USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 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= 0.524 F(o=0.48,f=1.1) USER MOD Set 1.2: A 82 SER OG : rot 102:sc= 0.581 USER MOD Set 2.1: A 48 MET CE :methyl -179:sc= -0.114 (180deg=-0.0718) USER MOD Set 2.2: A 90 MET CE :methyl 168:sc= -0.559 (180deg=-1.03) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.115 X(o=-1.6,f=-1.6) USER MOD Set 3.2: A 47 GLN : amide:sc= -1.52! X(o=-1.6!,f=-1.6) USER MOD Single : A 30 ASN : amide:sc=-0.00579 X(o=-0.0058,f=-0.34) USER MOD Single : A 34 TYR OH : rot -119:sc= 1.3 USER MOD Single : A 35 HIS : no HE2:sc= -1.01 K(o=-1,f=-7!) USER MOD Single : A 38 GLN : amide:sc= 0.555 K(o=0.56,f=0) USER MOD Single : A 50 MET CE :methyl -179:sc= -0.157 (180deg=-0.16) USER MOD Single : A 54 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.52) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.0302 (180deg=-0.479) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0616 F(o=-0.61,f=-0.062) USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.0811 USER MOD Single : A 67 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.2) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 76 SER OG : rot 36:sc= 0.5 USER MOD Single : A 77 TYR OH : rot 29:sc= 0.588 USER MOD Single : A 84 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.72) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 91 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-1.5) USER MOD Single : A 94 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.4!) USER MOD Single : A 97 MET CE :methyl 166:sc= -0.0189 (180deg=-0.279) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= -0.0302 (180deg=-0.214) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.603 10.349 -29.281 1.00 0.00 N ATOM 345 CA GLU A 24 11.289 10.293 -29.902 1.00 0.00 C ATOM 346 C GLU A 24 11.079 11.448 -30.879 1.00 0.00 C ATOM 347 O GLU A 24 11.709 12.499 -30.768 1.00 0.00 O ATOM 348 CB GLU A 24 10.198 10.325 -28.830 1.00 0.00 C ATOM 349 CG GLU A 24 10.312 9.151 -27.861 1.00 0.00 C ATOM 350 CD GLU A 24 9.053 8.994 -27.007 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.977 7.976 -26.282 1.00 0.00 O ATOM 352 OE2 GLU A 24 8.173 9.879 -27.078 1.00 0.00 O ATOM 0 HA GLU A 24 11.229 9.359 -30.461 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.263 11.261 -28.275 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.219 10.306 -29.309 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.488 8.233 -28.422 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.175 9.298 -27.212 1.00 0.00 H new ATOM 359 N GLY A 25 10.181 11.230 -31.840 1.00 0.00 N ATOM 360 CA GLY A 25 9.804 12.230 -32.830 1.00 0.00 C ATOM 361 C GLY A 25 8.585 13.032 -32.366 1.00 0.00 C ATOM 362 O GLY A 25 8.363 13.182 -31.165 1.00 0.00 O ATOM 0 H GLY A 25 9.691 10.342 -31.951 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.641 12.905 -33.007 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.582 11.741 -33.779 1.00 0.00 H new ATOM 366 N PRO A 26 7.791 13.552 -33.313 1.00 0.00 N ATOM 367 CA PRO A 26 6.580 14.310 -33.026 1.00 0.00 C ATOM 368 C PRO A 26 5.481 13.405 -32.471 1.00 0.00 C ATOM 369 O PRO A 26 5.662 12.196 -32.324 1.00 0.00 O ATOM 370 CB PRO A 26 6.175 14.917 -34.372 1.00 0.00 C ATOM 371 CG PRO A 26 6.687 13.889 -35.377 1.00 0.00 C ATOM 372 CD PRO A 26 7.996 13.432 -34.744 1.00 0.00 C ATOM 0 HA PRO A 26 6.743 15.074 -32.266 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.096 15.052 -34.446 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.630 15.895 -34.527 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.988 13.063 -35.504 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.844 14.328 -36.362 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.230 12.405 -35.023 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.830 14.051 -35.075 1.00 0.00 H new ATOM 380 N GLU A 27 4.321 13.991 -32.153 1.00 0.00 N ATOM 381 CA GLU A 27 3.205 13.255 -31.586 1.00 0.00 C ATOM 382 C GLU A 27 2.733 12.141 -32.522 1.00 0.00 C ATOM 383 O GLU A 27 2.605 12.346 -33.728 1.00 0.00 O ATOM 384 CB GLU A 27 2.075 14.234 -31.258 1.00 0.00 C ATOM 385 CG GLU A 27 0.826 13.517 -30.745 1.00 0.00 C ATOM 386 CD GLU A 27 -0.297 14.496 -30.394 1.00 0.00 C ATOM 387 OE1 GLU A 27 -1.402 14.004 -30.071 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.051 15.721 -30.451 1.00 0.00 O ATOM 0 H GLU A 27 4.138 14.986 -32.284 1.00 0.00 H new ATOM 0 HA GLU A 27 3.530 12.767 -30.667 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.419 14.946 -30.507 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.823 14.808 -32.149 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.473 12.818 -31.503 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.082 12.929 -29.864 1.00 0.00 H new ATOM 395 N GLY A 28 2.475 10.958 -31.954 1.00 0.00 N ATOM 396 CA GLY A 28 1.957 9.809 -32.688 1.00 0.00 C ATOM 397 C GLY A 28 3.034 9.098 -33.506 1.00 0.00 C ATOM 398 O GLY A 28 2.751 8.095 -34.161 1.00 0.00 O ATOM 0 H GLY A 28 2.623 10.774 -30.962 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.515 9.103 -31.985 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.159 10.138 -33.354 1.00 0.00 H new ATOM 402 N ALA A 29 4.272 9.604 -33.476 1.00 0.00 N ATOM 403 CA ALA A 29 5.385 9.035 -34.224 1.00 0.00 C ATOM 404 C ALA A 29 6.154 7.996 -33.406 1.00 0.00 C ATOM 405 O ALA A 29 7.383 7.945 -33.462 1.00 0.00 O ATOM 406 CB ALA A 29 6.293 10.162 -34.711 1.00 0.00 C ATOM 0 H ALA A 29 4.525 10.425 -32.927 1.00 0.00 H new ATOM 0 HA ALA A 29 4.990 8.502 -35.089 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.127 9.740 -35.271 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.726 10.834 -35.355 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.675 10.717 -33.854 1.00 0.00 H new ATOM 412 N ASN A 30 5.452 7.163 -32.637 1.00 0.00 N ATOM 413 CA ASN A 30 6.093 6.158 -31.797 1.00 0.00 C ATOM 414 C ASN A 30 5.275 4.872 -31.730 1.00 0.00 C ATOM 415 O ASN A 30 4.052 4.923 -31.652 1.00 0.00 O ATOM 416 CB ASN A 30 6.389 6.728 -30.407 1.00 0.00 C ATOM 417 CG ASN A 30 5.392 7.801 -29.987 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.186 7.616 -30.087 1.00 0.00 O ATOM 419 ND2 ASN A 30 5.896 8.937 -29.511 1.00 0.00 N ATOM 0 H ASN A 30 4.434 7.167 -32.581 1.00 0.00 H new ATOM 0 HA ASN A 30 7.046 5.892 -32.254 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.375 5.919 -29.677 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.395 7.149 -30.398 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.272 9.688 -29.216 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.907 9.057 -29.442 1.00 0.00 H new ATOM 426 N LEU A 31 5.953 3.720 -31.763 1.00 0.00 N ATOM 427 CA LEU A 31 5.302 2.424 -31.858 1.00 0.00 C ATOM 428 C LEU A 31 5.772 1.439 -30.797 1.00 0.00 C ATOM 429 O LEU A 31 6.891 1.516 -30.286 1.00 0.00 O ATOM 430 CB LEU A 31 5.563 1.785 -33.225 1.00 0.00 C ATOM 431 CG LEU A 31 5.134 2.632 -34.421 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.360 1.799 -35.678 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.651 2.985 -34.347 1.00 0.00 C ATOM 0 H LEU A 31 6.971 3.668 -31.724 1.00 0.00 H new ATOM 0 HA LEU A 31 4.241 2.622 -31.709 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.628 1.571 -33.313 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.041 0.829 -33.269 1.00 0.00 H new ATOM 0 HG LEU A 31 5.711 3.557 -34.429 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.063 2.375 -36.554 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.415 1.537 -35.756 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.763 0.888 -35.623 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.377 3.588 -35.213 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.059 2.070 -34.340 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.456 3.549 -33.435 1.00 0.00 H new ATOM 445 N PHE A 32 4.879 0.502 -30.489 1.00 0.00 N ATOM 446 CA PHE A 32 5.127 -0.655 -29.660 1.00 0.00 C ATOM 447 C PHE A 32 5.111 -1.974 -30.413 1.00 0.00 C ATOM 448 O PHE A 32 4.359 -2.117 -31.373 1.00 0.00 O ATOM 449 CB PHE A 32 4.220 -0.680 -28.436 1.00 0.00 C ATOM 450 CG PHE A 32 4.685 0.188 -27.294 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.100 -0.414 -26.097 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.694 1.584 -27.424 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.523 0.384 -25.025 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.143 2.378 -26.362 1.00 0.00 C ATOM 455 CZ PHE A 32 5.553 1.777 -25.162 1.00 0.00 C ATOM 0 H PHE A 32 3.919 0.539 -30.832 1.00 0.00 H new ATOM 0 HA PHE A 32 6.153 -0.544 -29.309 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.221 -0.362 -28.734 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.136 -1.708 -28.083 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.094 -1.490 -26.002 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.356 2.045 -28.340 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.825 -0.075 -24.095 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.174 3.453 -26.466 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.893 2.391 -24.341 1.00 0.00 H new ATOM 465 N ILE A 33 5.933 -2.931 -29.980 1.00 0.00 N ATOM 466 CA ILE A 33 6.023 -4.229 -30.624 1.00 0.00 C ATOM 467 C ILE A 33 6.123 -5.297 -29.539 1.00 0.00 C ATOM 468 O ILE A 33 7.012 -5.218 -28.699 1.00 0.00 O ATOM 469 CB ILE A 33 7.243 -4.277 -31.555 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.339 -3.087 -32.526 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.185 -5.575 -32.368 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.050 -1.870 -31.924 1.00 0.00 C ATOM 0 H ILE A 33 6.550 -2.822 -29.175 1.00 0.00 H new ATOM 0 HA ILE A 33 5.137 -4.410 -31.233 1.00 0.00 H new ATOM 0 HB ILE A 33 8.126 -4.228 -30.918 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.870 -3.402 -33.424 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.335 -2.797 -32.835 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.045 -5.625 -33.035 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.200 -6.429 -31.691 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.268 -5.595 -32.957 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.084 -1.067 -32.660 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.507 -1.531 -31.042 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.066 -2.145 -31.641 1.00 0.00 H new ATOM 484 N TYR A 34 5.229 -6.289 -29.547 1.00 0.00 N ATOM 485 CA TYR A 34 5.188 -7.308 -28.508 1.00 0.00 C ATOM 486 C TYR A 34 5.123 -8.668 -29.201 1.00 0.00 C ATOM 487 O TYR A 34 5.101 -8.755 -30.427 1.00 0.00 O ATOM 488 CB TYR A 34 3.921 -7.116 -27.673 1.00 0.00 C ATOM 489 CG TYR A 34 3.557 -5.690 -27.320 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.737 -4.943 -28.181 1.00 0.00 C ATOM 491 CD2 TYR A 34 4.013 -5.119 -26.123 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.323 -3.653 -27.821 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.621 -3.821 -25.760 1.00 0.00 C ATOM 494 CZ TYR A 34 2.752 -3.097 -26.601 1.00 0.00 C ATOM 495 OH TYR A 34 2.322 -1.856 -26.238 1.00 0.00 O ATOM 0 H TYR A 34 4.520 -6.404 -30.271 1.00 0.00 H new ATOM 0 HA TYR A 34 6.064 -7.241 -27.862 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.085 -7.558 -28.215 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.034 -7.679 -26.747 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.424 -5.364 -29.125 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.670 -5.682 -25.476 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.677 -3.088 -28.477 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.983 -3.380 -24.843 1.00 0.00 H new ATOM 0 HH TYR A 34 3.092 -1.257 -26.146 1.00 0.00 H new ATOM 505 N HIS A 35 5.094 -9.731 -28.389 1.00 0.00 N ATOM 506 CA HIS A 35 5.102 -11.128 -28.823 1.00 0.00 C ATOM 507 C HIS A 35 6.390 -11.500 -29.564 1.00 0.00 C ATOM 508 O HIS A 35 6.438 -12.525 -30.242 1.00 0.00 O ATOM 509 CB HIS A 35 3.848 -11.474 -29.640 1.00 0.00 C ATOM 510 CG HIS A 35 2.525 -11.110 -29.017 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.292 -11.274 -29.616 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.309 -10.576 -27.777 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.345 -10.857 -28.759 1.00 0.00 C ATOM 514 NE2 HIS A 35 0.942 -10.426 -27.634 1.00 0.00 N ATOM 0 H HIS A 35 5.063 -9.636 -27.374 1.00 0.00 H new ATOM 0 HA HIS A 35 5.078 -11.739 -27.921 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.920 -10.975 -30.606 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.851 -12.547 -29.834 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.128 -11.648 -30.551 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.063 -10.320 -27.048 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.719 -10.866 -28.943 1.00 0.00 H new ATOM 523 N LEU A 36 7.439 -10.680 -29.443 1.00 0.00 N ATOM 524 CA LEU A 36 8.724 -10.932 -30.080 1.00 0.00 C ATOM 525 C LEU A 36 9.417 -12.128 -29.424 1.00 0.00 C ATOM 526 O LEU A 36 9.304 -12.316 -28.213 1.00 0.00 O ATOM 527 CB LEU A 36 9.627 -9.703 -29.934 1.00 0.00 C ATOM 528 CG LEU A 36 9.109 -8.487 -30.701 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.920 -7.261 -30.291 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.277 -8.690 -32.204 1.00 0.00 C ATOM 0 H LEU A 36 7.414 -9.819 -28.896 1.00 0.00 H new ATOM 0 HA LEU A 36 8.549 -11.144 -31.135 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.717 -9.448 -28.878 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.628 -9.950 -30.289 1.00 0.00 H new ATOM 0 HG LEU A 36 8.052 -8.352 -30.470 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.558 -6.387 -30.833 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.811 -7.094 -29.219 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.971 -7.425 -30.527 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.903 -7.814 -32.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.333 -8.831 -32.436 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.716 -9.570 -32.517 1.00 0.00 H new ATOM 542 N PRO A 37 10.137 -12.937 -30.209 1.00 0.00 N ATOM 543 CA PRO A 37 10.967 -14.014 -29.699 1.00 0.00 C ATOM 544 C PRO A 37 12.236 -13.423 -29.079 1.00 0.00 C ATOM 545 O PRO A 37 12.583 -12.270 -29.329 1.00 0.00 O ATOM 546 CB PRO A 37 11.267 -14.887 -30.915 1.00 0.00 C ATOM 547 CG PRO A 37 11.286 -13.876 -32.059 1.00 0.00 C ATOM 548 CD PRO A 37 10.213 -12.868 -31.656 1.00 0.00 C ATOM 0 HA PRO A 37 10.488 -14.601 -28.915 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.221 -15.404 -30.816 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.504 -15.651 -31.063 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.263 -13.404 -32.162 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.057 -14.346 -33.015 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.475 -11.863 -31.987 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.254 -13.114 -32.111 1.00 0.00 H new ATOM 556 N GLN A 38 12.942 -14.209 -28.260 1.00 0.00 N ATOM 557 CA GLN A 38 14.105 -13.723 -27.523 1.00 0.00 C ATOM 558 C GLN A 38 15.337 -13.511 -28.402 1.00 0.00 C ATOM 559 O GLN A 38 16.343 -12.993 -27.924 1.00 0.00 O ATOM 560 CB GLN A 38 14.427 -14.682 -26.374 1.00 0.00 C ATOM 561 CG GLN A 38 13.396 -14.540 -25.252 1.00 0.00 C ATOM 562 CD GLN A 38 13.799 -15.347 -24.020 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.094 -16.534 -24.117 1.00 0.00 O ATOM 564 NE2 GLN A 38 13.818 -14.707 -22.855 1.00 0.00 N ATOM 0 H GLN A 38 12.723 -15.191 -28.092 1.00 0.00 H new ATOM 0 HA GLN A 38 13.842 -12.741 -27.129 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.435 -15.708 -26.741 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.425 -14.474 -25.988 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.292 -13.489 -24.982 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.422 -14.876 -25.606 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.567 -13.719 -22.811 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.084 -15.204 -22.005 1.00 0.00 H new ATOM 573 N GLU A 39 15.271 -13.899 -29.677 1.00 0.00 N ATOM 574 CA GLU A 39 16.380 -13.700 -30.605 1.00 0.00 C ATOM 575 C GLU A 39 16.476 -12.236 -31.050 1.00 0.00 C ATOM 576 O GLU A 39 17.461 -11.854 -31.677 1.00 0.00 O ATOM 577 CB GLU A 39 16.232 -14.648 -31.799 1.00 0.00 C ATOM 578 CG GLU A 39 14.898 -14.446 -32.516 1.00 0.00 C ATOM 579 CD GLU A 39 14.731 -15.393 -33.705 1.00 0.00 C ATOM 580 OE1 GLU A 39 15.696 -16.125 -34.019 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.627 -15.380 -34.294 1.00 0.00 O ATOM 0 H GLU A 39 14.457 -14.354 -30.089 1.00 0.00 H new ATOM 0 HA GLU A 39 17.314 -13.935 -30.094 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.051 -14.483 -32.499 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.309 -15.680 -31.457 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.081 -14.603 -31.811 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.826 -13.415 -32.862 1.00 0.00 H new ATOM 588 N PHE A 40 15.469 -11.417 -30.726 1.00 0.00 N ATOM 589 CA PHE A 40 15.492 -9.988 -30.998 1.00 0.00 C ATOM 590 C PHE A 40 16.417 -9.166 -30.100 1.00 0.00 C ATOM 591 O PHE A 40 16.770 -9.594 -29.000 1.00 0.00 O ATOM 592 CB PHE A 40 14.087 -9.386 -31.100 1.00 0.00 C ATOM 593 CG PHE A 40 13.392 -9.607 -32.429 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.934 -8.513 -33.179 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.202 -10.908 -32.918 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.289 -8.717 -34.406 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.561 -11.113 -34.148 1.00 0.00 C ATOM 598 CZ PHE A 40 12.103 -10.017 -34.891 1.00 0.00 C ATOM 0 H PHE A 40 14.615 -11.734 -30.266 1.00 0.00 H new ATOM 0 HA PHE A 40 15.949 -9.916 -31.985 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.468 -9.809 -30.308 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.153 -8.314 -30.915 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.079 -7.509 -32.809 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.551 -11.755 -32.345 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.935 -7.872 -34.977 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.420 -12.116 -34.523 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.607 -10.175 -35.837 1.00 0.00 H new ATOM 608 N GLY A 41 16.808 -7.983 -30.577 1.00 0.00 N ATOM 609 CA GLY A 41 17.653 -7.068 -29.826 1.00 0.00 C ATOM 610 C GLY A 41 17.457 -5.641 -30.326 1.00 0.00 C ATOM 611 O GLY A 41 16.720 -5.416 -31.284 1.00 0.00 O ATOM 0 H GLY A 41 16.544 -7.636 -31.499 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.411 -7.126 -28.765 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.699 -7.358 -29.931 1.00 0.00 H new ATOM 615 N ASP A 42 18.116 -4.674 -29.683 1.00 0.00 N ATOM 616 CA ASP A 42 17.947 -3.264 -30.014 1.00 0.00 C ATOM 617 C ASP A 42 18.265 -2.979 -31.481 1.00 0.00 C ATOM 618 O ASP A 42 17.583 -2.185 -32.126 1.00 0.00 O ATOM 619 CB ASP A 42 18.866 -2.410 -29.134 1.00 0.00 C ATOM 620 CG ASP A 42 18.609 -2.552 -27.632 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.346 -1.897 -26.864 1.00 0.00 O ATOM 622 OD2 ASP A 42 17.684 -3.311 -27.264 1.00 0.00 O ATOM 0 H ASP A 42 18.776 -4.848 -28.925 1.00 0.00 H new ATOM 0 HA ASP A 42 16.902 -3.012 -29.834 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.902 -2.680 -29.341 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.748 -1.363 -29.414 1.00 0.00 H new ATOM 627 N GLN A 43 19.301 -3.636 -32.007 1.00 0.00 N ATOM 628 CA GLN A 43 19.728 -3.440 -33.385 1.00 0.00 C ATOM 629 C GLN A 43 18.839 -4.234 -34.341 1.00 0.00 C ATOM 630 O GLN A 43 18.587 -3.802 -35.462 1.00 0.00 O ATOM 631 CB GLN A 43 21.187 -3.890 -33.507 1.00 0.00 C ATOM 632 CG GLN A 43 21.762 -3.606 -34.897 1.00 0.00 C ATOM 633 CD GLN A 43 21.838 -2.113 -35.207 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.768 -1.275 -34.312 1.00 0.00 O ATOM 635 NE2 GLN A 43 21.982 -1.770 -36.484 1.00 0.00 N ATOM 0 H GLN A 43 19.861 -4.314 -31.490 1.00 0.00 H new ATOM 0 HA GLN A 43 19.642 -2.387 -33.653 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.788 -3.379 -32.755 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.256 -4.958 -33.298 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.759 -4.040 -34.969 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.145 -4.099 -35.649 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.037 -2.492 -37.203 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.038 -0.785 -36.744 1.00 0.00 H new ATOM 644 N ASP A 44 18.358 -5.396 -33.898 1.00 0.00 N ATOM 645 CA ASP A 44 17.520 -6.241 -34.731 1.00 0.00 C ATOM 646 C ASP A 44 16.112 -5.698 -34.952 1.00 0.00 C ATOM 647 O ASP A 44 15.574 -5.814 -36.050 1.00 0.00 O ATOM 648 CB ASP A 44 17.495 -7.676 -34.200 1.00 0.00 C ATOM 649 CG ASP A 44 18.815 -8.416 -34.433 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.750 -7.807 -35.001 1.00 0.00 O ATOM 651 OD2 ASP A 44 18.878 -9.599 -34.034 1.00 0.00 O ATOM 0 H ASP A 44 18.538 -5.769 -32.966 1.00 0.00 H new ATOM 0 HA ASP A 44 17.982 -6.241 -35.718 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.276 -7.660 -33.132 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.686 -8.224 -34.683 1.00 0.00 H new ATOM 656 N ILE A 45 15.514 -5.106 -33.913 1.00 0.00 N ATOM 657 CA ILE A 45 14.195 -4.507 -34.045 1.00 0.00 C ATOM 658 C ILE A 45 14.324 -3.195 -34.820 1.00 0.00 C ATOM 659 O ILE A 45 13.387 -2.780 -35.499 1.00 0.00 O ATOM 660 CB ILE A 45 13.581 -4.289 -32.656 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.084 -3.986 -32.806 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.276 -3.154 -31.898 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.392 -3.961 -31.443 1.00 0.00 C ATOM 0 H ILE A 45 15.923 -5.032 -32.982 1.00 0.00 H new ATOM 0 HA ILE A 45 13.529 -5.170 -34.597 1.00 0.00 H new ATOM 0 HB ILE A 45 13.720 -5.200 -32.074 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.952 -3.025 -33.303 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.618 -4.740 -33.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.811 -3.032 -30.920 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.332 -3.394 -31.771 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.180 -2.227 -32.463 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.332 -3.744 -31.577 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.506 -4.931 -30.959 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.844 -3.190 -30.820 1.00 0.00 H new ATOM 675 N LEU A 46 15.489 -2.543 -34.723 1.00 0.00 N ATOM 676 CA LEU A 46 15.746 -1.320 -35.468 1.00 0.00 C ATOM 677 C LEU A 46 15.786 -1.637 -36.960 1.00 0.00 C ATOM 678 O LEU A 46 15.091 -1.001 -37.745 1.00 0.00 O ATOM 679 CB LEU A 46 17.081 -0.727 -35.007 1.00 0.00 C ATOM 680 CG LEU A 46 17.512 0.468 -35.860 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.576 1.661 -35.685 1.00 0.00 C ATOM 682 CD2 LEU A 46 18.929 0.883 -35.472 1.00 0.00 C ATOM 0 H LEU A 46 16.264 -2.848 -34.134 1.00 0.00 H new ATOM 0 HA LEU A 46 14.954 -0.594 -35.287 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.997 -0.416 -33.966 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.852 -1.497 -35.049 1.00 0.00 H new ATOM 0 HG LEU A 46 17.474 0.161 -36.905 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.919 2.487 -36.308 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.566 1.378 -35.981 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.574 1.972 -34.640 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.238 1.734 -36.079 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.951 1.161 -34.418 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.611 0.050 -35.642 1.00 0.00 H new ATOM 694 N GLN A 47 16.597 -2.624 -37.352 1.00 0.00 N ATOM 695 CA GLN A 47 16.741 -3.012 -38.748 1.00 0.00 C ATOM 696 C GLN A 47 15.436 -3.557 -39.319 1.00 0.00 C ATOM 697 O GLN A 47 15.241 -3.531 -40.535 1.00 0.00 O ATOM 698 CB GLN A 47 17.842 -4.063 -38.866 1.00 0.00 C ATOM 699 CG GLN A 47 19.226 -3.471 -38.579 1.00 0.00 C ATOM 700 CD GLN A 47 19.804 -2.671 -39.743 1.00 0.00 C ATOM 701 OE1 GLN A 47 20.805 -1.982 -39.577 1.00 0.00 O ATOM 702 NE2 GLN A 47 19.199 -2.745 -40.928 1.00 0.00 N ATOM 0 H GLN A 47 17.168 -3.172 -36.709 1.00 0.00 H new ATOM 0 HA GLN A 47 17.006 -2.126 -39.325 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.643 -4.877 -38.169 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.830 -4.491 -39.868 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.161 -2.826 -37.703 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.913 -4.280 -38.329 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.368 -3.325 -41.041 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.567 -2.222 -41.722 1.00 0.00 H new ATOM 711 N MET A 48 14.539 -4.046 -38.458 1.00 0.00 N ATOM 712 CA MET A 48 13.251 -4.557 -38.902 1.00 0.00 C ATOM 713 C MET A 48 12.286 -3.407 -39.194 1.00 0.00 C ATOM 714 O MET A 48 11.371 -3.560 -40.000 1.00 0.00 O ATOM 715 CB MET A 48 12.693 -5.484 -37.820 1.00 0.00 C ATOM 716 CG MET A 48 11.476 -6.259 -38.327 1.00 0.00 C ATOM 717 SD MET A 48 11.868 -7.452 -39.632 1.00 0.00 S ATOM 718 CE MET A 48 10.226 -8.165 -39.897 1.00 0.00 C ATOM 0 H MET A 48 14.687 -4.096 -37.450 1.00 0.00 H new ATOM 0 HA MET A 48 13.376 -5.118 -39.828 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.466 -6.184 -37.503 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.415 -4.898 -36.944 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.017 -6.786 -37.490 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.736 -5.552 -38.703 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.284 -8.938 -40.663 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.865 -8.603 -38.966 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.538 -7.384 -40.221 1.00 0.00 H new ATOM 728 N PHE A 49 12.492 -2.255 -38.543 1.00 0.00 N ATOM 729 CA PHE A 49 11.642 -1.086 -38.708 1.00 0.00 C ATOM 730 C PHE A 49 12.175 0.087 -39.538 1.00 0.00 C ATOM 731 O PHE A 49 11.424 1.005 -39.866 1.00 0.00 O ATOM 732 CB PHE A 49 11.000 -0.672 -37.381 1.00 0.00 C ATOM 733 CG PHE A 49 9.845 -1.554 -36.949 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.529 -1.075 -37.004 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.086 -2.856 -36.493 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.460 -1.896 -36.623 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.017 -3.679 -36.109 1.00 0.00 C ATOM 738 CZ PHE A 49 7.701 -3.201 -36.179 1.00 0.00 C ATOM 0 H PHE A 49 13.259 -2.115 -37.885 1.00 0.00 H new ATOM 0 HA PHE A 49 10.859 -1.441 -39.378 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.762 -0.683 -36.602 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.646 0.355 -37.466 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.338 -0.067 -37.342 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.098 -3.228 -36.437 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.448 -1.521 -36.672 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.208 -4.683 -35.759 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.877 -3.837 -35.892 1.00 0.00 H new ATOM 748 N MET A 50 13.466 0.074 -39.889 1.00 0.00 N ATOM 749 CA MET A 50 14.041 1.130 -40.710 1.00 0.00 C ATOM 750 C MET A 50 13.521 1.191 -42.156 1.00 0.00 C ATOM 751 O MET A 50 13.505 2.286 -42.711 1.00 0.00 O ATOM 752 CB MET A 50 15.571 1.042 -40.715 1.00 0.00 C ATOM 753 CG MET A 50 16.163 1.581 -39.412 1.00 0.00 C ATOM 754 SD MET A 50 17.917 2.030 -39.519 1.00 0.00 S ATOM 755 CE MET A 50 18.634 0.404 -39.835 1.00 0.00 C ATOM 0 H MET A 50 14.125 -0.655 -39.616 1.00 0.00 H new ATOM 0 HA MET A 50 13.711 2.055 -40.237 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.877 0.005 -40.855 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.967 1.608 -41.558 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.594 2.458 -39.103 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.039 0.830 -38.632 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.718 0.493 -39.911 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.382 -0.270 -39.016 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.236 0.006 -40.769 1.00 0.00 H new ATOM 765 N PRO A 51 13.095 0.091 -42.806 1.00 0.00 N ATOM 766 CA PRO A 51 12.590 0.184 -44.170 1.00 0.00 C ATOM 767 C PRO A 51 11.227 0.876 -44.228 1.00 0.00 C ATOM 768 O PRO A 51 10.777 1.252 -45.308 1.00 0.00 O ATOM 769 CB PRO A 51 12.497 -1.258 -44.663 1.00 0.00 C ATOM 770 CG PRO A 51 12.221 -2.038 -43.380 1.00 0.00 C ATOM 771 CD PRO A 51 13.064 -1.290 -42.352 1.00 0.00 C ATOM 0 HA PRO A 51 13.248 0.788 -44.795 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.698 -1.385 -45.393 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.421 -1.582 -45.142 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.162 -2.030 -43.120 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.520 -3.083 -43.468 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.627 -1.366 -41.356 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.070 -1.706 -42.292 1.00 0.00 H new ATOM 779 N PHE A 52 10.571 1.049 -43.078 1.00 0.00 N ATOM 780 CA PHE A 52 9.274 1.703 -43.003 1.00 0.00 C ATOM 781 C PHE A 52 9.375 3.228 -42.934 1.00 0.00 C ATOM 782 O PHE A 52 8.383 3.923 -43.153 1.00 0.00 O ATOM 783 CB PHE A 52 8.493 1.125 -41.830 1.00 0.00 C ATOM 784 CG PHE A 52 8.188 -0.345 -41.988 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.524 -1.243 -40.966 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.581 -0.816 -43.159 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.276 -2.615 -41.123 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.335 -2.186 -43.319 1.00 0.00 C ATOM 789 CZ PHE A 52 7.685 -3.085 -42.301 1.00 0.00 C ATOM 0 H PHE A 52 10.929 0.737 -42.175 1.00 0.00 H new ATOM 0 HA PHE A 52 8.735 1.500 -43.928 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.063 1.275 -40.913 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.558 1.674 -41.718 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.975 -0.878 -40.055 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.302 -0.123 -43.939 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.541 -3.306 -40.337 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.876 -2.550 -44.226 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.498 -4.141 -42.426 1.00 0.00 H new ATOM 799 N GLY A 53 10.571 3.743 -42.632 1.00 0.00 N ATOM 800 CA GLY A 53 10.827 5.174 -42.546 1.00 0.00 C ATOM 801 C GLY A 53 12.015 5.472 -41.635 1.00 0.00 C ATOM 802 O GLY A 53 12.685 4.560 -41.150 1.00 0.00 O ATOM 0 H GLY A 53 11.392 3.169 -42.440 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.022 5.571 -43.542 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.940 5.682 -42.168 1.00 0.00 H new ATOM 806 N ASN A 54 12.283 6.758 -41.397 1.00 0.00 N ATOM 807 CA ASN A 54 13.414 7.173 -40.585 1.00 0.00 C ATOM 808 C ASN A 54 13.132 6.938 -39.104 1.00 0.00 C ATOM 809 O ASN A 54 12.366 7.678 -38.485 1.00 0.00 O ATOM 810 CB ASN A 54 13.720 8.646 -40.855 1.00 0.00 C ATOM 811 CG ASN A 54 14.858 9.142 -39.973 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.782 8.402 -39.652 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.792 10.407 -39.572 1.00 0.00 N ATOM 0 H ASN A 54 11.724 7.530 -41.761 1.00 0.00 H new ATOM 0 HA ASN A 54 14.285 6.575 -40.853 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.985 8.779 -41.904 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.828 9.245 -40.673 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.525 10.792 -38.977 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.008 10.993 -39.859 1.00 0.00 H new ATOM 820 N VAL A 55 13.761 5.905 -38.544 1.00 0.00 N ATOM 821 CA VAL A 55 13.659 5.578 -37.132 1.00 0.00 C ATOM 822 C VAL A 55 14.714 6.366 -36.364 1.00 0.00 C ATOM 823 O VAL A 55 15.894 6.310 -36.706 1.00 0.00 O ATOM 824 CB VAL A 55 13.854 4.071 -36.944 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.847 3.703 -35.462 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.733 3.305 -37.646 1.00 0.00 C ATOM 0 H VAL A 55 14.361 5.268 -39.068 1.00 0.00 H new ATOM 0 HA VAL A 55 12.674 5.846 -36.750 1.00 0.00 H new ATOM 0 HB VAL A 55 14.818 3.801 -37.377 1.00 0.00 H new ATOM 0 HG11 VAL A 55 13.987 2.628 -35.354 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.656 4.227 -34.953 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.893 3.991 -35.020 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.881 2.234 -37.506 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.772 3.597 -37.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.745 3.537 -38.711 1.00 0.00 H new ATOM 836 N ILE A 56 14.297 7.100 -35.329 1.00 0.00 N ATOM 837 CA ILE A 56 15.220 7.898 -34.530 1.00 0.00 C ATOM 838 C ILE A 56 15.780 7.073 -33.373 1.00 0.00 C ATOM 839 O ILE A 56 16.910 7.294 -32.938 1.00 0.00 O ATOM 840 CB ILE A 56 14.506 9.145 -33.992 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.867 9.947 -35.132 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.504 10.021 -33.230 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.091 11.154 -34.607 1.00 0.00 C ATOM 0 H ILE A 56 13.324 7.156 -35.027 1.00 0.00 H new ATOM 0 HA ILE A 56 16.049 8.209 -35.165 1.00 0.00 H new ATOM 0 HB ILE A 56 13.713 8.825 -33.316 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.643 10.284 -35.819 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.196 9.302 -35.700 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.994 10.906 -32.849 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.922 9.456 -32.397 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.307 10.326 -33.901 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.653 11.697 -35.444 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.298 10.815 -33.940 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.767 11.812 -34.062 1.00 0.00 H new ATOM 855 N SER A 57 14.991 6.119 -32.876 1.00 0.00 N ATOM 856 CA SER A 57 15.369 5.302 -31.734 1.00 0.00 C ATOM 857 C SER A 57 14.644 3.964 -31.770 1.00 0.00 C ATOM 858 O SER A 57 13.532 3.864 -32.284 1.00 0.00 O ATOM 859 CB SER A 57 15.043 6.052 -30.445 1.00 0.00 C ATOM 860 OG SER A 57 15.374 5.275 -29.314 1.00 0.00 O ATOM 0 H SER A 57 14.072 5.895 -33.258 1.00 0.00 H new ATOM 0 HA SER A 57 16.440 5.106 -31.774 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.592 6.993 -30.418 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.982 6.301 -30.423 1.00 0.00 H new ATOM 0 HG SER A 57 15.159 5.775 -28.499 1.00 0.00 H new ATOM 866 N ALA A 58 15.285 2.936 -31.214 1.00 0.00 N ATOM 867 CA ALA A 58 14.747 1.589 -31.170 1.00 0.00 C ATOM 868 C ALA A 58 15.433 0.802 -30.054 1.00 0.00 C ATOM 869 O ALA A 58 16.635 0.952 -29.840 1.00 0.00 O ATOM 870 CB ALA A 58 14.989 0.919 -32.522 1.00 0.00 C ATOM 0 H ALA A 58 16.203 3.023 -30.778 1.00 0.00 H new ATOM 0 HA ALA A 58 13.676 1.617 -30.968 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.589 -0.095 -32.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.491 1.490 -33.306 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.060 0.883 -32.724 1.00 0.00 H new ATOM 876 N LYS A 59 14.675 -0.038 -29.340 1.00 0.00 N ATOM 877 CA LYS A 59 15.216 -0.853 -28.261 1.00 0.00 C ATOM 878 C LYS A 59 14.336 -2.076 -28.030 1.00 0.00 C ATOM 879 O LYS A 59 13.138 -2.044 -28.311 1.00 0.00 O ATOM 880 CB LYS A 59 15.337 0.000 -26.983 1.00 0.00 C ATOM 881 CG LYS A 59 14.002 0.282 -26.283 1.00 0.00 C ATOM 882 CD LYS A 59 13.660 -0.812 -25.269 1.00 0.00 C ATOM 883 CE LYS A 59 12.419 -0.432 -24.474 1.00 0.00 C ATOM 884 NZ LYS A 59 12.635 0.791 -23.678 1.00 0.00 N ATOM 0 H LYS A 59 13.676 -0.167 -29.497 1.00 0.00 H new ATOM 0 HA LYS A 59 16.210 -1.208 -28.535 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.001 -0.508 -26.283 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.808 0.949 -27.237 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.051 1.246 -25.777 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.208 0.352 -27.026 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.493 -1.757 -25.787 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.501 -0.964 -24.592 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.582 -0.279 -25.156 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.145 -1.254 -23.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.036 0.762 -22.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.634 0.849 -23.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.387 1.625 -24.248 1.00 0.00 H new ATOM 898 N VAL A 60 14.923 -3.155 -27.514 1.00 0.00 N ATOM 899 CA VAL A 60 14.169 -4.311 -27.047 1.00 0.00 C ATOM 900 C VAL A 60 14.247 -4.290 -25.525 1.00 0.00 C ATOM 901 O VAL A 60 15.280 -3.934 -24.954 1.00 0.00 O ATOM 902 CB VAL A 60 14.769 -5.596 -27.624 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.296 -6.839 -26.872 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.332 -5.715 -29.081 1.00 0.00 C ATOM 0 H VAL A 60 15.933 -3.250 -27.409 1.00 0.00 H new ATOM 0 HA VAL A 60 13.129 -4.276 -27.373 1.00 0.00 H new ATOM 0 HB VAL A 60 15.853 -5.539 -27.530 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.747 -7.726 -27.316 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.593 -6.766 -25.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.210 -6.912 -26.937 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.749 -6.625 -29.513 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.244 -5.754 -29.132 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.691 -4.851 -29.640 1.00 0.00 H new ATOM 914 N PHE A 61 13.158 -4.670 -24.859 1.00 0.00 N ATOM 915 CA PHE A 61 13.104 -4.667 -23.407 1.00 0.00 C ATOM 916 C PHE A 61 13.965 -5.721 -22.717 1.00 0.00 C ATOM 917 O PHE A 61 14.168 -6.804 -23.263 1.00 0.00 O ATOM 918 CB PHE A 61 11.662 -4.648 -22.909 1.00 0.00 C ATOM 919 CG PHE A 61 10.969 -3.311 -23.056 1.00 0.00 C ATOM 920 CD1 PHE A 61 10.227 -3.021 -24.209 1.00 0.00 C ATOM 921 CD2 PHE A 61 11.059 -2.363 -22.033 1.00 0.00 C ATOM 922 CE1 PHE A 61 9.566 -1.791 -24.334 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.397 -1.137 -22.151 1.00 0.00 C ATOM 924 CZ PHE A 61 9.640 -0.849 -23.299 1.00 0.00 C ATOM 0 H PHE A 61 12.299 -4.985 -25.310 1.00 0.00 H new ATOM 0 HA PHE A 61 13.576 -3.732 -23.104 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.092 -5.401 -23.453 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.649 -4.937 -21.858 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.164 -3.748 -25.005 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.641 -2.578 -21.149 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.000 -1.570 -25.227 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.468 -0.409 -21.357 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.118 0.093 -23.383 1.00 0.00 H new ATOM 934 N ILE A 62 14.468 -5.410 -21.517 1.00 0.00 N ATOM 935 CA ILE A 62 15.346 -6.300 -20.765 1.00 0.00 C ATOM 936 C ILE A 62 14.888 -6.377 -19.309 1.00 0.00 C ATOM 937 O ILE A 62 14.379 -5.397 -18.766 1.00 0.00 O ATOM 938 CB ILE A 62 16.798 -5.799 -20.840 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.305 -5.622 -22.282 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.717 -6.751 -20.068 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.434 -6.940 -23.044 1.00 0.00 C ATOM 0 H ILE A 62 14.274 -4.529 -21.042 1.00 0.00 H new ATOM 0 HA ILE A 62 15.298 -7.297 -21.203 1.00 0.00 H new ATOM 0 HB ILE A 62 16.816 -4.810 -20.383 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.623 -4.964 -22.821 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.276 -5.127 -22.260 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.744 -6.391 -20.125 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.404 -6.792 -19.025 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.657 -7.748 -20.505 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.796 -6.743 -24.053 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.138 -7.592 -22.527 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.460 -7.427 -23.096 1.00 0.00 H new ATOM 953 N ASP A 63 15.065 -7.534 -18.666 1.00 0.00 N ATOM 954 CA ASP A 63 14.728 -7.694 -17.259 1.00 0.00 C ATOM 955 C ASP A 63 15.979 -7.468 -16.414 1.00 0.00 C ATOM 956 O ASP A 63 17.037 -8.014 -16.712 1.00 0.00 O ATOM 957 CB ASP A 63 14.150 -9.092 -17.038 1.00 0.00 C ATOM 958 CG ASP A 63 13.659 -9.325 -15.608 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.171 -10.446 -15.354 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.772 -8.394 -14.783 1.00 0.00 O ATOM 0 H ASP A 63 15.442 -8.374 -19.104 1.00 0.00 H new ATOM 0 HA ASP A 63 13.978 -6.962 -16.960 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.322 -9.249 -17.729 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.911 -9.834 -17.279 1.00 0.00 H new ATOM 965 N LYS A 64 15.868 -6.667 -15.353 1.00 0.00 N ATOM 966 CA LYS A 64 16.990 -6.339 -14.484 1.00 0.00 C ATOM 967 C LYS A 64 17.317 -7.484 -13.524 1.00 0.00 C ATOM 968 O LYS A 64 18.368 -7.468 -12.889 1.00 0.00 O ATOM 969 CB LYS A 64 16.638 -5.058 -13.729 1.00 0.00 C ATOM 970 CG LYS A 64 15.441 -5.268 -12.795 1.00 0.00 C ATOM 971 CD LYS A 64 14.842 -3.926 -12.376 1.00 0.00 C ATOM 972 CE LYS A 64 14.177 -3.256 -13.581 1.00 0.00 C ATOM 973 NZ LYS A 64 13.551 -1.977 -13.193 1.00 0.00 N ATOM 0 H LYS A 64 14.991 -6.227 -15.074 1.00 0.00 H new ATOM 0 HA LYS A 64 17.887 -6.185 -15.083 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.500 -4.728 -13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.410 -4.265 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.683 -5.870 -13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.756 -5.823 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.110 -4.076 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.622 -3.279 -11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.919 -3.081 -14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.423 -3.921 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.107 -1.541 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.828 -2.151 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.277 -1.336 -12.813 1.00 0.00 H new ATOM 987 N GLN A 65 16.422 -8.470 -13.411 1.00 0.00 N ATOM 988 CA GLN A 65 16.593 -9.598 -12.511 1.00 0.00 C ATOM 989 C GLN A 65 17.325 -10.767 -13.165 1.00 0.00 C ATOM 990 O GLN A 65 17.924 -11.586 -12.470 1.00 0.00 O ATOM 991 CB GLN A 65 15.213 -10.081 -12.068 1.00 0.00 C ATOM 992 CG GLN A 65 14.465 -9.037 -11.242 1.00 0.00 C ATOM 993 CD GLN A 65 15.155 -8.763 -9.911 1.00 0.00 C ATOM 994 OE1 GLN A 65 16.095 -7.822 -9.891 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 14.855 -9.400 -8.904 1.00 0.00 N flip ATOM 0 H GLN A 65 15.555 -8.502 -13.948 1.00 0.00 H new ATOM 0 HA GLN A 65 17.195 -9.258 -11.668 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.621 -10.336 -12.947 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.322 -10.993 -11.482 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.391 -8.110 -11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.447 -9.381 -11.059 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.130 -10.116 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.331 -9.213 -8.022 1.00 0.00 H new ATOM 1004 N THR A 66 17.275 -10.845 -14.497 1.00 0.00 N ATOM 1005 CA THR A 66 17.835 -11.965 -15.252 1.00 0.00 C ATOM 1006 C THR A 66 18.654 -11.573 -16.468 1.00 0.00 C ATOM 1007 O THR A 66 19.374 -12.395 -17.029 1.00 0.00 O ATOM 1008 CB THR A 66 16.750 -12.985 -15.610 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.186 -12.636 -16.856 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.625 -13.030 -14.583 1.00 0.00 C ATOM 0 H THR A 66 16.843 -10.130 -15.083 1.00 0.00 H new ATOM 0 HA THR A 66 18.553 -12.431 -14.577 1.00 0.00 H new ATOM 0 HB THR A 66 17.226 -13.965 -15.638 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.390 -13.184 -17.020 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.884 -13.770 -14.887 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.032 -13.303 -13.609 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.153 -12.050 -14.517 1.00 0.00 H new ATOM 1018 N ASN A 67 18.538 -10.302 -16.863 1.00 0.00 N ATOM 1019 CA ASN A 67 19.228 -9.731 -18.017 1.00 0.00 C ATOM 1020 C ASN A 67 18.830 -10.418 -19.329 1.00 0.00 C ATOM 1021 O ASN A 67 19.457 -10.195 -20.363 1.00 0.00 O ATOM 1022 CB ASN A 67 20.740 -9.741 -17.766 1.00 0.00 C ATOM 1023 CG ASN A 67 21.498 -8.837 -18.729 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.997 -7.797 -19.153 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.721 -9.226 -19.083 1.00 0.00 N ATOM 0 H ASN A 67 17.947 -9.628 -16.376 1.00 0.00 H new ATOM 0 HA ASN A 67 18.916 -8.694 -18.138 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.937 -9.422 -16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.114 -10.761 -17.860 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.272 -8.655 -19.724 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.107 -10.095 -18.713 1.00 0.00 H new ATOM 1032 N LEU A 68 17.786 -11.253 -19.297 1.00 0.00 N ATOM 1033 CA LEU A 68 17.277 -11.918 -20.484 1.00 0.00 C ATOM 1034 C LEU A 68 16.418 -10.958 -21.298 1.00 0.00 C ATOM 1035 O LEU A 68 15.854 -10.005 -20.758 1.00 0.00 O ATOM 1036 CB LEU A 68 16.460 -13.151 -20.089 1.00 0.00 C ATOM 1037 CG LEU A 68 17.331 -14.230 -19.437 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.441 -15.384 -18.983 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.361 -14.776 -20.422 1.00 0.00 C ATOM 0 H LEU A 68 17.276 -11.482 -18.444 1.00 0.00 H new ATOM 0 HA LEU A 68 18.121 -12.237 -21.095 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.670 -12.857 -19.399 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.974 -13.563 -20.973 1.00 0.00 H new ATOM 0 HG LEU A 68 17.852 -13.782 -18.591 1.00 0.00 H new ATOM 0 HD11 LEU A 68 17.055 -16.156 -18.518 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.710 -15.018 -18.262 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.922 -15.804 -19.845 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.964 -15.540 -19.931 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.849 -15.213 -21.279 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.006 -13.965 -20.760 1.00 0.00 H new ATOM 1051 N SER A 69 16.321 -11.213 -22.605 1.00 0.00 N ATOM 1052 CA SER A 69 15.518 -10.394 -23.497 1.00 0.00 C ATOM 1053 C SER A 69 14.034 -10.607 -23.223 1.00 0.00 C ATOM 1054 O SER A 69 13.586 -11.747 -23.083 1.00 0.00 O ATOM 1055 CB SER A 69 15.866 -10.742 -24.943 1.00 0.00 C ATOM 1056 OG SER A 69 15.062 -9.997 -25.830 1.00 0.00 O ATOM 0 H SER A 69 16.796 -11.989 -23.066 1.00 0.00 H new ATOM 0 HA SER A 69 15.737 -9.340 -23.324 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.919 -10.533 -25.132 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.717 -11.808 -25.114 1.00 0.00 H new ATOM 0 HG SER A 69 15.295 -10.227 -26.754 1.00 0.00 H new ATOM 1062 N LYS A 70 13.269 -9.515 -23.147 1.00 0.00 N ATOM 1063 CA LYS A 70 11.828 -9.590 -22.972 1.00 0.00 C ATOM 1064 C LYS A 70 11.137 -9.782 -24.318 1.00 0.00 C ATOM 1065 O LYS A 70 11.728 -9.559 -25.373 1.00 0.00 O ATOM 1066 CB LYS A 70 11.301 -8.356 -22.238 1.00 0.00 C ATOM 1067 CG LYS A 70 11.842 -8.277 -20.808 1.00 0.00 C ATOM 1068 CD LYS A 70 11.015 -7.262 -20.015 1.00 0.00 C ATOM 1069 CE LYS A 70 11.498 -7.178 -18.572 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.770 -6.125 -17.839 1.00 0.00 N ATOM 0 H LYS A 70 13.633 -8.564 -23.205 1.00 0.00 H new ATOM 0 HA LYS A 70 11.599 -10.457 -22.353 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.585 -7.457 -22.785 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.212 -8.384 -22.214 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.792 -9.256 -20.332 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.891 -7.981 -20.819 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.087 -6.281 -20.485 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.963 -7.548 -20.035 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.353 -8.139 -18.078 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.567 -6.968 -18.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.114 -6.084 -16.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.930 -5.207 -18.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.753 -6.341 -17.841 1.00 0.00 H new ATOM 1084 N CYS A 71 9.870 -10.199 -24.276 1.00 0.00 N ATOM 1085 CA CYS A 71 9.101 -10.522 -25.463 1.00 0.00 C ATOM 1086 C CYS A 71 8.551 -9.299 -26.205 1.00 0.00 C ATOM 1087 O CYS A 71 7.635 -9.448 -27.006 1.00 0.00 O ATOM 1088 CB CYS A 71 7.979 -11.495 -25.096 1.00 0.00 C ATOM 1089 SG CYS A 71 8.712 -13.075 -24.591 1.00 0.00 S ATOM 0 H CYS A 71 9.351 -10.321 -23.406 1.00 0.00 H new ATOM 0 HA CYS A 71 9.789 -10.993 -26.165 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.374 -11.085 -24.287 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.315 -11.643 -25.948 1.00 0.00 H new ATOM 0 HG CYS A 71 7.767 -13.910 -24.274 1.00 0.00 H new ATOM 1095 N PHE A 72 9.076 -8.092 -25.964 1.00 0.00 N ATOM 1096 CA PHE A 72 8.525 -6.917 -26.629 1.00 0.00 C ATOM 1097 C PHE A 72 9.619 -5.846 -26.650 1.00 0.00 C ATOM 1098 O PHE A 72 10.667 -5.985 -26.015 1.00 0.00 O ATOM 1099 CB PHE A 72 7.297 -6.460 -25.829 1.00 0.00 C ATOM 1100 CG PHE A 72 7.548 -5.649 -24.581 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.094 -4.323 -24.532 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.202 -6.214 -23.477 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.282 -3.561 -23.371 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.394 -5.447 -22.316 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.933 -4.124 -22.264 1.00 0.00 C ATOM 0 H PHE A 72 9.857 -7.910 -25.333 1.00 0.00 H new ATOM 0 HA PHE A 72 8.214 -7.121 -27.654 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.662 -5.872 -26.492 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.729 -7.346 -25.547 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.600 -3.889 -25.389 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.556 -7.233 -23.519 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.926 -2.542 -23.329 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.897 -5.877 -21.463 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.080 -3.537 -21.369 1.00 0.00 H new ATOM 1115 N GLY A 73 9.360 -4.772 -27.398 1.00 0.00 N ATOM 1116 CA GLY A 73 10.303 -3.697 -27.659 1.00 0.00 C ATOM 1117 C GLY A 73 9.594 -2.390 -28.011 1.00 0.00 C ATOM 1118 O GLY A 73 8.364 -2.306 -28.012 1.00 0.00 O ATOM 0 H GLY A 73 8.458 -4.627 -27.851 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.931 -3.544 -26.782 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.963 -3.984 -28.478 1.00 0.00 H new ATOM 1122 N PHE A 74 10.396 -1.365 -28.314 1.00 0.00 N ATOM 1123 CA PHE A 74 9.946 -0.020 -28.634 1.00 0.00 C ATOM 1124 C PHE A 74 10.707 0.660 -29.775 1.00 0.00 C ATOM 1125 O PHE A 74 11.911 0.455 -29.910 1.00 0.00 O ATOM 1126 CB PHE A 74 9.808 0.830 -27.364 1.00 0.00 C ATOM 1127 CG PHE A 74 9.955 2.315 -27.600 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.130 2.966 -27.199 1.00 0.00 C ATOM 1129 CD2 PHE A 74 8.935 3.038 -28.234 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.321 4.317 -27.520 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.117 4.395 -28.534 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.317 5.032 -28.190 1.00 0.00 C ATOM 0 H PHE A 74 11.411 -1.459 -28.342 1.00 0.00 H new ATOM 0 HA PHE A 74 8.946 -0.122 -29.056 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.833 0.639 -26.915 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.560 0.511 -26.642 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.885 2.429 -26.645 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.007 2.549 -28.492 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.244 4.809 -27.251 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.334 4.949 -29.030 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.469 6.072 -28.440 1.00 0.00 H new ATOM 1142 N VAL A 75 10.011 1.464 -30.589 1.00 0.00 N ATOM 1143 CA VAL A 75 10.582 2.129 -31.757 1.00 0.00 C ATOM 1144 C VAL A 75 9.913 3.492 -31.966 1.00 0.00 C ATOM 1145 O VAL A 75 8.757 3.671 -31.588 1.00 0.00 O ATOM 1146 CB VAL A 75 10.407 1.235 -33.000 1.00 0.00 C ATOM 1147 CG1 VAL A 75 11.021 1.883 -34.239 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.051 -0.142 -32.818 1.00 0.00 C ATOM 0 H VAL A 75 9.022 1.671 -30.449 1.00 0.00 H new ATOM 0 HA VAL A 75 11.647 2.294 -31.595 1.00 0.00 H new ATOM 0 HB VAL A 75 9.332 1.114 -33.131 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.881 1.228 -35.099 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.534 2.840 -34.428 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.086 2.044 -34.075 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.901 -0.736 -33.720 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.119 -0.023 -32.635 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.592 -0.649 -31.969 1.00 0.00 H new ATOM 1158 N SER A 76 10.620 4.458 -32.564 1.00 0.00 N ATOM 1159 CA SER A 76 10.056 5.778 -32.828 1.00 0.00 C ATOM 1160 C SER A 76 10.536 6.367 -34.152 1.00 0.00 C ATOM 1161 O SER A 76 11.688 6.173 -34.548 1.00 0.00 O ATOM 1162 CB SER A 76 10.367 6.728 -31.672 1.00 0.00 C ATOM 1163 OG SER A 76 9.888 8.024 -31.969 1.00 0.00 O ATOM 0 H SER A 76 11.585 4.345 -32.873 1.00 0.00 H new ATOM 0 HA SER A 76 8.976 5.655 -32.912 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.905 6.362 -30.755 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.442 6.760 -31.496 1.00 0.00 H new ATOM 0 HG SER A 76 9.049 7.956 -32.471 1.00 0.00 H new ATOM 1169 N TYR A 77 9.638 7.089 -34.830 1.00 0.00 N ATOM 1170 CA TYR A 77 9.877 7.714 -36.121 1.00 0.00 C ATOM 1171 C TYR A 77 10.048 9.229 -36.099 1.00 0.00 C ATOM 1172 O TYR A 77 9.702 9.882 -35.120 1.00 0.00 O ATOM 1173 CB TYR A 77 8.785 7.305 -37.109 1.00 0.00 C ATOM 1174 CG TYR A 77 8.874 5.864 -37.534 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.658 5.504 -38.639 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.173 4.888 -36.814 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.744 4.159 -39.023 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.258 3.544 -37.190 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.050 3.174 -38.293 1.00 0.00 C ATOM 1180 OH TYR A 77 9.145 1.866 -38.646 1.00 0.00 O ATOM 0 H TYR A 77 8.695 7.256 -34.478 1.00 0.00 H new ATOM 0 HA TYR A 77 10.848 7.339 -36.445 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.810 7.483 -36.656 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.847 7.941 -37.992 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.194 6.261 -39.193 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.566 5.174 -35.968 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.342 3.878 -39.878 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.717 2.792 -36.635 1.00 0.00 H new ATOM 0 HH TYR A 77 10.014 1.703 -39.068 1.00 0.00 H new ATOM 1190 N ASP A 78 10.580 9.794 -37.187 1.00 0.00 N ATOM 1191 CA ASP A 78 10.696 11.240 -37.339 1.00 0.00 C ATOM 1192 C ASP A 78 9.359 11.835 -37.797 1.00 0.00 C ATOM 1193 O ASP A 78 9.188 13.054 -37.823 1.00 0.00 O ATOM 1194 CB ASP A 78 11.815 11.523 -38.342 1.00 0.00 C ATOM 1195 CG ASP A 78 12.140 13.007 -38.485 1.00 0.00 C ATOM 1196 OD1 ASP A 78 11.886 13.765 -37.524 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.646 13.373 -39.571 1.00 0.00 O ATOM 0 H ASP A 78 10.939 9.262 -37.980 1.00 0.00 H new ATOM 0 HA ASP A 78 10.942 11.709 -36.386 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.714 10.990 -38.032 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.529 11.126 -39.316 1.00 0.00 H new ATOM 1202 N ASN A 79 8.399 10.979 -38.161 1.00 0.00 N ATOM 1203 CA ASN A 79 7.063 11.402 -38.554 1.00 0.00 C ATOM 1204 C ASN A 79 6.046 10.282 -38.339 1.00 0.00 C ATOM 1205 O ASN A 79 6.403 9.109 -38.423 1.00 0.00 O ATOM 1206 CB ASN A 79 7.052 11.897 -40.009 1.00 0.00 C ATOM 1207 CG ASN A 79 7.806 11.008 -40.996 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.860 9.704 -40.751 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.344 11.498 -41.984 1.00 0.00 N flip ATOM 0 H ASN A 79 8.534 9.968 -38.189 1.00 0.00 H new ATOM 0 HA ASN A 79 6.771 12.237 -37.916 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.017 11.986 -40.340 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.484 12.897 -40.040 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.288 12.503 -42.150 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.847 10.900 -42.640 1.00 0.00 H new ATOM 1216 N PRO A 80 4.785 10.625 -38.063 1.00 0.00 N ATOM 1217 CA PRO A 80 3.739 9.654 -37.795 1.00 0.00 C ATOM 1218 C PRO A 80 3.324 8.902 -39.058 1.00 0.00 C ATOM 1219 O PRO A 80 2.716 7.840 -38.963 1.00 0.00 O ATOM 1220 CB PRO A 80 2.576 10.477 -37.236 1.00 0.00 C ATOM 1221 CG PRO A 80 2.750 11.831 -37.926 1.00 0.00 C ATOM 1222 CD PRO A 80 4.268 11.982 -37.984 1.00 0.00 C ATOM 0 HA PRO A 80 4.074 8.885 -37.099 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.612 10.025 -37.471 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.630 10.567 -36.151 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.303 11.840 -38.920 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.284 12.637 -37.360 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.572 12.570 -38.850 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.646 12.496 -37.101 1.00 0.00 H new ATOM 1230 N VAL A 81 3.639 9.430 -40.245 1.00 0.00 N ATOM 1231 CA VAL A 81 3.264 8.782 -41.495 1.00 0.00 C ATOM 1232 C VAL A 81 3.950 7.427 -41.644 1.00 0.00 C ATOM 1233 O VAL A 81 3.322 6.440 -42.023 1.00 0.00 O ATOM 1234 CB VAL A 81 3.604 9.692 -42.679 1.00 0.00 C ATOM 1235 CG1 VAL A 81 3.057 9.097 -43.976 1.00 0.00 C ATOM 1236 CG2 VAL A 81 3.014 11.083 -42.476 1.00 0.00 C ATOM 0 H VAL A 81 4.152 10.304 -40.361 1.00 0.00 H new ATOM 0 HA VAL A 81 2.188 8.607 -41.480 1.00 0.00 H new ATOM 0 HB VAL A 81 4.689 9.772 -42.744 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.305 9.753 -44.810 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.501 8.115 -44.142 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.974 8.997 -43.902 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.267 11.714 -43.328 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.930 11.009 -42.389 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.422 11.522 -41.566 1.00 0.00 H new ATOM 1246 N SER A 82 5.247 7.389 -41.339 1.00 0.00 N ATOM 1247 CA SER A 82 6.022 6.156 -41.382 1.00 0.00 C ATOM 1248 C SER A 82 5.619 5.218 -40.250 1.00 0.00 C ATOM 1249 O SER A 82 5.770 4.006 -40.373 1.00 0.00 O ATOM 1250 CB SER A 82 7.506 6.490 -41.248 1.00 0.00 C ATOM 1251 OG SER A 82 7.924 7.285 -42.337 1.00 0.00 O ATOM 0 H SER A 82 5.785 8.209 -41.057 1.00 0.00 H new ATOM 0 HA SER A 82 5.828 5.659 -42.332 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.685 7.019 -40.312 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.092 5.571 -41.212 1.00 0.00 H new ATOM 0 HG SER A 82 7.987 8.221 -42.053 1.00 0.00 H new ATOM 1257 N ALA A 83 5.105 5.771 -39.145 1.00 0.00 N ATOM 1258 CA ALA A 83 4.717 4.970 -37.998 1.00 0.00 C ATOM 1259 C ALA A 83 3.425 4.208 -38.294 1.00 0.00 C ATOM 1260 O ALA A 83 3.352 3.008 -38.047 1.00 0.00 O ATOM 1261 CB ALA A 83 4.549 5.884 -36.787 1.00 0.00 C ATOM 0 H ALA A 83 4.951 6.773 -39.029 1.00 0.00 H new ATOM 0 HA ALA A 83 5.493 4.235 -37.783 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.257 5.290 -35.921 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.492 6.390 -36.579 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.778 6.625 -36.995 1.00 0.00 H new ATOM 1267 N GLN A 84 2.404 4.886 -38.825 1.00 0.00 N ATOM 1268 CA GLN A 84 1.130 4.237 -39.101 1.00 0.00 C ATOM 1269 C GLN A 84 1.283 3.185 -40.199 1.00 0.00 C ATOM 1270 O GLN A 84 0.541 2.206 -40.226 1.00 0.00 O ATOM 1271 CB GLN A 84 0.088 5.290 -39.488 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.160 6.271 -38.337 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.625 5.574 -37.065 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.378 4.605 -37.113 1.00 0.00 O ATOM 1275 NE2 GLN A 84 -0.182 6.067 -35.910 1.00 0.00 N ATOM 0 H GLN A 84 2.438 5.876 -39.069 1.00 0.00 H new ATOM 0 HA GLN A 84 0.791 3.724 -38.201 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.428 5.836 -40.368 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.847 4.799 -39.759 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.757 6.823 -38.130 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.910 7.001 -38.642 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.443 6.873 -35.906 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.467 5.638 -35.030 1.00 0.00 H new ATOM 1284 N ALA A 85 2.245 3.376 -41.108 1.00 0.00 N ATOM 1285 CA ALA A 85 2.524 2.382 -42.127 1.00 0.00 C ATOM 1286 C ALA A 85 3.131 1.132 -41.496 1.00 0.00 C ATOM 1287 O ALA A 85 2.748 0.018 -41.843 1.00 0.00 O ATOM 1288 CB ALA A 85 3.498 2.958 -43.151 1.00 0.00 C ATOM 0 H ALA A 85 2.835 4.207 -41.152 1.00 0.00 H new ATOM 0 HA ALA A 85 1.590 2.112 -42.620 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.706 2.210 -43.916 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.057 3.840 -43.616 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.427 3.236 -42.653 1.00 0.00 H new ATOM 1294 N ALA A 86 4.074 1.318 -40.568 1.00 0.00 N ATOM 1295 CA ALA A 86 4.744 0.213 -39.911 1.00 0.00 C ATOM 1296 C ALA A 86 3.801 -0.585 -39.006 1.00 0.00 C ATOM 1297 O ALA A 86 4.048 -1.770 -38.771 1.00 0.00 O ATOM 1298 CB ALA A 86 5.919 0.758 -39.105 1.00 0.00 C ATOM 0 H ALA A 86 4.387 2.238 -40.258 1.00 0.00 H new ATOM 0 HA ALA A 86 5.098 -0.476 -40.678 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.431 -0.065 -38.606 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.614 1.266 -39.773 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.553 1.463 -38.359 1.00 0.00 H new ATOM 1304 N ILE A 87 2.723 0.027 -38.494 1.00 0.00 N ATOM 1305 CA ILE A 87 1.742 -0.718 -37.711 1.00 0.00 C ATOM 1306 C ILE A 87 1.033 -1.710 -38.622 1.00 0.00 C ATOM 1307 O ILE A 87 0.978 -2.899 -38.325 1.00 0.00 O ATOM 1308 CB ILE A 87 0.710 0.215 -37.059 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.398 1.123 -36.037 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.377 -0.618 -36.370 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.398 1.987 -35.265 1.00 0.00 C ATOM 0 H ILE A 87 2.515 1.019 -38.608 1.00 0.00 H new ATOM 0 HA ILE A 87 2.266 -1.242 -36.912 1.00 0.00 H new ATOM 0 HB ILE A 87 0.252 0.835 -37.830 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.966 0.512 -35.335 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.113 1.767 -36.549 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.107 0.047 -35.909 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.875 -1.248 -37.107 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.077 -1.246 -35.603 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.933 2.614 -34.552 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.152 2.619 -35.963 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.301 1.344 -34.730 1.00 0.00 H new ATOM 1323 N GLN A 88 0.492 -1.218 -39.739 1.00 0.00 N ATOM 1324 CA GLN A 88 -0.218 -2.063 -40.688 1.00 0.00 C ATOM 1325 C GLN A 88 0.728 -3.054 -41.368 1.00 0.00 C ATOM 1326 O GLN A 88 0.271 -4.006 -42.001 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.897 -1.179 -41.738 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.935 -0.264 -41.087 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.602 0.657 -42.104 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.330 0.592 -43.298 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.490 1.529 -41.635 1.00 0.00 N ATOM 0 H GLN A 88 0.535 -0.234 -40.005 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.968 -2.640 -40.147 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.148 -0.578 -42.254 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.377 -1.804 -42.491 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.695 -0.871 -40.594 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.455 0.336 -40.314 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.696 1.560 -40.636 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.965 2.167 -42.274 1.00 0.00 H new ATOM 1340 N ALA A 89 2.040 -2.837 -41.238 1.00 0.00 N ATOM 1341 CA ALA A 89 3.034 -3.684 -41.868 1.00 0.00 C ATOM 1342 C ALA A 89 3.422 -4.880 -40.995 1.00 0.00 C ATOM 1343 O ALA A 89 3.726 -5.945 -41.531 1.00 0.00 O ATOM 1344 CB ALA A 89 4.270 -2.838 -42.165 1.00 0.00 C ATOM 0 H ALA A 89 2.433 -2.070 -40.693 1.00 0.00 H new ATOM 0 HA ALA A 89 2.607 -4.088 -42.786 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.030 -3.458 -42.640 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.999 -2.021 -42.833 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.664 -2.430 -41.234 1.00 0.00 H new ATOM 1350 N MET A 90 3.419 -4.721 -39.664 1.00 0.00 N ATOM 1351 CA MET A 90 3.862 -5.783 -38.770 1.00 0.00 C ATOM 1352 C MET A 90 2.846 -6.217 -37.718 1.00 0.00 C ATOM 1353 O MET A 90 3.040 -7.246 -37.072 1.00 0.00 O ATOM 1354 CB MET A 90 5.199 -5.423 -38.138 1.00 0.00 C ATOM 1355 CG MET A 90 6.301 -5.527 -39.191 1.00 0.00 C ATOM 1356 SD MET A 90 7.979 -5.627 -38.518 1.00 0.00 S ATOM 1357 CE MET A 90 7.837 -7.175 -37.586 1.00 0.00 C ATOM 0 H MET A 90 3.115 -3.870 -39.191 1.00 0.00 H new ATOM 0 HA MET A 90 3.980 -6.662 -39.404 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.162 -4.412 -37.733 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.412 -6.093 -37.305 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.117 -6.409 -39.805 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.239 -4.661 -39.850 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.829 -7.507 -37.279 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.219 -7.013 -36.703 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.377 -7.937 -38.215 1.00 0.00 H new ATOM 1367 N ASN A 91 1.762 -5.466 -37.527 1.00 0.00 N ATOM 1368 CA ASN A 91 0.692 -5.920 -36.656 1.00 0.00 C ATOM 1369 C ASN A 91 0.121 -7.213 -37.238 1.00 0.00 C ATOM 1370 O ASN A 91 -0.280 -7.248 -38.401 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.379 -4.831 -36.547 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.425 -5.150 -35.489 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.259 -6.069 -34.693 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.516 -4.391 -35.477 1.00 0.00 N ATOM 0 H ASN A 91 1.607 -4.555 -37.959 1.00 0.00 H new ATOM 0 HA ASN A 91 1.064 -6.117 -35.650 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.097 -3.880 -36.308 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.869 -4.709 -37.513 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.250 -4.564 -34.790 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.619 -3.636 -36.155 1.00 0.00 H new ATOM 1381 N GLY A 92 0.085 -8.278 -36.437 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.400 -9.578 -36.874 1.00 0.00 C ATOM 1383 C GLY A 92 0.664 -10.388 -37.621 1.00 0.00 C ATOM 1384 O GLY A 92 0.351 -11.456 -38.142 1.00 0.00 O ATOM 0 H GLY A 92 0.393 -8.259 -35.465 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.739 -10.145 -36.007 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.265 -9.439 -37.522 1.00 0.00 H new ATOM 1388 N PHE A 93 1.909 -9.900 -37.685 1.00 0.00 N ATOM 1389 CA PHE A 93 2.978 -10.600 -38.387 1.00 0.00 C ATOM 1390 C PHE A 93 3.268 -11.966 -37.772 1.00 0.00 C ATOM 1391 O PHE A 93 3.536 -12.059 -36.576 1.00 0.00 O ATOM 1392 CB PHE A 93 4.234 -9.730 -38.460 1.00 0.00 C ATOM 1393 CG PHE A 93 5.446 -10.401 -39.068 1.00 0.00 C ATOM 1394 CD1 PHE A 93 5.708 -10.232 -40.435 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.318 -11.171 -38.283 1.00 0.00 C ATOM 1396 CE1 PHE A 93 6.842 -10.820 -41.015 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.454 -11.756 -38.863 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.715 -11.585 -40.228 1.00 0.00 C ATOM 0 H PHE A 93 2.196 -9.020 -37.256 1.00 0.00 H new ATOM 0 HA PHE A 93 2.640 -10.787 -39.406 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.004 -8.836 -39.039 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.488 -9.401 -37.452 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.034 -9.647 -41.044 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.115 -11.313 -37.232 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.043 -10.684 -42.067 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.129 -12.340 -38.255 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.587 -12.041 -40.674 1.00 0.00 H new ATOM 1408 N GLN A 94 3.219 -13.029 -38.582 1.00 0.00 N ATOM 1409 CA GLN A 94 3.425 -14.380 -38.082 1.00 0.00 C ATOM 1410 C GLN A 94 4.910 -14.659 -37.867 1.00 0.00 C ATOM 1411 O GLN A 94 5.725 -14.447 -38.764 1.00 0.00 O ATOM 1412 CB GLN A 94 2.779 -15.390 -39.035 1.00 0.00 C ATOM 1413 CG GLN A 94 2.925 -16.827 -38.524 1.00 0.00 C ATOM 1414 CD GLN A 94 4.255 -17.472 -38.901 1.00 0.00 C ATOM 1415 OE1 GLN A 94 4.891 -17.103 -39.887 1.00 0.00 O ATOM 1416 NE2 GLN A 94 4.698 -18.447 -38.114 1.00 0.00 N ATOM 0 H GLN A 94 3.038 -12.973 -39.584 1.00 0.00 H new ATOM 0 HA GLN A 94 2.942 -14.481 -37.110 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.722 -15.152 -39.155 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.238 -15.306 -40.020 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.822 -16.831 -37.439 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.110 -17.431 -38.923 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.152 -18.735 -37.302 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.584 -18.907 -38.322 1.00 0.00 H new ATOM 1425 N ILE A 95 5.251 -15.138 -36.668 1.00 0.00 N ATOM 1426 CA ILE A 95 6.614 -15.496 -36.309 1.00 0.00 C ATOM 1427 C ILE A 95 6.575 -16.633 -35.290 1.00 0.00 C ATOM 1428 O ILE A 95 5.773 -16.600 -34.360 1.00 0.00 O ATOM 1429 CB ILE A 95 7.354 -14.256 -35.794 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.819 -14.593 -35.494 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.686 -13.690 -34.542 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.630 -13.316 -35.282 1.00 0.00 C ATOM 0 H ILE A 95 4.578 -15.287 -35.916 1.00 0.00 H new ATOM 0 HA ILE A 95 7.166 -15.853 -37.178 1.00 0.00 H new ATOM 0 HB ILE A 95 7.313 -13.498 -36.576 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.879 -15.221 -34.605 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.242 -15.167 -36.318 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.235 -12.812 -34.202 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.659 -13.409 -34.773 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.687 -14.445 -33.756 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.667 -13.575 -35.070 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.585 -12.703 -36.182 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.217 -12.758 -34.442 1.00 0.00 H new ATOM 1444 N GLY A 96 7.430 -17.646 -35.447 1.00 0.00 N ATOM 1445 CA GLY A 96 7.459 -18.751 -34.504 1.00 0.00 C ATOM 1446 C GLY A 96 6.089 -19.425 -34.424 1.00 0.00 C ATOM 1447 O GLY A 96 5.652 -20.068 -35.378 1.00 0.00 O ATOM 0 H GLY A 96 8.102 -17.719 -36.211 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.211 -19.478 -34.810 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.750 -18.388 -33.518 1.00 0.00 H new ATOM 1451 N MET A 97 5.417 -19.271 -33.280 1.00 0.00 N ATOM 1452 CA MET A 97 4.105 -19.858 -33.042 1.00 0.00 C ATOM 1453 C MET A 97 3.109 -18.826 -32.500 1.00 0.00 C ATOM 1454 O MET A 97 2.060 -19.201 -31.979 1.00 0.00 O ATOM 1455 CB MET A 97 4.240 -21.072 -32.116 1.00 0.00 C ATOM 1456 CG MET A 97 4.772 -20.665 -30.742 1.00 0.00 C ATOM 1457 SD MET A 97 4.857 -22.026 -29.548 1.00 0.00 S ATOM 1458 CE MET A 97 6.119 -23.052 -30.343 1.00 0.00 C ATOM 0 H MET A 97 5.774 -18.732 -32.491 1.00 0.00 H new ATOM 0 HA MET A 97 3.699 -20.199 -33.994 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.270 -21.556 -32.004 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.911 -21.803 -32.567 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.768 -20.238 -30.862 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.135 -19.879 -30.336 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.478 -23.800 -29.636 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.688 -23.551 -31.211 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.951 -22.424 -30.661 1.00 0.00 H new ATOM 1468 N LYS A 98 3.430 -17.532 -32.615 1.00 0.00 N ATOM 1469 CA LYS A 98 2.557 -16.460 -32.135 1.00 0.00 C ATOM 1470 C LYS A 98 2.757 -15.200 -32.972 1.00 0.00 C ATOM 1471 O LYS A 98 3.876 -14.893 -33.373 1.00 0.00 O ATOM 1472 CB LYS A 98 2.846 -16.196 -30.656 1.00 0.00 C ATOM 1473 CG LYS A 98 1.805 -15.264 -30.027 1.00 0.00 C ATOM 1474 CD LYS A 98 2.056 -15.165 -28.519 1.00 0.00 C ATOM 1475 CE LYS A 98 1.012 -14.290 -27.822 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.345 -14.857 -27.958 1.00 0.00 N ATOM 0 H LYS A 98 4.296 -17.202 -33.041 1.00 0.00 H new ATOM 0 HA LYS A 98 1.515 -16.762 -32.238 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.860 -17.142 -30.115 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.837 -15.755 -30.553 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.864 -14.275 -30.482 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.800 -15.643 -30.216 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.042 -16.164 -28.083 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.050 -14.754 -28.343 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.263 -14.193 -26.766 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.033 -13.287 -28.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.991 -14.374 -27.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.680 -14.725 -28.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.321 -15.872 -27.735 1.00 0.00 H new ATOM 1490 N ARG A 99 1.672 -14.468 -33.241 1.00 0.00 N ATOM 1491 CA ARG A 99 1.731 -13.291 -34.099 1.00 0.00 C ATOM 1492 C ARG A 99 2.155 -12.058 -33.313 1.00 0.00 C ATOM 1493 O ARG A 99 1.795 -11.920 -32.148 1.00 0.00 O ATOM 1494 CB ARG A 99 0.381 -13.062 -34.778 1.00 0.00 C ATOM 1495 CG ARG A 99 0.054 -14.204 -35.743 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.291 -13.939 -36.415 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.611 -14.988 -37.387 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.381 -14.902 -38.701 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.802 -13.826 -39.230 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.730 -15.908 -39.504 1.00 0.00 N ATOM 0 H ARG A 99 0.743 -14.674 -32.874 1.00 0.00 H new ATOM 0 HA ARG A 99 2.482 -13.468 -34.868 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.401 -12.983 -34.023 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.398 -12.116 -35.320 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.837 -14.292 -36.496 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.022 -15.151 -35.204 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.075 -13.888 -35.659 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.267 -12.971 -36.915 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.040 -15.844 -37.036 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.526 -13.049 -38.630 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.635 -13.779 -40.235 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.172 -16.741 -39.115 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.555 -15.844 -40.507 1.00 0.00 H new ATOM 1514 N LEU A 100 2.913 -11.159 -33.946 1.00 0.00 N ATOM 1515 CA LEU A 100 3.359 -9.926 -33.314 1.00 0.00 C ATOM 1516 C LEU A 100 2.207 -8.948 -33.114 1.00 0.00 C ATOM 1517 O LEU A 100 1.436 -8.698 -34.038 1.00 0.00 O ATOM 1518 CB LEU A 100 4.452 -9.265 -34.158 1.00 0.00 C ATOM 1519 CG LEU A 100 5.684 -10.158 -34.318 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.736 -9.402 -35.126 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.277 -10.516 -32.956 1.00 0.00 C ATOM 0 H LEU A 100 3.231 -11.270 -34.909 1.00 0.00 H new ATOM 0 HA LEU A 100 3.759 -10.186 -32.334 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.051 -9.023 -35.142 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.746 -8.324 -33.694 1.00 0.00 H new ATOM 0 HG LEU A 100 5.388 -11.076 -34.825 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.620 -10.028 -35.248 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.331 -9.152 -36.107 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.009 -8.486 -34.602 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.152 -11.151 -33.096 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.570 -9.604 -32.436 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.533 -11.048 -32.364 1.00 0.00 H new ATOM 1533 N LYS A 101 2.092 -8.391 -31.904 1.00 0.00 N ATOM 1534 CA LYS A 101 1.173 -7.292 -31.638 1.00 0.00 C ATOM 1535 C LYS A 101 1.928 -5.984 -31.860 1.00 0.00 C ATOM 1536 O LYS A 101 3.084 -5.870 -31.458 1.00 0.00 O ATOM 1537 CB LYS A 101 0.636 -7.407 -30.205 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.423 -6.339 -29.906 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.585 -6.109 -28.398 1.00 0.00 C ATOM 1540 CE LYS A 101 -0.857 -7.389 -27.608 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.180 -7.966 -27.925 1.00 0.00 N ATOM 0 H LYS A 101 2.631 -8.690 -31.091 1.00 0.00 H new ATOM 0 HA LYS A 101 0.314 -7.323 -32.309 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.205 -8.397 -30.057 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.461 -7.309 -29.499 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.143 -5.403 -30.389 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.379 -6.644 -30.333 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.319 -5.639 -28.012 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.404 -5.409 -28.232 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.080 -8.122 -27.827 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.801 -7.175 -26.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.324 -8.832 -27.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.924 -7.277 -27.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.225 -8.195 -28.938 1.00 0.00 H new ATOM 1555 N VAL A 102 1.287 -4.996 -32.489 1.00 0.00 N ATOM 1556 CA VAL A 102 1.882 -3.680 -32.680 1.00 0.00 C ATOM 1557 C VAL A 102 0.842 -2.617 -32.339 1.00 0.00 C ATOM 1558 O VAL A 102 -0.321 -2.755 -32.721 1.00 0.00 O ATOM 1559 CB VAL A 102 2.410 -3.535 -34.111 1.00 0.00 C ATOM 1560 CG1 VAL A 102 2.998 -2.147 -34.356 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.490 -4.577 -34.405 1.00 0.00 C ATOM 0 H VAL A 102 0.348 -5.089 -32.876 1.00 0.00 H new ATOM 0 HA VAL A 102 2.737 -3.552 -32.016 1.00 0.00 H new ATOM 0 HB VAL A 102 1.558 -3.687 -34.774 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.362 -2.082 -35.381 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.228 -1.392 -34.196 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.824 -1.975 -33.666 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.848 -4.452 -35.427 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.321 -4.446 -33.711 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.073 -5.577 -34.286 1.00 0.00 H new ATOM 1571 N GLN A 103 1.241 -1.558 -31.624 1.00 0.00 N ATOM 1572 CA GLN A 103 0.293 -0.561 -31.151 1.00 0.00 C ATOM 1573 C GLN A 103 0.963 0.791 -30.921 1.00 0.00 C ATOM 1574 O GLN A 103 2.183 0.869 -30.789 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.339 -1.083 -29.855 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.485 -0.188 -29.371 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.403 -0.904 -28.382 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -1.922 -1.962 -27.737 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -3.546 -0.500 -28.192 1.00 0.00 N flip ATOM 0 H GLN A 103 2.211 -1.376 -31.365 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.474 -0.403 -31.909 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.713 -2.094 -30.016 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.424 -1.145 -29.079 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.072 0.704 -28.900 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.069 0.146 -30.229 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.890 0.315 -28.700 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.152 -0.979 -27.526 1.00 0.00 H new ATOM 1588 N LEU A 104 0.166 1.862 -30.874 1.00 0.00 N ATOM 1589 CA LEU A 104 0.648 3.207 -30.597 1.00 0.00 C ATOM 1590 C LEU A 104 0.979 3.368 -29.109 1.00 0.00 C ATOM 1591 O LEU A 104 0.450 2.651 -28.260 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.438 4.206 -31.018 1.00 0.00 C ATOM 1593 CG LEU A 104 0.087 5.230 -32.020 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.087 6.034 -32.578 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.052 6.202 -31.347 1.00 0.00 C ATOM 0 H LEU A 104 -0.841 1.813 -31.029 1.00 0.00 H new ATOM 0 HA LEU A 104 1.563 3.394 -31.159 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.277 3.666 -31.457 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.817 4.723 -30.136 1.00 0.00 H new ATOM 0 HG LEU A 104 0.608 4.696 -32.815 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.718 6.767 -33.295 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.785 5.361 -33.075 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.596 6.548 -31.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.413 6.923 -32.081 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.537 6.729 -30.544 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.896 5.650 -30.935 1.00 0.00 H new ATOM 1607 N LYS A 105 1.859 4.325 -28.792 1.00 0.00 N ATOM 1608 CA LYS A 105 2.183 4.694 -27.423 1.00 0.00 C ATOM 1609 C LYS A 105 0.962 5.336 -26.764 1.00 0.00 C ATOM 1610 O LYS A 105 0.110 5.893 -27.460 1.00 0.00 O ATOM 1611 CB LYS A 105 3.379 5.652 -27.452 1.00 0.00 C ATOM 1612 CG LYS A 105 3.818 6.104 -26.057 1.00 0.00 C ATOM 1613 CD LYS A 105 5.052 6.996 -26.176 1.00 0.00 C ATOM 1614 CE LYS A 105 5.491 7.463 -24.790 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.628 8.394 -24.876 1.00 0.00 N ATOM 0 H LYS A 105 2.367 4.866 -29.491 1.00 0.00 H new ATOM 0 HA LYS A 105 2.451 3.816 -26.836 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.217 5.163 -27.950 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.121 6.528 -28.047 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.009 6.647 -25.568 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.041 5.237 -25.436 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.862 6.449 -26.658 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.830 7.857 -26.806 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.656 7.950 -24.286 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.769 6.601 -24.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.969 8.615 -23.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.395 7.955 -25.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.324 9.271 -25.346 1.00 0.00 H new