293 -30.750 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -2.690 -0.859 -31.310 1.00 0.00 N ATOM 0 H GLN A 103 2.424 -1.275 -31.402 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.214 -0.197 -32.042 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.519 -1.881 -30.140 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.614 -0.939 -29.192 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.719 -0.377 -28.616 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.870 1.013 -29.262 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.223 -1.752 -31.149 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.410 -0.782 -32.029 1.00 0.00 H new ATOM 1588 N LEU A 104 0.499 2.055 -30.986 1.00 0.00 N ATOM 1589 CA LEU A 104 1.037 3.371 -30.665 1.00 0.00 C ATOM 1590 C LEU A 104 1.371 3.463 -29.168 1.00 0.00 C ATOM 1591 O LEU A 104 0.779 2.760 -28.351 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.006 4.426 -31.050 1.00 0.00 C ATOM 1593 CG LEU A 104 0.587 5.533 -31.929 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.549 6.378 -32.506 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.503 6.452 -31.124 1.00 0.00 C ATOM 0 H LEU A 104 -0.506 2.055 -31.158 1.00 0.00 H new ATOM 0 HA LEU A 104 1.958 3.542 -31.222 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.828 3.945 -31.580 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.425 4.868 -30.146 1.00 0.00 H new ATOM 0 HG LEU A 104 1.167 5.060 -32.721 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.133 7.167 -33.132 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.204 5.746 -33.106 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.121 6.824 -31.692 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.907 7.226 -31.777 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.935 6.917 -30.318 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.322 5.870 -30.701 1.00 0.00 H new ATOM 1607 N LYS A 105 2.320 4.336 -28.806 1.00 0.00 N ATOM 1608 CA LYS A 105 2.674 4.610 -27.416 1.00 0.00 C ATOM 1609 C LYS A 105 1.527 5.331 -26.710 1.00 0.00 C ATOM 1610 O LYS A 105 0.715 5.985 -27.366 1.00 0.00 O ATOM 1611 CB LYS A 105 3.958 5.447 -27.386 1.00 0.00 C ATOM 1612 CG LYS A 105 4.425 5.753 -25.960 1.00 0.00 C ATOM 1613 CD LYS A 105 5.719 6.572 -25.957 1.00 0.00 C ATOM 1614 CE LYS A 105 5.495 7.984 -26.500 1.00 0.00 C ATOM 1615 NZ LYS A 105 4.568 8.754 -25.647 1.00 0.00 N ATOM 0 H LYS A 105 2.866 4.874 -29.479 1.00 0.00 H new ATOM 0 HA LYS A 105 2.849 3.674 -26.886 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.747 4.915 -27.917 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.790 6.383 -27.919 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.645 6.300 -25.430 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.583 4.820 -25.419 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.111 6.630 -24.941 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.472 6.065 -26.560 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.450 8.506 -26.564 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.095 7.926 -27.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.645 9.766 -25.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.593 8.434 -25.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.812 8.606 -24.647 1.00 0.00 H new